*HEADER   MERCURY DETOXIFICATION                  07-MAR-97   1AFJ    
*TITLE    STRUCTURE OF THE MERCURY-BOUND FORM OF MERP, THE            
*TITLE   2 PERIPLASMIC PROTEIN FROM THE BACTERIAL MERCURY             
*TITLE   3 DETOXIFICATION SYSTEM, NMR, 20 STRUCTURES                  
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: MERP;                                            
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: ENTIRE PROTEIN;                                  
*COMPND  5 SYNONYM: MERCURIC TRANSPORT PROTEIN;                       
*COMPND  6 ENGINEERED: MERP GENE AMPLIFIED USING PCR;                 
*COMPND  7 BIOLOGICAL_UNIT: MONOMER;                                  
*COMPND  8 OTHER_DETAILS: THE PROTEIN STUDIED EXCLUDES THE PRECURSOR  
*COMPND  9 SIGNAL SEQUENCE. THIS IS THE NATIVE FORM OF THE PROTEIN    
*COMPND 10 AFTER CELL PROCESSING.                                     
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI;                    
*SOURCE  3 CELLULAR_LOCATION: PERIPLASM;                              
*SOURCE  4 PLASMID: R100 (NR1);                                       
*SOURCE  5 GENE: MERP;                                                
*SOURCE  6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  7 EXPRESSION_SYSTEM_STRAIN: BL21;                            
*SOURCE  8 EXPRESSION_SYSTEM_VARIANT: DE3;                            
*SOURCE  9 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;            
*SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: MALTOSE BINDING PROTEIN     
*SOURCE 11 FUSION SYSTEM;                                             
*SOURCE 12 EXPRESSION_SYSTEM_VECTOR: MALTOSE BINDING PROTEIN FUSION   
*SOURCE 13 PROTEIN (PMAL-C2);                                         
*SOURCE 14 EXPRESSION_SYSTEM_PLASMID: PSSS;                           
*SOURCE 15 EXPRESSION_SYSTEM_GENE: MERP;                              
*SOURCE 16 OTHER_DETAILS: MER GENES LOCATED ON TRANSPOSON TN21        
*KEYWDS   MERCURY DETOXIFICATION, PERIPLASMIC, HEAVY METAL TRANSPORT, 
*KEYWDS  2 ALPHA-BETA SANDWICH                                        
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   R.A.STEELE,S.J.OPELLA                                       
*REVDAT  1   23-JUL-97 1AFJ    0                                      


assign (resid   48  and name HA    ) (resid    2  and name HA    )   2.47  0.57  0.23
assign (resid    1  and name HA    ) (resid    2  and name HN    )   2.31  0.41  0.39
assign (resid    1  and name HB+   ) (resid    2  and name HN    )   2.87  0.97  1.43
assign (resid    2  and name HA    ) (resid    2  and name HN    )   2.76  0.86  0.54
assign (resid    2  and name HB    ) (resid    2  and name HN    )   2.94  1.04  0.36
assign (resid    2  and name HG2+  ) (resid    2  and name HN    )   2.79  0.89  1.51
assign (resid    3  and name HG+   ) (resid    2  and name HN    )   3.89  1.99  2.11
assign (resid    3  and name HN    ) (resid    2  and name HN    )   3.00  1.10  0.30

assign (resid    2  and name HA    ) (resid    3  and name HN    )   2.37  0.47  0.33
assign (resid    2  and name HB    ) (resid    3  and name HN    )   2.77  0.87  2.23 
assign (resid    2  and name HN    ) (resid    3  and name HN    )   3.21  1.31  0.09
assign (resid    3  and name HA    ) (resid    3  and name HN    )   2.96  1.06  0.34  
assign (resid    3  and name HB+   ) (resid    3  and name HN    )   2.71  0.81  1.19
assign (resid    3  and name HB+   ) (resid    3  and name HN    )   3.12  1.22  0.78
assign (resid    3  and name HG+   ) (resid    3  and name HN    )   3.06  1.16  1.24
assign (resid   46  and name HA    ) (resid    3  and name HN    )   3.54  1.64  1.46
assign (resid   46  and name HG2+  ) (resid    3  and name HN    )   3.31  1.41  2.69
assign (resid   47  and name HA    ) (resid    3  and name HN    )   4.42  2.52  0.58
assign (resid   47  and name HD2   ) (resid    3  and name HN    )   4.15  2.25  0.85 
assign (resid   47  and name HN    ) (resid    3  and name HN    )   2.93  1.03  0.37
assign (resid   49  and name HB+   ) (resid    3  and name HN    )   4.20  2.30  1.80
assign (resid   49  and name HN    ) (resid    3  and name HN    )   3.81  1.91  1.19

assign (resid   46  and name HA    ) (resid    4  and name HA    )   2.04  0.14  0.66
assign (resid   46  and name HG2+  ) (resid    4  and name HA    )   2.58  0.68  2.72 
assign (resid   47  and name HD1   ) (resid    4  and name HA    )   3.18  1.28  0.12 
assign (resid   47  and name HE1   ) (resid    4  and name HA    )   3.31  1.41  1.69 
assign (resid    3  and name HA    ) (resid    4  and name HN    )   2.44  0.54  0.26
assign (resid    3  and name HB+   ) (resid    4  and name HN    )   3.15  1.25  1.15
assign (resid    3  and name HB+   ) (resid    4  and name HN    )   3.34  1.44  2.66
assign (resid    3  and name HG+   ) (resid    4  and name HN    )   3.36  1.46  2.64
assign (resid    3  and name HN    ) (resid    4  and name HN    )   3.71  1.81  1.29
assign (resid    4  and name HA    ) (resid    4  and name HN    )   3.20  1.30  0.10
assign (resid    4  and name HB    ) (resid    4  and name HN    )   2.91  1.01  0.39
assign (resid    4  and name HG2+  ) (resid    4  and name HN    )   3.34  1.44  2.66
assign (resid    5  and name HN    ) (resid    4  and name HN    )   3.93  2.03  1.07

assign (resid    4  and name HA    ) (resid    5  and name HN    )   2.30  0.40  0.40
assign (resid    4  and name HB    ) (resid    5  and name HN    )   3.47  1.57  1.53
assign (resid    4  and name HN    ) (resid    5  and name HN    )   3.88  1.98  1.12
assign (resid    5  and name HA    ) (resid    5  and name HN    )   2.90  1.00  0.40
assign (resid    5  and name HB    ) (resid    5  and name HN    )   3.25  1.35  1.75 
assign (resid    5  and name HG*   ) (resid    5  and name HN    )   2.46  0.56  1.94
assign (resid    6  and name HA    ) (resid    5  and name HN    )   4.12  2.22  0.88
assign (resid    6  and name HN    ) (resid    5  and name HN    )   3.84  1.94  1.16
assign (resid   44  and name HG*   ) (resid    5  and name HN    )   3.48  1.58  3.92
assign (resid   45  and name HB    ) (resid    5  and name HN    )   3.40  1.50  1.60
assign (resid   45  and name HN    ) (resid    5  and name HN    )   3.01  1.11  0.29
assign (resid   47  and name HD1   ) (resid    5  and name HN    )   3.80  1.90  1.20 
assign (resid   47  and name HE1   ) (resid    5  and name HN    )   3.53  1.63  1.47 
assign (resid   57  and name HD1+  ) (resid    5  and name HN    )   4.50  2.60  1.50 

assign (resid   44  and name HA    ) (resid    6  and name HA    )   2.38  0.48  0.32
assign (resid    5  and name HA    ) (resid    6  and name HN    )   2.36  0.46  0.34
assign (resid    5  and name HB    ) (resid    6  and name HN    )   2.90  1.00  0.40
assign (resid    5  and name HN    ) (resid    6  and name HN    )   3.86  1.96  1.14
assign (resid    6  and name HA    ) (resid    6  and name HN    )   3.12  1.22  0.18
assign (resid    6  and name HB    ) (resid    6  and name HN    )   2.75  0.85  0.55
assign (resid    6  and name HG2+  ) (resid    6  and name HN    )   2.65  0.75  1.05
assign (resid    7  and name HD1+  ) (resid    6  and name HN    )   4.21  2.31  1.79 
assign (resid    7  and name HN    ) (resid    6  and name HN    )   4.12  2.22  0.88
assign (resid   44  and name HG*   ) (resid    6  and name HN    )   4.23  2.33  3.17
assign (resid   45  and name HN    ) (resid    6  and name HN    )   4.12  2.22  0.88
assign (resid   71  and name HB+   ) (resid    6  and name HN    )   4.18  2.28  1.82
assign (resid   71  and name HN    ) (resid    6  and name HN    )   3.72  1.82  1.28

assign (resid   70  and name HA    ) (resid    7  and name HA    )   2.25  0.35  0.45
assign (resid   57  and name HD1+  ) (resid    7  and name HD1+  )   2.73  0.83  2.57 
assign (resid   57  and name HD1+  ) (resid    7  and name HD2+  )   2.50  0.60  2.80 
assign (resid    6  and name HA    ) (resid    7  and name HN    )   2.49  0.59  0.21
assign (resid    6  and name HB    ) (resid    7  and name HN    )   3.78  1.88  1.22
assign (resid    6  and name HG2+  ) (resid    7  and name HN    )   2.78  0.88  1.52
assign (resid    6  and name HN    ) (resid    7  and name HN    )   4.21  2.31  0.79
assign (resid    7  and name HB+   ) (resid    7  and name HN    )   3.06  1.16  0.84
assign (resid    7  and name HB+   ) (resid    7  and name HN    )   3.05  1.15  0.85
assign (resid    7  and name HD1+  ) (resid    7  and name HN    )   3.64  1.74  2.36 
assign (resid    7  and name HD2+  ) (resid    7  and name HN    )   3.47  1.57  2.53 
assign (resid    7  and name HG    ) (resid    7  and name HN    )   3.44  1.54  1.56
assign (resid   42  and name HA    ) (resid    7  and name HN    )   3.96  2.06  1.04
assign (resid   42  and name HG+   ) (resid    7  and name HN    )   4.48  2.58  1.52
assign (resid   43  and name HN    ) (resid    7  and name HN    )   3.28  1.38  0.02
assign (resid   44  and name HA    ) (resid    7  and name HN    )   3.35  1.45  1.65
assign (resid   44  and name HB    ) (resid    7  and name HN    )   4.37  2.47  0.63
assign (resid   44  and name HG*   ) (resid    7  and name HN    )   3.84  1.94  3.56

assign (resid    7  and name HA    ) (resid    8  and name HN    )   2.42  0.52  0.28
assign (resid    7  and name HB+   ) (resid    8  and name HN    )   3.39  1.49  2.61
assign (resid    7  and name HD1+  ) (resid    8  and name HN    )   3.19  1.29  1.11 
assign (resid    7  and name HD2+  ) (resid    8  and name HN    )   3.56  1.66  2.44 
assign (resid    7  and name HG    ) (resid    8  and name HN    )   3.25  1.35  0.05
assign (resid    7  and name HN    ) (resid    8  and name HN    )   3.91  2.01  1.09
assign (resid    8  and name HA    ) (resid    8  and name HN    )   3.10  1.20  0.20
assign (resid    8  and name HB+   ) (resid    8  and name HN    )   2.52  0.62  0.78
assign (resid   68  and name HA    ) (resid    8  and name HN    )   3.80  1.90  1.20
assign (resid   68  and name HB+   ) (resid    8  and name HN    )   3.65  1.75  2.35
assign (resid   68  and name HB+   ) (resid    8  and name HN    )   4.32  2.42  1.68
assign (resid   69  and name HN    ) (resid    8  and name HN    )   3.03  1.13  0.27
assign (resid   70  and name HA    ) (resid    8  and name HN    )   3.20  1.30  0.10
assign (resid   70  and name HB    ) (resid    8  and name HN    )   4.40  2.50  0.60 
assign (resid   70  and name HG*   ) (resid    8  and name HN    )   3.50  1.60  3.90
assign (resid   71  and name HN    ) (resid    8  and name HN    )   3.52  1.62  1.48

assign (resid   68  and name HA    ) (resid    9  and name HA    )   2.66  0.76  0.04
assign (resid   66  and name HD+   ) (resid    9  and name HG*   )   2.74  0.84  4.96 
assign (resid    8  and name HA    ) (resid    9  and name HN    )   2.35  0.45  0.35
assign (resid    8  and name HB+   ) (resid    9  and name HN    )   2.89  0.99  1.41
assign (resid    8  and name HN    ) (resid    9  and name HN    )   3.96  2.06  1.04
assign (resid    9  and name HA    ) (resid    9  and name HN    )   3.23  1.33  0.07
assign (resid    9  and name HB    ) (resid    9  and name HN    )   2.95  1.05  0.35
assign (resid    9  and name HG*   ) (resid    9  and name HN    )   2.87  0.97  2.13
assign (resid    9  and name HG*   ) (resid    9  and name HN    )   3.47  1.57  3.23
assign (resid   41  and name HB+   ) (resid    9  and name HN    )   3.58  1.68  2.42
assign (resid   41  and name HD+   ) (resid    9  and name HN    )   3.54  1.64  2.46
assign (resid   42  and name HA    ) (resid    9  and name HN    )   2.92  1.02  0.38
assign (resid   42  and name HB+   ) (resid    9  and name HN    )   3.73  1.83  2.27
assign (resid   43  and name HB+   ) (resid    9  and name HN    )   3.89  1.99  2.11
assign (resid   43  and name HN    ) (resid    9  and name HN    )   3.75  1.85  1.25
assign (resid    9  and name HA    ) (resid   11  and name HN    )   3.54  1.64  1.46
assign (resid    9  and name HG*   ) (resid   11  and name HN    )   3.41  1.51  3.99
assign (resid    9  and name HG*   ) (resid   11  and name HN    )   4.44  2.54  2.96
assign (resid   11  and name HA+   ) (resid   11  and name HN    )   2.69  0.79  1.01
assign (resid   11  and name HA+   ) (resid   11  and name HN    )   2.81  0.91  1.49
assign (resid   12  and name HG+   ) (resid   11  and name HN    )   4.59  2.69  1.41
assign (resid   12  and name HN    ) (resid   11  and name HN    )   3.33  1.43  1.67
assign (resid   41  and name HD+   ) (resid   11  and name HN    )   3.67  1.77  2.33
assign (resid   66  and name HD1   ) (resid   11  and name HN    )   4.04  2.14  0.96
assign (resid   12  and name HB+   ) (resid   12  and name HA    )   2.91  1.01  1.39
assign (resid   12  and name HG+   ) (resid   12  and name HA    )   2.90  1.00  1.40
assign (resid   66  and name HD1   ) (resid   12  and name HA    )   2.77  0.87  2.23 
assign (resid   12  and name HG+   ) (resid   12  and name HB+   )   3.05  1.15  3.25
assign (resid   12  and name HB+   ) (resid   12  and name HE+   )   2.54  0.64  2.16
assign (resid    9  and name HG*   ) (resid   12  and name HN    )   3.24  1.34  2.46
assign (resid    9  and name HG*   ) (resid   12  and name HN    )   4.12  2.22  3.28
assign (resid   11  and name HA+   ) (resid   12  and name HN    )   3.31  1.41  2.69
assign (resid   11  and name HA+   ) (resid   12  and name HN    )   3.44  1.54  2.56
assign (resid   11  and name HN    ) (resid   12  and name HN    )   3.26  1.36  0.04
assign (resid   12  and name HA    ) (resid   12  and name HN    )   3.11  1.21  0.19
assign (resid   12  and name HB+   ) (resid   12  and name HN    )   2.95  1.05  1.35
assign (resid   12  and name HB+   ) (resid   12  and name HN    )   3.08  1.18  0.82
assign (resid   12  and name HG+   ) (resid   12  and name HN    )   2.84  0.94  1.46
assign (resid   13  and name HB    ) (resid   12  and name HN    )   4.14  2.24  0.86
assign (resid   13  and name HG2+  ) (resid   12  and name HN    )   4.12  2.22  1.88
assign (resid   13  and name HN    ) (resid   12  and name HN    )   3.98  2.08  1.02
assign (resid   17  and name HB+   ) (resid   12  and name HN    )   4.49  2.59  1.51
assign (resid   21  and name HG*   ) (resid   12  and name HN    )   4.22  2.32  3.18
assign (resid   41  and name HB+   ) (resid   12  and name HN    )   3.33  1.43  2.67
assign (resid   41  and name HD+   ) (resid   12  and name HN    )   3.92  2.02  2.08
assign (resid   41  and name HD+   ) (resid   12  and name HN    )   3.76  1.86  2.24
assign (resid   66  and name HD1   ) (resid   12  and name HN    )   4.02  2.12  0.98
assign (resid   12  and name HB+   ) (resid   13  and name HN    )   3.81  1.91  2.19
assign (resid   12  and name HB+   ) (resid   13  and name HN    )   3.76  1.86  2.24
assign (resid   12  and name HE+   ) (resid   13  and name HN    )   3.48  1.58  2.52
assign (resid   12  and name HG+   ) (resid   13  and name HN    )   4.27  2.37  1.73
assign (resid   12  and name HN    ) (resid   13  and name HN    )   3.80  1.90  1.20
assign (resid   13  and name HB    ) (resid   13  and name HN    )   3.55  1.65  1.45
assign (resid   13  and name HG2+  ) (resid   13  and name HN    )   2.82  0.92  1.48
assign (resid   14  and name HN    ) (resid   13  and name HN    )   3.44  1.54  1.56
assign (resid   17  and name HB+   ) (resid   13  and name HN    )   3.81  1.91  2.19
assign (resid   41  and name HB+   ) (resid   13  and name HN    )   4.69  2.79  1.31
assign (resid   12  and name HE+   ) (resid   14  and name HN    )   4.26  2.36  1.74
assign (resid   13  and name HA    ) (resid   14  and name HN    )   3.36  1.46  1.64
assign (resid   13  and name HB    ) (resid   14  and name HN    )   3.92  2.02  1.08
assign (resid   13  and name HG2+  ) (resid   14  and name HN    )   4.13  2.23  1.87
assign (resid   13  and name HN    ) (resid   14  and name HN    )   3.49  1.59  1.51
assign (resid   14  and name HB+   ) (resid   14  and name HN    )   3.96  2.06  1.64
assign (resid   17  and name HB+   ) (resid   14  and name HN    )   4.28  2.38  1.72
assign (resid   17  and name HN    ) (resid   14  and name HN    )   4.21  2.31  0.79
assign (resid   19  and name HN    ) (resid   14  and name HN    )   3.79  1.89  1.21
assign (resid   14  and name HB+   ) (resid   16  and name HN    )   3.57  1.67  2.43
assign (resid   16  and name HA    ) (resid   16  and name HN    )   2.71  0.81  0.59
assign (resid   17  and name HB+   ) (resid   16  and name HN    )   3.43  1.53  2.57
assign (resid   17  and name HN    ) (resid   16  and name HN    )   2.68  0.78  0.02
assign (resid   19  and name HD1+  ) (resid   16  and name HN    )   4.39  2.49  1.61
assign (resid   19  and name HG2+  ) (resid   16  and name HN    )   4.39  2.49  1.61
assign (resid   19  and name HN    ) (resid   16  and name HN    )   4.24  2.34  0.76
assign (resid   16  and name HB+   ) (resid   17  and name HN    )   3.14  1.24  1.16
assign (resid   16  and name HN    ) (resid   17  and name HN    )   2.69  0.79  0.01
assign (resid   17  and name HA    ) (resid   17  and name HN    )   3.05  1.15  0.25
assign (resid   17  and name HB+   ) (resid   17  and name HN    )   2.60  0.70  1.10
assign (resid   17  and name HB+   ) (resid   17  and name HN    )   3.32  1.42  2.28
assign (resid   19  and name HN    ) (resid   17  and name HN    )   3.80  1.90  1.20
assign (resid   22  and name HB+   ) (resid   19  and name HA    )   2.52  0.62  1.18
assign (resid   17  and name HB+   ) (resid   19  and name HN    )   4.09  2.19  1.91
assign (resid   17  and name HN    ) (resid   19  and name HN    )   4.01  2.11  0.99
assign (resid   19  and name HA    ) (resid   19  and name HN    )   2.81  0.91  0.49
assign (resid   19  and name HB    ) (resid   19  and name HN    )   2.65  0.75  0.65  
assign (resid   19  and name HG1+  ) (resid   19  and name HN    )   3.25  1.35  1.05
assign (resid   19  and name HG1+  ) (resid   19  and name HN    )   2.94  1.04  1.36
assign (resid   20  and name HB    ) (resid   19  and name HN    )   4.03  2.13  0.97
assign (resid   20  and name HN    ) (resid   19  and name HN    )   2.90  1.00  0.40
assign (resid   21  and name HN    ) (resid   19  and name HN    )   3.97  2.07  1.03
assign (resid   22  and name HN    ) (resid   19  and name HN    )   4.38  2.48  0.62
assign (resid   23  and name HB+   ) (resid   20  and name HA    )   2.41  0.51  1.29
assign (resid   17  and name HA    ) (resid   20  and name HB    )   2.53  0.63  0.17
assign (resid   66  and name HD2   ) (resid   20  and name HB    )   2.95  1.05  0.35 
assign (resid   17  and name HA    ) (resid   20  and name HN    )   3.35  1.45  1.65
assign (resid   17  and name HN    ) (resid   20  and name HN    )   4.43  2.53  0.57
assign (resid   19  and name HB    ) (resid   20  and name HN    )   2.84  0.94  0.46
assign (resid   19  and name HG1+  ) (resid   20  and name HN    )   3.78  1.88  2.22
assign (resid   19  and name HG1+  ) (resid   20  and name HN    )   4.01  2.11  1.99
assign (resid   19  and name HN    ) (resid   20  and name HN    )   2.83  0.93  0.47
assign (resid   20  and name HA    ) (resid   20  and name HN    )   2.86  0.96  0.44
assign (resid   20  and name HB    ) (resid   20  and name HN    )   2.66  0.76  0.04
assign (resid   20  and name HG2+  ) (resid   20  and name HN    )   3.22  1.32  1.08
assign (resid   21  and name HA    ) (resid   20  and name HN    )   4.22  2.32  0.78
assign (resid   21  and name HG*   ) (resid   20  and name HN    )   4.48  2.58  2.92
assign (resid   21  and name HG*   ) (resid   20  and name HN    )   3.67  1.77  3.73
assign (resid   21  and name HN    ) (resid   20  and name HN    )   2.81  0.91  0.49
assign (resid   22  and name HN    ) (resid   20  and name HN    )   3.84  1.94  1.16
assign (resid   23  and name HN    ) (resid   20  and name HN    )   4.24  2.34  0.76
assign (resid   24  and name HB+   ) (resid   21  and name HA    )   2.35  0.45  1.35
assign (resid   66  and name HD2   ) (resid   21  and name HG*   )   2.62  0.72  2.48 
assign (resid   66  and name HD2   ) (resid   21  and name HG*   )   3.34  1.44  4.06 
assign (resid   17  and name HA    ) (resid   21  and name HN    )   4.19  2.29  0.81
assign (resid   19  and name HB    ) (resid   21  and name HN    )   3.72  1.82  1.28
assign (resid   19  and name HG2+  ) (resid   21  and name HN    )   4.20  2.30  1.80
assign (resid   19  and name HN    ) (resid   21  and name HN    )   4.41  2.51  0.59
assign (resid   20  and name HA    ) (resid   21  and name HN    )   3.63  1.73  1.37
assign (resid   20  and name HB    ) (resid   21  and name HN    )   2.88  0.98  0.42
assign (resid   20  and name HG2+  ) (resid   21  and name HN    )   3.43  1.53  2.57
assign (resid   20  and name HN    ) (resid   21  and name HN    )   2.96  1.06  0.34
assign (resid   21  and name HA    ) (resid   21  and name HN    )   3.05  1.15  0.25
assign (resid   21  and name HB    ) (resid   21  and name HN    )   2.67  0.77  0.03
assign (resid   21  and name HG*   ) (resid   21  and name HN    )   2.73  0.83  2.27
assign (resid   21  and name HG*   ) (resid   21  and name HN    )   3.25  1.35  1.75
assign (resid   22  and name HA    ) (resid   21  and name HN    )   4.25  2.35  0.75
assign (resid   22  and name HN    ) (resid   21  and name HN    )   2.90  1.00  0.40
assign (resid   23  and name HN    ) (resid   21  and name HN    )   4.06  2.16  0.94
assign (resid   25  and name HB+   ) (resid   22  and name HA    )   2.67  0.77  1.63 
assign (resid   22  and name HA    ) (resid   22  and name HB+   )   2.59  0.69  0.11
assign (resid   19  and name HA    ) (resid   22  and name HN    )   3.36  1.46  1.64
assign (resid   19  and name HG1+  ) (resid   22  and name HN    )   3.68  1.78  2.32
assign (resid   19  and name HG2+  ) (resid   22  and name HN    )   4.15  2.25  1.85
assign (resid   20  and name HB    ) (resid   22  and name HN    )   4.24  2.34  0.76
assign (resid   20  and name HN    ) (resid   22  and name HN    )   4.09  2.19  0.91
assign (resid   21  and name HA    ) (resid   22  and name HN    )   3.57  1.67  1.43
assign (resid   21  and name HB    ) (resid   22  and name HN    )   2.81  0.91  0.49
assign (resid   21  and name HG*   ) (resid   22  and name HN    )   3.41  1.51  3.99
assign (resid   21  and name HN    ) (resid   22  and name HN    )   2.89  0.99  0.41
assign (resid   22  and name HA    ) (resid   22  and name HN    )   2.92  1.02  0.38
assign (resid   22  and name HB+   ) (resid   22  and name HN    )   2.72  0.82  1.18
assign (resid   23  and name HA    ) (resid   22  and name HN    )   3.49  1.59  1.51
assign (resid   23  and name HN    ) (resid   22  and name HN    )   2.97  1.07  0.33
assign (resid   24  and name HN    ) (resid   22  and name HN    )   4.11  2.21  0.89
assign (resid   36  and name HG*   ) (resid   22  and name HN    )   2.92  1.02  2.78 

assign (resid   19  and name HG2+  ) (resid   23  and name HN    )   4.04  2.14  1.96
assign (resid   21  and name HA    ) (resid   23  and name HN    )   4.29  2.39  0.71
assign (resid   21  and name HN    ) (resid   23  and name HN    )   4.02  2.12  0.98
assign (resid   22  and name HA    ) (resid   23  and name HN    )   3.53  1.63  1.47
assign (resid   22  and name HB+   ) (resid   23  and name HN    )   2.89  0.99  1.41
assign (resid   22  and name HN    ) (resid   23  and name HN    )   2.98  1.08  0.32
assign (resid   23  and name HA    ) (resid   23  and name HN    )   2.77  0.87  0.53
assign (resid   23  and name HB+   ) (resid   23  and name HN    )   2.53  0.63  0.77
assign (resid   23  and name HB+   ) (resid   23  and name HN    )   2.96  1.06  1.34
assign (resid   23  and name HG+   ) (resid   23  and name HN    )   3.36  1.46  2.64
assign (resid   24  and name HN    ) (resid   23  and name HN    )   2.93  1.03  0.37
assign (resid   25  and name HD*   ) (resid   23  and name HN    )   3.78  1.88  3.62

assign (resid   21  and name HA    ) (resid   24  and name HN    )   3.15  1.25  0.15
assign (resid   22  and name HA    ) (resid   24  and name HN    )   4.07  2.17  0.93
assign (resid   22  and name HN    ) (resid   24  and name HN    )   3.90  2.00  1.10
assign (resid   23  and name HA    ) (resid   24  and name HN    )   3.04  1.14  0.26
assign (resid   23  and name HB+   ) (resid   24  and name HN    )   2.64  0.74  1.66 
assign (resid   23  and name HD+   ) (resid   24  and name HN    )   3.60  1.70  2.40 
assign (resid   23  and name HN    ) (resid   24  and name HN    )   2.64  0.74  0.06
assign (resid   24  and name HA    ) (resid   24  and name HN    )   2.62  0.72  0.08
assign (resid   24  and name HB+   ) (resid   24  and name HN    )   2.33  0.43  0.97
assign (resid   25  and name HD1+  ) (resid   24  and name HN    )   3.70  1.80  2.30 
assign (resid   25  and name HG    ) (resid   24  and name HN    )   3.35  1.45  1.65 
assign (resid   25  and name HN    ) (resid   24  and name HN    )   2.69  0.79  0.61 
assign (resid   27  and name HE+   ) (resid   24  and name HN    )   4.22  2.32  1.78 

assign (resid   57  and name HD1+  ) (resid   25  and name HD2+  )   3.03  1.13  2.27 
assign (resid   21  and name HA    ) (resid   25  and name HN    )   3.90  2.00  1.10
assign (resid   22  and name HA    ) (resid   25  and name HN    )   3.54  1.64  1.46
assign (resid   23  and name HD+   ) (resid   25  and name HN    )   3.98  2.08  2.02
assign (resid   24  and name HA    ) (resid   25  and name HN    )   3.31  1.41  1.69
assign (resid   24  and name HB+   ) (resid   25  and name HN    )   2.70  0.80  1.00
assign (resid   24  and name HN    ) (resid   25  and name HN    )   2.82  0.92  0.48
assign (resid   25  and name HA    ) (resid   25  and name HN    )   2.75  0.85  0.55
assign (resid   25  and name HB+   ) (resid   25  and name HN    )   2.60  0.70  0.70
assign (resid   25  and name HB+   ) (resid   25  and name HN    )   2.82  0.92  1.48 
assign (resid   25  and name HD1+  ) (resid   25  and name HN    )   2.86  0.96  1.44 
assign (resid   25  and name HD2+  ) (resid   25  and name HN    )   3.14  1.24  1.16 
assign (resid   25  and name HG    ) (resid   25  and name HN    )   2.68  0.78  0.62 
assign (resid   26  and name HN    ) (resid   25  and name HN    )   2.70  0.80  0.60
assign (resid   27  and name HN    ) (resid   25  and name HN    )   3.86  1.96  1.14
assign (resid   45  and name HG*   ) (resid   25  and name HN    )   4.04  2.14  3.36

assign (resid   22  and name HA    ) (resid   26  and name HN    )   3.80  1.90  1.20
assign (resid   24  and name HB+   ) (resid   26  and name HN    )   3.62  1.72  2.38
assign (resid   24  and name HN    ) (resid   26  and name HN    )   3.89  1.99  1.11
assign (resid   25  and name HB+   ) (resid   26  and name HN    )   2.97  1.07  1.33
assign (resid   25  and name HB+   ) (resid   26  and name HN    )   3.27  1.37  1.03 
assign (resid   25  and name HD1+  ) (resid   26  and name HN    )   2.97  1.07  1.33 
assign (resid   25  and name HD2+  ) (resid   26  and name HN    )   3.76  1.86  2.24 
assign (resid   25  and name HG    ) (resid   26  and name HN    )   3.61  1.71  1.39 
assign (resid   25  and name HN    ) (resid   26  and name HN    )   2.76  0.86  0.54
assign (resid   27  and name HA    ) (resid   26  and name HN    )   4.14  2.24  0.86
assign (resid   27  and name HN    ) (resid   26  and name HN    )   2.85  0.95  0.45
assign (resid   28  and name HB    ) (resid   26  and name HN    )   4.41  2.51  0.59
assign (resid   28  and name HG*   ) (resid   26  and name HN    )   4.29  2.39  3.11
assign (resid   28  and name HN    ) (resid   26  and name HN    )   3.98  2.08  1.02

assign (resid   24  and name HB+   ) (resid   27  and name HN    )   3.95  2.05  2.05
assign (resid   25  and name HN    ) (resid   27  and name HN    )   3.82  1.92  1.18
assign (resid   26  and name HN    ) (resid   27  and name HN    )   2.84  0.94  0.46
assign (resid   27  and name HA    ) (resid   27  and name HN    )   2.77  0.87  0.53
assign (resid   27  and name HB+   ) (resid   27  and name HN    )   2.88  0.98  1.02
assign (resid   27  and name HD+   ) (resid   27  and name HN    )   2.63  0.73  1.07
assign (resid   27  and name HE+   ) (resid   27  and name HN    )   4.45  2.55  1.55
assign (resid   27  and name HG+   ) (resid   27  and name HN    )   2.86  0.96  1.44
assign (resid   28  and name HA    ) (resid   27  and name HN    )   3.98  2.08  1.02
assign (resid   28  and name HG*   ) (resid   27  and name HN    )   3.48  1.58  3.92
assign (resid   28  and name HG*   ) (resid   27  and name HN    )   3.44  1.54  3.96
assign (resid   28  and name HN    ) (resid   27  and name HN    )   2.65  0.75  0.05
assign (resid   60  and name HB+   ) (resid   27  and name HN    )   3.95  2.05  2.05

assign (resid   25  and name HA    ) (resid   28  and name HB    )   2.76  0.86  0.54
assign (resid   25  and name HB+   ) (resid   28  and name HN    )   4.23  2.33  1.77
assign (resid   26  and name HN    ) (resid   28  and name HN    )   4.14  2.24  0.86
assign (resid   27  and name HA    ) (resid   28  and name HN    )   3.27  1.37  0.03
assign (resid   27  and name HB+   ) (resid   28  and name HN    )   3.69  1.79  2.31
assign (resid   27  and name HD+   ) (resid   28  and name HN    )   3.42  1.52  2.58
assign (resid   27  and name HG+   ) (resid   28  and name HN    )   3.93  2.03  2.07
assign (resid   27  and name HN    ) (resid   28  and name HN    )   2.71  0.81  0.59
assign (resid   28  and name HA    ) (resid   28  and name HN    )   2.92  1.02  0.38
assign (resid   28  and name HB    ) (resid   28  and name HN    )   2.48  0.58  0.22
assign (resid   28  and name HG*   ) (resid   28  and name HN    )   2.54  0.64  1.86
assign (resid   28  and name HG*   ) (resid   28  and name HN    )   2.79  0.89  2.21
assign (resid   29  and name HN    ) (resid   28  and name HN    )   3.65  1.75  1.35
assign (resid   31  and name HN    ) (resid   28  and name HN    )   4.11  2.21  0.89
assign (resid   57  and name HD2+  ) (resid   28  and name HN    )   4.06  2.16  1.94 
assign (resid   60  and name HB+   ) (resid   28  and name HN    )   3.72  1.82  2.28

assign (resid   27  and name HA    ) (resid   29  and name HN    )   4.46  2.56  0.54
assign (resid   27  and name HD+   ) (resid   29  and name HN    )   4.19  2.29  1.81
assign (resid   28  and name HA    ) (resid   29  and name HN    )   2.17  0.27  2.83 
assign (resid   28  and name HG*   ) (resid   29  and name HN    )   2.66  0.76  2.44
assign (resid   28  and name HG*   ) (resid   29  and name HN    )   3.00  1.10  2.70
assign (resid   28  and name HN    ) (resid   29  and name HN    )   3.54  1.64  1.46
assign (resid   29  and name HA    ) (resid   29  and name HN    )   2.72  0.82  0.58
assign (resid   29  and name HB+   ) (resid   29  and name HN    )   2.38  0.48  1.32
assign (resid   29  and name HG+   ) (resid   29  and name HN    )   3.14  1.24  1.16
assign (resid   29  and name HG+   ) (resid   29  and name HN    )   3.29  1.39  0.94
assign (resid   31  and name HN    ) (resid   29  and name HN    )   4.28  2.38  0.72
assign (resid   52  and name HB+   ) (resid   29  and name HN    )   3.96  2.06  2.04
assign (resid   57  and name HD2+  ) (resid   29  and name HN    )   4.69  2.79  1.31 

assign (resid   29  and name HB+   ) (resid   30  and name HN    )   3.18  1.28  1.12
assign (resid   29  and name HG+   ) (resid   30  and name HN    )   3.27  1.37  1.03
assign (resid   29  and name HG+   ) (resid   30  and name HN    )   3.41  1.51  2.59
assign (resid   30  and name HA1   ) (resid   30  and name HN    )   2.71  0.81  0.59 
assign (resid   30  and name HA2   ) (resid   30  and name HN    )   2.89  0.99  0.41 
assign (resid   31  and name HG*   ) (resid   30  and name HN    )   3.63  1.73  3.77
assign (resid   31  and name HN    ) (resid   30  and name HN    )   2.81  0.91  0.49
assign (resid   51  and name HB+   ) (resid   30  and name HN    )   3.98  2.08  2.02
assign (resid   51  and name HE+   ) (resid   30  and name HN    )   4.59  2.69  1.41
assign (resid   52  and name HB+   ) (resid   30  and name HN    )   4.42  2.52  1.58
assign (resid   56  and name HD+   ) (resid   30  and name HN    )   4.53  2.63  1.47

assign (resid   47  and name HA    ) (resid   31  and name HA    )   2.21  0.31  0.49
assign (resid   28  and name HG*   ) (resid   31  and name HN    )   3.98  2.08  3.42
assign (resid   28  and name HN    ) (resid   31  and name HN    )   4.21  2.31  0.79 
assign (resid   29  and name HA    ) (resid   31  and name HN    )   3.07  1.17  1.93 
assign (resid   29  and name HB+   ) (resid   31  and name HN    )   4.38  2.48  1.62 
assign (resid   30  and name HA1   ) (resid   31  and name HN    )   3.26  1.36  0.04 
assign (resid   30  and name HA2   ) (resid   31  and name HN    )   3.23  1.33  0.07 
assign (resid   30  and name HN    ) (resid   31  and name HN    )   2.75  0.85  0.55
assign (resid   31  and name HA    ) (resid   31  and name HN    )   3.07  1.17  0.23
assign (resid   31  and name HB    ) (resid   31  and name HN    )   2.35  0.45  0.35
assign (resid   31  and name HG*   ) (resid   31  and name HN    )   2.45  0.55  1.95
assign (resid   32  and name HN    ) (resid   31  and name HN    )   3.85  1.95  1.15
assign (resid   45  and name HG*   ) (resid   31  and name HN    )   4.05  2.15  3.35
assign (resid   47  and name HA    ) (resid   31  and name HN    )   4.08  2.18  0.92
assign (resid   47  and name HB+   ) (resid   31  and name HN    )   4.43  2.53  1.57
assign (resid   47  and name HB+   ) (resid   31  and name HN    )   4.35  2.45  1.65
assign (resid   48  and name HN    ) (resid   31  and name HN    )   4.11  2.21  0.89
assign (resid   52  and name HB+   ) (resid   31  and name HN    )   3.80  1.90  2.20
assign (resid   57  and name HD2+  ) (resid   31  and name HN    )   4.13  2.23  1.87 

assign (resid   31  and name HA    ) (resid   32  and name HN    )   2.45  0.55  0.25
assign (resid   31  and name HB    ) (resid   32  and name HN    )   3.69  1.79  1.31
assign (resid   31  and name HG*   ) (resid   32  and name HN    )   2.64  0.74  2.46
assign (resid   31  and name HN    ) (resid   32  and name HN    )   4.05  2.15  0.95
assign (resid   32  and name HA    ) (resid   32  and name HN    )   3.04  1.14  0.26
assign (resid   32  and name HB+   ) (resid   32  and name HN    )   3.22  1.32  0.68
assign (resid   32  and name HB+   ) (resid   32  and name HN    )   3.35  1.45  2.25
assign (resid   33  and name HA    ) (resid   32  and name HN    )   4.13  2.23  0.87
assign (resid   33  and name HG+   ) (resid   32  and name HN    )   4.25  2.35  1.75
assign (resid   33  and name HN    ) (resid   32  and name HN    )   2.56  0.66  0.14
assign (resid   46  and name HA    ) (resid   32  and name HN    )   4.45  2.55  0.55
assign (resid   46  and name HB    ) (resid   32  and name HN    )   3.79  1.89  1.21
assign (resid   46  and name HG2+  ) (resid   32  and name HN    )   3.47  1.57  2.53
assign (resid   47  and name HA    ) (resid   32  and name HN    )   2.82  0.92  0.48
assign (resid   47  and name HB+   ) (resid   32  and name HN    )   3.47  1.57  2.53
assign (resid   47  and name HB+   ) (resid   32  and name HN    )   3.55  1.65  2.45
assign (resid   47  and name HD+   ) (resid   32  and name HN    )   4.56  2.66  2.44
assign (resid   48  and name HN    ) (resid   32  and name HN    )   3.68  1.78  1.32
assign (resid   57  and name HD2+  ) (resid   32  and name HN    )   4.71  2.81  1.29 

assign (resid   31  and name HA    ) (resid   33  and name HN    )   3.18  1.28  0.12
assign (resid   31  and name HB    ) (resid   33  and name HN    )   4.30  2.40  0.70
assign (resid   31  and name HG*   ) (resid   33  and name HN    )   2.68  0.78  2.42
assign (resid   32  and name HA    ) (resid   33  and name HN    )   3.26  1.36  0.04
assign (resid   32  and name HB+   ) (resid   33  and name HN    )   3.46  1.56  2.54
assign (resid   32  and name HB+   ) (resid   33  and name HN    )   3.49  1.59  2.51
assign (resid   32  and name HN    ) (resid   33  and name HN    )   2.50  0.60  2.50  
assign (resid   33  and name HA    ) (resid   33  and name HN    )   2.93  1.03  0.37
assign (resid   33  and name HB+   ) (resid   33  and name HN    )   2.80  0.90  1.50
assign (resid   33  and name HG+   ) (resid   33  and name HN    )   3.62  1.72  2.38
assign (resid   34  and name HN    ) (resid   33  and name HN    )   3.57  1.67  1.43
assign (resid   45  and name HA    ) (resid   33  and name HN    )   3.67  1.77  1.33
assign (resid   46  and name HA    ) (resid   33  and name HN    )   4.33  2.43  0.67
assign (resid   46  and name HB    ) (resid   33  and name HN    )   2.93  1.03  0.37
assign (resid   46  and name HG2+  ) (resid   33  and name HN    )   3.22  1.32  2.78 
assign (resid   47  and name HA    ) (resid   33  and name HN    )   3.61  1.71  1.39
assign (resid   47  and name HB+   ) (resid   33  and name HN    )   4.29  2.39  1.71

assign (resid   45  and name HA    ) (resid   34  and name HA    )   2.57  0.67  0.13
assign (resid   22  and name HE+   ) (resid   34  and name HN    )   4.32  2.42  1.68
assign (resid   33  and name HA    ) (resid   34  and name HN    )   2.23  0.33  0.47
assign (resid   33  and name HB+   ) (resid   34  and name HN    )   3.01  1.11  1.29
assign (resid   33  and name HG+   ) (resid   34  and name HN    )   2.95  1.05  1.35
assign (resid   33  and name HN    ) (resid   34  and name HN    )   3.85  1.95  1.15
assign (resid   34  and name HA    ) (resid   34  and name HN    )   2.78  0.88  0.52
assign (resid   34  and name HB    ) (resid   34  and name HN    )   2.82  0.92  0.48
assign (resid   34  and name HG*   ) (resid   34  and name HN    )   2.81  0.91  2.19
assign (resid   35  and name HA    ) (resid   34  and name HN    )   4.03  2.13  0.97
assign (resid   35  and name HN    ) (resid   34  and name HN    )   3.71  1.81  1.29
assign (resid   45  and name HA    ) (resid   34  and name HN    )   3.82  1.92  1.18
assign (resid   46  and name HB    ) (resid   34  and name HN    )   4.29  2.39  0.71

assign (resid   22  and name HD+   ) (resid   35  and name HN    )   4.63  2.73  1.37
assign (resid   25  and name HB+   ) (resid   35  and name HN    )   4.64  2.74  1.36
assign (resid   34  and name HA    ) (resid   35  and name HN    )   2.30  0.40  0.40
assign (resid   34  and name HB    ) (resid   35  and name HN    )   3.69  1.79  1.31
assign (resid   34  and name HG*   ) (resid   35  and name HN    )   2.62  0.72  2.48
assign (resid   34  and name HN    ) (resid   35  and name HN    )   4.01  2.11  0.99
assign (resid   35  and name HA    ) (resid   35  and name HN    )   2.99  1.09  0.31
assign (resid   35  and name HB+   ) (resid   35  and name HN    )   3.08  1.18  0.82
assign (resid   35  and name HB+   ) (resid   35  and name HN    )   2.87  0.97  1.03
assign (resid   33  and name HG+   ) (resid   35  and name HN    )   4.32  2.42  1.68
assign (resid   43  and name HA    ) (resid   35  and name HN    )   3.66  1.76  1.34
assign (resid   44  and name HG*   ) (resid   35  and name HN    )   3.45  1.55  3.95
assign (resid   44  and name HN    ) (resid   35  and name HN    )   3.04  1.14  0.26
assign (resid   45  and name HA    ) (resid   35  and name HN    )   3.19  1.29  0.11

assign (resid   35  and name HA    ) (resid   36  and name HN    )   2.72  0.82  0.58
assign (resid   35  and name HB+   ) (resid   36  and name HN    )   4.04  2.14  1.96
assign (resid   35  and name HB+   ) (resid   36  and name HN    )   3.78  1.88  2.22
assign (resid   35  and name HN    ) (resid   36  and name HN    )   4.24  2.34  0.76
assign (resid   36  and name HA    ) (resid   36  and name HN    )   2.42  0.52  0.88 
assign (resid   36  and name HB    ) (resid   36  and name HN    )   3.27  1.37  1.73 
assign (resid   36  and name HG*   ) (resid   36  and name HN    )   3.23  1.33  1.77
assign (resid   43  and name HA    ) (resid   36  and name HN    )   3.99  2.09  1.01
assign (resid   44  and name HG*   ) (resid   36  and name HN    )   4.55  2.65  2.85

assign (resid   36  and name HB    ) (resid   37  and name HN    )   3.61  1.71  1.39
assign (resid   36  and name HG*   ) (resid   37  and name HN    )   2.74  0.84  2.96
assign (resid   37  and name HA1   ) (resid   37  and name HN    )   2.71  0.81  0.59
assign (resid   41  and name HA    ) (resid   37  and name HN    )   4.70  2.80  0.30
assign (resid   42  and name HA    ) (resid   37  and name HN    )   4.45  2.55  0.55
assign (resid   42  and name HB+   ) (resid   37  and name HN    )   3.94  2.04  2.06
assign (resid   42  and name HG+   ) (resid   37  and name HN    )   4.35  2.45  1.65
assign (resid   42  and name HN    ) (resid   37  and name HN    )   3.39  1.49  1.61
assign (resid   43  and name HA    ) (resid   37  and name HN    )   2.95  1.05  0.35
assign (resid   43  and name HB+   ) (resid   37  and name HN    )   3.45  1.55  2.55
assign (resid   44  and name HN    ) (resid   37  and name HN    )   3.47  1.57  1.53

assign (resid   19  and name HN    ) (resid   38  and name HN    )   4.24  2.34  0.76
assign (resid   37  and name HA1   ) (resid   38  and name HN    )   3.52  1.62  1.48 
assign (resid   37  and name HA2   ) (resid   38  and name HN    )   3.20  1.30  0.10 
assign (resid   37  and name HN    ) (resid   38  and name HN    )   4.21  2.31  0.79
assign (resid   38  and name HA    ) (resid   38  and name HN    )   3.99  2.09  1.01
assign (resid   38  and name HB+   ) (resid   38  and name HN    )   3.55  1.65  2.05
assign (resid   38  and name HB+   ) (resid   38  and name HN    )   3.55  1.65  2.45

assign (resid   19  and name HN    ) (resid   39  and name HN    )   4.39  2.49  0.61
assign (resid   38  and name HA    ) (resid   39  and name HN    )   4.55  2.65  0.45
assign (resid   38  and name HB+   ) (resid   39  and name HN    )   3.83  1.93  2.17
assign (resid   38  and name HB+   ) (resid   39  and name HN    )   4.34  2.44  1.66
assign (resid   39  and name HA    ) (resid   39  and name HN    )   3.59  1.69  1.41
assign (resid   39  and name HB+   ) (resid   39  and name HN    )   3.46  1.56  2.14
assign (resid   39  and name HB+   ) (resid   39  and name HN    )   3.69  1.79  1.91
assign (resid   39  and name HG+   ) (resid   39  and name HN    )   4.25  2.35  1.75
assign (resid   39  and name HG+   ) (resid   39  and name HN    )   3.98  2.08  2.02
assign (resid   40  and name HB+   ) (resid   39  and name HN    )   4.88  2.98  1.12
assign (resid   40  and name HN    ) (resid   39  and name HN    )   4.31  2.41  0.69

assign (resid   37  and name HA1   ) (resid   40  and name HN    )   4.54  2.64  0.46 
assign (resid   39  and name HA    ) (resid   40  and name HN    )   3.76  1.86  1.24
assign (resid   39  and name HB+   ) (resid   40  and name HN    )   3.40  1.50  2.60
assign (resid   39  and name HB+   ) (resid   40  and name HN    )   3.49  1.59  2.51
assign (resid   39  and name HG+   ) (resid   40  and name HN    )   4.35  2.45  1.65
assign (resid   39  and name HG+   ) (resid   40  and name HN    )   4.32  2.42  1.68
assign (resid   39  and name HN    ) (resid   40  and name HN    )   4.24  2.34  0.76
assign (resid   40  and name HA    ) (resid   40  and name HN    )   3.29  1.39  0.01
assign (resid   40  and name HB+   ) (resid   40  and name HN    )   3.25  1.35  0.65
assign (resid   40  and name HB+   ) (resid   40  and name HN    )   2.82  0.92  1.08
assign (resid   40  and name HD+   ) (resid   40  and name HN    )   3.84  1.94  2.16
assign (resid   40  and name HG+   ) (resid   40  and name HN    )   3.53  1.63  2.47
assign (resid   41  and name HN    ) (resid   40  and name HN    )   3.22  1.32  0.08

assign (resid   38  and name HA    ) (resid   41  and name HN    )   3.79  1.89  1.21
assign (resid   40  and name HA    ) (resid   41  and name HN    )   3.48  1.58  1.52
assign (resid   40  and name HB+   ) (resid   41  and name HN    )   3.58  1.68  2.42
assign (resid   40  and name HN    ) (resid   41  and name HN    )   3.27  1.37  0.03
assign (resid   41  and name HA    ) (resid   41  and name HN    )   2.69  0.79  0.01
assign (resid   41  and name HB+   ) (resid   41  and name HN    )   3.15  1.25  1.15
assign (resid   41  and name HB+   ) (resid   41  and name HN    )   3.50  1.60  2.10
assign (resid   41  and name HD+   ) (resid   41  and name HN    )   3.79  1.89  2.21
assign (resid   41  and name HD+   ) (resid   41  and name HN    )   4.47  2.57  1.53
assign (resid   41  and name HG+   ) (resid   41  and name HN    )   3.31  1.41  2.69
assign (resid   41  and name HG+   ) (resid   41  and name HN    )   3.46  1.56  2.54

assign (resid    9  and name HG*   ) (resid   42  and name HN    )   3.78  1.88  3.62
assign (resid    9  and name HG*   ) (resid   42  and name HN    )   4.16  2.26  3.24
assign (resid   37  and name HA1   ) (resid   42  and name HN    )   4.01  2.11  0.99 
assign (resid   37  and name HA2   ) (resid   42  and name HN    )   4.35  2.45  0.65 
assign (resid   37  and name HN    ) (resid   42  and name HN    )   3.41  1.51  1.59
assign (resid   38  and name HA    ) (resid   42  and name HN    )   4.22  2.32  0.78
assign (resid   40  and name HB+   ) (resid   42  and name HN    )   3.60  1.70  2.40
assign (resid   41  and name HA    ) (resid   42  and name HN    )   2.78  0.88  0.52
assign (resid   41  and name HB+   ) (resid   42  and name HN    )   3.06  1.16  1.24
assign (resid   41  and name HD+   ) (resid   42  and name HN    )   4.31  2.41  1.69
assign (resid   41  and name HD+   ) (resid   42  and name HN    )   3.78  1.88  2.22
assign (resid   42  and name HA    ) (resid   42  and name HN    )   3.15  1.25  0.15
assign (resid   42  and name HB+   ) (resid   42  and name HN    )   2.89  0.99  1.01
assign (resid   42  and name HG+   ) (resid   42  and name HN    )   3.49  1.59  2.51
assign (resid   42  and name HG+   ) (resid   42  and name HN    )   3.60  1.70  2.40
assign (resid   43  and name HA    ) (resid   42  and name HN    )   4.58  2.68  0.42
assign (resid   43  and name HB+   ) (resid   42  and name HN    )   3.95  2.05  2.05
assign (resid   43  and name HN    ) (resid   42  and name HN    )   3.87  1.97  1.13

assign (resid    6  and name HA    ) (resid   43  and name HN    )   3.60  1.70  1.40
assign (resid    7  and name HG    ) (resid   43  and name HN    )   3.81  1.91  1.19
assign (resid    7  and name HN    ) (resid   43  and name HN    )   3.04  1.14  0.26
assign (resid    8  and name HA    ) (resid   43  and name HN    )   3.41  1.51  1.59
assign (resid    9  and name HN    ) (resid   43  and name HN    )   3.76  1.86  1.24
assign (resid   21  and name HG*   ) (resid   43  and name HN    )   3.04  1.14  2.66 
assign (resid   42  and name HA    ) (resid   43  and name HN    )   2.40  0.50  0.30
assign (resid   42  and name HG+   ) (resid   43  and name HN    )   3.75  1.85  2.25
assign (resid   42  and name HG+   ) (resid   43  and name HN    )   4.09  2.19  1.91
assign (resid   42  and name HN    ) (resid   43  and name HN    )   4.00  2.10  1.00
assign (resid   43  and name HA    ) (resid   43  and name HN    )   3.20  1.30  0.10
assign (resid   43  and name HB+   ) (resid   43  and name HN    )   2.64  0.74  0.66

assign (resid    6  and name HA    ) (resid   44  and name HA    )   2.30  0.40  0.40
assign (resid   35  and name HB+   ) (resid   44  and name HN    )   3.62  1.72  2.38
assign (resid   35  and name HB+   ) (resid   44  and name HN    )   3.68  1.78  2.32
assign (resid   35  and name HN    ) (resid   44  and name HN    )   3.13  1.23  0.17
assign (resid   37  and name HN    ) (resid   44  and name HN    )   4.07  2.17  0.93
assign (resid   43  and name HA    ) (resid   44  and name HN    )   2.33  0.43  0.37
assign (resid   44  and name HA    ) (resid   44  and name HN    )   2.97  1.07  0.33
assign (resid   44  and name HB    ) (resid   44  and name HN    )   2.60  0.70  0.10
assign (resid   44  and name HG*   ) (resid   44  and name HN    )   2.61  0.71  1.79
assign (resid   44  and name HG*   ) (resid   44  and name HN    )   2.83  0.93  2.17
assign (resid   45  and name HN    ) (resid   44  and name HN    )   3.60  1.70  1.40

assign (resid   34  and name HA    ) (resid   45  and name HA    )   2.78  0.88  0.52
assign (resid    5  and name HN    ) (resid   45  and name HN    )   3.07  1.17  0.23
assign (resid    6  and name HA    ) (resid   45  and name HN    )   3.16  1.26  0.14
assign (resid    6  and name HN    ) (resid   45  and name HN    )   4.35  2.45  0.65
assign (resid    7  and name HB+   ) (resid   45  and name HN    )   4.38  2.48  2.62
assign (resid    7  and name HN    ) (resid   45  and name HN    )   3.77  1.87  1.23
assign (resid   25  and name HD2+  ) (resid   45  and name HN    )   4.47  2.57  1.53 
assign (resid   44  and name HA    ) (resid   45  and name HN    )   2.43  0.53  0.27
assign (resid   44  and name HG*   ) (resid   45  and name HN    )   2.86  0.96  2.84
assign (resid   45  and name HA    ) (resid   45  and name HN    )   3.22  1.32  0.08
assign (resid   45  and name HB    ) (resid   45  and name HN    )   2.83  0.93  1.47
assign (resid   45  and name HG*   ) (resid   45  and name HN    )   2.85  0.95  2.15
assign (resid   45  and name HG*   ) (resid   45  and name HN    )   2.94  1.04  2.06
assign (resid   57  and name HD1+  ) (resid   45  and name HN    )   4.44  2.54  1.56 

assign (resid    4  and name HA    ) (resid   46  and name HA    )   1.99  0.09  0.71
assign (resid    4  and name HG2+  ) (resid   46  and name HA    )   2.34  0.44  1.36
assign (resid   45  and name HG*   ) (resid   46  and name HA    )   2.91  1.01  2.79
assign (resid   47  and name HA    ) (resid   46  and name HA    )   3.42  1.52  1.58
assign (resid   47  and name HD1   ) (resid   46  and name HA    )   2.80  0.90  0.50 
assign (resid   47  and name HE1   ) (resid   46  and name HA    )   3.31  1.41  1.69 
assign (resid   33  and name HB+   ) (resid   46  and name HN    )   3.48  1.58  2.52
assign (resid   33  and name HN    ) (resid   46  and name HN    )   3.42  1.52  1.58
assign (resid   45  and name HA    ) (resid   46  and name HN    )   2.54  0.64  0.16
assign (resid   45  and name HB    ) (resid   46  and name HN    )   3.95  2.05  1.05
assign (resid   45  and name HN    ) (resid   46  and name HN    )   4.10  2.20  0.90
assign (resid   46  and name HA    ) (resid   46  and name HN    )   3.44  1.54  1.56
assign (resid   46  and name HB    ) (resid   46  and name HN    )   2.99  1.09  0.31
assign (resid   46  and name HG2+  ) (resid   46  and name HN    )   2.94  1.04  1.36
assign (resid   47  and name HN    ) (resid   46  and name HN    )   4.16  2.26  0.84
assign (resid   57  and name HD2+  ) (resid   46  and name HN    )   4.42  2.52  1.58 

assign (resid   31  and name HA    ) (resid   47  and name HA    )   2.12  0.22  0.58
assign (resid   47  and name HD+   ) (resid   47  and name HA    )   2.63  0.73  2.07
assign (resid   47  and name HE+   ) (resid   47  and name HA    )   3.51  1.61  3.49
assign (resid   57  and name HD1+  ) (resid   47  and name HB+   )   3.45  1.55  3.55 
assign (resid   57  and name HD1+  ) (resid   47  and name HB+   )   3.44  1.54  3.56 
assign (resid   53  and name HA    ) (resid   47  and name HD+   )   3.34  1.44  3.66
assign (resid    4  and name HA    ) (resid   47  and name HD1   )   2.89  0.99  0.41 
assign (resid   46  and name HA    ) (resid   47  and name HD1   )   2.74  0.84  0.56 
assign (resid   57  and name HD1+  ) (resid   47  and name HD1   )   2.61  0.71  1.09 
assign (resid   57  and name HD2+  ) (resid   47  and name HD1   )   2.95  1.05  1.75 
assign (resid   49  and name HA    ) (resid   47  and name HD2   )   2.32  0.42  0.38 
assign (resid   53  and name HA    ) (resid   47  and name HE+   )   2.64  0.74  2.06
assign (resid   54  and name HA    ) (resid   47  and name HE1   )   3.05  1.15  0.25 
assign (resid   57  and name HD1+  ) (resid   47  and name HE1   )   2.71  0.81  1.69 
assign (resid   57  and name HD2+  ) (resid   47  and name HE1   )   3.32  1.42  2.68 
assign (resid    3  and name HG+   ) (resid   47  and name HE2   )   2.35  0.45  1.35 
assign (resid   49  and name HA    ) (resid   47  and name HE2   )   2.30  0.40  0.40 
assign (resid   49  and name HB+   ) (resid   47  and name HE2   )   2.65  0.75  1.05 
assign (resid    3  and name HB+   ) (resid   47  and name HZ    )   3.12  1.22  1.18
assign (resid    3  and name HG+   ) (resid   47  and name HZ    )   2.72  0.82  1.58
assign (resid   49  and name HA    ) (resid   47  and name HZ    )   3.02  1.12  1.98 
assign (resid   49  and name HB+   ) (resid   47  and name HZ    )   3.28  1.38  1.02
assign (resid   53  and name HA    ) (resid   47  and name HZ    )   3.26  1.36  0.04
assign (resid   54  and name HA    ) (resid   47  and name HZ    )   3.34  1.44  1.66
assign (resid   57  and name HD1+  ) (resid   47  and name HZ    )   3.00  1.10  1.30 

assign (resid    2  and name HA    ) (resid   47  and name HN    )   3.99  2.09  1.01
assign (resid    2  and name HB    ) (resid   47  and name HN    )   3.74  1.84  1.26
assign (resid    3  and name HA    ) (resid   47  and name HN    )   4.51  2.61  0.49
assign (resid    3  and name HG+   ) (resid   47  and name HN    )   4.79  2.89  2.21
assign (resid    3  and name HB+   ) (resid   47  and name HN    )   4.45  2.55  1.55
assign (resid    3  and name HN    ) (resid   47  and name HN    )   3.25  1.35  0.05
assign (resid   31  and name HG*   ) (resid   47  and name HN    )   4.32  2.42  3.08
assign (resid   46  and name HA    ) (resid   47  and name HN    )   2.54  0.64  0.16
assign (resid   46  and name HN    ) (resid   47  and name HN    )   4.05  2.15  0.95
assign (resid   46  and name HG2+  ) (resid   47  and name HN    )   2.89  0.99  1.41
assign (resid   47  and name HA    ) (resid   47  and name HN    )   3.43  1.53  1.57
assign (resid   47  and name HB+   ) (resid   47  and name HN    )   3.80  1.90  1.80
assign (resid   47  and name HB+   ) (resid   47  and name HN    )   3.97  2.07  2.03
assign (resid   47  and name HD1   ) (resid   47  and name HN    )   3.04  1.14  0.26 
assign (resid   47  and name HE1   ) (resid   47  and name HN    )   4.06  2.16  0.94 
assign (resid   48  and name HN    ) (resid   47  and name HN    )   4.44  2.54  0.56

assign (resid    2  and name HA    ) (resid   48  and name HA    )   2.45  0.55  0.25
assign (resid   30  and name HA1   ) (resid   48  and name HN    )   3.67  1.77  1.33 
assign (resid   30  and name HA2   ) (resid   48  and name HN    )   3.58  1.68  1.42 
assign (resid   31  and name HA    ) (resid   48  and name HN    )   3.34  1.44  1.66
assign (resid   31  and name HG*   ) (resid   48  and name HN    )   3.51  1.61  3.89
assign (resid   32  and name HN    ) (resid   48  and name HN    )   3.75  1.85  1.25
assign (resid   46  and name HG2+  ) (resid   48  and name HN    )   4.11  2.21  1.89
assign (resid   47  and name HA    ) (resid   48  and name HN    )   2.59  0.69  0.11
assign (resid   47  and name HD2   ) (resid   48  and name HN    )   3.49  1.59  1.51 
assign (resid   47  and name HN    ) (resid   48  and name HN    )   4.10  2.20  0.90
assign (resid   48  and name HA    ) (resid   48  and name HN    )   2.99  1.09  0.31
assign (resid   48  and name HB+   ) (resid   48  and name HN    )   2.70  0.80  0.60
assign (resid   48  and name HB+   ) (resid   48  and name HN    )   2.57  0.67  0.73
assign (resid   49  and name HN    ) (resid   48  and name HN    )   3.87  1.97  1.13
assign (resid   52  and name HB+   ) (resid   48  and name HN    )   3.58  1.68  2.42

assign (resid    1  and name HA    ) (resid   49  and name HN    )   4.04  2.14  0.96
assign (resid    1  and name HB+   ) (resid   49  and name HN    )   3.40  1.50  3.60
assign (resid    2  and name HA    ) (resid   49  and name HN    )   3.35  1.45  1.65
assign (resid    3  and name HB+   ) (resid   49  and name HN    )   3.73  1.83  2.27
assign (resid    3  and name HG+   ) (resid   49  and name HN    )   3.68  1.78  3.32
assign (resid    3  and name HN    ) (resid   49  and name HN    )   4.17  2.27  0.83
assign (resid   47  and name HD2   ) (resid   49  and name HN    )   3.73  1.83  1.27 
assign (resid   47  and name HE2   ) (resid   49  and name HN    )   3.94  2.04  1.06 
assign (resid   48  and name HA    ) (resid   49  and name HN    )   2.33  0.43  0.37
assign (resid   48  and name HB+   ) (resid   49  and name HN    )   3.41  1.51  2.59
assign (resid   48  and name HB+   ) (resid   49  and name HN    )   3.80  1.90  2.20
assign (resid   48  and name HN    ) (resid   49  and name HN    )   3.96  2.06  1.04
assign (resid   49  and name HA    ) (resid   49  and name HN    )   2.98  1.08  0.32
assign (resid   49  and name HB+   ) (resid   49  and name HN    )   3.11  1.21  0.79
assign (resid   49  and name HB+   ) (resid   49  and name HN    )   2.91  1.01  0.99
assign (resid   51  and name HN    ) (resid   49  and name HN    )   3.73  1.83  1.27

assign (resid   47  and name HD2   ) (resid   50  and name HN    )   4.53  2.63  0.47 
assign (resid   47  and name HE2   ) (resid   50  and name HN    )   4.74  2.84  0.26 
assign (resid   48  and name HB+   ) (resid   50  and name HN    )   4.47  2.57  1.53
assign (resid   48  and name HB+   ) (resid   50  and name HN    )   4.15  2.25  1.85
assign (resid   49  and name HA    ) (resid   50  and name HN    )   3.33  1.43  1.67
assign (resid   49  and name HB+   ) (resid   50  and name HN    )   4.20  2.30  1.80
assign (resid   49  and name HB+   ) (resid   50  and name HN    )   4.10  2.20  1.90
assign (resid   50  and name HA    ) (resid   50  and name HN    )   2.94  1.04  0.36
assign (resid   50  and name HB    ) (resid   50  and name HN    )   3.40  1.50  1.60
assign (resid   50  and name HG2+  ) (resid   50  and name HN    )   2.60  0.70  1.10
assign (resid   51  and name HN    ) (resid   50  and name HN    )   2.63  0.73  0.07
assign (resid   51  and name HB+   ) (resid   50  and name HN    )   3.81  1.91  2.19
assign (resid   52  and name HN    ) (resid   50  and name HN    )   3.31  1.41  1.69

assign (resid   30  and name HA1   ) (resid   51  and name HN    )   4.19  2.29  0.81 
assign (resid   47  and name HD2   ) (resid   51  and name HN    )   4.31  2.41  0.69 
assign (resid   48  and name HB+   ) (resid   51  and name HN    )   3.79  1.89  2.21
assign (resid   48  and name HB+   ) (resid   51  and name HN    )   4.04  2.14  1.96
assign (resid   49  and name HA    ) (resid   51  and name HN    )   3.46  1.56  1.54
assign (resid   49  and name HB+   ) (resid   51  and name HN    )   4.78  2.88  1.22
assign (resid   49  and name HB+   ) (resid   51  and name HN    )   4.70  2.80  1.30
assign (resid   50  and name HB    ) (resid   51  and name HN    )   3.89  1.99  1.11
assign (resid   50  and name HN    ) (resid   51  and name HN    )   2.70  0.80  0.60
assign (resid   51  and name HA    ) (resid   51  and name HN    )   2.80  0.90  0.50
assign (resid   51  and name HG+   ) (resid   51  and name HN    )   2.98  1.08  1.32
assign (resid   52  and name HA    ) (resid   51  and name HN    )   3.89  1.99  1.11
assign (resid   52  and name HN    ) (resid   51  and name HN    )   2.50  0.60  0.20

assign (resid   28  and name HG*   ) (resid   52  and name HN    )   4.18  2.28  3.22
assign (resid   30  and name HA1   ) (resid   52  and name HN    )   4.03  2.13  0.97 
assign (resid   47  and name HD2   ) (resid   52  and name HN    )   3.48  1.58  1.52 
assign (resid   47  and name HE2   ) (resid   52  and name HN    )   4.18  2.28  0.82 
assign (resid   48  and name HB+   ) (resid   52  and name HN    )   3.99  2.09  2.01
assign (resid   48  and name HB+   ) (resid   52  and name HN    )   4.02  2.12  1.98
assign (resid   49  and name HA    ) (resid   52  and name HN    )   3.11  1.21  0.19
assign (resid   51  and name HA    ) (resid   52  and name HN    )   3.04  1.14  0.26
assign (resid   51  and name HB+   ) (resid   52  and name HN    )   2.94  1.04  1.36
assign (resid   51  and name HN    ) (resid   52  and name HN    )   2.47  0.57  0.23
assign (resid   52  and name HA    ) (resid   52  and name HN    )   2.97  1.07  0.33
assign (resid   52  and name HB+   ) (resid   52  and name HN    )   2.62  0.72  1.08
assign (resid   53  and name HN    ) (resid   52  and name HN    )   3.93  2.03  1.07

assign (resid   57  and name HD1+  ) (resid   53  and name HA    )   3.36  1.46  2.24 
assign (resid   28  and name HG*   ) (resid   53  and name HN    )   4.25  2.35  3.15
assign (resid   28  and name HG*   ) (resid   53  and name HN    )   3.44  1.54  3.96
assign (resid   47  and name HD+   ) (resid   53  and name HN    )   4.11  2.21  2.89
assign (resid   47  and name HE+   ) (resid   53  and name HN    )   4.14  2.24  2.86
assign (resid   52  and name HA    ) (resid   53  and name HN    )   2.45  0.55  0.25
assign (resid   52  and name HB+   ) (resid   53  and name HN    )   2.51  0.61  1.19
assign (resid   52  and name HN    ) (resid   53  and name HN    )   3.85  1.95  1.15
assign (resid   53  and name HA    ) (resid   53  and name HN    )   2.94  1.04  0.36
assign (resid   53  and name HB+   ) (resid   53  and name HN    )   3.18  1.28  0.72
assign (resid   53  and name HB+   ) (resid   53  and name HN    )   3.51  1.61  2.09
assign (resid   54  and name HG*   ) (resid   53  and name HN    )   4.43  2.53  2.97
assign (resid   54  and name HG*   ) (resid   53  and name HN    )   4.25  2.35  3.15
assign (resid   54  and name HN    ) (resid   53  and name HN    )   4.11  2.21  0.89
assign (resid   55  and name HB+   ) (resid   53  and name HN    )   4.02  2.12  1.98
assign (resid   56  and name HB+   ) (resid   53  and name HN    )   2.52  0.62  1.18
assign (resid   56  and name HE+   ) (resid   53  and name HN    )   3.92  2.02  2.08
assign (resid   56  and name HN    ) (resid   53  and name HN    )   3.28  1.38  0.02
assign (resid   57  and name HB+   ) (resid   53  and name HN    )   4.43  2.53  1.57
assign (resid   57  and name HD1+  ) (resid   53  and name HN    )   4.32  2.42  1.68 
assign (resid   57  and name HD2+  ) (resid   53  and name HN    )   3.93  2.03  2.07 
assign (resid   57  and name HG    ) (resid   53  and name HN    )   2.94  1.04  0.36
assign (resid   57  and name HN    ) (resid   53  and name HN    )   3.57  1.67  1.43

assign (resid   57  and name HD1+  ) (resid   54  and name HA    )   2.27  0.37  1.43 
assign (resid   47  and name HE+   ) (resid   54  and name HN    )   4.11  2.21  2.89
assign (resid   47  and name HZ    ) (resid   54  and name HN    )   4.13  2.23  0.87
assign (resid   53  and name HA    ) (resid   54  and name HN    )   2.71  0.81  0.59
assign (resid   53  and name HB+   ) (resid   54  and name HN    )   3.12  1.22  1.18
assign (resid   53  and name HB+   ) (resid   54  and name HN    )   3.37  1.47  2.63
assign (resid   53  and name HN    ) (resid   54  and name HN    )   4.40  2.50  0.60
assign (resid   54  and name HA    ) (resid   54  and name HN    )   3.15  1.25  0.15
assign (resid   54  and name HB    ) (resid   54  and name HN    )   2.87  0.97  0.43
assign (resid   54  and name HG*   ) (resid   54  and name HN    )   3.29  1.39  1.71
assign (resid   54  and name HG*   ) (resid   54  and name HN    )   2.81  0.91  2.19
assign (resid   55  and name HN    ) (resid   54  and name HN    )   4.14  2.24  0.86
assign (resid   56  and name HN    ) (resid   54  and name HN    )   4.53  2.63  0.47
assign (resid   57  and name HD1+  ) (resid   54  and name HN    )   4.23  2.33  1.77 
assign (resid   57  and name HD2+  ) (resid   54  and name HN    )   4.86  2.96  1.14 
assign (resid   57  and name HG    ) (resid   54  and name HN    )   4.85  2.95  0.15

assign (resid   53  and name HB+   ) (resid   55  and name HN    )   3.83  1.93  2.17
assign (resid   53  and name HB+   ) (resid   55  and name HN    )   4.06  2.16  1.94
assign (resid   54  and name HA    ) (resid   55  and name HN    )   4.25  2.35  0.75
assign (resid   54  and name HG*   ) (resid   55  and name HN    )   3.81  1.91  3.59
assign (resid   54  and name HG*   ) (resid   55  and name HN    )   3.88  1.98  3.52
assign (resid   54  and name HN    ) (resid   55  and name HN    )   3.87  1.97  1.13
assign (resid   55  and name HA    ) (resid   55  and name HN    )   3.37  1.47  1.63
assign (resid   55  and name HB+   ) (resid   55  and name HN    )   3.02  1.12  1.28
assign (resid   55  and name HG+   ) (resid   55  and name HN    )   3.92  2.02  2.08
assign (resid   56  and name HB+   ) (resid   55  and name HN    )   4.53  2.63  1.47
assign (resid   56  and name HN    ) (resid   55  and name HN    )   3.42  1.52  1.58
assign (resid   57  and name HN    ) (resid   55  and name HN    )   4.29  2.39  0.71
assign (resid   28  and name HG*   ) (resid   56  and name HN    )   4.08  2.18  3.32
assign (resid   52  and name HA    ) (resid   56  and name HN    )   4.25  2.35  0.75
assign (resid   53  and name HB+   ) (resid   56  and name HN    )   3.83  1.93  2.17
assign (resid   53  and name HN    ) (resid   56  and name HN    )   3.40  1.50  1.60
assign (resid   54  and name HA    ) (resid   56  and name HN    )   4.22  2.32  0.78
assign (resid   54  and name HG*   ) (resid   56  and name HN    )   4.25  2.35  3.15
assign (resid   55  and name HA    ) (resid   56  and name HN    )   3.40  1.50  1.60
assign (resid   55  and name HB+   ) (resid   56  and name HN    )   3.18  1.28  1.12
assign (resid   55  and name HG+   ) (resid   56  and name HN    )   4.07  2.17  1.93
assign (resid   55  and name HN    ) (resid   56  and name HN    )   3.48  1.58  1.52
assign (resid   56  and name HA    ) (resid   56  and name HN    )   2.84  0.94  0.46
assign (resid   56  and name HB+   ) (resid   56  and name HN    )   2.58  0.68  1.12
assign (resid   56  and name HD+   ) (resid   56  and name HN    )   3.03  1.13  1.27
assign (resid   56  and name HE+   ) (resid   56  and name HN    )   4.40  2.50  1.60
assign (resid   56  and name HG+   ) (resid   56  and name HN    )   3.38  1.48  2.62
assign (resid   57  and name HB+   ) (resid   56  and name HN    )   3.16  1.26  2.84 
assign (resid   57  and name HB+   ) (resid   56  and name HN    )   4.09  2.19  1.91
assign (resid   57  and name HD1+  ) (resid   56  and name HN    )   4.33  2.43  1.67 
assign (resid   57  and name HD2+  ) (resid   56  and name HN    )   4.24  2.34  1.76 
assign (resid   57  and name HG    ) (resid   56  and name HN    )   3.42  1.52  1.58
assign (resid   57  and name HN    ) (resid   56  and name HN    )   2.74  0.84  0.56
assign (resid    7  and name HD1+  ) (resid   57  and name HN    )   4.81  2.91  1.19 
assign (resid    7  and name HD2+  ) (resid   57  and name HN    )   3.98  2.08  2.02 
assign (resid   28  and name HG*   ) (resid   57  and name HN    )   3.44  1.54  3.96
assign (resid   52  and name HB+   ) (resid   57  and name HN    )   3.90  2.00  2.10
assign (resid   53  and name HB+   ) (resid   57  and name HN    )   4.49  2.59  1.51
assign (resid   53  and name HN    ) (resid   57  and name HN    )   3.76  1.86  1.24
assign (resid   54  and name HA    ) (resid   57  and name HN    )   3.19  1.29  0.11
assign (resid   54  and name HG*   ) (resid   57  and name HN    )   3.64  1.74  3.76
assign (resid   55  and name HA    ) (resid   57  and name HN    )   3.52  1.62  1.48
assign (resid   56  and name HB+   ) (resid   57  and name HN    )   2.96  1.06  1.34
assign (resid   56  and name HD+   ) (resid   57  and name HN    )   4.27  2.37  1.73
assign (resid   56  and name HN    ) (resid   57  and name HN    )   2.77  0.87  0.53
assign (resid   57  and name HA    ) (resid   57  and name HN    )   2.91  1.01  0.39
assign (resid   57  and name HB+   ) (resid   57  and name HN    )   2.76  0.86  1.54
assign (resid   57  and name HB+   ) (resid   57  and name HN    )   2.92  1.02  1.38
assign (resid   57  and name HD1+  ) (resid   57  and name HN    )   3.17  1.27  1.13 
assign (resid   57  and name HD2+  ) (resid   57  and name HN    )   3.11  1.21  1.19 
assign (resid   57  and name HG    ) (resid   57  and name HN    )   2.52  0.62  0.18
assign (resid   58  and name HB    ) (resid   57  and name HN    )   4.68  2.78  0.32
assign (resid   58  and name HN    ) (resid   57  and name HN    )   2.79  0.89  0.51
assign (resid    7  and name HD1+  ) (resid   58  and name HN    )   4.25  2.35  1.75 
assign (resid    7  and name HD2+  ) (resid   58  and name HN    )   4.01  2.11  1.99 
assign (resid   28  and name HG*   ) (resid   58  and name HN    )   4.11  2.21  3.29
assign (resid   54  and name HA    ) (resid   58  and name HN    )   3.75  1.85  1.25
assign (resid   54  and name HG*   ) (resid   58  and name HN    )   3.44  1.54  3.96
assign (resid   56  and name HN    ) (resid   58  and name HN    )   3.59  1.69  1.41
assign (resid   57  and name HA    ) (resid   58  and name HN    )   3.43  1.53  1.57
assign (resid   57  and name HB+   ) (resid   58  and name HN    )   2.81  0.91  1.49
assign (resid   57  and name HD1+  ) (resid   58  and name HN    )   3.66  1.76  2.34 
assign (resid   57  and name HD2+  ) (resid   58  and name HN    )   4.00  2.10  2.00 
assign (resid   57  and name HG    ) (resid   58  and name HN    )   3.38  1.48  1.62
assign (resid   57  and name HN    ) (resid   58  and name HN    )   2.78  0.88  0.52
assign (resid   58  and name HB    ) (resid   58  and name HN    )   3.31  1.41  1.69
assign (resid   59  and name HN    ) (resid   58  and name HN    )   2.80  0.90  0.50
assign (resid   62  and name HB+   ) (resid   59  and name HA    )   2.17  0.27  1.53
assign (resid   28  and name HG*   ) (resid   59  and name HN    )   4.62  2.72  2.78
assign (resid   28  and name HG*   ) (resid   59  and name HN    )   4.49  2.59  2.91
assign (resid   55  and name HG+   ) (resid   59  and name HN    )   4.37  2.47  1.63
assign (resid   56  and name HA    ) (resid   59  and name HN    )   3.20  1.30  0.10
assign (resid   58  and name HB    ) (resid   59  and name HN    )   3.45  1.55  1.55
assign (resid   58  and name HG2+  ) (resid   59  and name HN    )   3.43  1.53  2.57
assign (resid   58  and name HN    ) (resid   59  and name HN    )   2.81  0.91  0.49
assign (resid   59  and name HE+   ) (resid   59  and name HN    )   4.77  2.87  1.23
assign (resid   59  and name HG+   ) (resid   59  and name HN    )   3.07  1.17  1.23
assign (resid   60  and name HN    ) (resid   59  and name HN    )   2.77  0.87  0.53
assign (resid   63  and name HB+   ) (resid   60  and name HA    )   2.69  0.79  1.01
assign (resid   28  and name HG*   ) (resid   60  and name HN    )   3.47  1.57  3.93
assign (resid   28  and name HG*   ) (resid   60  and name HN    )   3.57  1.67  3.83
assign (resid   57  and name HA    ) (resid   60  and name HN    )   3.05  1.15  0.25
assign (resid   57  and name HD2+  ) (resid   60  and name HN    )   4.28  2.38  1.72 
assign (resid   58  and name HB    ) (resid   60  and name HN    )   4.16  2.26  0.84
assign (resid   58  and name HN    ) (resid   60  and name HN    )   3.67  1.77  1.33
assign (resid   59  and name HN    ) (resid   60  and name HN    )   2.57  0.67  0.13
assign (resid   60  and name HB+   ) (resid   60  and name HN    )   2.24  0.34  1.46
assign (resid   61  and name HB    ) (resid   60  and name HN    )   4.18  2.28  0.82
assign (resid   61  and name HN    ) (resid   60  and name HN    )   2.69  0.79  0.01
assign (resid   63  and name HN    ) (resid   60  and name HN    )   4.26  2.36  0.74

assign (resid   28  and name HG*   ) (resid   61  and name HN    )   3.34  1.44  4.06
assign (resid   58  and name HN    ) (resid   61  and name HN    )   4.26  2.36  0.74
assign (resid   60  and name HB+   ) (resid   61  and name HN    )   2.63  0.73  1.07
assign (resid   60  and name HN    ) (resid   61  and name HN    )   2.82  0.92  0.48
assign (resid   61  and name HA    ) (resid   61  and name HN    )   2.92  1.02  0.38
assign (resid   61  and name HB    ) (resid   61  and name HN    )   3.35  1.45  1.65
assign (resid   61  and name HG2+  ) (resid   61  and name HN    )   2.47  0.57  1.23
assign (resid   62  and name HA    ) (resid   61  and name HN    )   4.38  2.48  0.62
assign (resid   62  and name HB+   ) (resid   61  and name HN    )   3.36  1.46  2.64
assign (resid   62  and name HN    ) (resid   61  and name HN    )   2.67  0.77  0.03
assign (resid   63  and name HN    ) (resid   61  and name HN    )   3.83  1.93  1.17

assign (resid    7  and name HD2+  ) (resid   62  and name HN    )   4.52  2.62  1.48 
assign (resid   59  and name HA    ) (resid   62  and name HN    )   3.08  1.18  0.22
assign (resid   60  and name HN    ) (resid   62  and name HN    )   3.78  1.88  1.22
assign (resid   61  and name HA    ) (resid   62  and name HN    )   3.37  1.47  1.63
assign (resid   61  and name HB    ) (resid   62  and name HN    )   3.52  1.62  1.48
assign (resid   61  and name HG2+  ) (resid   62  and name HN    )   3.24  1.34  1.06
assign (resid   61  and name HN    ) (resid   62  and name HN    )   2.60  0.70  0.10
assign (resid   62  and name HA    ) (resid   62  and name HN    )   2.78  0.88  0.52
assign (resid   62  and name HB+   ) (resid   62  and name HN    )   2.36  0.46  1.34
assign (resid   63  and name HB+   ) (resid   62  and name HN    )   4.04  2.14  1.96
assign (resid   63  and name HN    ) (resid   62  and name HN    )   3.05  1.15  0.25
assign (resid   64  and name HB+   ) (resid   62  and name HN    )   3.94  2.04  2.06
assign (resid   64  and name HN    ) (resid   62  and name HN    )   4.06  2.16  0.94
assign (resid   66  and name HB+   ) (resid   62  and name HN    )   4.18  2.28  1.82
assign (resid   68  and name HB+   ) (resid   62  and name HN    )   4.48  2.58  1.52
assign (resid   68  and name HN    ) (resid   62  and name HN    )   3.98  2.08  1.02

assign (resid   59  and name HB+   ) (resid   63  and name HN    )   4.53  2.63  1.47
assign (resid   59  and name HG+   ) (resid   63  and name HN    )   3.40  1.50  2.60
assign (resid   60  and name HA    ) (resid   63  and name HN    )   3.00  1.10  0.30
assign (resid   60  and name HN    ) (resid   63  and name HN    )   4.47  2.57  0.53
assign (resid   61  and name HA    ) (resid   63  and name HN    )   4.03  2.13  0.97
assign (resid   61  and name HN    ) (resid   63  and name HN    )   3.36  1.46  1.64
assign (resid   62  and name HA    ) (resid   63  and name HN    )   3.65  1.75  1.35
assign (resid   62  and name HB+   ) (resid   63  and name HN    )   2.58  0.68  1.12
assign (resid   62  and name HN    ) (resid   63  and name HN    )   2.80  0.90  0.50
assign (resid   63  and name HA    ) (resid   63  and name HN    )   2.74  0.84  0.56
assign (resid   63  and name HB+   ) (resid   63  and name HN    )   2.56  0.66  1.14
assign (resid   64  and name HA    ) (resid   63  and name HN    )   4.25  2.35  0.75
assign (resid   64  and name HB+   ) (resid   63  and name HN    )   3.55  1.65  2.45
assign (resid   64  and name HN    ) (resid   63  and name HN    )   2.82  0.92  0.48

assign (resid   66  and name HD2   ) (resid   64  and name HA    )   3.45  1.55  1.55 
assign (resid   24  and name HB+   ) (resid   64  and name HN    )   3.43  1.53  2.57
assign (resid   60  and name HA    ) (resid   64  and name HN    )   4.10  2.20  0.90
assign (resid   60  and name HB+   ) (resid   64  and name HN    )   3.50  1.60  2.50
assign (resid   61  and name HA    ) (resid   64  and name HN    )   3.14  1.24  0.16
assign (resid   61  and name HB    ) (resid   64  and name HN    )   3.97  2.07  1.03
assign (resid   61  and name HG2+  ) (resid   64  and name HN    )   4.16  2.26  1.84
assign (resid   62  and name HA    ) (resid   64  and name HN    )   3.72  1.82  1.28
assign (resid   62  and name HB+   ) (resid   64  and name HN    )   3.49  1.59  2.51
assign (resid   63  and name HA    ) (resid   64  and name HN    )   3.31  1.41  1.69
assign (resid   63  and name HB+   ) (resid   64  and name HN    )   3.06  1.16  1.24
assign (resid   63  and name HN    ) (resid   64  and name HN    )   3.16  1.26  0.14
assign (resid   64  and name HA    ) (resid   64  and name HN    )   3.06  1.16  0.24
assign (resid   64  and name HB+   ) (resid   64  and name HN    )   2.34  0.44  1.36
assign (resid   65  and name HA1   ) (resid   64  and name HN    )   3.82  1.92  1.18 
assign (resid   65  and name HA2   ) (resid   64  and name HN    )   3.55  1.65  1.45 
assign (resid   65  and name HN    ) (resid   64  and name HN    )   2.93  1.03  0.37
assign (resid   66  and name HD2   ) (resid   64  and name HN    )   4.69  2.79  0.31 
assign (resid   66  and name HN    ) (resid   64  and name HN    )   3.67  1.77  1.33

assign (resid   62  and name HA    ) (resid   65  and name HN    )   3.40  1.50  1.60
assign (resid   62  and name HB+   ) (resid   65  and name HN    )   3.87  1.97  2.13
assign (resid   63  and name HA    ) (resid   65  and name HN    )   3.76  1.86  1.24
assign (resid   63  and name HN    ) (resid   65  and name HN    )   3.92  2.02  1.08
assign (resid   64  and name HA    ) (resid   65  and name HN    )   3.29  1.39  1.71 
assign (resid   64  and name HB+   ) (resid   65  and name HN    )   3.17  1.27  1.13
assign (resid   64  and name HN    ) (resid   65  and name HN    )   2.88  0.98  0.42
assign (resid   65  and name HA1   ) (resid   65  and name HN    )   2.90  1.00  0.40 
assign (resid   65  and name HA2   ) (resid   65  and name HN    )   2.69  0.79  0.61 
assign (resid   66  and name HA    ) (resid   65  and name HN    )   4.17  2.27  0.83
assign (resid   66  and name HB+   ) (resid   65  and name HN    )   4.62  2.72  1.38
assign (resid   66  and name HD2   ) (resid   65  and name HN    )   4.06  2.16  0.94 

assign (resid   66  and name HN    ) (resid   65  and name HN    )   2.73  0.83  0.57
assign (resid    9  and name HG*   ) (resid   66  and name HA    )   3.15  1.25  2.55
assign (resid   21  and name HG*   ) (resid   66  and name HA    )   3.51  1.61  3.89
assign (resid   66  and name HB+   ) (resid   66  and name HA    )   3.05  1.15  1.25
assign (resid   66  and name HD1   ) (resid   66  and name HA    )   2.86  0.96  0.44 
assign (resid   66  and name HD+   ) (resid   66  and name HB+   )   2.52  0.62  3.18
assign (resid   65  and name HA2   ) (resid   66  and name HD1   )   3.34  1.44  1.66 
assign (resid   21  and name HA    ) (resid   66  and name HD2   )   3.31  1.41  1.79 
assign (resid   61  and name HA    ) (resid   66  and name HD2   )   2.81  0.91  0.49 
assign (resid   64  and name HA    ) (resid   66  and name HD2   )   3.36  1.46  1.64 
assign (resid   21  and name HG*   ) (resid   66  and name HE2   )   2.70  0.80  3.00 
assign (resid    9  and name HG*   ) (resid   66  and name HN    )   4.09  2.19  3.31
assign (resid   21  and name HG*   ) (resid   66  and name HN    )   4.19  2.29  3.21
assign (resid   61  and name HG2+  ) (resid   66  and name HN    )   4.48  2.58  1.52
assign (resid   62  and name HA    ) (resid   66  and name HN    )   2.85  0.95  0.45
assign (resid   62  and name HB+   ) (resid   66  and name HN    )   3.60  1.70  2.40
assign (resid   63  and name HA    ) (resid   66  and name HN    )   4.23  2.33  0.77
assign (resid   63  and name HN    ) (resid   66  and name HN    )   4.78  2.88  0.22
assign (resid   64  and name HA    ) (resid   66  and name HN    )   4.24  2.34  0.76
assign (resid   64  and name HB+   ) (resid   66  and name HN    )   3.30  1.40  2.70
assign (resid   64  and name HN    ) (resid   66  and name HN    )   3.44  1.54  1.56
assign (resid   65  and name HA1   ) (resid   66  and name HN    )   3.99  2.09  1.01 
assign (resid   65  and name HA2   ) (resid   66  and name HN    )   3.08  1.18  0.22 
assign (resid   65  and name HN    ) (resid   66  and name HN    )   2.70  0.80  0.60
assign (resid   66  and name HA    ) (resid   66  and name HN    )   3.19  1.29  0.11
assign (resid   66  and name HB+   ) (resid   66  and name HN    )   3.00  1.10  0.90
assign (resid   66  and name HB+   ) (resid   66  and name HN    )   3.37  1.47  2.23
assign (resid   66  and name HD+   ) (resid   66  and name HN    )   3.02  1.12  2.28
assign (resid   66  and name HE+   ) (resid   66  and name HN    )   4.10  2.20  2.90
assign (resid   68  and name HN    ) (resid   66  and name HN    )   4.58  2.68  0.42

assign (resid    9  and name HA    ) (resid   68  and name HA    )   2.64  0.74  0.06
assign (resid    9  and name HA    ) (resid   68  and name HN    )   3.94  2.04  1.06
assign (resid    9  and name HG*   ) (resid   68  and name HN    )   4.72  2.82  2.68
assign (resid    9  and name HG*   ) (resid   68  and name HN    )   4.35  2.45  3.05
assign (resid   61  and name HG2+  ) (resid   68  and name HN    )   3.71  1.81  2.29
assign (resid   62  and name HA    ) (resid   68  and name HN    )   4.17  2.27  0.83
assign (resid   62  and name HB+   ) (resid   68  and name HN    )   3.42  1.52  2.58
assign (resid   62  and name HN    ) (resid   68  and name HN    )   4.19  2.29  0.81
assign (resid   66  and name HB+   ) (resid   68  and name HN    )   3.30  1.40  1.70 
assign (resid   68  and name HA    ) (resid   68  and name HN    )   3.35  1.45  1.65
assign (resid   68  and name HB+   ) (resid   68  and name HN    )   3.81  1.91  1.79
assign (resid   68  and name HB+   ) (resid   68  and name HN    )   3.90  2.00  1.70
assign (resid   69  and name HN    ) (resid   68  and name HN    )   4.25  2.35  0.75

assign (resid    7  and name HA    ) (resid   69  and name HN    )   3.43  1.53  1.57
assign (resid    7  and name HD1+  ) (resid   69  and name HN    )   3.48  1.58  2.52 
assign (resid    7  and name HG    ) (resid   69  and name HN    )   3.38  1.48  1.62
assign (resid    8  and name HN    ) (resid   69  and name HN    )   2.91  1.01  0.39
assign (resid    9  and name HG*   ) (resid   69  and name HN    )   3.94  2.04  3.46
assign (resid   41  and name HD+   ) (resid   69  and name HN    )   3.95  2.05  2.05
assign (resid   68  and name HA    ) (resid   69  and name HN    )   2.44  0.54  0.26
assign (resid   68  and name HB+   ) (resid   69  and name HN    )   2.90  1.00  1.40
assign (resid   69  and name HA    ) (resid   69  and name HN    )   3.04  1.14  0.26
assign (resid   69  and name HB+   ) (resid   69  and name HN    )   2.86  0.96  1.04
assign (resid   70  and name HA    ) (resid   69  and name HN    )   3.73  1.83  1.27
assign (resid   70  and name HN    ) (resid   69  and name HN    )   3.77  1.87  1.23
assign (resid   70   and name HG*   ) (resid   69   and name HN    )   3.89  1.99  3.51
assign (resid   70   and name HB    ) (resid   69   and name HN    )   4.26  2.36  0.74
assign (resid    7   and name HB+   ) (resid   69   and name HN    )   3.78  1.88  3.22
assign (resid    8   and name HB+   ) (resid   69   and name HN    )   2.98  1.08  2.32


assign (resid    7  and name HA    ) (resid   70  and name HA    )   2.28  0.38  0.42
assign (resid    7  and name HD1+  ) (resid   70  and name HN    )   3.47  1.57  2.53 
assign (resid    8  and name HN    ) (resid   70  and name HN    )   4.12  2.22  0.88
assign (resid   58  and name HG2+  ) (resid   70  and name HN    )   3.30  1.40  1.00
assign (resid   69  and name HA    ) (resid   70  and name HN    )   2.53  0.63  0.17
assign (resid   69  and name HB+   ) (resid   70  and name HN    )   2.71  0.81  1.59
assign (resid   69  and name HN    ) (resid   70  and name HN    )   3.75  1.85  1.25
assign (resid   70  and name HA    ) (resid   70  and name HN    )   2.93  1.03  0.37
assign (resid   70  and name HB    ) (resid   70  and name HN    )   2.49  0.59  0.21
assign (resid   70  and name HG*   ) (resid   70  and name HN    )   2.42  0.52  1.98
assign (resid   71  and name HA    ) (resid   70  and name HN    )   4.34  2.44  0.66

assign (resid    5  and name HA    ) (resid   71  and name HN    )   3.81  1.91  1.19
assign (resid    6  and name HN    ) (resid   71  and name HN    )   3.30  1.40  1.70  
assign (resid    7  and name HA    ) (resid   71  and name HN    )   2.90  1.00  0.40
assign (resid    7  and name HD1+  ) (resid   71  and name HN    )   3.21  1.31  1.09 
assign (resid    7   and name HG    ) (resid   71   and name HN    )   4.63  2.73  0.37
assign (resid    7   and name HN    ) (resid   71   and name HN    )   4.42  2.52  0.58
assign (resid    8  and name HN    ) (resid   71  and name HN    )   3.48  1.58  1.52
assign (resid   70  and name HA    ) (resid   71  and name HN    )   2.40  0.50  0.30
assign (resid   70  and name HB    ) (resid   71  and name HN    )   3.46  1.56  1.54
assign (resid   70  and name HG*   ) (resid   71  and name HN    )   2.58  0.68  2.52
assign (resid   70  and name HN    ) (resid   71  and name HN    )   3.30  1.40  1.70  
assign (resid   71  and name HA    ) (resid   71  and name HN    )   2.90  1.00  0.40
assign (resid   71  and name HB+   ) (resid   71  and name HN    )   2.80  0.90  1.10
assign (resid   71  and name HD+   ) (resid   71  and name HN    )   2.77  0.87  1.53
assign (resid   71  and name HG+   ) (resid   71  and name HN    )   3.13  1.23  1.17
assign (resid   72  and name HN    ) (resid   71  and name HN    )   3.51  1.61  1.49

assign (resid    5  and name HA    ) (resid   72  and name HN    )   3.67  1.77  1.33
assign (resid   70  and name HA    ) (resid   72  and name HN    )   3.93  2.03  1.07
assign (resid   70  and name HG*   ) (resid   72  and name HN    )   3.35  1.45  4.05
assign (resid   71  and name HA    ) (resid   72  and name HN    )   2.26  0.36  0.44
assign (resid   71  and name HB+   ) (resid   72  and name HN    )   3.39  1.49  2.61
assign (resid   71  and name HG+   ) (resid   72  and name HN    )   3.07  1.17  1.23
assign (resid   71  and name HD+   ) (resid   72  and name HN    )   3.52  1.62  2.48
assign (resid   71  and name HN    ) (resid   72  and name HN    )   3.39  1.49  1.61
assign (resid   72  and name HA    ) (resid   72  and name HN    )   2.80  0.90  0.50
assign (resid   72  and name HB+   ) (resid   72  and name HN    )   2.95  1.05  0.95
assign (resid   72  and name HB+   ) (resid   72  and name HN    )   3.46  1.56  2.14
assign (resid   72  and name HG+   ) (resid   72  and name HN    )   3.04  1.14  1.26


assign (resid   33  and name O     ) (resid   46  and name N     )   2.85  0.45  0.45
assign (resid   35  and name O     ) (resid   44  and name N     )   2.85  0.45  0.45
assign (resid   37  and name O     ) (resid   42  and name N     )   2.85  0.45  0.45
assign (resid    3  and name O     ) (resid   47  and name N     )   2.85  0.45  0.45
assign (resid   42  and name O     ) (resid   37  and name N     )   2.85  0.45  0.45
assign (resid   43  and name O     ) (resid    7  and name N     )   2.85  0.45  0.45
assign (resid   44  and name O     ) (resid   35  and name N     )   2.85  0.45  0.45
assign (resid   45  and name O     ) (resid    5  and name N     )   2.85  0.45  0.45
assign (resid   46  and name O     ) (resid   33  and name N     )   2.85  0.45  0.45
assign (resid   47  and name O     ) (resid    3  and name N     )   2.85  0.45  0.45
assign (resid    5  and name O     ) (resid   45  and name N     )   2.85  0.45  0.45
assign (resid   69  and name O     ) (resid    8  and name N     )   2.85  0.45  0.45
assign (resid    6  and name O     ) (resid   71  and name N     )   2.85  0.45  0.45
assign (resid    7  and name O     ) (resid   43  and name N     )   2.85  0.45  0.45
assign (resid    8  and name O     ) (resid   69  and name N     )   2.85  0.45  0.45
assign (resid    1  and name O     ) (resid   49  and name N     )   2.85  0.45  0.45
assign (resid   19  and name O     ) (resid   23  and name N     )   2.85  0.45  0.45
assign (resid   20  and name O     ) (resid   24  and name N     )   2.85  0.45  0.45
assign (resid   21  and name O     ) (resid   25  and name N     )   2.85  0.45  0.45
assign (resid   22  and name O     ) (resid   26  and name N     )   2.85  0.45  0.45
assign (resid   23  and name O     ) (resid   27  and name N     )   2.85  0.45  0.45
assign (resid   24  and name O     ) (resid   28  and name N     )   2.85  0.45  0.45
assign (resid   56  and name O     ) (resid   60  and name N     )   2.85  0.45  0.45
assign (resid   57  and name O     ) (resid   61  and name N     )   2.85  0.45  0.45
assign (resid   58  and name O     ) (resid   62  and name N     )   2.85  0.45  0.45
assign (resid   59  and name O     ) (resid   63  and name N     )   2.85  0.45  0.45
assign (resid   60  and name O     ) (resid   64  and name N     )   2.85  0.45  0.45
assign (resid   61  and name O     ) (resid   65  and name N     )   2.85  0.45  0.45

assign (resid   33  and name O     ) (resid   46  and name HN    )   1.90  0.40  0.40
assign (resid   35  and name O     ) (resid   44  and name HN    )   1.90  0.40  0.40
assign (resid   37  and name O     ) (resid   42  and name HN    )   1.90  0.40  0.40
assign (resid    3  and name O     ) (resid   47  and name HN    )   1.90  0.40  0.40
assign (resid   42  and name O     ) (resid   37  and name HN    )   1.90  0.40  0.40
assign (resid   43  and name O     ) (resid    7  and name HN    )   1.90  0.40  0.40
assign (resid   44  and name O     ) (resid   35  and name HN    )   1.90  0.40  0.40
assign (resid   45  and name O     ) (resid    5  and name HN    )   1.90  0.40  0.40
assign (resid   46  and name O     ) (resid   33  and name HN    )   1.90  0.40  0.40
assign (resid   47  and name O     ) (resid    3  and name HN    )   1.90  0.40  0.40
assign (resid    5  and name O     ) (resid   45  and name HN    )   1.90  0.40  0.40
assign (resid   69  and name O     ) (resid    8  and name HN    )   1.90  0.40  0.40
assign (resid    6  and name O     ) (resid   71  and name HN    )   1.90  0.40  0.40
assign (resid    7  and name O     ) (resid   43  and name HN    )   1.90  0.40  0.40
assign (resid    8  and name O     ) (resid   69  and name HN    )   1.90  0.40  0.40
assign (resid    1  and name O     ) (resid   49  and name HN    )   1.90  0.40  0.40
assign (resid   19  and name O     ) (resid   23  and name HN    )   1.90  0.40  0.40
assign (resid   20  and name O     ) (resid   24  and name HN    )   1.90  0.40  0.40
assign (resid   21  and name O     ) (resid   25  and name HN    )   1.90  0.40  0.40
assign (resid   22  and name O     ) (resid   26  and name HN    )   1.90  0.40  0.40
assign (resid   23  and name O     ) (resid   27  and name HN    )   1.90  0.40  0.40
assign (resid   24  and name O     ) (resid   28  and name HN    )   1.90  0.40  0.40
assign (resid   56  and name O     ) (resid   60  and name HN    )   1.90  0.40  0.40
assign (resid   57  and name O     ) (resid   61  and name HN    )   1.90  0.40  0.40
assign (resid   58  and name O     ) (resid   62  and name HN    )   1.90  0.40  0.40
assign (resid   59  and name O     ) (resid   63  and name HN    )   1.90  0.40  0.40
assign (resid   60  and name O     ) (resid   64  and name HN    )   1.90  0.40  0.40
assign (resid   61  and name O     ) (resid   65  and name HN    )   1.90  0.40  0.40

 
assign (segid   MER  and resid    10   and name C     )
       (segid   MER  and resid    11   and name N     )
       (segid   MER  and resid    11   and name CA    )
       (segid   MER  and resid    11   and name C     )   1  -90.00    90.00 2

assign (segid   MER  and resid    11   and name C     )
       (segid   MER  and resid    12   and name N     )
       (segid   MER  and resid    12   and name CA    )
       (segid   MER  and resid    12   and name C     )   1  -90.00    90.00 2
 
assign (segid   MER  and resid    12   and name C     )
       (segid   MER  and resid    13   and name N     )
       (segid   MER  and resid    13   and name CA    )
       (segid   MER  and resid    13   and name C     )   1  -90.00    90.00 2

assign (segid   MER  and resid    13   and name C     )
       (segid   MER  and resid    14   and name N     )
       (segid   MER  and resid    14   and name CA    )
       (segid   MER  and resid    14   and name C     )   1  -90.00    90.00 2

assign (segid   MER  and resid    14   and name C     )
       (segid   MER  and resid    15   and name N     )
       (segid   MER  and resid    15   and name CA    )
       (segid   MER  and resid    15   and name C     )   1  -90.00    90.00 2
assign 
      (segid   MER  and resid    15   and name C     )
      (segid   MER  and resid    16   and name N     )
      (segid   MER  and resid    16   and name CA    )
      (segid   MER  and resid    16   and name C     )   1  -90.00    90.00 2
assign 
      (segid   MER  and resid    16   and name C     )
      (segid   MER  and resid    17   and name N     )
      (segid   MER  and resid    17   and name CA    )
      (segid   MER  and resid    17   and name C     )   1  -90.00    90.00 2
assign 
      (segid   MER  and resid   26   and name C     )
      (segid   MER  and resid   27   and name N     )
      (segid   MER  and resid   27   and name CA    )
      (segid   MER  and resid   27   and name C     )   1   -90.00    90.00 2
assign 
      (segid   MER  and resid   27   and name C     )
      (segid   MER  and resid   28   and name N     )
      (segid   MER  and resid   28   and name CA    )
      (segid   MER  and resid   28   and name C     )   1   -90.00    90.00 2
assign 
      (segid   MER  and resid   28   and name C     )
      (segid   MER  and resid   29   and name N     )
      (segid   MER  and resid   29   and name CA    )
      (segid   MER  and resid   29   and name C     )   1   -170.00    50.00 2
assign 
      (segid   MER  and resid   30   and name C     )
      (segid   MER  and resid   31   and name N     )
      (segid   MER  and resid   31   and name CA    )
      (segid   MER  and resid   31   and name C     )   1   -90.00    90.00 2
assign 
      (segid   MER  and resid   22   and name C     )
      (segid   MER  and resid   23   and name N     )
      (segid   MER  and resid   23   and name CA    )
      (segid   MER  and resid   23   and name C     )   1   -90.00    90.00 2
assign 
      (segid   MER  and resid   23   and name C     )
      (segid   MER  and resid   24   and name N     )
      (segid   MER  and resid   24   and name CA    )
      (segid   MER  and resid   24   and name C     )   1   -90.00    90.00 2
assign 
      (segid   MER  and resid   24   and name C     )
      (segid   MER  and resid   25   and name N     )
      (segid   MER  and resid   25   and name CA    )
      (segid   MER  and resid   25   and name C     )   1   -90.00    90.00 2
assign 
      (segid   MER  and resid   25   and name C     )
      (segid   MER  and resid   26   and name N     )
      (segid   MER  and resid   26   and name CA    )
      (segid   MER  and resid   26   and name C     )   1   -90.00    90.00 2
assign 
      (segid   MER  and resid   31   and name C     )
      (segid   MER  and resid   32   and name N     )
      (segid   MER  and resid   32   and name CA    )
      (segid   MER  and resid   32   and name C     )   1  -90.00    90.00 2
assign 
      (segid   MER  and resid   32   and name C     )
      (segid   MER  and resid   33   and name N     )
      (segid   MER  and resid   33   and name CA    )
      (segid   MER  and resid   33   and name C     )   1  -90.00    90.00 2
assign 
      (segid   MER  and resid   37   and name C     )
      (segid   MER  and resid   38   and name N     )
      (segid   MER  and resid   38   and name CA    )
      (segid   MER  and resid   38   and name C     )   1  -90.00    90.00 2
assign 
      (segid   MER  and resid   38   and name C     )
      (segid   MER  and resid   39   and name N     )
      (segid   MER  and resid   39   and name CA    )
      (segid   MER  and resid   39   and name C     )   1  -90.00    90.00 2
assign 
      (segid   MER  and resid   39   and name C     )
      (segid   MER  and resid   40   and name N     )
      (segid   MER  and resid   40   and name CA    )
      (segid   MER  and resid   40   and name C     )   1  -90.00    90.00 2
assign 
      (segid   MER  and resid   48   and name C     )
      (segid   MER  and resid   49   and name N     )
      (segid   MER  and resid   49   and name CA    )
      (segid   MER  and resid   49   and name C     )   1  -90.00    90.00 2
assign 
      (segid   MER  and resid   49   and name C     )
      (segid   MER  and resid   50   and name N     )
      (segid   MER  and resid   50   and name CA    )
      (segid   MER  and resid   50   and name C     )   1  -90.00    90.00 2
assign 
      (segid   MER  and resid   50   and name C     )
      (segid   MER  and resid   51   and name N     )
      (segid   MER  and resid   51   and name CA    )
      (segid   MER  and resid   51   and name C     )   1  -90.00    90.00 2
assign 
      (segid   MER  and resid   51   and name C     )
      (segid   MER  and resid   52   and name N     )
      (segid   MER  and resid   52   and name CA    )
      (segid   MER  and resid   52   and name C     )   1  -90.00    90.00 2
assign 
      (segid   MER  and resid   52   and name C     )
      (segid   MER  and resid   53   and name N     )
      (segid   MER  and resid   53   and name CA    )
      (segid   MER  and resid   53   and name C     )   1  -90.00    90.00 2
assign 
      (segid   MER  and resid   54   and name C     )
      (segid   MER  and resid   55   and name N     )
      (segid   MER  and resid   55   and name CA    )
      (segid   MER  and resid   55   and name C     )   1  -90.00    90.00 2
assign 
      (segid   MER  and resid   55   and name C     )
      (segid   MER  and resid   56   and name N     )
      (segid   MER  and resid   56   and name CA    )
      (segid   MER  and resid   56   and name C     )   1  -90.00    90.00 2
assign 
      (segid   MER  and resid   57   and name C     )
      (segid   MER  and resid   58   and name N     )
      (segid   MER  and resid   58   and name CA    )
      (segid   MER  and resid   58   and name C     )   1   -90.00    90.00 2
assign 
      (segid   MER  and resid   63   and name C     )
      (segid   MER  and resid   64   and name N     )
      (segid   MER  and resid   64   and name CA    )
      (segid   MER  and resid   64   and name C     )   1   -90.00    90.00 2
assign 
      (segid   MER  and resid   65   and name C     )
      (segid   MER  and resid   66   and name N     )
      (segid   MER  and resid   66   and name CA    )
      (segid   MER  and resid   66   and name C     )   1   -90.00    90.00 2


assign 
      (segid   MER  and resid    2   and name C     )
      (segid   MER  and resid    3   and name N     )
      (segid   MER  and resid    3   and name CA    )
      (segid   MER  and resid    3   and name C     )   1  -140.00    30.00 2

assign
      (segid   MER  and resid    3   and name C     )
      (segid   MER  and resid    4   and name N     )
      (segid   MER  and resid    4   and name CA    )
      (segid   MER  and resid    4   and name C     )   1  -140.00    30.00 2

assign 
      (segid   MER  and resid    4   and name C     )
      (segid   MER  and resid    5   and name N     )
      (segid   MER  and resid    5   and name CA    )
      (segid   MER  and resid    5   and name C     )   1  -140.00    30.00 2

assign 
      (segid   MER  and resid    5   and name C     )
      (segid   MER  and resid    6   and name N     )
      (segid   MER  and resid    6   and name CA    )
      (segid   MER  and resid    6   and name C     )   1  -140.00    30.00 2

assign 
      (segid   MER  and resid    6   and name C     )
      (segid   MER  and resid    7   and name N     )
      (segid   MER  and resid    7   and name CA    )
      (segid   MER  and resid    7   and name C     )   1  -140.00    30.00 2
assign 
      (segid   MER  and resid    7   and name C     )
      (segid   MER  and resid    8   and name N     )
      (segid   MER  and resid    8   and name CA    )
      (segid   MER  and resid    8   and name C     )   1  -140.00    30.00 2
assign 
      (segid   MER  and resid    8   and name C     )
      (segid   MER  and resid    9   and name N     )
      (segid   MER  and resid    9   and name CA    )
      (segid   MER  and resid    9   and name C     )   1  -140.00    30.00 2
assign 
      (segid   MER  and resid   18   and name C     )
      (segid   MER  and resid   19   and name N     )
      (segid   MER  and resid   19   and name CA    )
      (segid   MER  and resid   19   and name C     )   1   -60.00    30.00 2
assign 
      (segid   MER  and resid   19   and name C     )
      (segid   MER  and resid   20   and name N     )
      (segid   MER  and resid   20   and name CA    )
      (segid   MER  and resid   20   and name C     )   1   -60.00    30.00 2
assign 
      (segid   MER  and resid   20   and name C     )
      (segid   MER  and resid   21   and name N     )
      (segid   MER  and resid   21   and name CA    )
      (segid   MER  and resid   21   and name C     )   1   -60.00    30.00 2
assign 
      (segid   MER  and resid   21   and name C     )
      (segid   MER  and resid   22   and name N     )
      (segid   MER  and resid   22   and name CA    )
      (segid   MER  and resid   22   and name C     )   1   -60.00    30.00 2
assign 
      (segid   MER  and resid   22   and name C     )
      (segid   MER  and resid   23   and name N     )
      (segid   MER  and resid   23   and name CA    )
      (segid   MER  and resid   23   and name C     )   1   -60.00    30.00 2
assign 
      (segid   MER  and resid   23   and name C     )
      (segid   MER  and resid   24   and name N     )
      (segid   MER  and resid   24   and name CA    )
      (segid   MER  and resid   24   and name C     )   1   -60.00    30.00 2
assign 
      (segid   MER  and resid   24   and name C     )
      (segid   MER  and resid   25   and name N     )
      (segid   MER  and resid   25   and name CA    )
      (segid   MER  and resid   25   and name C     )   1   -60.00    30.00 2
assign 
      (segid   MER  and resid   25   and name C     )
      (segid   MER  and resid   26   and name N     )
      (segid   MER  and resid   26   and name CA    )
      (segid   MER  and resid   26   and name C     )   1   -60.00    30.00 2
assign 
      (segid   MER  and resid   31   and name C     )
      (segid   MER  and resid   32   and name N     )
      (segid   MER  and resid   32   and name CA    )
      (segid   MER  and resid   32   and name C     )   1  -140.00    30.00 2
assign 
      (segid   MER  and resid   33   and name C     )
      (segid   MER  and resid   34   and name N     )
      (segid   MER  and resid   34   and name CA    )
      (segid   MER  and resid   34   and name C     )   1  -140.00    30.00 2
assign 
      (segid   MER  and resid   34   and name C     )
      (segid   MER  and resid   35   and name N     )
      (segid   MER  and resid   35   and name CA    )
      (segid   MER  and resid   35   and name C     )   1  -140.00    30.00 2
assign 
      (segid   MER  and resid   35   and name C     )
      (segid   MER  and resid   36   and name N     )
      (segid   MER  and resid   36   and name CA    )
      (segid   MER  and resid   36   and name C     )   1  -140.00    30.00 2
assign 
      (segid   MER  and resid   36   and name C     )
      (segid   MER  and resid   37   and name N     )
      (segid   MER  and resid   37   and name CA    )
      (segid   MER  and resid   37   and name C     )   1  -140.00    30.00 2
assign 
      (segid   MER  and resid   41   and name C     )
      (segid   MER  and resid   42   and name N     )
      (segid   MER  and resid   42   and name CA    )
      (segid   MER  and resid   42   and name C     )   1  -140.00    30.00 2
assign 
      (segid   MER  and resid   42   and name C     )
      (segid   MER  and resid   43   and name N     )
      (segid   MER  and resid   43   and name CA    )
      (segid   MER  and resid   43   and name C     )   1  -140.00    30.00 2
assign 
      (segid   MER  and resid   43   and name C     )
      (segid   MER  and resid   44   and name N     )
      (segid   MER  and resid   44   and name CA    )
      (segid   MER  and resid   44   and name C     )   1  -140.00    30.00 2
assign 
      (segid   MER  and resid   44   and name C     )
      (segid   MER  and resid   45   and name N     )
      (segid   MER  and resid   45   and name CA    )
      (segid   MER  and resid   45   and name C     )   1  -140.00    30.00 2
assign 
      (segid   MER  and resid   45   and name C     )
      (segid   MER  and resid   46   and name N     )
      (segid   MER  and resid   46   and name CA    )
      (segid   MER  and resid   46   and name C     )   1  -140.00    30.00 2
assign 
      (segid   MER  and resid   46   and name C     )
      (segid   MER  and resid   47   and name N     )
      (segid   MER  and resid   47   and name CA    )
      (segid   MER  and resid   47   and name C     )   1  -140.00    30.00 2
assign 
      (segid   MER  and resid   47   and name C     )
      (segid   MER  and resid   48   and name N     )
      (segid   MER  and resid   48   and name CA    )
      (segid   MER  and resid   48   and name C     )   1  -140.00    30.00 2
assign 
      (segid   MER  and resid   53   and name C     )
      (segid   MER  and resid   54   and name N     )
      (segid   MER  and resid   54   and name CA    )
      (segid   MER  and resid   54   and name C     )   1   -60.00    30.00 2
assign 
      (segid   MER  and resid   56   and name C     )
      (segid   MER  and resid   57   and name N     )
      (segid   MER  and resid   57   and name CA    )
      (segid   MER  and resid   57   and name C     )   1   -60.00    30.00 2
assign 
      (segid   MER  and resid   58   and name C     )
      (segid   MER  and resid   59   and name N     )
      (segid   MER  and resid   59   and name CA    )
      (segid   MER  and resid   59   and name C     )   1   -60.00    30.00 2
assign 
      (segid   MER  and resid   59   and name C     )
      (segid   MER  and resid   60   and name N     )
      (segid   MER  and resid   60   and name CA    )
      (segid   MER  and resid   60   and name C     )   1   -60.00    30.00 2
assign 
      (segid   MER  and resid   60   and name C     )
      (segid   MER  and resid   61   and name N     )
      (segid   MER  and resid   61   and name CA    )
      (segid   MER  and resid   61   and name C     )   1   -60.00    30.00 2
assign 
      (segid   MER  and resid   61   and name C     )
      (segid   MER  and resid   62   and name N     )
      (segid   MER  and resid   62   and name CA    )
      (segid   MER  and resid   62   and name C     )   1   -60.00    30.00 2
assign 
      (segid   MER  and resid   62   and name C     )
      (segid   MER  and resid   63   and name N     )
      (segid   MER  and resid   63   and name CA    )
      (segid   MER  and resid   63   and name C     )   1   -60.00    30.00 2
assign 
      (segid   MER  and resid   67   and name C     )
      (segid   MER  and resid   68   and name N     )
      (segid   MER  and resid   68   and name CA    )
      (segid   MER  and resid   68   and name C     )   1  -140.00    30.00 2
assign 
      (segid   MER  and resid   68   and name C     )
      (segid   MER  and resid   69   and name N     )
      (segid   MER  and resid   69   and name CA    )
      (segid   MER  and resid   69   and name C     )   1  -140.00    30.00 2
assign 
      (segid   MER  and resid   29   and name C     )
      (segid   MER  and resid   30   and name N     )
      (segid   MER  and resid   30   and name CA    )
      (segid   MER  and resid   30   and name C     )   1  -100.00    50.00 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1           HT1      ALA   1 -18.232   2.469  -0.468
    2   2H    ALA   1           HT3      ALA   1 -18.656   2.267   1.162
    3   3H    ALA   1           HT2      ALA   1 -17.437   3.370   0.734
    4    HA   ALA   1           HA       ALA   1 -16.330   1.459   1.581
    5   1HB   ALA   1           HB3      ALA   1 -18.248   0.054  -0.296
    6   2HB   ALA   1           HB2      ALA   1 -16.955  -0.764   0.581
    7   3HB   ALA   1           HB1      ALA   1 -18.272   0.006   1.466
    8    H    THR   2           HN       THR   2 -15.406   3.316  -0.144
    9    HA   THR   2           HA       THR   2 -13.706   1.828  -1.965
   10    HB   THR   2           HB       THR   2 -14.621   3.836  -3.580
   11    HG1  THR   2           HG1      THR   2 -16.440   4.428  -2.716
   12   1HG2  THR   2          HG21      THR   2 -14.670   0.997  -3.473
   13   2HG2  THR   2          HG23      THR   2 -16.255   1.536  -4.028
   14   3HG2  THR   2          HG22      THR   2 -14.802   2.028  -4.898
   15    H    GLN   3           HN       GLN   3 -12.038   2.721  -0.622
   16    HA   GLN   3           HA       GLN   3 -11.846   5.719  -0.683
   17   1HB   GLN   3           HB2      GLN   3 -10.443   3.957   1.311
   18   2HB   GLN   3           HB1      GLN   3 -10.983   5.624   1.494
   19   1HG   GLN   3           HG2      GLN   3 -13.350   4.306   0.991
   20   2HG   GLN   3           HG1      GLN   3 -12.458   3.119   1.944
   21   1HE2  GLN   3          HE22      GLN   3 -14.069   6.282   3.807
   22   2HE2  GLN   3          HE21      GLN   3 -14.436   5.864   2.203
   23    H    THR   4           HN       THR   4  -9.668   6.607  -0.736
   24    HA   THR   4           HA       THR   4  -7.577   4.815  -1.904
   25    HB   THR   4           HB       THR   4  -8.573   7.494  -2.943
   26    HG1  THR   4           HG1      THR   4  -9.933   5.981  -3.669
   27   1HG2  THR   4          HG23      THR   4  -6.319   5.693  -3.865
   28   2HG2  THR   4          HG22      THR   4  -6.960   7.036  -4.812
   29   3HG2  THR   4          HG21      THR   4  -6.178   7.345  -3.262
   30    H    VAL   5           HN       VAL   5  -5.749   5.105  -0.680
   31    HA   VAL   5           HA       VAL   5  -5.218   7.823   0.487
   32    HB   VAL   5           HB       VAL   5  -4.468   6.599   2.523
   33   1HG1  VAL   5          HG13      VAL   5  -7.012   7.234   1.784
   34   2HG1  VAL   5          HG12      VAL   5  -7.192   5.511   2.112
   35   3HG1  VAL   5          HG11      VAL   5  -6.587   6.589   3.369
   36   1HG2  VAL   5          HG23      VAL   5  -4.381   4.416   0.827
   37   2HG2  VAL   5          HG22      VAL   5  -4.299   4.335   2.586
   38   3HG2  VAL   5          HG21      VAL   5  -5.844   4.113   1.764
   39    H    THR   6           HN       THR   6  -2.866   7.844   1.306
   40    HA   THR   6           HA       THR   6  -1.116   6.631  -0.772
   41    HB   THR   6           HB       THR   6   0.356   8.552   0.384
   42    HG1  THR   6           HG1      THR   6  -2.270   9.526   0.704
   43   1HG2  THR   6          HG21      THR   6  -1.911   8.959  -1.572
   44   2HG2  THR   6          HG23      THR   6  -0.655  10.160  -1.269
   45   3HG2  THR   6          HG22      THR   6  -0.230   8.592  -1.955
   46    H    LEU   7           HN       LEU   7   1.070   5.911   0.149
   47    HA   LEU   7           HA       LEU   7   0.808   5.160   3.030
   48   1HB   LEU   7           HB2      LEU   7   0.705   3.506   0.667
   49   2HB   LEU   7           HB1      LEU   7   2.090   3.046   1.657
   50    HG   LEU   7           HG       LEU   7   0.683   2.779   3.599
   51   1HD1  LEU   7          HD11      LEU   7  -1.312   4.135   1.850
   52   2HD1  LEU   7          HD13      LEU   7  -1.896   2.988   3.054
   53   3HD1  LEU   7          HD12      LEU   7  -0.956   4.389   3.553
   54   1HD2  LEU   7          HD22      LEU   7   0.278   1.298   1.152
   55   2HD2  LEU   7          HD21      LEU   7   0.255   0.703   2.812
   56   3HD2  LEU   7          HD23      LEU   7  -1.222   1.332   2.080
   57    H    ALA   8           HN       ALA   8   2.687   5.113   4.172
   58    HA   ALA   8           HA       ALA   8   5.189   5.990   2.748
   59   1HB   ALA   8           HB2      ALA   8   3.773   6.767   5.227
   60   2HB   ALA   8           HB1      ALA   8   5.518   6.583   5.415
   61   3HB   ALA   8           HB3      ALA   8   4.873   7.713   4.224
   62    H    VAL   9           HN       VAL   9   6.149   3.940   2.399
   63    HA   VAL   9           HA       VAL   9   6.420   2.166   4.803
   64    HB   VAL   9           HB       VAL   9   5.208   1.258   2.891
   65   1HG1  VAL   9          HG11      VAL   9   7.438   2.528   1.442
   66   2HG1  VAL   9          HG13      VAL   9   7.014   0.920   0.853
   67   3HG1  VAL   9          HG12      VAL   9   5.792   2.191   0.905
   68   1HG2  VAL   9          HG23      VAL   9   7.499   0.111   4.069
   69   2HG2  VAL   9          HG22      VAL   9   6.180  -0.737   3.261
   70   3HG2  VAL   9          HG21      VAL   9   7.610  -0.254   2.348
   71    HA   PRO  10           HA       PRO  10  10.703   3.807   3.998
   72   1HB   PRO  10           HB2      PRO  10  11.168   3.827   6.793
   73   2HB   PRO  10           HB1      PRO  10  10.827   5.223   5.767
   74   1HG   PRO  10           HG2      PRO  10   9.106   3.954   7.738
   75   2HG   PRO  10           HG1      PRO  10   8.865   5.476   6.874
   76   1HD   PRO  10           HD2      PRO  10   7.499   2.995   6.435
   77   2HD   PRO  10           HD1      PRO  10   7.347   4.495   5.488
   78    H    GLY  11           HN       GLY  11   9.281   0.999   5.223
   79   1HA   GLY  11           HA2      GLY  11  11.250  -0.430   6.563
   80   2HA   GLY  11           HA1      GLY  11  10.142  -1.182   5.415
   81    H    MET  12           HN       MET  12  11.254   0.544   3.200
   82    HA   MET  12           HA       MET  12  14.027  -0.502   2.957
   83   1HB   MET  12           HB2      MET  12  13.245  -1.452   0.670
   84   2HB   MET  12           HB1      MET  12  12.808  -2.352   2.120
   85   1HG   MET  12           HG2      MET  12  10.817  -2.213   0.803
   86   2HG   MET  12           HG1      MET  12  10.613  -1.049   2.110
   87   1HE   MET  12           HE2      MET  12   9.270   0.279   1.658
   88   2HE   MET  12           HE1      MET  12   9.731   1.832   0.966
   89   3HE   MET  12           HE3      MET  12   8.697   0.727   0.054
   90    H    THR  13           HN       THR  13  14.412   0.037   0.247
   91    HA   THR  13           HA       THR  13  13.295   2.521  -0.667
   92    HB   THR  13           HB       THR  13  14.353   3.370   1.367
   93    HG1  THR  13           HG1      THR  13  14.653   4.356  -0.908
   94   1HG2  THR  13          HG21      THR  13  16.540   1.622   0.423
   95   2HG2  THR  13          HG23      THR  13  17.056   3.177   1.077
   96   3HG2  THR  13          HG22      THR  13  16.092   2.080   2.066
   97    H    CYS  14           HN       CYS  14  13.672   0.611  -2.375
   98    HA   CYS  14           HA       CYS  14  15.820   1.503  -4.119
   99   1HB   CYS  14           HB2      CYS  14  17.429   0.026  -3.516
  100   2HB   CYS  14           HB1      CYS  14  16.435  -0.386  -2.128
  101    H    ALA  15           HN       ALA  15  15.890  -0.180  -6.088
  102    HA   ALA  15           HA       ALA  15  13.125  -0.449  -7.002
  103   1HB   ALA  15           HB1      ALA  15  15.834  -1.197  -8.150
  104   2HB   ALA  15           HB3      ALA  15  14.321  -1.306  -9.050
  105   3HB   ALA  15           HB2      ALA  15  14.908   0.263  -8.498
  106    H    ALA  16           HN       ALA  16  12.594  -2.054  -5.165
  107    HA   ALA  16           HA       ALA  16  12.430  -4.717  -6.191
  108   1HB   ALA  16           HB3      ALA  16  14.934  -3.968  -5.120
  109   2HB   ALA  16           HB2      ALA  16  14.192  -5.027  -3.920
  110   3HB   ALA  16           HB1      ALA  16  14.416  -5.591  -5.576
  111    H    CYS  17           HN       CYS  17  12.861  -3.042  -3.025
  112    HA   CYS  17           HA       CYS  17  10.801  -4.783  -1.823
  113   1HB   CYS  17           HB2      CYS  17  12.282  -2.459  -0.580
  114   2HB   CYS  17           HB1      CYS  17  11.576  -3.854   0.234
  115    HA   PRO  18           HA       PRO  18   8.641  -0.524  -1.308
  116   1HB   PRO  18           HB2      PRO  18   9.295   1.202  -3.447
  117   2HB   PRO  18           HB1      PRO  18   9.773   1.390  -1.763
  118   1HG   PRO  18           HG2      PRO  18  11.418   0.615  -4.037
  119   2HG   PRO  18           HG1      PRO  18  11.916   1.066  -2.405
  120   1HD   PRO  18           HD2      PRO  18  11.914  -1.550  -3.554
  121   2HD   PRO  18           HD1      PRO  18  12.270  -1.132  -1.861
  122    H    ILE  19           HN       ILE  19   9.594  -1.478  -4.599
  123    HA   ILE  19           HA       ILE  19   7.030  -1.191  -5.855
  124    HB   ILE  19           HB       ILE  19   9.443  -2.978  -6.281
  125   1HG1  ILE  19          HG12      ILE  19   8.698  -1.042  -8.342
  126   2HG1  ILE  19          HG11      ILE  19   8.977  -0.279  -6.776
  127   1HG2  ILE  19          HG22      ILE  19   7.319  -4.028  -7.153
  128   2HG2  ILE  19          HG21      ILE  19   7.113  -2.612  -8.184
  129   3HG2  ILE  19          HG23      ILE  19   8.512  -3.664  -8.400
  130   1HD1  ILE  19          HD13      ILE  19  10.896  -2.256  -8.035
  131   2HD1  ILE  19          HD12      ILE  19  11.051  -0.508  -8.203
  132   3HD1  ILE  19          HD11      ILE  19  11.178  -1.255  -6.611
  133    H    THR  20           HN       THR  20   8.395  -3.631  -3.711
  134    HA   THR  20           HA       THR  20   6.518  -5.753  -4.233
  135    HB   THR  20           HB       THR  20   8.019  -5.066  -1.672
  136    HG1  THR  20           HG1      THR  20   8.989  -6.836  -3.597
  137   1HG2  THR  20          HG21      THR  20   7.045  -7.684  -2.853
  138   2HG2  THR  20          HG23      THR  20   7.991  -7.523  -1.374
  139   3HG2  THR  20          HG22      THR  20   6.358  -6.861  -1.453
  140    H    VAL  21           HN       VAL  21   6.496  -2.833  -2.336
  141    HA   VAL  21           HA       VAL  21   4.285  -3.420  -0.630
  142    HB   VAL  21           HB       VAL  21   5.327  -0.821  -1.813
  143   1HG1  VAL  21          HG11      VAL  21   3.088  -1.428  -0.041
  144   2HG1  VAL  21          HG13      VAL  21   4.236  -0.307   0.692
  145   3HG1  VAL  21          HG12      VAL  21   3.491   0.081  -0.859
  146   1HG2  VAL  21          HG22      VAL  21   6.106  -2.531   0.514
  147   2HG2  VAL  21          HG21      VAL  21   7.126  -1.590  -0.573
  148   3HG2  VAL  21          HG23      VAL  21   6.213  -0.781   0.701
  149    H    LYS  22           HN       LYS  22   4.663  -2.311  -3.937
  150    HA   LYS  22           HA       LYS  22   1.954  -1.513  -4.416
  151   1HB   LYS  22           HB2      LYS  22   4.109  -1.111  -5.788
  152   2HB   LYS  22           HB1      LYS  22   3.885  -2.749  -6.398
  153   1HG   LYS  22           HG2      LYS  22   1.664  -2.155  -7.251
  154   2HG   LYS  22           HG1      LYS  22   1.831  -0.526  -6.597
  155   1HD   LYS  22           HD2      LYS  22   3.275   0.138  -8.244
  156   2HD   LYS  22           HD1      LYS  22   4.028  -1.453  -8.367
  157   1HE   LYS  22           HE2      LYS  22   1.226  -1.527  -9.193
  158   2HE   LYS  22           HE1      LYS  22   2.183  -0.399 -10.173
  159   1HZ   LYS  22           HZ1      LYS  22   3.873  -2.120 -10.425
  160   2HZ   LYS  22           HZ3      LYS  22   2.927  -3.204  -9.527
  161   3HZ   LYS  22           HZ2      LYS  22   2.379  -2.649 -11.036
  162    H    LYS  23           HN       LYS  23   3.769  -4.525  -4.660
  163    HA   LYS  23           HA       LYS  23   1.620  -6.093  -5.746
  164   1HB   LYS  23           HB2      LYS  23   3.769  -6.984  -6.031
  165   2HB   LYS  23           HB1      LYS  23   4.255  -6.566  -4.389
  166   1HG   LYS  23           HG2      LYS  23   2.008  -8.472  -4.536
  167   2HG   LYS  23           HG1      LYS  23   3.525  -9.085  -5.196
  168   1HD   LYS  23           HD2      LYS  23   4.689  -8.463  -3.111
  169   2HD   LYS  23           HD1      LYS  23   3.173  -7.856  -2.446
  170   1HE   LYS  23           HE2      LYS  23   2.458 -10.397  -3.254
  171   2HE   LYS  23           HE1      LYS  23   4.120 -10.632  -2.675
  172   1HZ   LYS  23           HZ1      LYS  23   3.512  -9.296  -0.698
  173   2HZ   LYS  23           HZ3      LYS  23   1.900  -9.293  -1.226
  174   3HZ   LYS  23           HZ2      LYS  23   2.652 -10.757  -0.804
  175    H    ALA  24           HN       ALA  24   2.480  -5.013  -2.589
  176    HA   ALA  24           HA       ALA  24   1.002  -6.914  -1.033
  177   1HB   ALA  24           HB1      ALA  24   2.840  -4.918  -0.618
  178   2HB   ALA  24           HB3      ALA  24   1.367  -4.192   0.025
  179   3HB   ALA  24           HB2      ALA  24   1.944  -5.729   0.667
  180    H    LEU  25           HN       LEU  25   0.286  -3.486  -1.838
  181    HA   LEU  25           HA       LEU  25  -2.383  -3.487  -0.812
  182   1HB   LEU  25           HB2      LEU  25  -1.397  -1.896  -3.188
  183   2HB   LEU  25           HB1      LEU  25  -2.557  -1.401  -1.958
  184    HG   LEU  25           HG       LEU  25  -0.130  -2.113  -0.634
  185   1HD1  LEU  25          HD11      LEU  25   0.666  -1.585  -3.078
  186   2HD1  LEU  25          HD13      LEU  25   0.349   0.089  -2.623
  187   3HD1  LEU  25          HD12      LEU  25   1.524  -0.864  -1.716
  188   1HD2  LEU  25          HD23      LEU  25  -1.947   0.201  -0.968
  189   2HD2  LEU  25          HD22      LEU  25  -1.260  -0.485   0.504
  190   3HD2  LEU  25          HD21      LEU  25  -0.299   0.609  -0.491
  191    H    SER  26           HN       SER  26  -1.027  -4.513  -3.891
  192    HA   SER  26           HA       SER  26  -3.560  -4.738  -5.291
  193   1HB   SER  26           HB2      SER  26  -1.166  -4.539  -6.214
  194   2HB   SER  26           HB1      SER  26  -0.980  -6.242  -5.808
  195    HG   SER  26           HG       SER  26  -2.695  -5.008  -7.674
  196    H    LYS  27           HN       LYS  27  -1.711  -6.705  -3.082
  197    HA   LYS  27           HA       LYS  27  -3.539  -9.003  -3.552
  198   1HB   LYS  27           HB2      LYS  27  -1.394  -9.834  -3.748
  199   2HB   LYS  27           HB1      LYS  27  -0.711  -8.573  -2.728
  200   1HG   LYS  27           HG2      LYS  27  -2.475 -10.700  -1.539
  201   2HG   LYS  27           HG1      LYS  27  -0.765 -11.008  -1.825
  202   1HD   LYS  27           HD2      LYS  27  -0.905  -8.454  -0.623
  203   2HD   LYS  27           HD1      LYS  27  -1.979  -9.498   0.310
  204   1HE   LYS  27           HE2      LYS  27   0.733 -10.540  -0.462
  205   2HE   LYS  27           HE1      LYS  27   0.588  -9.429   0.916
  206   1HZ   LYS  27           HZ3      LYS  27  -1.068 -11.866   0.525
  207   2HZ   LYS  27           HZ2      LYS  27   0.275 -11.773   1.561
  208   3HZ   LYS  27           HZ1      LYS  27  -1.104 -10.827   1.866
  209    H    VAL  28           HN       VAL  28  -3.484  -6.339  -1.679
  210    HA   VAL  28           HA       VAL  28  -3.647  -7.263   1.010
  211    HB   VAL  28           HB       VAL  28  -3.394  -4.911   0.209
  212   1HG1  VAL  28          HG11      VAL  28  -5.242  -5.232  -1.553
  213   2HG1  VAL  28          HG13      VAL  28  -6.378  -4.943  -0.235
  214   3HG1  VAL  28          HG12      VAL  28  -5.216  -3.696  -0.689
  215   1HG2  VAL  28          HG23      VAL  28  -5.754  -5.460   2.035
  216   2HG2  VAL  28          HG22      VAL  28  -4.063  -5.343   2.525
  217   3HG2  VAL  28          HG21      VAL  28  -4.906  -3.917   1.919
  218    H    GLU  29           HN       GLU  29  -6.322  -6.711  -1.352
  219    HA   GLU  29           HA       GLU  29  -7.885  -8.929  -0.698
  220   1HB   GLU  29           HB2      GLU  29  -7.775  -6.877   1.379
  221   2HB   GLU  29           HB1      GLU  29  -9.430  -7.228   0.878
  222   1HG   GLU  29           HG2      GLU  29  -8.173  -9.728   1.024
  223   2HG   GLU  29           HG1      GLU  29  -7.613  -8.850   2.448
  224    H    GLY  30           HN       GLY  30  -9.306  -5.737  -0.242
  225   1HA   GLY  30           HA2      GLY  30 -10.912  -6.146  -2.685
  226   2HA   GLY  30           HA1      GLY  30 -11.206  -4.932  -1.446
  227    H    VAL  31           HN       VAL  31  -7.951  -4.851  -2.213
  228    HA   VAL  31           HA       VAL  31  -7.771  -2.269  -3.191
  229    HB   VAL  31           HB       VAL  31  -5.938  -3.941  -2.693
  230   1HG1  VAL  31          HG12      VAL  31  -7.095  -5.573  -4.419
  231   2HG1  VAL  31          HG11      VAL  31  -6.078  -4.723  -5.583
  232   3HG1  VAL  31          HG13      VAL  31  -5.341  -5.581  -4.230
  233   1HG2  VAL  31          HG22      VAL  31  -6.031  -1.850  -4.705
  234   2HG2  VAL  31          HG21      VAL  31  -4.746  -2.229  -3.557
  235   3HG2  VAL  31          HG23      VAL  31  -4.812  -3.057  -5.112
  236    H    SER  32           HN       SER  32  -8.487  -1.233  -4.949
  237    HA   SER  32           HA       SER  32  -9.489  -2.848  -7.255
  238   1HB   SER  32           HB2      SER  32 -10.658  -0.878  -5.650
  239   2HB   SER  32           HB1      SER  32 -10.241  -0.028  -7.135
  240    HG   SER  32           HG       SER  32 -11.217  -2.116  -8.085
  241    H    LYS  33           HN       LYS  33  -7.140  -0.604  -6.195
  242    HA   LYS  33           HA       LYS  33  -5.891  -0.564  -8.854
  243   1HB   LYS  33           HB2      LYS  33  -7.327   1.182  -9.378
  244   2HB   LYS  33           HB1      LYS  33  -7.463   1.709  -7.706
  245   1HG   LYS  33           HG2      LYS  33  -5.657   3.087  -7.865
  246   2HG   LYS  33           HG1      LYS  33  -4.754   1.946  -8.858
  247   1HD   LYS  33           HD2      LYS  33  -7.011   2.865 -10.362
  248   2HD   LYS  33           HD1      LYS  33  -6.154   4.267  -9.719
  249   1HE   LYS  33           HE2      LYS  33  -5.149   3.692 -11.864
  250   2HE   LYS  33           HE1      LYS  33  -4.002   3.227 -10.592
  251   1HZ   LYS  33           HZ1      LYS  33  -5.972   1.206 -11.113
  252   2HZ   LYS  33           HZ3      LYS  33  -5.029   1.549 -12.480
  253   3HZ   LYS  33           HZ2      LYS  33  -4.280   1.071 -11.033
  254    H    VAL  34           HN       VAL  34  -3.709   0.334  -8.731
  255    HA   VAL  34           HA       VAL  34  -2.715   1.114  -6.044
  256    HB   VAL  34           HB       VAL  34  -1.715  -1.280  -7.618
  257   1HG1  VAL  34          HG11      VAL  34  -0.489   0.326  -5.614
  258   2HG1  VAL  34          HG13      VAL  34  -0.916  -1.212  -4.864
  259   3HG1  VAL  34          HG12      VAL  34   0.104  -1.186  -6.302
  260   1HG2  VAL  34          HG23      VAL  34  -3.468  -1.022  -5.164
  261   2HG2  VAL  34          HG22      VAL  34  -3.832  -1.865  -6.669
  262   3HG2  VAL  34          HG21      VAL  34  -2.616  -2.512  -5.569
  263    H    ASP  35           HN       ASP  35  -0.804   2.321  -6.152
  264    HA   ASP  35           HA       ASP  35   0.821   2.445  -8.589
  265   1HB   ASP  35           HB2      ASP  35  -1.470   4.162  -8.174
  266   2HB   ASP  35           HB1      ASP  35   0.003   5.134  -8.171
  267    H    VAL  36           HN       VAL  36   2.539   2.000  -7.084
  268    HA   VAL  36           HA       VAL  36   2.965   4.057  -4.957
  269    HB   VAL  36           HB       VAL  36   4.119   2.344  -3.792
  270   1HG1  VAL  36          HG11      VAL  36   1.656   1.947  -4.036
  271   2HG1  VAL  36          HG13      VAL  36   2.004   0.881  -5.396
  272   3HG1  VAL  36          HG12      VAL  36   2.578   0.465  -3.782
  273   1HG2  VAL  36          HG21      VAL  36   5.562   1.682  -5.716
  274   2HG2  VAL  36          HG23      VAL  36   4.920   0.286  -4.849
  275   3HG2  VAL  36          HG22      VAL  36   4.209   0.773  -6.388
  276    H    GLY  37           HN       GLY  37   5.640   3.669  -4.526
  277   1HA   GLY  37           HA2      GLY  37   7.032   4.234  -7.085
  278   2HA   GLY  37           HA1      GLY  37   7.140   5.427  -5.784
  279    H    PHE  38           HN       PHE  38   8.708   2.860  -7.108
  280    HA   PHE  38           HA       PHE  38   9.569   1.133  -5.144
  281   1HB   PHE  38           HB2      PHE  38  11.657   1.044  -6.538
  282   2HB   PHE  38           HB1      PHE  38  10.165   0.961  -7.465
  283    HD1  PHE  38           HD1      PHE  38  10.469   4.278  -6.272
  284    HD2  PHE  38           HD2      PHE  38  12.059   1.598  -9.233
  285    HE1  PHE  38           HE1      PHE  38  11.198   6.210  -7.628
  286    HE2  PHE  38           HE2      PHE  38  12.787   3.539 -10.590
  287    HZ   PHE  38           HZ       PHE  38  12.357   5.844  -9.787
  288    H    GLU  39           HN       GLU  39  12.474   2.610  -5.735
  289    HA   GLU  39           HA       GLU  39  13.467   2.994  -3.250
  290   1HB   GLU  39           HB2      GLU  39  14.657   3.441  -5.346
  291   2HB   GLU  39           HB1      GLU  39  13.703   4.904  -5.595
  292   1HG   GLU  39           HG2      GLU  39  14.988   6.106  -4.177
  293   2HG   GLU  39           HG1      GLU  39  14.979   4.828  -2.961
  294    H    LYS  40           HN       LYS  40  11.017   5.095  -4.701
  295    HA   LYS  40           HA       LYS  40  11.250   7.148  -2.613
  296   1HB   LYS  40           HB2      LYS  40  10.152   6.840  -5.210
  297   2HB   LYS  40           HB1      LYS  40   8.801   7.209  -4.138
  298   1HG   LYS  40           HG2      LYS  40   9.761   9.249  -3.435
  299   2HG   LYS  40           HG1      LYS  40  11.363   8.795  -4.017
  300   1HD   LYS  40           HD2      LYS  40  10.865   9.965  -5.886
  301   2HD   LYS  40           HD1      LYS  40   9.780   8.636  -6.295
  302   1HE   LYS  40           HE2      LYS  40   8.449  10.329  -4.394
  303   2HE   LYS  40           HE1      LYS  40   9.060  11.330  -5.726
  304   1HZ   LYS  40           HZ3      LYS  40   7.704   8.738  -6.187
  305   2HZ   LYS  40           HZ2      LYS  40   6.844  10.202  -6.113
  306   3HZ   LYS  40           HZ1      LYS  40   8.024   9.966  -7.313
  307    H    ARG  41           HN       ARG  41  10.616   4.332  -1.792
  308    HA   ARG  41           HA       ARG  41   8.661   3.112  -0.885
  309   1HB   ARG  41           HB2      ARG  41   9.070   3.519   1.434
  310   2HB   ARG  41           HB1      ARG  41  10.590   3.798   0.586
  311   1HG   ARG  41           HG2      ARG  41  10.655   5.861   1.490
  312   2HG   ARG  41           HG1      ARG  41   9.212   6.267   0.561
  313   1HD   ARG  41           HD2      ARG  41   7.849   6.120   2.401
  314   2HD   ARG  41           HD1      ARG  41   8.687   4.683   3.013
  315    HE   ARG  41           HE       ARG  41  10.547   6.742   3.268
  316   1HH1  ARG  41          HH21      ARG  41   7.306   6.127   4.293
  317   2HH1  ARG  41          HH22      ARG  41   7.454   7.053   5.748
  318   1HH2  ARG  41          HH11      ARG  41  10.750   7.953   5.163
  319   2HH2  ARG  41          HH12      ARG  41   9.400   8.085   6.240
  320    H    GLU  42           HN       GLU  42   6.958   4.389  -2.302
  321    HA   GLU  42           HA       GLU  42   5.115   5.671  -0.327
  322   1HB   GLU  42           HB2      GLU  42   6.524   7.402  -1.496
  323   2HB   GLU  42           HB1      GLU  42   5.821   6.874  -3.025
  324   1HG   GLU  42           HG2      GLU  42   3.733   7.743  -2.525
  325   2HG   GLU  42           HG1      GLU  42   3.966   7.580  -0.784
  326    H    ALA  43           HN       ALA  43   3.314   4.335  -0.498
  327    HA   ALA  43           HA       ALA  43   2.579   3.391  -3.242
  328   1HB   ALA  43           HB2      ALA  43   3.156   1.914  -1.132
  329   2HB   ALA  43           HB1      ALA  43   1.488   2.271  -0.685
  330   3HB   ALA  43           HB3      ALA  43   1.836   1.442  -2.202
  331    H    VAL  44           HN       VAL  44   0.849   4.412  -4.146
  332    HA   VAL  44           HA       VAL  44  -1.226   5.566  -2.320
  333    HB   VAL  44           HB       VAL  44   0.247   6.823  -4.237
  334   1HG1  VAL  44          HG11      VAL  44  -0.781   5.331  -6.011
  335   2HG1  VAL  44          HG13      VAL  44  -2.329   6.097  -5.661
  336   3HG1  VAL  44          HG12      VAL  44  -0.990   7.057  -6.291
  337   1HG2  VAL  44          HG21      VAL  44  -1.926   7.412  -2.629
  338   2HG2  VAL  44          HG23      VAL  44  -1.059   8.570  -3.639
  339   3HG2  VAL  44          HG22      VAL  44  -2.521   7.791  -4.246
  340    H    VAL  45           HN       VAL  45  -2.948   4.165  -2.169
  341    HA   VAL  45           HA       VAL  45  -3.625   2.636  -4.669
  342    HB   VAL  45           HB       VAL  45  -3.201   1.766  -1.823
  343   1HG1  VAL  45          HG13      VAL  45  -5.075   0.616  -3.845
  344   2HG1  VAL  45          HG12      VAL  45  -4.091  -0.512  -2.912
  345   3HG1  VAL  45          HG11      VAL  45  -5.177   0.603  -2.084
  346   1HG2  VAL  45          HG22      VAL  45  -1.685   1.669  -4.145
  347   2HG2  VAL  45          HG21      VAL  45  -1.426   0.677  -2.709
  348   3HG2  VAL  45          HG23      VAL  45  -2.383   0.051  -4.052
  349    H    THR  46           HN       THR  46  -5.743   1.997  -4.926
  350    HA   THR  46           HA       THR  46  -7.817   3.455  -3.325
  351    HB   THR  46           HB       THR  46  -7.419   2.749  -6.233
  352    HG1  THR  46           HG1      THR  46  -7.345   4.835  -6.367
  353   1HG2  THR  46          HG22      THR  46  -9.989   2.853  -4.731
  354   2HG2  THR  46          HG21      THR  46  -9.949   3.685  -6.286
  355   3HG2  THR  46          HG23      THR  46  -9.578   1.963  -6.196
  356    H    PHE  47           HN       PHE  47  -9.825   2.131  -3.011
  357    HA   PHE  47           HA       PHE  47  -9.847  -0.652  -3.811
  358   1HB   PHE  47           HB2      PHE  47  -9.342  -1.600  -1.611
  359   2HB   PHE  47           HB1      PHE  47  -8.001  -0.577  -2.133
  360    HD1  PHE  47           HD2      PHE  47 -10.869  -0.870   0.181
  361    HD2  PHE  47           HD1      PHE  47  -7.582   1.596  -1.101
  362    HE1  PHE  47           HE2      PHE  47 -11.132   0.539   2.198
  363    HE2  PHE  47           HE1      PHE  47  -7.853   2.999   0.925
  364    HZ   PHE  47           HZ       PHE  47  -9.624   2.470   2.571
  365    H    ASP  48           HN       ASP  48 -11.439  -1.854  -2.221
  366    HA   ASP  48           HA       ASP  48 -13.791  -0.054  -1.852
  367   1HB   ASP  48           HB2      ASP  48 -13.649  -3.080  -2.075
  368   2HB   ASP  48           HB1      ASP  48 -15.093  -2.077  -2.214
  369    H    ASP  49           HN       ASP  49 -13.841   0.558   0.287
  370    HA   ASP  49           HA       ASP  49 -12.512  -0.746   2.411
  371   1HB   ASP  49           HB2      ASP  49 -13.092   1.373   3.019
  372   2HB   ASP  49           HB1      ASP  49 -14.525   1.372   1.997
  373    H    THR  50           HN       THR  50 -15.357  -1.725   0.770
  374    HA   THR  50           HA       THR  50 -16.853  -2.986   2.837
  375    HB   THR  50           HB       THR  50 -17.469  -2.565   0.419
  376    HG1  THR  50           HG1      THR  50 -18.938  -3.960   0.899
  377   1HG2  THR  50          HG22      THR  50 -15.340  -3.417  -0.533
  378   2HG2  THR  50          HG21      THR  50 -15.792  -5.047  -0.032
  379   3HG2  THR  50          HG23      THR  50 -16.749  -4.201  -1.248
  380    H    LYS  51           HN       LYS  51 -13.958  -4.023   1.078
  381    HA   LYS  51           HA       LYS  51 -13.852  -6.446   2.843
  382   1HB   LYS  51           HB2      LYS  51 -13.647  -6.055  -0.086
  383   2HB   LYS  51           HB1      LYS  51 -12.461  -7.160   0.610
  384   1HG   LYS  51           HG2      LYS  51 -14.903  -7.808   1.851
  385   2HG   LYS  51           HG1      LYS  51 -15.289  -7.585   0.145
  386   1HD   LYS  51           HD2      LYS  51 -12.907  -9.224   1.004
  387   2HD   LYS  51           HD1      LYS  51 -14.517  -9.937   0.894
  388   1HE   LYS  51           HE2      LYS  51 -14.118  -8.427  -1.491
  389   2HE   LYS  51           HE1      LYS  51 -12.672  -9.427  -1.243
  390   1HZ   LYS  51           HZ2      LYS  51 -14.500 -11.164  -0.528
  391   2HZ   LYS  51           HZ1      LYS  51 -15.458 -10.249  -1.592
  392   3HZ   LYS  51           HZ3      LYS  51 -14.037 -10.986  -2.154
  393    H    ALA  52           HN       ALA  52 -12.392  -3.547   2.040
  394    HA   ALA  52           HA       ALA  52  -9.818  -4.421   3.274
  395   1HB   ALA  52           HB3      ALA  52 -10.241  -3.940   0.531
  396   2HB   ALA  52           HB2      ALA  52  -9.419  -2.501   1.136
  397   3HB   ALA  52           HB1      ALA  52  -8.684  -4.090   1.347
  398    H    SER  53           HN       SER  53  -8.463  -2.041   3.194
  399    HA   SER  53           HA       SER  53 -10.001   0.320   3.723
  400   1HB   SER  53           HB2      SER  53 -10.900  -0.922   5.580
  401   2HB   SER  53           HB1      SER  53  -9.301  -1.493   6.048
  402    HG   SER  53           HG       SER  53 -10.262   0.388   7.216
  403    H    VAL  54           HN       VAL  54  -8.591   2.079   4.412
  404    HA   VAL  54           HA       VAL  54  -6.000   2.176   3.497
  405    HB   VAL  54           HB       VAL  54  -5.801   4.090   4.994
  406   1HG1  VAL  54          HG12      VAL  54  -7.592   3.943   3.087
  407   2HG1  VAL  54          HG11      VAL  54  -8.741   3.948   4.425
  408   3HG1  VAL  54          HG13      VAL  54  -7.634   5.303   4.209
  409   1HG2  VAL  54          HG23      VAL  54  -8.016   2.682   6.483
  410   2HG2  VAL  54          HG22      VAL  54  -6.446   3.190   7.104
  411   3HG2  VAL  54          HG21      VAL  54  -7.675   4.396   6.718
  412    H    GLN  55           HN       GLN  55  -7.124   0.932   6.622
  413    HA   GLN  55           HA       GLN  55  -4.530   0.555   7.810
  414   1HB   GLN  55           HB2      GLN  55  -7.093   0.410   8.637
  415   2HB   GLN  55           HB1      GLN  55  -6.792  -1.309   8.379
  416   1HG   GLN  55           HG2      GLN  55  -4.793  -1.178   9.820
  417   2HG   GLN  55           HG1      GLN  55  -5.096   0.540  10.082
  418   1HE2  GLN  55          HE22      GLN  55  -7.272  -0.124  12.751
  419   2HE2  GLN  55          HE21      GLN  55  -6.150   0.921  12.023
  420    H    LYS  56           HN       LYS  56  -6.693  -1.615   5.972
  421    HA   LYS  56           HA       LYS  56  -4.993  -3.910   6.001
  422   1HB   LYS  56           HB2      LYS  56  -6.943  -3.043   3.846
  423   2HB   LYS  56           HB1      LYS  56  -6.506  -4.694   4.290
  424   1HG   LYS  56           HG2      LYS  56  -7.408  -3.338   6.647
  425   2HG   LYS  56           HG1      LYS  56  -8.600  -3.089   5.371
  426   1HD   LYS  56           HD2      LYS  56  -9.144  -5.312   5.254
  427   2HD   LYS  56           HD1      LYS  56  -7.503  -5.839   5.626
  428   1HE   LYS  56           HE2      LYS  56  -8.786  -6.425   7.558
  429   2HE   LYS  56           HE1      LYS  56  -7.959  -4.922   8.013
  430   1HZ   LYS  56           HZ2      LYS  56  -9.892  -3.673   7.266
  431   2HZ   LYS  56           HZ1      LYS  56 -10.694  -5.116   6.862
  432   3HZ   LYS  56           HZ3      LYS  56 -10.331  -4.775   8.483
  433    H    LEU  57           HN       LEU  57  -4.919  -0.962   4.058
  434    HA   LEU  57           HA       LEU  57  -3.280  -2.016   1.911
  435   1HB   LEU  57           HB2      LEU  57  -3.492   0.806   3.016
  436   2HB   LEU  57           HB1      LEU  57  -2.991   0.353   1.389
  437    HG   LEU  57           HG       LEU  57  -5.740  -0.176   2.571
  438   1HD1  LEU  57          HD11      LEU  57  -4.703   2.236   1.731
  439   2HD1  LEU  57          HD13      LEU  57  -5.452   1.619   0.259
  440   3HD1  LEU  57          HD12      LEU  57  -6.415   1.815   1.723
  441   1HD2  LEU  57          HD22      LEU  57  -4.498  -1.541   0.542
  442   2HD2  LEU  57          HD21      LEU  57  -6.243  -1.315   0.660
  443   3HD2  LEU  57          HD23      LEU  57  -5.282  -0.236  -0.350
  444    H    THR  58           HN       THR  58  -2.507   0.038   4.729
  445    HA   THR  58           HA       THR  58   0.338  -0.117   4.495
  446    HB   THR  58           HB       THR  58  -1.115   0.123   7.115
  447    HG1  THR  58           HG1      THR  58  -1.116   2.068   5.053
  448   1HG2  THR  58          HG22      THR  58   1.427   0.462   6.663
  449   2HG2  THR  58          HG21      THR  58   0.931   1.994   5.943
  450   3HG2  THR  58          HG23      THR  58   0.579   1.661   7.639
  451    H    LYS  59           HN       LYS  59  -2.079  -2.306   5.712
  452    HA   LYS  59           HA       LYS  59  -0.230  -3.911   7.313
  453   1HB   LYS  59           HB2      LYS  59  -2.796  -3.509   7.540
  454   2HB   LYS  59           HB1      LYS  59  -2.944  -4.722   6.268
  455   1HG   LYS  59           HG2      LYS  59  -2.674  -6.350   7.788
  456   2HG   LYS  59           HG1      LYS  59  -1.083  -5.703   8.191
  457   1HD   LYS  59           HD2      LYS  59  -3.676  -4.647   9.350
  458   2HD   LYS  59           HD1      LYS  59  -2.649  -5.832  10.157
  459   1HE   LYS  59           HE2      LYS  59  -0.856  -3.824   9.439
  460   2HE   LYS  59           HE1      LYS  59  -2.302  -2.934   9.956
  461   1HZ   LYS  59           HZ2      LYS  59  -1.076  -5.190  11.453
  462   2HZ   LYS  59           HZ1      LYS  59  -0.858  -3.550  11.838
  463   3HZ   LYS  59           HZ3      LYS  59  -2.399  -4.248  11.951
  464    H    ALA  60           HN       ALA  60  -1.445  -3.826   4.011
  465    HA   ALA  60           HA       ALA  60  -0.682  -6.534   3.307
  466   1HB   ALA  60           HB1      ALA  60  -2.207  -4.627   2.187
  467   2HB   ALA  60           HB3      ALA  60  -0.709  -4.300   1.316
  468   3HB   ALA  60           HB2      ALA  60  -1.458  -5.894   1.215
  469    H    THR  61           HN       THR  61   0.912  -3.348   3.028
  470    HA   THR  61           HA       THR  61   3.349  -4.487   1.858
  471    HB   THR  61           HB       THR  61   2.506  -2.146   1.572
  472    HG1  THR  61           HG1      THR  61   4.926  -2.959   1.883
  473   1HG2  THR  61          HG21      THR  61   1.690  -1.852   3.891
  474   2HG2  THR  61          HG23      THR  61   3.359  -1.845   4.460
  475   3HG2  THR  61          HG22      THR  61   2.780  -0.552   3.410
  476    H    ALA  62           HN       ALA  62   2.158  -3.517   5.040
  477    HA   ALA  62           HA       ALA  62   4.569  -3.933   6.516
  478   1HB   ALA  62           HB3      ALA  62   1.614  -4.158   7.178
  479   2HB   ALA  62           HB2      ALA  62   2.879  -4.256   8.403
  480   3HB   ALA  62           HB1      ALA  62   2.665  -2.773   7.473
  481    H    ASP  63           HN       ASP  63   2.203  -6.024   5.059
  482    HA   ASP  63           HA       ASP  63   3.073  -8.422   6.532
  483   1HB   ASP  63           HB2      ASP  63   0.733  -8.140   5.894
  484   2HB   ASP  63           HB1      ASP  63   1.189  -7.902   4.206
  485    H    ALA  64           HN       ALA  64   3.801  -6.723   3.561
  486    HA   ALA  64           HA       ALA  64   5.064  -8.980   2.213
  487   1HB   ALA  64           HB2      ALA  64   4.594  -6.092   1.841
  488   2HB   ALA  64           HB1      ALA  64   6.120  -6.658   1.160
  489   3HB   ALA  64           HB3      ALA  64   4.599  -7.387   0.644
  490    H    GLY  65           HN       GLY  65   5.882  -6.814   4.747
  491   1HA   GLY  65           HA2      GLY  65   7.868  -7.448   6.114
  492   2HA   GLY  65           HA1      GLY  65   8.719  -7.719   4.594
  493    H    TYR  66           HN       TYR  66   6.532  -5.033   4.961
  494    HA   TYR  66           HA       TYR  66   8.850  -3.172   5.289
  495   1HB   TYR  66           HB2      TYR  66   6.635  -2.875   3.237
  496   2HB   TYR  66           HB1      TYR  66   8.120  -1.932   3.356
  497    HD1  TYR  66           HD1      TYR  66  10.259  -3.713   3.682
  498    HD2  TYR  66           HD2      TYR  66   6.681  -4.316   1.373
  499    HE1  TYR  66           HE1      TYR  66  11.453  -5.355   2.254
  500    HE2  TYR  66           HE2      TYR  66   7.876  -5.955  -0.044
  501    HH   TYR  66           HH       TYR  66  11.175  -6.238  -0.153
  502    HA   PRO  67           HA       PRO  67   5.353  -2.280   8.227
  503   1HB   PRO  67           HB2      PRO  67   7.446  -0.886   9.685
  504   2HB   PRO  67           HB1      PRO  67   6.506  -2.296  10.183
  505   1HG   PRO  67           HG2      PRO  67   9.244  -2.236   9.373
  506   2HG   PRO  67           HG1      PRO  67   8.276  -3.653   9.791
  507   1HD   PRO  67           HD2      PRO  67   9.246  -2.902   7.190
  508   2HD   PRO  67           HD1      PRO  67   8.209  -4.291   7.602
  509    H    SER  68           HN       SER  68   4.374  -0.771   6.811
  510    HA   SER  68           HA       SER  68   5.699   1.902   6.533
  511   1HB   SER  68           HB2      SER  68   4.535   2.055   4.501
  512   2HB   SER  68           HB1      SER  68   4.900   0.335   4.601
  513    HG   SER  68           HG       SER  68   2.822  -0.022   5.363
  514    H    SER  69           HN       SER  69   3.444   3.362   5.863
  515    HA   SER  69           HA       SER  69   1.549   3.185   8.142
  516   1HB   SER  69           HB2      SER  69   3.745   4.648   8.483
  517   2HB   SER  69           HB1      SER  69   2.864   5.809   7.494
  518    HG   SER  69           HG       SER  69   1.970   6.294   9.342
  519    H    VAL  70           HN       VAL  70   0.129   5.470   7.698
  520    HA   VAL  70           HA       VAL  70  -0.394   5.528   4.768
  521    HB   VAL  70           HB       VAL  70  -1.698   3.872   6.252
  522   1HG1  VAL  70          HG11      VAL  70  -2.126   5.920   7.887
  523   2HG1  VAL  70          HG13      VAL  70  -3.498   6.204   6.816
  524   3HG1  VAL  70          HG12      VAL  70  -3.354   4.671   7.675
  525   1HG2  VAL  70          HG22      VAL  70  -2.457   5.510   4.007
  526   2HG2  VAL  70          HG21      VAL  70  -2.950   3.856   4.374
  527   3HG2  VAL  70          HG23      VAL  70  -3.880   5.214   5.008
  528    H    LYS  71           HN       LYS  71  -1.469   7.432   4.025
  529    HA   LYS  71           HA       LYS  71  -2.077   9.577   5.980
  530   1HB   LYS  71           HB2      LYS  71  -0.330  11.046   5.180
  531   2HB   LYS  71           HB1      LYS  71   0.423   9.508   5.612
  532   1HG   LYS  71           HG2      LYS  71  -0.298   9.076   2.995
  533   2HG   LYS  71           HG1      LYS  71   0.147  10.783   2.976
  534   1HD   LYS  71           HD2      LYS  71   2.050   9.307   4.562
  535   2HD   LYS  71           HD1      LYS  71   1.896   8.557   2.972
  536   1HE   LYS  71           HE2      LYS  71   2.623  10.481   1.848
  537   2HE   LYS  71           HE1      LYS  71   2.170  11.552   3.189
  538   1HZ   LYS  71           HZ2      LYS  71   3.847  10.104   4.501
  539   2HZ   LYS  71           HZ1      LYS  71   4.477   9.733   2.968
  540   3HZ   LYS  71           HZ3      LYS  71   4.434  11.343   3.498
  541    H    GLN  72           HN       GLN  72  -4.000   8.661   4.468
  542    HA   GLN  72           HA       GLN  72  -4.479   9.206   1.829
  543   1HB   GLN  72           HB2      GLN  72  -6.799   9.659   2.532
  544   2HB   GLN  72           HB1      GLN  72  -6.104   8.370   3.514
  545   1HG   GLN  72           HG2      GLN  72  -5.389  10.410   5.063
  546   2HG   GLN  72           HG1      GLN  72  -6.764  11.185   4.274
  547   1HE2  GLN  72          HE22      GLN  72  -7.416   8.067   6.853
  548   2HE2  GLN  72          HE21      GLN  72  -5.847   8.378   6.287
   
  No H/Q in entry =         548
  Start of MODEL    2
    1   1H    ALA   1           HT1      ALA   1  18.159   2.868   0.919
    2   2H    ALA   1           HT3      ALA   1  18.857   2.656  -0.612
    3   3H    ALA   1           HT2      ALA   1  17.609   3.789  -0.398
    4    HA   ALA   1           HA       ALA   1  16.418   2.064  -1.311
    5   1HB   ALA   1           HB1      ALA   1  18.824   0.784  -0.716
    6   2HB   ALA   1           HB3      ALA   1  17.620  -0.145   0.176
    7   3HB   ALA   1           HB2      ALA   1  17.456   0.065  -1.567
    8    H    THR   2           HN       THR   2  15.598   3.550   0.823
    9    HA   THR   2           HA       THR   2  13.888   1.730   2.302
   10    HB   THR   2           HB       THR   2  14.893   3.255   4.321
   11    HG1  THR   2           HG1      THR   2  16.569   4.057   3.107
   12   1HG2  THR   2          HG21      THR   2  14.773   0.558   3.618
   13   2HG2  THR   2          HG23      THR   2  16.470   0.843   4.005
   14   3HG2  THR   2          HG22      THR   2  15.221   1.208   5.196
   15    H    GLN   3           HN       GLN   3  12.242   2.991   1.229
   16    HA   GLN   3           HA       GLN   3  12.071   5.832   2.201
   17   1HB   GLN   3           HB2      GLN   3  10.957   6.245  -0.046
   18   2HB   GLN   3           HB1      GLN   3  12.671   5.836  -0.121
   19   1HG   GLN   3           HG2      GLN   3  11.133   3.413  -0.149
   20   2HG   GLN   3           HG1      GLN   3  10.510   4.500  -1.388
   21   1HE2  GLN   3          HE22      GLN   3  13.141   3.484  -3.497
   22   2HE2  GLN   3          HE21      GLN   3  11.470   3.695  -3.291
   23    H    THR   4           HN       THR   4   9.873   6.713   2.254
   24    HA   THR   4           HA       THR   4   7.765   4.628   2.710
   25    HB   THR   4           HB       THR   4   8.125   7.250   4.189
   26    HG1  THR   4           HG1      THR   4   9.209   4.693   4.621
   27   1HG2  THR   4          HG23      THR   4   6.475   4.755   4.621
   28   2HG2  THR   4          HG22      THR   4   6.754   5.936   5.900
   29   3HG2  THR   4          HG21      THR   4   5.906   6.412   4.429
   30    H    VAL   5           HN       VAL   5   5.870   5.035   1.621
   31    HA   VAL   5           HA       VAL   5   5.389   7.783   0.520
   32    HB   VAL   5           HB       VAL   5   4.612   6.495  -1.554
   33   1HG1  VAL   5          HG11      VAL   5   7.007   7.589  -0.920
   34   2HG1  VAL   5          HG13      VAL   5   7.506   5.923  -1.216
   35   3HG1  VAL   5          HG12      VAL   5   6.679   6.834  -2.480
   36   1HG2  VAL   5          HG21      VAL   5   4.837   4.306   0.018
   37   2HG2  VAL   5          HG23      VAL   5   4.989   4.240  -1.738
   38   3HG2  VAL   5          HG22      VAL   5   6.435   4.293  -0.730
   39    H    THR   6           HN       THR   6   3.089   7.949  -0.256
   40    HA   THR   6           HA       THR   6   1.267   6.474   1.589
   41    HB   THR   6           HB       THR   6   1.527   9.012   1.709
   42    HG1  THR   6           HG1      THR   6  -0.629   7.516   1.780
   43   1HG2  THR   6          HG23      THR   6   1.546   8.940  -0.973
   44   2HG2  THR   6          HG22      THR   6  -0.177   9.221  -0.724
   45   3HG2  THR   6          HG21      THR   6   1.005  10.359  -0.077
   46    H    LEU   7           HN       LEU   7  -0.892   5.924   0.575
   47    HA   LEU   7           HA       LEU   7  -0.628   5.609  -2.391
   48   1HB   LEU   7           HB2      LEU   7  -0.662   3.645  -0.248
   49   2HB   LEU   7           HB1      LEU   7  -1.980   3.358  -1.385
   50    HG   LEU   7           HG       LEU   7  -0.445   3.294  -3.246
   51   1HD1  LEU   7          HD13      LEU   7   1.422   4.409  -1.209
   52   2HD1  LEU   7          HD12      LEU   7   2.081   3.434  -2.522
   53   3HD1  LEU   7          HD11      LEU   7   1.161   4.891  -2.879
   54   1HD2  LEU   7          HD21      LEU   7   0.033   1.605  -0.866
   55   2HD2  LEU   7          HD23      LEU   7  -0.291   1.130  -2.533
   56   3HD2  LEU   7          HD22      LEU   7   1.340   1.597  -2.051
   57    H    ALA   8           HN       ALA   8  -2.599   5.424  -3.510
   58    HA   ALA   8           HA       ALA   8  -5.038   6.326  -1.991
   59   1HB   ALA   8           HB3      ALA   8  -3.684   7.828  -3.739
   60   2HB   ALA   8           HB2      ALA   8  -4.626   6.898  -4.904
   61   3HB   ALA   8           HB1      ALA   8  -5.446   7.871  -3.683
   62    H    VAL   9           HN       VAL   9  -6.067   4.297  -1.806
   63    HA   VAL   9           HA       VAL   9  -6.402   2.718  -4.338
   64    HB   VAL   9           HB       VAL   9  -5.240   1.642  -2.452
   65   1HG1  VAL   9          HG12      VAL   9  -7.162   3.045  -0.933
   66   2HG1  VAL   9          HG11      VAL   9  -7.513   1.333  -0.691
   67   3HG1  VAL   9          HG13      VAL   9  -5.907   1.963  -0.326
   68   1HG2  VAL   9          HG21      VAL   9  -7.676   0.690  -3.697
   69   2HG2  VAL   9          HG23      VAL   9  -6.220  -0.214  -3.279
   70   3HG2  VAL   9          HG22      VAL   9  -7.502  -0.004  -2.085
   71    HA   PRO  10           HA       PRO  10 -10.621   4.441  -3.596
   72   1HB   PRO  10           HB2      PRO  10 -11.097   4.229  -6.388
   73   2HB   PRO  10           HB1      PRO  10 -10.730   5.701  -5.481
   74   1HG   PRO  10           HG2      PRO  10  -9.044   4.271  -7.351
   75   2HG   PRO  10           HG1      PRO  10  -8.740   5.819  -6.557
   76   1HD   PRO  10           HD2      PRO  10  -7.503   3.282  -5.991
   77   2HD   PRO  10           HD1      PRO  10  -7.239   4.834  -5.161
   78    H    GLY  11           HN       GLY  11  -9.301   1.535  -4.785
   79   1HA   GLY  11           HA2      GLY  11 -11.770   0.236  -5.592
   80   2HA   GLY  11           HA1      GLY  11 -10.231  -0.571  -5.290
   81    H    MET  12           HN       MET  12 -10.809   1.283  -2.616
   82    HA   MET  12           HA       MET  12 -11.749  -1.077  -1.093
   83   1HB   MET  12           HB2      MET  12 -10.962   0.218   0.811
   84   2HB   MET  12           HB1      MET  12  -9.755   0.327  -0.469
   85   1HG   MET  12           HG2      MET  12  -9.924   2.563  -0.352
   86   2HG   MET  12           HG1      MET  12 -11.572   2.422  -0.963
   87   1HE   MET  12           HE1      MET  12 -12.889   3.669  -0.282
   88   2HE   MET  12           HE3      MET  12 -13.867   3.084   1.071
   89   3HE   MET  12           HE2      MET  12 -12.958   4.585   1.220
   90    H    THR  13           HN       THR  13 -13.324  -0.371   0.822
   91    HA   THR  13           HA       THR  13 -15.151   1.800   0.422
   92    HB   THR  13           HB       THR  13 -15.694   0.668  -1.621
   93    HG1  THR  13           HG1      THR  13 -17.851   0.304  -1.267
   94   1HG2  THR  13          HG23      THR  13 -15.852  -1.785   0.138
   95   2HG2  THR  13          HG22      THR  13 -16.533  -1.739  -1.488
   96   3HG2  THR  13          HG21      THR  13 -14.799  -1.514  -1.251
   97    H    CYS  14           HN       CYS  14 -14.305  -1.106   2.186
   98    HA   CYS  14           HA       CYS  14 -16.116  -0.276   4.333
   99   1HB   CYS  14           HB2      CYS  14 -17.725  -1.937   4.123
  100   2HB   CYS  14           HB1      CYS  14 -17.333  -1.675   2.428
  101    H    ALA  15           HN       ALA  15 -16.184  -2.839   5.649
  102    HA   ALA  15           HA       ALA  15 -13.424  -2.899   6.668
  103   1HB   ALA  15           HB2      ALA  15 -16.135  -3.787   7.432
  104   2HB   ALA  15           HB1      ALA  15 -14.844  -4.870   7.953
  105   3HB   ALA  15           HB3      ALA  15 -14.828  -3.178   8.447
  106    H    ALA  16           HN       ALA  16 -13.026  -3.744   4.171
  107    HA   ALA  16           HA       ALA  16 -12.234  -6.524   4.456
  108   1HB   ALA  16           HB1      ALA  16 -14.820  -5.763   3.267
  109   2HB   ALA  16           HB3      ALA  16 -13.861  -6.850   2.260
  110   3HB   ALA  16           HB2      ALA  16 -14.292  -7.321   3.904
  111    H    CYS  17           HN       CYS  17 -12.908  -3.869   2.130
  112    HA   CYS  17           HA       CYS  17 -10.753  -4.901   0.372
  113   1HB   CYS  17           HB2      CYS  17 -12.442  -2.432  -0.056
  114   2HB   CYS  17           HB1      CYS  17 -11.658  -3.434  -1.261
  115    HA   PRO  18           HA       PRO  18  -9.119  -0.432   1.499
  116   1HB   PRO  18           HB2      PRO  18 -10.235  -0.120   4.192
  117   2HB   PRO  18           HB1      PRO  18 -10.244   1.034   2.855
  118   1HG   PRO  18           HG2      PRO  18 -12.472  -0.249   3.777
  119   2HG   PRO  18           HG1      PRO  18 -12.298   0.335   2.123
  120   1HD   PRO  18           HD2      PRO  18 -12.192  -2.467   3.134
  121   2HD   PRO  18           HD1      PRO  18 -12.615  -1.872   1.518
  122    H    ILE  19           HN       ILE  19  -9.863  -2.203   4.508
  123    HA   ILE  19           HA       ILE  19  -7.326  -2.124   5.729
  124    HB   ILE  19           HB       ILE  19  -9.726  -3.925   5.767
  125   1HG1  ILE  19          HG12      ILE  19  -8.785  -3.022   8.322
  126   2HG1  ILE  19          HG11      ILE  19  -8.767  -1.664   7.200
  127   1HG2  ILE  19          HG23      ILE  19  -7.781  -5.457   6.032
  128   2HG2  ILE  19          HG22      ILE  19  -7.209  -4.466   7.374
  129   3HG2  ILE  19          HG21      ILE  19  -8.738  -5.334   7.508
  130   1HD1  ILE  19          HD13      ILE  19 -11.122  -2.280   6.539
  131   2HD1  ILE  19          HD12      ILE  19 -11.112  -3.472   7.839
  132   3HD1  ILE  19          HD11      ILE  19 -10.963  -1.756   8.216
  133    H    THR  20           HN       THR  20  -8.464  -4.250   3.111
  134    HA   THR  20           HA       THR  20  -6.429  -6.257   3.300
  135    HB   THR  20           HB       THR  20  -8.092  -5.139   1.019
  136    HG1  THR  20           HG1      THR  20  -8.906  -7.443   1.435
  137   1HG2  THR  20          HG23      THR  20  -6.311  -7.594   1.085
  138   2HG2  THR  20          HG22      THR  20  -7.441  -7.195  -0.209
  139   3HG2  THR  20          HG21      THR  20  -6.057  -6.149   0.105
  140    H    VAL  21           HN       VAL  21  -6.522  -3.044   2.003
  141    HA   VAL  21           HA       VAL  21  -4.211  -3.185   0.344
  142    HB   VAL  21           HB       VAL  21  -5.617  -0.939   1.824
  143   1HG1  VAL  21          HG11      VAL  21  -3.068  -0.736   0.956
  144   2HG1  VAL  21          HG13      VAL  21  -3.914  -0.370  -0.548
  145   3HG1  VAL  21          HG12      VAL  21  -4.207   0.609   0.889
  146   1HG2  VAL  21          HG21      VAL  21  -6.124  -2.425  -0.615
  147   2HG2  VAL  21          HG23      VAL  21  -7.138  -1.224   0.183
  148   3HG2  VAL  21          HG22      VAL  21  -5.903  -0.711  -0.967
  149    H    LYS  22           HN       LYS  22  -4.788  -2.711   3.773
  150    HA   LYS  22           HA       LYS  22  -2.141  -1.768   4.434
  151   1HB   LYS  22           HB2      LYS  22  -3.859  -1.345   6.007
  152   2HB   LYS  22           HB1      LYS  22  -4.489  -2.984   5.887
  153   1HG   LYS  22           HG2      LYS  22  -3.155  -3.687   7.560
  154   2HG   LYS  22           HG1      LYS  22  -1.728  -3.016   6.771
  155   1HD   LYS  22           HD2      LYS  22  -2.508  -0.732   7.626
  156   2HD   LYS  22           HD1      LYS  22  -3.640  -1.619   8.649
  157   1HE   LYS  22           HE2      LYS  22  -1.558  -2.977   9.422
  158   2HE   LYS  22           HE1      LYS  22  -0.621  -1.631   8.741
  159   1HZ   LYS  22           HZ3      LYS  22  -2.000  -0.094  10.030
  160   2HZ   LYS  22           HZ2      LYS  22  -2.821  -1.407  10.729
  161   3HZ   LYS  22           HZ1      LYS  22  -1.168  -1.172  11.041
  162    H    LYS  23           HN       LYS  23  -3.769  -4.916   4.482
  163    HA   LYS  23           HA       LYS  23  -1.498  -6.378   5.424
  164   1HB   LYS  23           HB2      LYS  23  -3.985  -6.986   5.437
  165   2HB   LYS  23           HB1      LYS  23  -3.780  -7.408   3.736
  166   1HG   LYS  23           HG2      LYS  23  -1.912  -8.543   5.801
  167   2HG   LYS  23           HG1      LYS  23  -3.495  -9.278   5.542
  168   1HD   LYS  23           HD2      LYS  23  -2.350  -8.784   2.979
  169   2HD   LYS  23           HD1      LYS  23  -1.125  -9.582   3.966
  170   1HE   LYS  23           HE2      LYS  23  -2.198 -11.539   3.568
  171   2HE   LYS  23           HE1      LYS  23  -3.559 -10.920   4.524
  172   1HZ   LYS  23           HZ1      LYS  23  -4.307  -9.722   2.516
  173   2HZ   LYS  23           HZ3      LYS  23  -3.086 -10.487   1.622
  174   3HZ   LYS  23           HZ2      LYS  23  -4.332 -11.409   2.317
  175    H    ALA  24           HN       ALA  24  -2.460  -5.204   2.333
  176    HA   ALA  24           HA       ALA  24  -0.943  -6.994   0.689
  177   1HB   ALA  24           HB1      ALA  24  -2.461  -4.466   0.473
  178   2HB   ALA  24           HB3      ALA  24  -1.231  -4.711  -0.766
  179   3HB   ALA  24           HB2      ALA  24  -2.517  -5.898  -0.554
  180    H    LEU  25           HN       LEU  25  -0.304  -3.664   1.853
  181    HA   LEU  25           HA       LEU  25   2.298  -3.389   0.695
  182   1HB   LEU  25           HB2      LEU  25   1.319  -2.239   3.324
  183   2HB   LEU  25           HB1      LEU  25   2.489  -1.526   2.217
  184    HG   LEU  25           HG       LEU  25  -0.038  -2.096   0.886
  185   1HD1  LEU  25          HD12      LEU  25  -0.667  -1.637   3.353
  186   2HD1  LEU  25          HD11      LEU  25  -0.143   0.015   3.037
  187   3HD1  LEU  25          HD13      LEU  25  -1.475  -0.678   2.113
  188   1HD2  LEU  25          HD23      LEU  25   1.925   0.130   1.230
  189   2HD2  LEU  25          HD22      LEU  25   1.261  -0.559  -0.251
  190   3HD2  LEU  25          HD21      LEU  25   0.297   0.562   0.709
  191    H    SER  26           HN       SER  26   1.234  -4.592   3.867
  192    HA   SER  26           HA       SER  26   3.894  -5.088   4.889
  193   1HB   SER  26           HB2      SER  26   2.714  -5.874   6.743
  194   2HB   SER  26           HB1      SER  26   1.485  -4.862   5.991
  195    HG   SER  26           HG       SER  26   1.255  -7.365   6.553
  196    H    LYS  27           HN       LYS  27   1.766  -6.759   2.720
  197    HA   LYS  27           HA       LYS  27   3.184  -9.317   3.061
  198   1HB   LYS  27           HB2      LYS  27   0.931  -9.748   2.781
  199   2HB   LYS  27           HB1      LYS  27   0.682  -8.289   1.827
  200   1HG   LYS  27           HG2      LYS  27   2.297 -10.549   0.688
  201   2HG   LYS  27           HG1      LYS  27   0.533 -10.616   0.644
  202   1HD   LYS  27           HD2      LYS  27   1.165  -8.011  -0.169
  203   2HD   LYS  27           HD1      LYS  27   2.347  -9.034  -0.987
  204   1HE   LYS  27           HE2      LYS  27  -0.486  -9.986  -0.984
  205   2HE   LYS  27           HE1      LYS  27  -0.088  -8.613  -2.036
  206   1HZ   LYS  27           HZ2      LYS  27   1.877 -10.739  -1.997
  207   2HZ   LYS  27           HZ1      LYS  27   0.385 -11.177  -2.682
  208   3HZ   LYS  27           HZ3      LYS  27   1.253  -9.863  -3.312
  209    H    VAL  28           HN       VAL  28   3.515  -6.478   1.295
  210    HA   VAL  28           HA       VAL  28   4.209  -7.238  -1.314
  211    HB   VAL  28           HB       VAL  28   5.087  -5.127   0.644
  212   1HG1  VAL  28          HG11      VAL  28   6.277  -5.694  -2.078
  213   2HG1  VAL  28          HG13      VAL  28   6.268  -4.067  -1.397
  214   3HG1  VAL  28          HG12      VAL  28   7.120  -5.368  -0.563
  215   1HG2  VAL  28          HG22      VAL  28   3.576  -5.185  -1.983
  216   2HG2  VAL  28          HG21      VAL  28   2.929  -4.824  -0.383
  217   3HG2  VAL  28          HG23      VAL  28   4.035  -3.693  -1.163
  218    H    GLU  29           HN       GLU  29   6.768  -6.457   1.014
  219    HA   GLU  29           HA       GLU  29   8.121  -8.904   1.227
  220   1HB   GLU  29           HB2      GLU  29   8.228  -7.621  -1.416
  221   2HB   GLU  29           HB1      GLU  29   9.823  -8.000  -0.763
  222   1HG   GLU  29           HG2      GLU  29   7.898 -10.147  -0.328
  223   2HG   GLU  29           HG1      GLU  29   8.129  -9.784  -2.038
  224    H    GLY  30           HN       GLY  30   9.631  -6.046  -0.205
  225   1HA   GLY  30           HA2      GLY  30  11.522  -5.789   1.942
  226   2HA   GLY  30           HA1      GLY  30  11.266  -4.599   0.667
  227    H    VAL  31           HN       VAL  31   8.269  -4.947   1.783
  228    HA   VAL  31           HA       VAL  31   8.003  -2.460   3.046
  229    HB   VAL  31           HB       VAL  31   6.232  -4.111   2.261
  230   1HG1  VAL  31          HG13      VAL  31   7.316  -5.957   3.737
  231   2HG1  VAL  31          HG12      VAL  31   6.401  -5.224   5.055
  232   3HG1  VAL  31          HG11      VAL  31   5.556  -5.883   3.655
  233   1HG2  VAL  31          HG23      VAL  31   6.193  -2.170   4.347
  234   2HG2  VAL  31          HG22      VAL  31   4.858  -2.668   3.307
  235   3HG2  VAL  31          HG21      VAL  31   5.138  -3.495   4.840
  236    H    SER  32           HN       SER  32   8.759  -1.678   4.904
  237    HA   SER  32           HA       SER  32   9.699  -3.586   7.005
  238   1HB   SER  32           HB2      SER  32  11.569  -2.325   6.689
  239   2HB   SER  32           HB1      SER  32  10.675  -1.102   5.789
  240    HG   SER  32           HG       SER  32  11.489  -1.091   8.356
  241    H    LYS  33           HN       LYS  33   7.364  -1.233   6.220
  242    HA   LYS  33           HA       LYS  33   6.133  -1.473   8.878
  243   1HB   LYS  33           HB2      LYS  33   7.491   0.228   9.633
  244   2HB   LYS  33           HB1      LYS  33   7.773   0.859   8.016
  245   1HG   LYS  33           HG2      LYS  33   5.739   2.063   8.002
  246   2HG   LYS  33           HG1      LYS  33   5.071   1.118   9.333
  247   1HD   LYS  33           HD2      LYS  33   5.856   2.633  10.798
  248   2HD   LYS  33           HD1      LYS  33   7.500   2.308  10.246
  249   1HE   LYS  33           HE2      LYS  33   7.469   4.489   9.555
  250   2HE   LYS  33           HE1      LYS  33   6.493   3.882   8.203
  251   1HZ   LYS  33           HZ3      LYS  33   4.540   4.072   9.767
  252   2HZ   LYS  33           HZ2      LYS  33   5.546   4.989  10.784
  253   3HZ   LYS  33           HZ1      LYS  33   5.187   5.538   9.216
  254    H    VAL  34           HN       VAL  34   3.969  -0.412   8.884
  255    HA   VAL  34           HA       VAL  34   2.994   0.542   6.247
  256    HB   VAL  34           HB       VAL  34   1.939  -1.892   7.725
  257   1HG1  VAL  34          HG11      VAL  34   0.372  -0.231   6.359
  258   2HG1  VAL  34          HG13      VAL  34   1.062  -1.086   4.980
  259   3HG1  VAL  34          HG12      VAL  34   0.181  -1.979   6.219
  260   1HG2  VAL  34          HG21      VAL  34   3.401  -1.567   5.084
  261   2HG2  VAL  34          HG23      VAL  34   4.014  -2.372   6.529
  262   3HG2  VAL  34          HG22      VAL  34   2.663  -3.071   5.637
  263    H    ASP  35           HN       ASP  35   1.053   1.752   6.427
  264    HA   ASP  35           HA       ASP  35  -0.475   1.910   8.901
  265   1HB   ASP  35           HB2      ASP  35   1.653   3.097   9.468
  266   2HB   ASP  35           HB1      ASP  35   1.375   4.193   8.115
  267    H    VAL  36           HN       VAL  36  -2.200   1.624   7.362
  268    HA   VAL  36           HA       VAL  36  -2.532   3.802   5.342
  269    HB   VAL  36           HB       VAL  36  -3.822   2.191   4.140
  270   1HG1  VAL  36          HG12      VAL  36  -1.212   1.662   4.922
  271   2HG1  VAL  36          HG11      VAL  36  -2.045   0.138   5.229
  272   3HG1  VAL  36          HG13      VAL  36  -2.078   0.852   3.617
  273   1HG2  VAL  36          HG22      VAL  36  -5.177   1.455   6.107
  274   2HG2  VAL  36          HG21      VAL  36  -4.613   0.101   5.130
  275   3HG2  VAL  36          HG23      VAL  36  -3.808   0.486   6.651
  276    H    GLY  37           HN       GLY  37  -5.271   3.326   4.944
  277   1HA   GLY  37           HA2      GLY  37  -6.691   3.793   7.466
  278   2HA   GLY  37           HA1      GLY  37  -6.653   5.172   6.361
  279    H    PHE  38           HN       PHE  38  -7.854   1.929   6.845
  280    HA   PHE  38           HA       PHE  38  -8.876   1.069   4.492
  281   1HB   PHE  38           HB2      PHE  38 -11.015   0.584   6.046
  282   2HB   PHE  38           HB1      PHE  38  -9.485  -0.247   6.283
  283    HD1  PHE  38           HD2      PHE  38 -10.248   3.316   7.122
  284    HD2  PHE  38           HD1      PHE  38  -9.503  -0.639   8.624
  285    HE1  PHE  38           HE2      PHE  38 -10.099   4.220   9.422
  286    HE2  PHE  38           HE1      PHE  38  -9.349   0.268  10.926
  287    HZ   PHE  38           HZ       PHE  38  -9.647   2.697  11.326
  288    H    GLU  39           HN       GLU  39 -11.591   2.336   6.209
  289    HA   GLU  39           HA       GLU  39 -13.143   3.310   4.213
  290   1HB   GLU  39           HB2      GLU  39 -13.391   3.400   6.781
  291   2HB   GLU  39           HB1      GLU  39 -12.613   4.980   6.674
  292   1HG   GLU  39           HG2      GLU  39 -15.082   5.179   6.633
  293   2HG   GLU  39           HG1      GLU  39 -14.359   5.758   5.132
  294    H    LYS  40           HN       LYS  40 -10.371   5.107   5.584
  295    HA   LYS  40           HA       LYS  40 -10.752   7.323   3.666
  296   1HB   LYS  40           HB2      LYS  40  -9.676   6.987   6.218
  297   2HB   LYS  40           HB1      LYS  40  -8.258   7.220   5.193
  298   1HG   LYS  40           HG2      LYS  40 -10.684   9.026   5.075
  299   2HG   LYS  40           HG1      LYS  40  -9.290   9.358   6.105
  300   1HD   LYS  40           HD2      LYS  40  -7.831   9.224   4.064
  301   2HD   LYS  40           HD1      LYS  40  -9.293   9.088   3.086
  302   1HE   LYS  40           HE2      LYS  40  -8.864  11.407   3.030
  303   2HE   LYS  40           HE1      LYS  40 -10.013  11.279   4.377
  304   1HZ   LYS  40           HZ2      LYS  40  -7.062  11.106   4.680
  305   2HZ   LYS  40           HZ1      LYS  40  -7.960  12.522   4.952
  306   3HZ   LYS  40           HZ3      LYS  40  -8.216  11.158   5.926
  307    H    ARG  41           HN       ARG  41 -10.385   4.920   2.351
  308    HA   ARG  41           HA       ARG  41  -8.474   3.569   1.379
  309   1HB   ARG  41           HB2      ARG  41  -8.988   4.172  -0.863
  310   2HB   ARG  41           HB1      ARG  41 -10.429   4.520   0.089
  311   1HG   ARG  41           HG2      ARG  41 -10.357   6.645  -0.652
  312   2HG   ARG  41           HG1      ARG  41  -8.825   6.852   0.185
  313   1HD   ARG  41           HD2      ARG  41  -7.610   6.694  -1.748
  314   2HD   ARG  41           HD1      ARG  41  -8.614   5.381  -2.383
  315    HE   ARG  41           HE       ARG  41  -8.886   8.161  -3.033
  316   1HH1  ARG  41          HH21      ARG  41 -10.848   5.465  -2.079
  317   2HH1  ARG  41          HH22      ARG  41 -12.310   6.177  -2.668
  318   1HH2  ARG  41          HH11      ARG  41 -10.781   9.068  -3.800
  319   2HH2  ARG  41          HH12      ARG  41 -12.274   8.206  -3.638
  320    H    GLU  42           HN       GLU  42  -6.604   4.482   2.759
  321    HA   GLU  42           HA       GLU  42  -4.737   5.845   0.885
  322   1HB   GLU  42           HB2      GLU  42  -5.881   7.621   2.165
  323   2HB   GLU  42           HB1      GLU  42  -5.422   6.836   3.676
  324   1HG   GLU  42           HG2      GLU  42  -3.114   7.228   1.956
  325   2HG   GLU  42           HG1      GLU  42  -3.935   8.755   2.279
  326    H    ALA  43           HN       ALA  43  -2.973   4.477   0.905
  327    HA   ALA  43           HA       ALA  43  -2.316   3.077   3.461
  328   1HB   ALA  43           HB2      ALA  43  -2.136   2.471   0.549
  329   2HB   ALA  43           HB1      ALA  43  -0.913   1.755   1.599
  330   3HB   ALA  43           HB3      ALA  43  -2.621   1.425   1.883
  331    H    VAL  44           HN       VAL  44  -0.656   3.980   4.566
  332    HA   VAL  44           HA       VAL  44   1.526   5.344   3.037
  333    HB   VAL  44           HB       VAL  44   0.024   5.831   5.529
  334   1HG1  VAL  44          HG13      VAL  44   3.039   5.940   5.493
  335   2HG1  VAL  44          HG12      VAL  44   2.107   7.047   6.501
  336   3HG1  VAL  44          HG11      VAL  44   1.976   5.307   6.749
  337   1HG2  VAL  44          HG21      VAL  44   0.168   7.285   3.452
  338   2HG2  VAL  44          HG23      VAL  44   0.464   8.118   4.977
  339   3HG2  VAL  44          HG22      VAL  44   1.818   7.673   3.939
  340    H    VAL  45           HN       VAL  45   3.122   3.841   2.719
  341    HA   VAL  45           HA       VAL  45   3.807   2.110   5.086
  342    HB   VAL  45           HB       VAL  45   3.507   1.519   2.145
  343   1HG1  VAL  45          HG11      VAL  45   5.328   0.290   4.075
  344   2HG1  VAL  45          HG13      VAL  45   4.193  -0.869   3.388
  345   3HG1  VAL  45          HG12      VAL  45   5.238   0.077   2.329
  346   1HG2  VAL  45          HG22      VAL  45   2.000   1.057   4.593
  347   2HG2  VAL  45          HG21      VAL  45   1.497   0.852   2.915
  348   3HG2  VAL  45          HG23      VAL  45   2.339  -0.454   3.748
  349    H    THR  46           HN       THR  46   5.950   1.542   5.363
  350    HA   THR  46           HA       THR  46   7.986   3.165   3.878
  351    HB   THR  46           HB       THR  46   7.695   2.075   6.676
  352    HG1  THR  46           HG1      THR  46   8.693   4.356   6.852
  353   1HG2  THR  46          HG22      THR  46  10.210   2.537   5.132
  354   2HG2  THR  46          HG21      THR  46  10.181   3.024   6.827
  355   3HG2  THR  46          HG23      THR  46   9.867   1.345   6.386
  356    H    PHE  47           HN       PHE  47  10.008   1.915   3.344
  357    HA   PHE  47           HA       PHE  47  10.077  -0.940   3.801
  358   1HB   PHE  47           HB2      PHE  47   9.493  -1.644   1.540
  359   2HB   PHE  47           HB1      PHE  47   8.173  -0.677   2.202
  360    HD1  PHE  47           HD2      PHE  47  10.993  -0.722  -0.194
  361    HD2  PHE  47           HD1      PHE  47   7.732   1.580   1.416
  362    HE1  PHE  47           HE2      PHE  47  11.223   0.904  -2.044
  363    HE2  PHE  47           HE1      PHE  47   7.968   3.203  -0.440
  364    HZ   PHE  47           HZ       PHE  47   9.710   2.865  -2.166
  365    H    ASP  48           HN       ASP  48  11.614  -1.956   2.078
  366    HA   ASP  48           HA       ASP  48  13.937  -0.108   1.778
  367   1HB   ASP  48           HB2      ASP  48  13.928  -3.135   1.681
  368   2HB   ASP  48           HB1      ASP  48  15.281  -2.068   2.055
  369    H    ASP  49           HN       ASP  49  14.018   0.631  -0.312
  370    HA   ASP  49           HA       ASP  49  12.575  -0.471  -2.488
  371   1HB   ASP  49           HB2      ASP  49  13.184   1.659  -2.982
  372   2HB   ASP  49           HB1      ASP  49  14.605   1.585  -1.949
  373    H    THR  50           HN       THR  50  15.386  -1.718  -1.005
  374    HA   THR  50           HA       THR  50  16.782  -2.793  -3.267
  375    HB   THR  50           HB       THR  50  17.652  -2.580  -0.948
  376    HG1  THR  50           HG1      THR  50  18.190  -4.362  -2.601
  377   1HG2  THR  50          HG21      THR  50  15.335  -4.337  -0.427
  378   2HG2  THR  50          HG23      THR  50  16.818  -4.796   0.405
  379   3HG2  THR  50          HG22      THR  50  16.138  -3.187   0.638
  380    H    LYS  51           HN       LYS  51  13.876  -3.812  -1.592
  381    HA   LYS  51           HA       LYS  51  13.737  -6.206  -3.385
  382   1HB   LYS  51           HB2      LYS  51  13.735  -5.960  -0.519
  383   2HB   LYS  51           HB1      LYS  51  12.182  -6.613  -1.046
  384   1HG   LYS  51           HG2      LYS  51  13.526  -8.238  -2.500
  385   2HG   LYS  51           HG1      LYS  51  14.943  -7.723  -1.584
  386   1HD   LYS  51           HD2      LYS  51  12.433  -8.696  -0.213
  387   2HD   LYS  51           HD1      LYS  51  13.704  -9.808  -0.722
  388   1HE   LYS  51           HE2      LYS  51  15.237  -8.979   0.826
  389   2HE   LYS  51           HE1      LYS  51  14.460  -7.384   0.890
  390   1HZ   LYS  51           HZ2      LYS  51  12.937  -9.766   1.698
  391   2HZ   LYS  51           HZ1      LYS  51  14.045  -9.089   2.794
  392   3HZ   LYS  51           HZ3      LYS  51  12.759  -8.154   2.203
  393    H    ALA  52           HN       ALA  52  12.023  -3.633  -1.760
  394    HA   ALA  52           HA       ALA  52   9.605  -4.166  -3.456
  395   1HB   ALA  52           HB2      ALA  52  10.077  -3.327  -0.628
  396   2HB   ALA  52           HB1      ALA  52   8.677  -2.636  -1.450
  397   3HB   ALA  52           HB3      ALA  52   8.830  -4.386  -1.287
  398    H    SER  53           HN       SER  53   8.331  -1.770  -3.191
  399    HA   SER  53           HA       SER  53   9.989   0.563  -3.497
  400   1HB   SER  53           HB2      SER  53   9.955  -1.278  -5.650
  401   2HB   SER  53           HB1      SER  53   8.981   0.097  -6.161
  402    HG   SER  53           HG       SER  53  10.946   0.815  -6.599
  403    H    VAL  54           HN       VAL  54   8.661   2.444  -3.924
  404    HA   VAL  54           HA       VAL  54   6.094   2.567  -2.965
  405    HB   VAL  54           HB       VAL  54   5.968   4.636  -4.290
  406   1HG1  VAL  54          HG12      VAL  54   7.606   4.312  -2.319
  407   2HG1  VAL  54          HG11      VAL  54   8.862   4.252  -3.555
  408   3HG1  VAL  54          HG13      VAL  54   7.868   5.698  -3.378
  409   1HG2  VAL  54          HG22      VAL  54   6.778   3.628  -6.421
  410   2HG2  VAL  54          HG21      VAL  54   7.633   5.115  -6.015
  411   3HG2  VAL  54          HG23      VAL  54   8.401   3.553  -5.733
  412    H    GLN  55           HN       GLN  55   7.086   1.662  -6.254
  413    HA   GLN  55           HA       GLN  55   4.416   1.528  -7.348
  414   1HB   GLN  55           HB2      GLN  55   6.963   1.412  -8.309
  415   2HB   GLN  55           HB1      GLN  55   6.538  -0.300  -8.343
  416   1HG   GLN  55           HG2      GLN  55   4.786   0.025  -9.852
  417   2HG   GLN  55           HG1      GLN  55   4.602   1.726  -9.426
  418   1HE2  GLN  55          HE22      GLN  55   6.322   2.236 -12.520
  419   2HE2  GLN  55          HE21      GLN  55   4.791   2.219 -11.788
  420    H    LYS  56           HN       LYS  56   6.616  -0.900  -5.910
  421    HA   LYS  56           HA       LYS  56   4.914  -3.167  -6.181
  422   1HB   LYS  56           HB2      LYS  56   7.432  -2.567  -5.228
  423   2HB   LYS  56           HB1      LYS  56   6.572  -3.002  -3.751
  424   1HG   LYS  56           HG2      LYS  56   6.630  -5.182  -4.301
  425   2HG   LYS  56           HG1      LYS  56   5.881  -4.845  -5.862
  426   1HD   LYS  56           HD2      LYS  56   8.276  -3.988  -6.514
  427   2HD   LYS  56           HD1      LYS  56   8.796  -4.987  -5.156
  428   1HE   LYS  56           HE2      LYS  56   8.122  -6.974  -6.184
  429   2HE   LYS  56           HE1      LYS  56   6.925  -6.153  -7.206
  430   1HZ   LYS  56           HZ2      LYS  56   8.728  -5.037  -8.366
  431   2HZ   LYS  56           HZ1      LYS  56   9.875  -5.842  -7.404
  432   3HZ   LYS  56           HZ3      LYS  56   8.905  -6.723  -8.481
  433    H    LEU  57           HN       LEU  57   4.883  -0.487  -3.874
  434    HA   LEU  57           HA       LEU  57   3.222  -1.777  -1.877
  435   1HB   LEU  57           HB2      LEU  57   3.471   1.166  -2.598
  436   2HB   LEU  57           HB1      LEU  57   2.989   0.503  -1.038
  437    HG   LEU  57           HG       LEU  57   5.709   0.051  -2.310
  438   1HD1  LEU  57          HD13      LEU  57   4.832   2.431  -1.344
  439   2HD1  LEU  57          HD12      LEU  57   5.428   1.688   0.139
  440   3HD1  LEU  57          HD11      LEU  57   6.507   1.895  -1.240
  441   1HD2  LEU  57          HD21      LEU  57   4.307  -1.044   0.009
  442   2HD2  LEU  57          HD23      LEU  57   5.803  -1.586  -0.752
  443   3HD2  LEU  57          HD22      LEU  57   5.842  -0.295   0.448
  444    H    THR  58           HN       THR  58   2.533   0.558  -4.485
  445    HA   THR  58           HA       THR  58  -0.333   0.433  -4.287
  446    HB   THR  58           HB       THR  58   1.178   0.967  -6.833
  447    HG1  THR  58           HG1      THR  58   1.336   2.368  -4.401
  448   1HG2  THR  58          HG22      THR  58  -1.390   1.245  -6.338
  449   2HG2  THR  58          HG21      THR  58  -0.877   2.733  -5.543
  450   3HG2  THR  58          HG23      THR  58  -0.537   2.486  -7.257
  451    H    LYS  59           HN       LYS  59   2.081  -1.675  -5.545
  452    HA   LYS  59           HA       LYS  59   0.306  -3.073  -7.424
  453   1HB   LYS  59           HB2      LYS  59   3.046  -2.754  -7.063
  454   2HB   LYS  59           HB1      LYS  59   2.758  -4.415  -6.543
  455   1HG   LYS  59           HG2      LYS  59   1.707  -3.280  -9.145
  456   2HG   LYS  59           HG1      LYS  59   3.227  -4.164  -9.015
  457   1HD   LYS  59           HD2      LYS  59   2.122  -6.119  -9.081
  458   2HD   LYS  59           HD1      LYS  59   1.184  -5.653  -7.662
  459   1HE   LYS  59           HE2      LYS  59  -0.591  -5.749  -9.113
  460   2HE   LYS  59           HE1      LYS  59  -0.019  -4.150  -9.630
  461   1HZ   LYS  59           HZ1      LYS  59   1.069  -6.682 -10.724
  462   2HZ   LYS  59           HZ3      LYS  59  -0.223  -5.857 -11.450
  463   3HZ   LYS  59           HZ2      LYS  59   1.297  -5.108 -11.321
  464    H    ALA  60           HN       ALA  60   1.289  -3.236  -4.080
  465    HA   ALA  60           HA       ALA  60   0.489  -5.989  -3.621
  466   1HB   ALA  60           HB2      ALA  60   1.895  -4.041  -2.288
  467   2HB   ALA  60           HB1      ALA  60   0.369  -4.025  -1.405
  468   3HB   ALA  60           HB3      ALA  60   1.303  -5.516  -1.526
  469    H    THR  61           HN       THR  61  -1.078  -2.808  -3.229
  470    HA   THR  61           HA       THR  61  -3.608  -3.992  -2.298
  471    HB   THR  61           HB       THR  61  -2.763  -1.694  -1.764
  472    HG1  THR  61           HG1      THR  61  -5.129  -2.427  -2.178
  473   1HG2  THR  61          HG21      THR  61  -1.802  -1.305  -4.053
  474   2HG2  THR  61          HG23      THR  61  -3.448  -1.092  -4.648
  475   3HG2  THR  61          HG22      THR  61  -2.787   0.031  -3.459
  476    H    ALA  62           HN       ALA  62  -2.193  -2.765  -5.294
  477    HA   ALA  62           HA       ALA  62  -4.475  -2.997  -6.986
  478   1HB   ALA  62           HB2      ALA  62  -1.508  -3.399  -7.510
  479   2HB   ALA  62           HB1      ALA  62  -2.718  -3.140  -8.764
  480   3HB   ALA  62           HB3      ALA  62  -2.369  -1.863  -7.599
  481    H    ASP  63           HN       ASP  63  -2.214  -5.303  -5.622
  482    HA   ASP  63           HA       ASP  63  -3.133  -7.525  -7.318
  483   1HB   ASP  63           HB2      ASP  63  -1.072  -6.938  -5.278
  484   2HB   ASP  63           HB1      ASP  63  -1.689  -8.590  -5.238
  485    H    ALA  64           HN       ALA  64  -3.891  -6.064  -4.234
  486    HA   ALA  64           HA       ALA  64  -5.280  -8.342  -3.096
  487   1HB   ALA  64           HB1      ALA  64  -4.629  -5.581  -2.493
  488   2HB   ALA  64           HB3      ALA  64  -6.322  -5.898  -2.115
  489   3HB   ALA  64           HB2      ALA  64  -5.055  -6.878  -1.376
  490    H    GLY  65           HN       GLY  65  -5.921  -6.053  -5.571
  491   1HA   GLY  65           HA2      GLY  65  -7.816  -6.534  -7.086
  492   2HA   GLY  65           HA1      GLY  65  -8.755  -6.956  -5.655
  493    H    TYR  66           HN       TYR  66  -6.600  -4.216  -5.632
  494    HA   TYR  66           HA       TYR  66  -8.949  -2.370  -5.863
  495   1HB   TYR  66           HB2      TYR  66  -6.768  -2.288  -3.752
  496   2HB   TYR  66           HB1      TYR  66  -8.220  -1.285  -3.815
  497    HD1  TYR  66           HD1      TYR  66 -10.353  -3.085  -4.482
  498    HD2  TYR  66           HD2      TYR  66  -6.962  -3.782  -1.925
  499    HE1  TYR  66           HE1      TYR  66 -11.626  -4.827  -3.265
  500    HE2  TYR  66           HE2      TYR  66  -8.243  -5.521  -0.726
  501    HH   TYR  66           HH       TYR  66 -10.653  -7.077  -1.733
  502    HA   PRO  67           HA       PRO  67  -5.642  -0.885  -8.671
  503   1HB   PRO  67           HB2      PRO  67  -7.679   0.896  -9.690
  504   2HB   PRO  67           HB1      PRO  67  -6.932  -0.486 -10.496
  505   1HG   PRO  67           HG2      PRO  67  -9.592  -0.301  -9.464
  506   2HG   PRO  67           HG1      PRO  67  -8.821  -1.699 -10.218
  507   1HD   PRO  67           HD2      PRO  67  -9.508  -1.345  -7.438
  508   2HD   PRO  67           HD1      PRO  67  -8.722  -2.751  -8.197
  509    H    SER  68           HN       SER  68  -4.519   0.231  -6.980
  510    HA   SER  68           HA       SER  68  -5.643   2.886  -6.158
  511   1HB   SER  68           HB2      SER  68  -4.547   2.527  -4.144
  512   2HB   SER  68           HB1      SER  68  -4.839   0.859  -4.627
  513    HG   SER  68           HG       SER  68  -2.486   2.332  -4.557
  514    H    SER  69           HN       SER  69  -3.321   4.123  -5.361
  515    HA   SER  69           HA       SER  69  -1.439   4.146  -7.658
  516   1HB   SER  69           HB2      SER  69  -1.855   6.573  -7.961
  517   2HB   SER  69           HB1      SER  69  -3.331   5.647  -8.223
  518    HG   SER  69           HG       SER  69  -3.834   7.321  -6.859
  519    H    VAL  70           HN       VAL  70   0.093   6.283  -6.995
  520    HA   VAL  70           HA       VAL  70   0.599   6.075  -4.067
  521    HB   VAL  70           HB       VAL  70   1.827   4.475  -5.670
  522   1HG1  VAL  70          HG13      VAL  70   2.336   6.531  -7.206
  523   2HG1  VAL  70          HG12      VAL  70   3.671   6.818  -6.090
  524   3HG1  VAL  70          HG11      VAL  70   3.583   5.303  -6.988
  525   1HG2  VAL  70          HG21      VAL  70   2.666   5.891  -3.312
  526   2HG2  VAL  70          HG23      VAL  70   3.103   4.260  -3.819
  527   3HG2  VAL  70          HG22      VAL  70   4.072   5.635  -4.344
  528    H    LYS  71           HN       LYS  71   1.730   7.908  -3.167
  529    HA   LYS  71           HA       LYS  71   2.547  10.104  -4.954
  530   1HB   LYS  71           HB2      LYS  71   0.751  11.589  -3.723
  531   2HB   LYS  71           HB1      LYS  71   0.259  10.595  -5.096
  532   1HG   LYS  71           HG2      LYS  71  -1.029   9.256  -3.804
  533   2HG   LYS  71           HG1      LYS  71   0.206   9.143  -2.551
  534   1HD   LYS  71           HD2      LYS  71  -1.928  10.288  -1.824
  535   2HD   LYS  71           HD1      LYS  71  -0.462  11.243  -1.591
  536   1HE   LYS  71           HE2      LYS  71  -1.465  11.732  -4.246
  537   2HE   LYS  71           HE1      LYS  71  -2.771  11.987  -3.071
  538   1HZ   LYS  71           HZ3      LYS  71  -0.047  12.973  -2.520
  539   2HZ   LYS  71           HZ2      LYS  71  -1.108  13.893  -3.476
  540   3HZ   LYS  71           HZ1      LYS  71  -1.522  13.505  -1.874
  541    H    GLN  72           HN       GLN  72   3.920   8.681  -2.958
  542    HA   GLN  72           HA       GLN  72   5.099   8.957  -0.903
  543   1HB   GLN  72           HB2      GLN  72   5.207  11.404  -2.610
  544   2HB   GLN  72           HB1      GLN  72   5.941  11.497  -1.008
  545   1HG   GLN  72           HG2      GLN  72   7.702  10.256  -1.666
  546   2HG   GLN  72           HG1      GLN  72   6.642   9.007  -2.319
  547   1HE2  GLN  72          HE22      GLN  72   6.954  10.117  -5.664
  548   2HE2  GLN  72          HE21      GLN  72   6.205   9.029  -4.598
   
  No H/Q in entry =         548
  Start of MODEL    3
    1   1H    ALA   1           HT1      ALA   1 -18.303   1.949  -3.447
    2   2H    ALA   1           HT3      ALA   1 -19.184   2.214  -2.022
    3   3H    ALA   1           HT2      ALA   1 -18.054   3.368  -2.548
    4    HA   ALA   1           HA       ALA   1 -17.026   2.181  -0.770
    5   1HB   ALA   1           HB2      ALA   1 -18.353  -0.047  -2.268
    6   2HB   ALA   1           HB1      ALA   1 -16.919  -0.422  -1.313
    7   3HB   ALA   1           HB3      ALA   1 -18.337   0.278  -0.534
    8    H    THR   2           HN       THR   2 -15.542   3.509  -2.277
    9    HA   THR   2           HA       THR   2 -13.450   1.792  -3.320
   10    HB   THR   2           HB       THR   2 -14.630   1.991  -5.311
   11    HG1  THR   2           HG1      THR   2 -13.517   3.650  -6.500
   12   1HG2  THR   2          HG22      THR   2 -15.553   4.536  -4.119
   13   2HG2  THR   2          HG21      THR   2 -15.402   4.527  -5.875
   14   3HG2  THR   2          HG23      THR   2 -16.448   3.355  -5.074
   15    H    GLN   3           HN       GLN   3 -12.162   2.663  -1.733
   16    HA   GLN   3           HA       GLN   3 -11.823   5.638  -1.675
   17   1HB   GLN   3           HB2      GLN   3 -10.683   3.773   0.378
   18   2HB   GLN   3           HB1      GLN   3 -11.325   5.397   0.590
   19   1HG   GLN   3           HG2      GLN   3 -13.602   4.297  -0.120
   20   2HG   GLN   3           HG1      GLN   3 -12.811   2.794   0.354
   21   1HE2  GLN   3          HE22      GLN   3 -12.390   4.045   3.812
   22   2HE2  GLN   3          HE21      GLN   3 -11.388   3.407   2.600
   23    H    THR   4           HN       THR   4  -9.633   6.478  -1.466
   24    HA   THR   4           HA       THR   4  -7.464   4.637  -2.382
   25    HB   THR   4           HB       THR   4  -8.042   7.386  -3.535
   26    HG1  THR   4           HG1      THR   4  -8.992   4.845  -4.165
   27   1HG2  THR   4          HG22      THR   4  -6.242   5.097  -4.369
   28   2HG2  THR   4          HG21      THR   4  -6.543   6.531  -5.351
   29   3HG2  THR   4          HG23      THR   4  -5.734   6.684  -3.791
   30    H    VAL   5           HN       VAL   5  -5.689   4.937  -1.121
   31    HA   VAL   5           HA       VAL   5  -5.250   7.599   0.206
   32    HB   VAL   5           HB       VAL   5  -4.779   6.421   2.253
   33   1HG1  VAL   5          HG13      VAL   5  -7.267   6.522   1.139
   34   2HG1  VAL   5          HG12      VAL   5  -7.115   4.792   1.445
   35   3HG1  VAL   5          HG11      VAL   5  -6.949   5.940   2.772
   36   1HG2  VAL   5          HG22      VAL   5  -3.609   4.510   1.165
   37   2HG2  VAL   5          HG21      VAL   5  -4.779   3.972   2.369
   38   3HG2  VAL   5          HG23      VAL   5  -5.171   3.873   0.653
   39    H    THR   6           HN       THR   6  -2.951   7.709   1.014
   40    HA   THR   6           HA       THR   6  -1.098   6.414  -0.932
   41    HB   THR   6           HB       THR   6  -1.354   8.940  -0.852
   42    HG1  THR   6           HG1      THR   6   0.615   8.857  -1.521
   43   1HG2  THR   6          HG23      THR   6  -1.696   9.037   1.621
   44   2HG2  THR   6          HG22      THR   6   0.002   8.614   1.837
   45   3HG2  THR   6          HG21      THR   6  -0.437  10.132   1.054
   46    H    LEU   7           HN       LEU   7   1.019   5.729   0.046
   47    HA   LEU   7           HA       LEU   7   0.742   5.187   2.978
   48   1HB   LEU   7           HB2      LEU   7   0.730   3.381   0.707
   49   2HB   LEU   7           HB1      LEU   7   2.061   2.997   1.790
   50    HG   LEU   7           HG       LEU   7   0.589   2.726   3.643
   51   1HD1  LEU   7          HD13      LEU   7  -1.438   4.025   1.838
   52   2HD1  LEU   7          HD12      LEU   7  -1.922   3.092   3.255
   53   3HD1  LEU   7          HD11      LEU   7  -0.918   4.521   3.442
   54   1HD2  LEU   7          HD21      LEU   7  -0.345   1.475   1.073
   55   2HD2  LEU   7          HD23      LEU   7   0.452   0.712   2.448
   56   3HD2  LEU   7          HD22      LEU   7  -1.248   1.170   2.557
   57    H    ALA   8           HN       ALA   8   2.631   5.172   4.138
   58    HA   ALA   8           HA       ALA   8   5.149   5.951   2.675
   59   1HB   ALA   8           HB2      ALA   8   3.817   6.832   5.222
   60   2HB   ALA   8           HB1      ALA   8   5.578   6.899   5.129
   61   3HB   ALA   8           HB3      ALA   8   4.598   7.812   3.981
   62    H    VAL   9           HN       VAL   9   6.124   3.869   2.547
   63    HA   VAL   9           HA       VAL   9   6.220   2.308   5.095
   64    HB   VAL   9           HB       VAL   9   5.155   1.208   3.225
   65   1HG1  VAL   9          HG12      VAL   9   7.710   1.873   1.734
   66   2HG1  VAL   9          HG11      VAL   9   6.496   0.740   1.145
   67   3HG1  VAL   9          HG13      VAL   9   6.083   2.439   1.363
   68   1HG2  VAL   9          HG21      VAL   9   7.439   0.222   4.581
   69   2HG2  VAL   9          HG23      VAL   9   6.130  -0.714   3.860
   70   3HG2  VAL   9          HG22      VAL   9   7.567  -0.331   2.911
   71    HA   PRO  10           HA       PRO  10  10.582   3.832   4.603
   72   1HB   PRO  10           HB2      PRO  10  10.769   4.015   7.421
   73   2HB   PRO  10           HB1      PRO  10  10.549   5.353   6.289
   74   1HG   PRO  10           HG2      PRO  10   8.617   4.186   8.139
   75   2HG   PRO  10           HG1      PRO  10   8.507   5.689   7.216
   76   1HD   PRO  10           HD2      PRO  10   7.094   3.265   6.705
   77   2HD   PRO  10           HD1      PRO  10   7.151   4.715   5.673
   78    H    GLY  11           HN       GLY  11   8.948   1.152   5.893
   79   1HA   GLY  11           HA2      GLY  11  10.674  -0.279   7.491
   80   2HA   GLY  11           HA1      GLY  11   9.747  -1.051   6.202
   81    H    MET  12           HN       MET  12  11.079   0.470   4.085
   82    HA   MET  12           HA       MET  12  13.911  -0.413   4.272
   83   1HB   MET  12           HB2      MET  12  11.833  -1.359   2.275
   84   2HB   MET  12           HB1      MET  12  13.566  -1.609   2.062
   85   1HG   MET  12           HG2      MET  12  11.910  -2.599   4.403
   86   2HG   MET  12           HG1      MET  12  12.531  -3.593   3.086
   87   1HE   MET  12           HE1      MET  12  15.063  -2.699   2.314
   88   2HE   MET  12           HE3      MET  12  16.340  -3.267   3.399
   89   3HE   MET  12           HE2      MET  12  15.083  -4.375   2.857
   90    H    THR  13           HN       THR  13  14.479  -0.001   1.509
   91    HA   THR  13           HA       THR  13  13.362   2.411   0.439
   92    HB   THR  13           HB       THR  13  14.208   3.480   2.408
   93    HG1  THR  13           HG1      THR  13  15.987   4.715   1.490
   94   1HG2  THR  13          HG23      THR  13  16.335   1.494   2.096
   95   2HG2  THR  13          HG22      THR  13  16.951   3.099   2.492
   96   3HG2  THR  13          HG21      THR  13  15.774   2.320   3.549
   97    H    CYS  14           HN       CYS  14  13.835   0.568  -1.227
   98    HA   CYS  14           HA       CYS  14  16.096   1.395  -2.837
   99   1HB   CYS  14           HB2      CYS  14  17.677  -0.086  -2.148
  100   2HB   CYS  14           HB1      CYS  14  16.652  -0.366  -0.749
  101    H    ALA  15           HN       ALA  15  16.322  -0.467  -4.690
  102    HA   ALA  15           HA       ALA  15  13.634  -0.715  -5.814
  103   1HB   ALA  15           HB2      ALA  15  16.204  -0.452  -6.757
  104   2HB   ALA  15           HB1      ALA  15  15.889  -2.161  -7.056
  105   3HB   ALA  15           HB3      ALA  15  14.828  -0.934  -7.748
  106    H    ALA  16           HN       ALA  16  12.919  -2.172  -3.886
  107    HA   ALA  16           HA       ALA  16  12.725  -4.889  -4.754
  108   1HB   ALA  16           HB3      ALA  16  15.210  -4.323  -3.847
  109   2HB   ALA  16           HB2      ALA  16  14.443  -4.810  -2.335
  110   3HB   ALA  16           HB1      ALA  16  14.479  -5.922  -3.705
  111    H    CYS  17           HN       CYS  17  13.019  -3.059  -1.655
  112    HA   CYS  17           HA       CYS  17  10.847  -4.664  -0.487
  113   1HB   CYS  17           HB2      CYS  17  12.244  -2.254   0.675
  114   2HB   CYS  17           HB1      CYS  17  11.469  -3.575   1.543
  115    HA   PRO  18           HA       PRO  18   8.713  -0.330  -0.438
  116   1HB   PRO  18           HB2      PRO  18   9.565   1.156  -2.705
  117   2HB   PRO  18           HB1      PRO  18   9.869   1.534  -1.009
  118   1HG   PRO  18           HG2      PRO  18  11.734   0.554  -3.001
  119   2HG   PRO  18           HG1      PRO  18  12.066   1.120  -1.363
  120   1HD   PRO  18           HD2      PRO  18  12.139  -1.572  -2.315
  121   2HD   PRO  18           HD1      PRO  18  12.338  -1.026  -0.634
  122    H    ILE  19           HN       ILE  19   9.824  -1.471  -3.635
  123    HA   ILE  19           HA       ILE  19   7.293  -1.237  -4.972
  124    HB   ILE  19           HB       ILE  19   9.740  -2.986  -5.370
  125   1HG1  ILE  19          HG12      ILE  19   8.761  -0.368  -6.536
  126   2HG1  ILE  19          HG11      ILE  19  10.268  -0.671  -5.672
  127   1HG2  ILE  19          HG23      ILE  19   7.334  -3.621  -6.423
  128   2HG2  ILE  19          HG22      ILE  19   7.868  -2.440  -7.618
  129   3HG2  ILE  19          HG21      ILE  19   8.848  -3.870  -7.291
  130   1HD1  ILE  19          HD13      ILE  19  10.921  -2.245  -7.540
  131   2HD1  ILE  19          HD12      ILE  19   9.504  -1.679  -8.425
  132   3HD1  ILE  19          HD11      ILE  19  10.800  -0.553  -8.022
  133    H    THR  20           HN       THR  20   8.598  -3.648  -2.749
  134    HA   THR  20           HA       THR  20   6.865  -5.840  -3.415
  135    HB   THR  20           HB       THR  20   8.137  -4.967  -0.786
  136    HG1  THR  20           HG1      THR  20   8.945  -6.623  -2.933
  137   1HG2  THR  20          HG21      THR  20   6.273  -6.570  -0.494
  138   2HG2  THR  20          HG23      THR  20   7.043  -7.661  -1.645
  139   3HG2  THR  20          HG22      THR  20   7.829  -7.303  -0.106
  140    H    VAL  21           HN       VAL  21   6.463  -2.842  -1.744
  141    HA   VAL  21           HA       VAL  21   4.091  -3.527  -0.272
  142    HB   VAL  21           HB       VAL  21   5.121  -0.861  -1.297
  143   1HG1  VAL  21          HG11      VAL  21   2.838  -1.661   0.322
  144   2HG1  VAL  21          HG13      VAL  21   3.902  -0.567   1.206
  145   3HG1  VAL  21          HG12      VAL  21   3.228  -0.078  -0.349
  146   1HG2  VAL  21          HG22      VAL  21   6.156  -2.716   0.681
  147   2HG2  VAL  21          HG21      VAL  21   6.861  -1.207   0.101
  148   3HG2  VAL  21          HG23      VAL  21   5.710  -1.187   1.437
  149    H    LYS  22           HN       LYS  22   4.832  -2.351  -3.510
  150    HA   LYS  22           HA       LYS  22   2.180  -1.610  -4.282
  151   1HB   LYS  22           HB2      LYS  22   3.939  -0.895  -5.685
  152   2HB   LYS  22           HB1      LYS  22   4.714  -2.476  -5.673
  153   1HG   LYS  22           HG2      LYS  22   3.502  -3.191  -7.441
  154   2HG   LYS  22           HG1      LYS  22   2.000  -2.570  -6.756
  155   1HD   LYS  22           HD2      LYS  22   2.801  -0.246  -7.445
  156   2HD   LYS  22           HD1      LYS  22   4.058  -1.061  -8.378
  157   1HE   LYS  22           HE2      LYS  22   1.922  -2.466  -9.244
  158   2HE   LYS  22           HE1      LYS  22   1.127  -0.920  -8.886
  159   1HZ   LYS  22           HZ2      LYS  22   3.112   0.124 -10.051
  160   2HZ   LYS  22           HZ1      LYS  22   3.435  -1.426 -10.669
  161   3HZ   LYS  22           HZ3      LYS  22   1.970  -0.655 -11.039
  162    H    LYS  23           HN       LYS  23   4.022  -4.617  -4.300
  163    HA   LYS  23           HA       LYS  23   2.034  -6.190  -5.635
  164   1HB   LYS  23           HB2      LYS  23   4.450  -6.660  -3.927
  165   2HB   LYS  23           HB1      LYS  23   3.414  -8.028  -4.333
  166   1HG   LYS  23           HG2      LYS  23   5.364  -7.572  -5.933
  167   2HG   LYS  23           HG1      LYS  23   3.770  -7.738  -6.671
  168   1HD   LYS  23           HD2      LYS  23   3.529  -5.360  -6.891
  169   2HD   LYS  23           HD1      LYS  23   4.945  -5.061  -5.883
  170   1HE   LYS  23           HE2      LYS  23   6.044  -4.895  -7.887
  171   2HE   LYS  23           HE1      LYS  23   5.993  -6.669  -7.866
  172   1HZ   LYS  23           HZ1      LYS  23   3.577  -6.234  -8.739
  173   2HZ   LYS  23           HZ3      LYS  23   4.255  -4.779  -9.286
  174   3HZ   LYS  23           HZ2      LYS  23   4.892  -6.263  -9.813
  175    H    ALA  24           HN       ALA  24   2.616  -5.274  -2.339
  176    HA   ALA  24           HA       ALA  24   0.903  -7.092  -0.992
  177   1HB   ALA  24           HB2      ALA  24   2.665  -5.114  -0.344
  178   2HB   ALA  24           HB1      ALA  24   1.133  -4.326   0.032
  179   3HB   ALA  24           HB3      ALA  24   1.557  -5.849   0.813
  180    H    LEU  25           HN       LEU  25   0.276  -3.724  -2.083
  181    HA   LEU  25           HA       LEU  25  -2.537  -3.807  -1.381
  182   1HB   LEU  25           HB2      LEU  25  -1.277  -2.045  -3.486
  183   2HB   LEU  25           HB1      LEU  25  -2.581  -1.651  -2.370
  184    HG   LEU  25           HG       LEU  25  -0.313  -2.404  -0.814
  185   1HD1  LEU  25          HD13      LEU  25   0.802  -1.772  -3.070
  186   2HD1  LEU  25          HD12      LEU  25   0.345  -0.119  -2.665
  187   3HD1  LEU  25          HD11      LEU  25   1.423  -1.022  -1.601
  188   1HD2  LEU  25          HD21      LEU  25  -2.345  -0.561  -0.752
  189   2HD2  LEU  25          HD23      LEU  25  -0.961  -0.548   0.340
  190   3HD2  LEU  25          HD22      LEU  25  -0.954   0.464  -1.104
  191    H    SER  26           HN       SER  26  -0.656  -4.710  -4.189
  192    HA   SER  26           HA       SER  26  -2.789  -4.796  -6.114
  193   1HB   SER  26           HB2      SER  26   0.009  -5.705  -5.796
  194   2HB   SER  26           HB1      SER  26  -0.955  -6.681  -6.903
  195    HG   SER  26           HG       SER  26  -1.600  -4.570  -7.818
  196    H    LYS  27           HN       LYS  27  -1.733  -6.905  -3.530
  197    HA   LYS  27           HA       LYS  27  -3.875  -8.815  -4.330
  198   1HB   LYS  27           HB2      LYS  27  -2.397 -10.605  -3.529
  199   2HB   LYS  27           HB1      LYS  27  -1.557  -9.638  -4.743
  200   1HG   LYS  27           HG2      LYS  27   0.053  -9.751  -3.060
  201   2HG   LYS  27           HG1      LYS  27  -0.769  -8.245  -2.653
  202   1HD   LYS  27           HD2      LYS  27  -1.550  -9.074  -0.715
  203   2HD   LYS  27           HD1      LYS  27  -2.097 -10.560  -1.491
  204   1HE   LYS  27           HE2      LYS  27   0.609 -10.934  -1.561
  205   2HE   LYS  27           HE1      LYS  27   0.432 -10.024  -0.048
  206   1HZ   LYS  27           HZ2      LYS  27  -1.391 -11.530   0.564
  207   2HZ   LYS  27           HZ1      LYS  27  -1.098 -12.448  -0.836
  208   3HZ   LYS  27           HZ3      LYS  27   0.081 -12.358   0.380
  209    H    VAL  28           HN       VAL  28  -3.486  -6.457  -2.281
  210    HA   VAL  28           HA       VAL  28  -3.528  -7.519   0.359
  211    HB   VAL  28           HB       VAL  28  -3.220  -5.150  -0.220
  212   1HG1  VAL  28          HG12      VAL  28  -4.993  -5.329  -2.104
  213   2HG1  VAL  28          HG11      VAL  28  -6.167  -4.992  -0.832
  214   3HG1  VAL  28          HG13      VAL  28  -4.904  -3.819  -1.198
  215   1HG2  VAL  28          HG23      VAL  28  -5.440  -6.007   1.592
  216   2HG2  VAL  28          HG22      VAL  28  -3.907  -5.229   1.989
  217   3HG2  VAL  28          HG21      VAL  28  -5.227  -4.279   1.307
  218    H    GLU  29           HN       GLU  29  -6.270  -6.768  -1.841
  219    HA   GLU  29           HA       GLU  29  -7.868  -8.976  -1.027
  220   1HB   GLU  29           HB2      GLU  29  -7.752  -6.660   0.765
  221   2HB   GLU  29           HB1      GLU  29  -9.400  -7.088   0.306
  222   1HG   GLU  29           HG2      GLU  29  -8.227  -9.548   0.795
  223   2HG   GLU  29           HG1      GLU  29  -7.526  -8.514   2.039
  224    H    GLY  30           HN       GLY  30  -9.191  -5.707  -1.012
  225   1HA   GLY  30           HA2      GLY  30 -10.621  -6.356  -3.539
  226   2HA   GLY  30           HA1      GLY  30 -11.111  -5.131  -2.374
  227    H    VAL  31           HN       VAL  31  -7.788  -4.966  -2.891
  228    HA   VAL  31           HA       VAL  31  -7.580  -2.382  -3.832
  229    HB   VAL  31           HB       VAL  31  -5.711  -3.881  -3.241
  230   1HG1  VAL  31          HG13      VAL  31  -6.819  -5.778  -4.678
  231   2HG1  VAL  31          HG12      VAL  31  -5.875  -5.078  -5.993
  232   3HG1  VAL  31          HG11      VAL  31  -5.062  -5.700  -4.557
  233   1HG2  VAL  31          HG23      VAL  31  -5.759  -1.926  -5.236
  234   2HG2  VAL  31          HG22      VAL  31  -4.320  -2.557  -4.436
  235   3HG2  VAL  31          HG21      VAL  31  -4.858  -3.258  -5.962
  236    H    SER  32           HN       SER  32  -8.159  -1.324  -5.615
  237    HA   SER  32           HA       SER  32  -9.030  -2.889  -8.007
  238   1HB   SER  32           HB2      SER  32 -10.555  -1.293  -6.571
  239   2HB   SER  32           HB1      SER  32  -9.710  -0.012  -7.436
  240    HG   SER  32           HG       SER  32 -10.363  -1.025  -9.384
  241    H    LYS  33           HN       LYS  33  -6.763  -0.664  -6.753
  242    HA   LYS  33           HA       LYS  33  -5.338  -0.566  -9.324
  243   1HB   LYS  33           HB2      LYS  33  -6.673   1.215  -9.931
  244   2HB   LYS  33           HB1      LYS  33  -7.024   1.655  -8.266
  245   1HG   LYS  33           HG2      LYS  33  -5.115   2.949  -8.059
  246   2HG   LYS  33           HG1      LYS  33  -4.217   1.998  -9.244
  247   1HD   LYS  33           HD2      LYS  33  -6.456   3.153 -10.584
  248   2HD   LYS  33           HD1      LYS  33  -5.661   4.431  -9.664
  249   1HE   LYS  33           HE2      LYS  33  -3.543   2.973 -10.782
  250   2HE   LYS  33           HE1      LYS  33  -4.747   3.097 -12.082
  251   1HZ   LYS  33           HZ3      LYS  33  -4.991   5.489 -11.414
  252   2HZ   LYS  33           HZ2      LYS  33  -3.603   5.296 -10.452
  253   3HZ   LYS  33           HZ1      LYS  33  -3.508   5.097 -12.136
  254    H    VAL  34           HN       VAL  34  -3.175   0.420  -9.033
  255    HA   VAL  34           HA       VAL  34  -2.360   1.152  -6.293
  256    HB   VAL  34           HB       VAL  34  -2.449  -1.300  -6.276
  257   1HG1  VAL  34          HG12      VAL  34  -0.853  -0.946  -8.801
  258   2HG1  VAL  34          HG11      VAL  34  -0.695  -2.424  -7.854
  259   3HG1  VAL  34          HG13      VAL  34  -2.263  -1.965  -8.517
  260   1HG2  VAL  34          HG23      VAL  34   0.015   0.249  -5.971
  261   2HG2  VAL  34          HG22      VAL  34  -0.659  -0.996  -4.920
  262   3HG2  VAL  34          HG21      VAL  34   0.332  -1.453  -6.305
  263    H    ASP  35           HN       ASP  35  -0.283   2.113  -6.244
  264    HA   ASP  35           HA       ASP  35   1.523   2.138  -8.520
  265   1HB   ASP  35           HB2      ASP  35   1.104   4.506  -9.123
  266   2HB   ASP  35           HB1      ASP  35  -0.356   3.543  -9.347
  267    H    VAL  36           HN       VAL  36   3.168   1.800  -6.941
  268    HA   VAL  36           HA       VAL  36   3.354   3.823  -4.746
  269    HB   VAL  36           HB       VAL  36   4.434   2.126  -3.504
  270   1HG1  VAL  36          HG13      VAL  36   2.480   0.724  -5.352
  271   2HG1  VAL  36          HG12      VAL  36   3.005   0.128  -3.777
  272   3HG1  VAL  36          HG11      VAL  36   2.061   1.614  -3.887
  273   1HG2  VAL  36          HG21      VAL  36   4.974   0.831  -6.190
  274   2HG2  VAL  36          HG23      VAL  36   6.155   1.439  -5.031
  275   3HG2  VAL  36          HG22      VAL  36   5.221  -0.007  -4.659
  276    H    GLY  37           HN       GLY  37   6.041   3.264  -4.117
  277   1HA   GLY  37           HA2      GLY  37   7.638   4.026  -6.485
  278   2HA   GLY  37           HA1      GLY  37   7.601   5.170  -5.140
  279    H    PHE  38           HN       PHE  38   9.426   2.800  -6.407
  280    HA   PHE  38           HA       PHE  38  10.157   1.005  -4.395
  281   1HB   PHE  38           HB2      PHE  38  12.144   0.742  -5.724
  282   2HB   PHE  38           HB1      PHE  38  10.823   1.125  -6.821
  283    HD1  PHE  38           HD1      PHE  38  10.841   4.206  -5.893
  284    HD2  PHE  38           HD2      PHE  38  13.818   1.465  -7.342
  285    HE1  PHE  38           HE1      PHE  38  12.161   6.102  -6.765
  286    HE2  PHE  38           HE2      PHE  38  15.140   3.372  -8.212
  287    HZ   PHE  38           HZ       PHE  38  14.311   5.690  -7.925
  288    H    GLU  39           HN       GLU  39  13.108   2.203  -4.576
  289    HA   GLU  39           HA       GLU  39  13.925   2.733  -2.140
  290   1HB   GLU  39           HB2      GLU  39  14.869   3.346  -4.538
  291   2HB   GLU  39           HB1      GLU  39  14.415   4.980  -4.052
  292   1HG   GLU  39           HG2      GLU  39  15.667   4.019  -1.790
  293   2HG   GLU  39           HG1      GLU  39  16.612   3.288  -3.088
  294    H    LYS  40           HN       LYS  40  11.787   5.101  -3.782
  295    HA   LYS  40           HA       LYS  40  11.854   6.943  -1.499
  296   1HB   LYS  40           HB2      LYS  40  11.481   7.293  -4.091
  297   2HB   LYS  40           HB1      LYS  40   9.794   6.974  -3.682
  298   1HG   LYS  40           HG2      LYS  40  10.189   8.722  -1.778
  299   2HG   LYS  40           HG1      LYS  40  11.568   9.221  -2.758
  300   1HD   LYS  40           HD2      LYS  40  10.130  10.470  -3.965
  301   2HD   LYS  40           HD1      LYS  40   9.468   8.959  -4.590
  302   1HE   LYS  40           HE2      LYS  40   7.724   8.923  -2.970
  303   2HE   LYS  40           HE1      LYS  40   8.532  10.141  -1.962
  304   1HZ   LYS  40           HZ3      LYS  40   8.428  11.504  -4.178
  305   2HZ   LYS  40           HZ2      LYS  40   7.109  10.482  -4.507
  306   3HZ   LYS  40           HZ1      LYS  40   7.098  11.470  -3.125
  307    H    ARG  41           HN       ARG  41  10.909   4.175  -0.942
  308    HA   ARG  41           HA       ARG  41   8.784   3.043  -0.381
  309   1HB   ARG  41           HB2      ARG  41   8.753   3.535   2.028
  310   2HB   ARG  41           HB1      ARG  41  10.410   3.465   1.426
  311   1HG   ARG  41           HG2      ARG  41  10.765   5.574   2.122
  312   2HG   ARG  41           HG1      ARG  41   9.447   6.139   1.095
  313   1HD   ARG  41           HD2      ARG  41   8.042   6.376   2.869
  314   2HD   ARG  41           HD1      ARG  41   8.504   4.797   3.542
  315    HE   ARG  41           HE       ARG  41  10.762   6.384   3.899
  316   1HH1  ARG  41          HH21      ARG  41   7.413   6.584   4.722
  317   2HH1  ARG  41          HH22      ARG  41   7.693   7.474   6.180
  318   1HH2  ARG  41          HH11      ARG  41  11.138   7.540   5.798
  319   2HH2  ARG  41          HH12      ARG  41   9.799   8.015   6.789
  320    H    GLU  42           HN       GLU  42   7.056   3.945  -1.757
  321    HA   GLU  42           HA       GLU  42   5.172   5.585  -0.163
  322   1HB   GLU  42           HB2      GLU  42   6.831   7.072  -1.472
  323   2HB   GLU  42           HB1      GLU  42   5.998   6.512  -2.923
  324   1HG   GLU  42           HG2      GLU  42   4.534   7.732  -0.573
  325   2HG   GLU  42           HG1      GLU  42   5.130   8.694  -1.926
  326    H    ALA  43           HN       ALA  43   3.388   4.196  -0.367
  327    HA   ALA  43           HA       ALA  43   2.839   3.136  -3.111
  328   1HB   ALA  43           HB2      ALA  43   2.393   2.124  -0.313
  329   2HB   ALA  43           HB1      ALA  43   1.477   1.456  -1.664
  330   3HB   ALA  43           HB3      ALA  43   3.237   1.338  -1.648
  331    H    VAL  44           HN       VAL  44   1.188   4.190  -4.100
  332    HA   VAL  44           HA       VAL  44  -1.027   5.296  -2.418
  333    HB   VAL  44           HB       VAL  44   0.362   6.057  -4.958
  334   1HG1  VAL  44          HG12      VAL  44  -2.034   5.695  -5.609
  335   2HG1  VAL  44          HG11      VAL  44  -2.504   6.859  -4.371
  336   3HG1  VAL  44          HG13      VAL  44  -1.528   7.379  -5.745
  337   1HG2  VAL  44          HG23      VAL  44   0.233   7.087  -2.415
  338   2HG2  VAL  44          HG22      VAL  44   0.709   8.005  -3.843
  339   3HG2  VAL  44          HG21      VAL  44  -0.955   8.077  -3.265
  340    H    VAL  45           HN       VAL  45  -2.860   4.017  -2.483
  341    HA   VAL  45           HA       VAL  45  -3.343   2.516  -5.040
  342    HB   VAL  45           HB       VAL  45  -3.400   1.425  -2.215
  343   1HG1  VAL  45          HG12      VAL  45  -4.917   0.518  -4.258
  344   2HG1  VAL  45          HG11      VAL  45  -3.417  -0.339  -4.610
  345   3HG1  VAL  45          HG13      VAL  45  -4.209  -0.553  -3.049
  346   1HG2  VAL  45          HG23      VAL  45  -1.465   1.032  -4.518
  347   2HG2  VAL  45          HG22      VAL  45  -1.119   1.824  -2.980
  348   3HG2  VAL  45          HG21      VAL  45  -1.449   0.092  -3.027
  349    H    THR  46           HN       THR  46  -5.456   1.934  -5.458
  350    HA   THR  46           HA       THR  46  -7.600   3.297  -3.859
  351    HB   THR  46           HB       THR  46  -7.105   2.670  -6.768
  352    HG1  THR  46           HG1      THR  46  -7.253   4.780  -6.932
  353   1HG2  THR  46          HG22      THR  46  -9.324   1.717  -6.261
  354   2HG2  THR  46          HG21      THR  46  -9.817   3.246  -5.535
  355   3HG2  THR  46          HG23      THR  46  -9.474   3.160  -7.263
  356    H    PHE  47           HN       PHE  47  -9.667   1.950  -3.780
  357    HA   PHE  47           HA       PHE  47  -9.581  -0.829  -4.553
  358   1HB   PHE  47           HB2      PHE  47  -9.266  -1.763  -2.309
  359   2HB   PHE  47           HB1      PHE  47  -7.889  -0.738  -2.721
  360    HD1  PHE  47           HD2      PHE  47 -11.003  -0.968  -0.709
  361    HD2  PHE  47           HD1      PHE  47  -7.521   1.394  -1.632
  362    HE1  PHE  47           HE2      PHE  47 -11.445   0.465   1.257
  363    HE2  PHE  47           HE1      PHE  47  -7.972   2.818   0.343
  364    HZ   PHE  47           HZ       PHE  47  -9.927   2.351   1.785
  365    H    ASP  48           HN       ASP  48 -11.296  -2.038  -3.077
  366    HA   ASP  48           HA       ASP  48 -13.658  -0.225  -2.944
  367   1HB   ASP  48           HB2      ASP  48 -13.204  -3.163  -3.480
  368   2HB   ASP  48           HB1      ASP  48 -14.796  -2.588  -2.982
  369    H    ASP  49           HN       ASP  49 -14.237   0.292  -0.874
  370    HA   ASP  49           HA       ASP  49 -12.885  -0.835   1.387
  371   1HB   ASP  49           HB2      ASP  49 -14.101   0.759   2.581
  372   2HB   ASP  49           HB1      ASP  49 -14.153   1.429   0.954
  373    H    THR  50           HN       THR  50 -15.296  -2.236  -0.487
  374    HA   THR  50           HA       THR  50 -16.842  -3.551   1.602
  375    HB   THR  50           HB       THR  50 -17.592  -4.907  -0.412
  376    HG1  THR  50           HG1      THR  50 -16.415  -4.805  -2.126
  377   1HG2  THR  50          HG22      THR  50 -17.738  -1.964  -0.105
  378   2HG2  THR  50          HG21      THR  50 -18.218  -2.592  -1.681
  379   3HG2  THR  50          HG23      THR  50 -19.037  -3.151  -0.223
  380    H    LYS  51           HN       LYS  51 -13.862  -4.228  -0.140
  381    HA   LYS  51           HA       LYS  51 -13.657  -6.832   1.337
  382   1HB   LYS  51           HB2      LYS  51 -13.281  -6.057  -1.502
  383   2HB   LYS  51           HB1      LYS  51 -12.069  -7.160  -0.849
  384   1HG   LYS  51           HG2      LYS  51 -14.779  -7.905  -0.050
  385   2HG   LYS  51           HG1      LYS  51 -14.579  -7.888  -1.802
  386   1HD   LYS  51           HD2      LYS  51 -12.694  -9.297   0.109
  387   2HD   LYS  51           HD1      LYS  51 -13.999 -10.098  -0.767
  388   1HE   LYS  51           HE2      LYS  51 -12.974  -9.720  -2.874
  389   2HE   LYS  51           HE1      LYS  51 -11.892  -8.477  -2.216
  390   1HZ   LYS  51           HZ3      LYS  51 -11.301 -10.496  -0.618
  391   2HZ   LYS  51           HZ2      LYS  51 -11.726 -11.380  -2.005
  392   3HZ   LYS  51           HZ1      LYS  51 -10.481 -10.225  -2.078
  393    H    ALA  52           HN       ALA  52 -12.358  -3.756   0.917
  394    HA   ALA  52           HA       ALA  52  -9.870  -4.546   2.356
  395   1HB   ALA  52           HB2      ALA  52 -10.132  -3.581  -0.425
  396   2HB   ALA  52           HB1      ALA  52  -8.930  -2.720   0.537
  397   3HB   ALA  52           HB3      ALA  52  -8.810  -4.467   0.335
  398    H    SER  53           HN       SER  53  -8.610  -2.139   2.447
  399    HA   SER  53           HA       SER  53 -10.307   0.146   2.855
  400   1HB   SER  53           HB2      SER  53 -11.230  -1.271   4.609
  401   2HB   SER  53           HB1      SER  53  -9.617  -1.598   5.235
  402    HG   SER  53           HG       SER  53 -10.860   0.102   6.320
  403    H    VAL  54           HN       VAL  54  -9.065   1.956   3.574
  404    HA   VAL  54           HA       VAL  54  -6.410   2.225   2.903
  405    HB   VAL  54           HB       VAL  54  -7.827   4.084   3.572
  406   1HG1  VAL  54          HG12      VAL  54  -8.797   2.465   5.494
  407   2HG1  VAL  54          HG11      VAL  54  -7.668   3.405   6.469
  408   3HG1  VAL  54          HG13      VAL  54  -8.950   4.220   5.573
  409   1HG2  VAL  54          HG23      VAL  54  -5.192   3.748   4.420
  410   2HG2  VAL  54          HG22      VAL  54  -6.073   5.274   4.351
  411   3HG2  VAL  54          HG21      VAL  54  -6.027   4.350   5.852
  412    H    GLN  55           HN       GLN  55  -7.695   1.014   5.985
  413    HA   GLN  55           HA       GLN  55  -5.154   0.713   7.305
  414   1HB   GLN  55           HB2      GLN  55  -7.759   0.544   8.010
  415   2HB   GLN  55           HB1      GLN  55  -7.405  -1.175   7.827
  416   1HG   GLN  55           HG2      GLN  55  -6.202  -1.216   9.734
  417   2HG   GLN  55           HG1      GLN  55  -5.274   0.204   9.249
  418   1HE2  GLN  55          HE22      GLN  55  -7.378   1.025  12.277
  419   2HE2  GLN  55          HE21      GLN  55  -6.243  -0.195  11.952
  420    H    LYS  56           HN       LYS  56  -7.200  -1.529   5.409
  421    HA   LYS  56           HA       LYS  56  -5.529  -3.821   5.587
  422   1HB   LYS  56           HB2      LYS  56  -7.808  -2.815   4.056
  423   2HB   LYS  56           HB1      LYS  56  -6.780  -3.879   3.096
  424   1HG   LYS  56           HG2      LYS  56  -7.523  -5.692   4.202
  425   2HG   LYS  56           HG1      LYS  56  -7.117  -4.961   5.755
  426   1HD   LYS  56           HD2      LYS  56  -9.323  -3.531   5.189
  427   2HD   LYS  56           HD1      LYS  56  -9.717  -5.005   4.304
  428   1HE   LYS  56           HE2      LYS  56 -10.060  -6.190   6.220
  429   2HE   LYS  56           HE1      LYS  56  -8.624  -5.498   7.001
  430   1HZ   LYS  56           HZ1      LYS  56 -10.765  -3.622   6.465
  431   2HZ   LYS  56           HZ3      LYS  56 -11.134  -4.801   7.627
  432   3HZ   LYS  56           HZ2      LYS  56  -9.787  -3.790   7.845
  433    H    LEU  57           HN       LEU  57  -5.184  -0.882   3.657
  434    HA   LEU  57           HA       LEU  57  -3.362  -2.059   1.699
  435   1HB   LEU  57           HB2      LEU  57  -3.666   0.823   2.600
  436   2HB   LEU  57           HB1      LEU  57  -3.065   0.257   1.043
  437    HG   LEU  57           HG       LEU  57  -5.873  -0.291   2.051
  438   1HD1  LEU  57          HD11      LEU  57  -4.918   2.168   1.401
  439   2HD1  LEU  57          HD13      LEU  57  -5.425   1.586  -0.183
  440   3HD1  LEU  57          HD12      LEU  57  -6.584   1.664   1.143
  441   1HD2  LEU  57          HD23      LEU  57  -4.383  -0.749  -0.529
  442   2HD2  LEU  57          HD22      LEU  57  -5.360  -1.889   0.396
  443   3HD2  LEU  57          HD21      LEU  57  -6.140  -0.597  -0.516
  444    H    THR  58           HN       THR  58  -2.954   0.065   4.533
  445    HA   THR  58           HA       THR  58  -0.090  -0.015   4.629
  446    HB   THR  58           HB       THR  58  -1.889   0.224   7.031
  447    HG1  THR  58           HG1      THR  58  -3.043   1.525   5.834
  448   1HG2  THR  58          HG21      THR  58   0.589   1.636   6.026
  449   2HG2  THR  58          HG23      THR  58  -0.324   2.173   7.435
  450   3HG2  THR  58          HG22      THR  58   0.450   0.588   7.437
  451    H    LYS  59           HN       LYS  59  -2.584  -2.258   5.454
  452    HA   LYS  59           HA       LYS  59  -0.986  -3.820   7.355
  453   1HB   LYS  59           HB2      LYS  59  -3.685  -3.511   6.620
  454   2HB   LYS  59           HB1      LYS  59  -3.266  -5.150   6.123
  455   1HG   LYS  59           HG2      LYS  59  -3.638  -5.713   8.285
  456   2HG   LYS  59           HG1      LYS  59  -2.074  -4.961   8.604
  457   1HD   LYS  59           HD2      LYS  59  -4.546  -3.256   8.495
  458   2HD   LYS  59           HD1      LYS  59  -4.179  -4.170   9.959
  459   1HE   LYS  59           HE2      LYS  59  -1.733  -3.062   9.426
  460   2HE   LYS  59           HE1      LYS  59  -2.825  -1.785   8.854
  461   1HZ   LYS  59           HZ1      LYS  59  -3.463  -3.151  11.368
  462   2HZ   LYS  59           HZ3      LYS  59  -2.228  -1.989  11.387
  463   3HZ   LYS  59           HZ2      LYS  59  -3.794  -1.553  10.893
  464    H    ALA  60           HN       ALA  60  -1.640  -3.727   3.905
  465    HA   ALA  60           HA       ALA  60  -0.691  -6.409   3.324
  466   1HB   ALA  60           HB2      ALA  60  -1.905  -4.245   1.992
  467   2HB   ALA  60           HB1      ALA  60  -0.343  -4.445   1.198
  468   3HB   ALA  60           HB3      ALA  60  -1.471  -5.799   1.279
  469    H    THR  61           HN       THR  61   0.812  -3.169   3.361
  470    HA   THR  61           HA       THR  61   3.451  -4.199   2.564
  471    HB   THR  61           HB       THR  61   2.573  -1.869   2.203
  472    HG1  THR  61           HG1      THR  61   4.911  -2.583   2.641
  473   1HG2  THR  61          HG22      THR  61   1.436  -1.724   4.432
  474   2HG2  THR  61          HG21      THR  61   3.026  -1.578   5.181
  475   3HG2  THR  61          HG23      THR  61   2.454  -0.330   4.073
  476    H    ALA  62           HN       ALA  62   1.753  -3.294   5.532
  477    HA   ALA  62           HA       ALA  62   3.897  -3.680   7.372
  478   1HB   ALA  62           HB2      ALA  62   0.886  -3.769   7.439
  479   2HB   ALA  62           HB1      ALA  62   1.795  -4.246   8.874
  480   3HB   ALA  62           HB3      ALA  62   1.973  -2.619   8.217
  481    H    ASP  63           HN       ASP  63   1.803  -5.835   5.593
  482    HA   ASP  63           HA       ASP  63   2.637  -8.199   7.163
  483   1HB   ASP  63           HB2      ASP  63   0.723  -7.576   4.917
  484   2HB   ASP  63           HB1      ASP  63   1.149  -9.250   5.269
  485    H    ALA  64           HN       ALA  64   3.530  -6.436   4.313
  486    HA   ALA  64           HA       ALA  64   4.843  -8.630   2.924
  487   1HB   ALA  64           HB2      ALA  64   4.105  -5.975   2.438
  488   2HB   ALA  64           HB1      ALA  64   5.868  -5.924   2.466
  489   3HB   ALA  64           HB3      ALA  64   5.035  -7.000   1.344
  490    H    GLY  65           HN       GLY  65   5.529  -6.614   5.625
  491   1HA   GLY  65           HA2      GLY  65   7.371  -7.321   7.121
  492   2HA   GLY  65           HA1      GLY  65   8.319  -7.655   5.673
  493    H    TYR  66           HN       TYR  66   6.276  -4.833   5.894
  494    HA   TYR  66           HA       TYR  66   8.704  -3.136   6.342
  495   1HB   TYR  66           HB2      TYR  66   6.608  -2.751   4.183
  496   2HB   TYR  66           HB1      TYR  66   8.081  -1.807   4.405
  497    HD1  TYR  66           HD1      TYR  66  10.150  -3.676   4.936
  498    HD2  TYR  66           HD2      TYR  66   6.821  -4.094   2.243
  499    HE1  TYR  66           HE1      TYR  66  11.444  -5.309   3.585
  500    HE2  TYR  66           HE2      TYR  66   8.116  -5.727   0.906
  501    HH   TYR  66           HH       TYR  66  10.047  -6.782   0.651
  502    HA   PRO  67           HA       PRO  67   5.465  -1.658   9.205
  503   1HB   PRO  67           HB2      PRO  67   7.547   0.028  10.293
  504   2HB   PRO  67           HB1      PRO  67   6.781  -1.380  11.035
  505   1HG   PRO  67           HG2      PRO  67   9.436  -1.190   9.984
  506   2HG   PRO  67           HG1      PRO  67   8.649  -2.607  10.685
  507   1HD   PRO  67           HD2      PRO  67   9.313  -2.144   7.917
  508   2HD   PRO  67           HD1      PRO  67   8.506  -3.566   8.623
  509    H    SER  68           HN       SER  68   4.358  -0.438   7.577
  510    HA   SER  68           HA       SER  68   5.557   2.203   6.846
  511   1HB   SER  68           HB2      SER  68   4.917   0.471   5.115
  512   2HB   SER  68           HB1      SER  68   3.242   0.685   5.612
  513    HG   SER  68           HG       SER  68   3.268   2.272   4.241
  514    H    SER  69           HN       SER  69   3.363   3.611   6.125
  515    HA   SER  69           HA       SER  69   1.449   3.632   8.400
  516   1HB   SER  69           HB2      SER  69   2.027   6.285   8.089
  517   2HB   SER  69           HB1      SER  69   2.817   5.256   9.280
  518    HG   SER  69           HG       SER  69   3.845   6.466   7.103
  519    H    VAL  70           HN       VAL  70  -0.234   5.536   7.780
  520    HA   VAL  70           HA       VAL  70  -0.592   5.517   4.823
  521    HB   VAL  70           HB       VAL  70  -1.731   3.700   6.151
  522   1HG1  VAL  70          HG13      VAL  70  -2.386   5.762   7.837
  523   2HG1  VAL  70          HG12      VAL  70  -3.881   5.561   6.925
  524   3HG1  VAL  70          HG11      VAL  70  -3.200   4.198   7.813
  525   1HG2  VAL  70          HG21      VAL  70  -2.563   5.147   3.943
  526   2HG2  VAL  70          HG23      VAL  70  -3.309   3.650   4.505
  527   3HG2  VAL  70          HG22      VAL  70  -3.973   5.209   4.994
  528    H    LYS  71           HN       LYS  71  -1.708   7.287   3.948
  529    HA   LYS  71           HA       LYS  71  -2.603   9.383   5.877
  530   1HB   LYS  71           HB2      LYS  71  -0.399  10.008   5.233
  531   2HB   LYS  71           HB1      LYS  71  -0.671   9.518   3.558
  532   1HG   LYS  71           HG2      LYS  71  -2.683  11.400   4.181
  533   2HG   LYS  71           HG1      LYS  71  -1.166  12.060   4.784
  534   1HD   LYS  71           HD2      LYS  71  -0.206  11.294   2.483
  535   2HD   LYS  71           HD1      LYS  71  -1.896  11.282   1.978
  536   1HE   LYS  71           HE2      LYS  71  -1.799  13.698   3.229
  537   2HE   LYS  71           HE1      LYS  71  -0.139  13.591   2.611
  538   1HZ   LYS  71           HZ3      LYS  71  -2.407  12.807   0.902
  539   2HZ   LYS  71           HZ2      LYS  71  -1.994  14.448   1.050
  540   3HZ   LYS  71           HZ1      LYS  71  -0.861  13.335   0.448
  541    H    GLN  72           HN       GLN  72  -4.720   8.392   5.165
  542    HA   GLN  72           HA       GLN  72  -5.696   8.394   2.497
  543   1HB   GLN  72           HB2      GLN  72  -7.931   8.593   3.754
  544   2HB   GLN  72           HB1      GLN  72  -6.881   7.259   4.239
  545   1HG   GLN  72           HG2      GLN  72  -6.454   8.168   6.289
  546   2HG   GLN  72           HG1      GLN  72  -6.421   9.816   5.661
  547   1HE2  GLN  72          HE22      GLN  72 -10.054   8.202   6.734
  548   2HE2  GLN  72          HE21      GLN  72  -8.789   7.162   6.288
   
  No H/Q in entry =         548
  Start of MODEL    4
    1   1H    ALA   1           HT1      ALA   1  17.575   3.303   0.369
    2   2H    ALA   1           HT3      ALA   1  18.558   2.026   0.898
    3   3H    ALA   1           HT2      ALA   1  18.652   2.557  -0.713
    4    HA   ALA   1           HA       ALA   1  16.513   1.699  -1.233
    5   1HB   ALA   1           HB1      ALA   1  18.146  -0.154   0.526
    6   2HB   ALA   1           HB3      ALA   1  16.977  -0.676  -0.687
    7   3HB   ALA   1           HB2      ALA   1  18.442   0.173  -1.182
    8    H    THR   2           HN       THR   2  15.570   3.289   0.738
    9    HA   THR   2           HA       THR   2  13.682   1.606   2.175
   10    HB   THR   2           HB       THR   2  14.523   3.343   4.121
   11    HG1  THR   2           HG1      THR   2  16.540   3.793   3.840
   12   1HG2  THR   2          HG21      THR   2  14.392   0.580   3.699
   13   2HG2  THR   2          HG23      THR   2  16.043   0.882   4.243
   14   3HG2  THR   2          HG22      THR   2  14.679   1.396   5.236
   15    H    GLN   3           HN       GLN   3  12.145   2.729   0.866
   16    HA   GLN   3           HA       GLN   3  12.072   5.709   1.214
   17   1HB   GLN   3           HB2      GLN   3  10.666   4.101  -0.917
   18   2HB   GLN   3           HB1      GLN   3  11.142   5.798  -0.962
   19   1HG   GLN   3           HG2      GLN   3  13.520   4.357  -0.496
   20   2HG   GLN   3           HG1      GLN   3  12.660   3.467  -1.752
   21   1HE2  GLN   3          HE22      GLN   3  14.686   6.236  -3.320
   22   2HE2  GLN   3          HE21      GLN   3  15.080   4.951  -2.283
   23    H    THR   4           HN       THR   4   9.593   6.351   0.524
   24    HA   THR   4           HA       THR   4   7.613   4.708   1.985
   25    HB   THR   4           HB       THR   4   8.229   7.581   2.758
   26    HG1  THR   4           HG1      THR   4   9.531   6.827   4.262
   27   1HG2  THR   4          HG22      THR   4   6.198   5.584   3.484
   28   2HG2  THR   4          HG21      THR   4   6.993   6.327   4.872
   29   3HG2  THR   4          HG23      THR   4   6.173   7.336   3.681
   30    H    VAL   5           HN       VAL   5   5.416   5.475   1.525
   31    HA   VAL   5           HA       VAL   5   4.910   7.753  -0.227
   32    HB   VAL   5           HB       VAL   5   5.858   6.552  -1.961
   33   1HG1  VAL   5          HG13      VAL   5   5.093   4.212  -0.325
   34   2HG1  VAL   5          HG12      VAL   5   5.060   3.958  -2.070
   35   3HG1  VAL   5          HG11      VAL   5   6.545   4.491  -1.286
   36   1HG2  VAL   5          HG23      VAL   5   2.989   5.595  -1.875
   37   2HG2  VAL   5          HG22      VAL   5   3.571   7.094  -2.601
   38   3HG2  VAL   5          HG21      VAL   5   4.027   5.542  -3.297
   39    H    THR   6           HN       THR   6   2.684   7.661  -1.046
   40    HA   THR   6           HA       THR   6   0.890   6.277   0.901
   41    HB   THR   6           HB       THR   6   0.826   8.717   1.014
   42    HG1  THR   6           HG1      THR   6  -1.419   8.872  -0.142
   43   1HG2  THR   6          HG23      THR   6   0.845   8.412  -1.941
   44   2HG2  THR   6          HG22      THR   6  -0.106   9.746  -1.288
   45   3HG2  THR   6          HG21      THR   6   1.616   9.633  -0.929
   46    H    LEU   7           HN       LEU   7  -1.251   5.618  -0.146
   47    HA   LEU   7           HA       LEU   7  -0.839   4.980  -3.042
   48   1HB   LEU   7           HB2      LEU   7  -0.940   3.242  -0.728
   49   2HB   LEU   7           HB1      LEU   7  -2.225   2.835  -1.863
   50    HG   LEU   7           HG       LEU   7  -0.671   2.560  -3.654
   51   1HD1  LEU   7          HD12      LEU   7   1.226   3.908  -1.762
   52   2HD1  LEU   7          HD11      LEU   7   1.840   2.896  -3.071
   53   3HD1  LEU   7          HD13      LEU   7   0.856   4.308  -3.435
   54   1HD2  LEU   7          HD23      LEU   7  -0.637   0.948  -1.414
   55   2HD2  LEU   7          HD22      LEU   7   0.147   0.556  -2.944
   56   3HD2  LEU   7          HD21      LEU   7   1.075   1.302  -1.645
   57    H    ALA   8           HN       ALA   8  -2.661   4.937  -4.298
   58    HA   ALA   8           HA       ALA   8  -5.196   5.901  -2.995
   59   1HB   ALA   8           HB2      ALA   8  -3.621   6.766  -5.219
   60   2HB   ALA   8           HB1      ALA   8  -5.154   6.170  -5.856
   61   3HB   ALA   8           HB3      ALA   8  -5.142   7.451  -4.644
   62    H    VAL   9           HN       VAL   9  -6.242   3.906  -2.571
   63    HA   VAL   9           HA       VAL   9  -6.469   2.017  -4.890
   64    HB   VAL   9           HB       VAL   9  -5.388   1.076  -2.961
   65   1HG1  VAL   9          HG11      VAL   9  -7.737   2.243  -1.453
   66   2HG1  VAL   9          HG13      VAL   9  -6.657   1.038  -0.755
   67   3HG1  VAL   9          HG12      VAL   9  -6.028   2.613  -1.236
   68   1HG2  VAL   9          HG21      VAL   9  -7.275  -0.213  -4.156
   69   2HG2  VAL   9          HG23      VAL   9  -6.775  -0.803  -2.572
   70   3HG2  VAL   9          HG22      VAL   9  -8.250   0.148  -2.731
   71    HA   PRO  10           HA       PRO  10 -10.716   3.841  -4.393
   72   1HB   PRO  10           HB2      PRO  10 -11.029   3.675  -7.208
   73   2HB   PRO  10           HB1      PRO  10 -10.725   5.132  -6.258
   74   1HG   PRO  10           HG2      PRO  10  -8.916   3.718  -8.040
   75   2HG   PRO  10           HG1      PRO  10  -8.694   5.282  -7.250
   76   1HD   PRO  10           HD2      PRO  10  -7.406   2.809  -6.591
   77   2HD   PRO  10           HD1      PRO  10  -7.285   4.358  -5.721
   78    H    GLY  11           HN       GLY  11  -9.303   0.938  -5.443
   79   1HA   GLY  11           HA2      GLY  11 -11.208  -0.563  -6.750
   80   2HA   GLY  11           HA1      GLY  11 -10.231  -1.237  -5.444
   81    H    MET  12           HN       MET  12 -11.212   0.246  -3.286
   82    HA   MET  12           HA       MET  12 -14.145  -0.318  -3.247
   83   1HB   MET  12           HB2      MET  12 -11.957  -1.372  -1.442
   84   2HB   MET  12           HB1      MET  12 -13.650  -1.367  -0.947
   85   1HG   MET  12           HG2      MET  12 -13.143  -2.460  -3.647
   86   2HG   MET  12           HG1      MET  12 -12.475  -3.412  -2.321
   87   1HE   MET  12           HE3      MET  12 -15.340  -1.017  -1.767
   88   2HE   MET  12           HE2      MET  12 -15.714  -1.435  -3.437
   89   3HE   MET  12           HE1      MET  12 -16.812  -1.921  -2.148
   90    H    THR  13           HN       THR  13 -14.418   0.253  -0.451
   91    HA   THR  13           HA       THR  13 -13.072   2.660   0.351
   92    HB   THR  13           HB       THR  13 -14.135   3.583  -1.627
   93    HG1  THR  13           HG1      THR  13 -15.000   5.262  -0.628
   94   1HG2  THR  13          HG22      THR  13 -16.017   1.673  -1.307
   95   2HG2  THR  13          HG21      THR  13 -16.889   3.059  -0.653
   96   3HG2  THR  13          HG23      THR  13 -16.267   3.107  -2.303
   97    H    CYS  14           HN       CYS  14 -13.333   1.163   2.266
   98    HA   CYS  14           HA       CYS  14 -15.381   2.080   4.036
   99   1HB   CYS  14           HB2      CYS  14 -17.111   0.676   3.604
  100   2HB   CYS  14           HB1      CYS  14 -16.275   0.274   2.112
  101    H    ALA  15           HN       ALA  15 -15.511   0.269   5.969
  102    HA   ALA  15           HA       ALA  15 -12.718  -0.092   6.790
  103   1HB   ALA  15           HB1      ALA  15 -15.465  -0.377   7.952
  104   2HB   ALA  15           HB3      ALA  15 -14.123  -1.170   8.777
  105   3HB   ALA  15           HB2      ALA  15 -14.101   0.576   8.535
  106    H    ALA  16           HN       ALA  16 -12.430  -1.698   4.836
  107    HA   ALA  16           HA       ALA  16 -12.297  -4.374   5.885
  108   1HB   ALA  16           HB3      ALA  16 -14.723  -3.476   4.459
  109   2HB   ALA  16           HB2      ALA  16 -14.070  -5.019   3.911
  110   3HB   ALA  16           HB1      ALA  16 -14.517  -4.802   5.603
  111    H    CYS  17           HN       CYS  17 -12.661  -2.564   2.786
  112    HA   CYS  17           HA       CYS  17 -10.789  -4.472   1.498
  113   1HB   CYS  17           HB2      CYS  17 -12.140  -2.061   0.278
  114   2HB   CYS  17           HB1      CYS  17 -11.566  -3.511  -0.537
  115    HA   PRO  18           HA       PRO  18  -8.385  -0.338   0.933
  116   1HB   PRO  18           HB2      PRO  18  -8.981   1.380   3.139
  117   2HB   PRO  18           HB1      PRO  18  -9.329   1.665   1.434
  118   1HG   PRO  18           HG2      PRO  18 -11.200   1.093   3.527
  119   2HG   PRO  18           HG1      PRO  18 -11.536   1.377   1.818
  120   1HD   PRO  18           HD2      PRO  18 -11.637  -1.131   3.271
  121   2HD   PRO  18           HD1      PRO  18 -12.057  -0.830   1.569
  122    H    ILE  19           HN       ILE  19  -9.353  -1.326   4.186
  123    HA   ILE  19           HA       ILE  19  -6.780  -1.081   5.465
  124    HB   ILE  19           HB       ILE  19  -9.387  -1.644   6.125
  125   1HG1  ILE  19          HG12      ILE  19  -6.937  -2.200   7.823
  126   2HG1  ILE  19          HG11      ILE  19  -7.671  -0.614   7.578
  127   1HG2  ILE  19          HG22      ILE  19  -8.943  -4.048   5.407
  128   2HG2  ILE  19          HG21      ILE  19  -7.869  -4.165   6.801
  129   3HG2  ILE  19          HG23      ILE  19  -9.587  -3.837   7.036
  130   1HD1  ILE  19          HD13      ILE  19  -9.236  -2.960   8.670
  131   2HD1  ILE  19          HD12      ILE  19  -8.347  -1.853   9.717
  132   3HD1  ILE  19          HD11      ILE  19  -9.667  -1.250   8.716
  133    H    THR  20           HN       THR  20  -8.336  -3.597   3.549
  134    HA   THR  20           HA       THR  20  -6.557  -5.768   4.047
  135    HB   THR  20           HB       THR  20  -8.038  -4.981   1.509
  136    HG1  THR  20           HG1      THR  20  -8.817  -6.044   3.964
  137   1HG2  THR  20          HG21      THR  20  -6.886  -7.572   2.558
  138   2HG2  THR  20          HG23      THR  20  -8.141  -7.542   1.319
  139   3HG2  THR  20          HG22      THR  20  -6.576  -6.791   1.008
  140    H    VAL  21           HN       VAL  21  -6.243  -2.806   2.315
  141    HA   VAL  21           HA       VAL  21  -4.092  -3.638   0.567
  142    HB   VAL  21           HB       VAL  21  -4.984  -0.917   1.578
  143   1HG1  VAL  21          HG12      VAL  21  -2.759  -1.727  -0.046
  144   2HG1  VAL  21          HG11      VAL  21  -3.891  -0.805  -1.036
  145   3HG1  VAL  21          HG13      VAL  21  -3.232  -0.101   0.439
  146   1HG2  VAL  21          HG21      VAL  21  -5.947  -2.752  -0.568
  147   2HG2  VAL  21          HG23      VAL  21  -6.854  -1.607   0.419
  148   3HG2  VAL  21          HG22      VAL  21  -5.896  -1.030  -0.943
  149    H    LYS  22           HN       LYS  22  -4.433  -2.190   3.753
  150    HA   LYS  22           HA       LYS  22  -1.712  -1.512   4.229
  151   1HB   LYS  22           HB2      LYS  22  -2.578  -0.941   6.281
  152   2HB   LYS  22           HB1      LYS  22  -4.124  -1.271   5.510
  153   1HG   LYS  22           HG2      LYS  22  -4.198  -2.516   7.521
  154   2HG   LYS  22           HG1      LYS  22  -3.789  -3.709   6.289
  155   1HD   LYS  22           HD2      LYS  22  -2.116  -4.221   7.770
  156   2HD   LYS  22           HD1      LYS  22  -1.304  -2.887   6.952
  157   1HE   LYS  22           HE2      LYS  22  -1.088  -2.313   9.236
  158   2HE   LYS  22           HE1      LYS  22  -2.526  -1.396   8.745
  159   1HZ   LYS  22           HZ3      LYS  22  -2.942  -4.169   9.534
  160   2HZ   LYS  22           HZ2      LYS  22  -2.550  -3.087  10.784
  161   3HZ   LYS  22           HZ1      LYS  22  -3.915  -2.809   9.811
  162    H    LYS  23           HN       LYS  23  -3.562  -4.481   4.455
  163    HA   LYS  23           HA       LYS  23  -1.555  -6.031   5.786
  164   1HB   LYS  23           HB2      LYS  23  -3.972  -6.590   5.622
  165   2HB   LYS  23           HB1      LYS  23  -3.765  -6.857   3.890
  166   1HG   LYS  23           HG2      LYS  23  -1.861  -8.321   5.613
  167   2HG   LYS  23           HG1      LYS  23  -3.544  -8.827   5.763
  168   1HD   LYS  23           HD2      LYS  23  -2.722  -8.396   2.981
  169   2HD   LYS  23           HD1      LYS  23  -1.796  -9.663   3.787
  170   1HE   LYS  23           HE2      LYS  23  -4.815  -9.569   3.978
  171   2HE   LYS  23           HE1      LYS  23  -3.989 -10.402   2.645
  172   1HZ   LYS  23           HZ2      LYS  23  -2.549 -11.324   4.610
  173   2HZ   LYS  23           HZ1      LYS  23  -3.950 -11.003   5.516
  174   3HZ   LYS  23           HZ3      LYS  23  -4.020 -12.065   4.196
  175    H    ALA  24           HN       ALA  24  -2.444  -5.640   2.414
  176    HA   ALA  24           HA       ALA  24  -0.661  -7.373   1.147
  177   1HB   ALA  24           HB3      ALA  24  -2.437  -5.276   0.517
  178   2HB   ALA  24           HB2      ALA  24  -0.911  -4.863  -0.263
  179   3HB   ALA  24           HB1      ALA  24  -1.689  -6.406  -0.611
  180    H    LEU  25           HN       LEU  25  -0.083  -3.864   1.688
  181    HA   LEU  25           HA       LEU  25   2.672  -3.955   0.875
  182   1HB   LEU  25           HB2      LEU  25   1.481  -2.021   2.868
  183   2HB   LEU  25           HB1      LEU  25   2.716  -1.708   1.651
  184    HG   LEU  25           HG       LEU  25   0.365  -2.685   0.327
  185   1HD1  LEU  25          HD12      LEU  25  -0.493  -1.635   2.625
  186   2HD1  LEU  25          HD11      LEU  25  -0.255  -0.127   1.742
  187   3HD1  LEU  25          HD13      LEU  25  -1.353  -1.352   1.112
  188   1HD2  LEU  25          HD23      LEU  25   2.362  -0.701   0.067
  189   2HD2  LEU  25          HD22      LEU  25   1.134  -1.140  -1.120
  190   3HD2  LEU  25          HD21      LEU  25   0.818   0.151   0.039
  191    H    SER  26           HN       SER  26   1.051  -4.472   3.957
  192    HA   SER  26           HA       SER  26   3.337  -4.351   5.671
  193   1HB   SER  26           HB2      SER  26   1.172  -4.310   6.650
  194   2HB   SER  26           HB1      SER  26   0.638  -5.711   5.725
  195    HG   SER  26           HG       SER  26   1.118  -6.322   7.842
  196    H    LYS  27           HN       LYS  27   2.238  -6.653   3.338
  197    HA   LYS  27           HA       LYS  27   4.396  -8.501   4.222
  198   1HB   LYS  27           HB2      LYS  27   2.887 -10.355   3.580
  199   2HB   LYS  27           HB1      LYS  27   2.143  -9.329   4.807
  200   1HG   LYS  27           HG2      LYS  27   0.415  -9.557   3.240
  201   2HG   LYS  27           HG1      LYS  27   1.159  -8.034   2.759
  202   1HD   LYS  27           HD2      LYS  27   2.148  -8.937   0.878
  203   2HD   LYS  27           HD1      LYS  27   2.216 -10.560   1.569
  204   1HE   LYS  27           HE2      LYS  27  -0.460 -10.272   1.490
  205   2HE   LYS  27           HE1      LYS  27  -0.023  -9.212   0.134
  206   1HZ   LYS  27           HZ2      LYS  27   1.598 -11.133  -0.432
  207   2HZ   LYS  27           HZ1      LYS  27   0.539 -12.079   0.502
  208   3HZ   LYS  27           HZ3      LYS  27  -0.036 -11.270  -0.874
  209    H    VAL  28           HN       VAL  28   3.904  -6.337   1.974
  210    HA   VAL  28           HA       VAL  28   3.832  -7.579  -0.557
  211    HB   VAL  28           HB       VAL  28   3.666  -5.186  -0.245
  212   1HG1  VAL  28          HG12      VAL  28   5.468  -5.367   1.698
  213   2HG1  VAL  28          HG11      VAL  28   6.574  -4.921   0.399
  214   3HG1  VAL  28          HG13      VAL  28   5.231  -3.858   0.819
  215   1HG2  VAL  28          HG21      VAL  28   5.626  -6.395  -2.023
  216   2HG2  VAL  28          HG23      VAL  28   4.471  -5.103  -2.350
  217   3HG2  VAL  28          HG22      VAL  28   6.044  -4.723  -1.649
  218    H    GLU  29           HN       GLU  29   6.837  -6.668   1.244
  219    HA   GLU  29           HA       GLU  29   8.234  -9.074   0.836
  220   1HB   GLU  29           HB2      GLU  29   9.639  -8.282  -1.170
  221   2HB   GLU  29           HB1      GLU  29   7.998  -8.812  -1.519
  222   1HG   GLU  29           HG2      GLU  29   7.359  -6.311  -1.216
  223   2HG   GLU  29           HG1      GLU  29   9.085  -6.005  -1.406
  224    H    GLY  30           HN       GLY  30   8.825  -5.556   0.387
  225   1HA   GLY  30           HA2      GLY  30  11.086  -5.832   2.332
  226   2HA   GLY  30           HA1      GLY  30  11.098  -4.683   0.995
  227    H    VAL  31           HN       VAL  31   7.995  -4.804   2.174
  228    HA   VAL  31           HA       VAL  31   7.838  -2.160   3.085
  229    HB   VAL  31           HB       VAL  31   5.903  -3.526   2.601
  230   1HG1  VAL  31          HG11      VAL  31   7.029  -5.252   4.803
  231   2HG1  VAL  31          HG13      VAL  31   5.319  -5.329   4.380
  232   3HG1  VAL  31          HG12      VAL  31   6.545  -5.722   3.175
  233   1HG2  VAL  31          HG23      VAL  31   6.166  -1.925   4.883
  234   2HG2  VAL  31          HG22      VAL  31   4.653  -2.421   4.125
  235   3HG2  VAL  31          HG21      VAL  31   5.326  -3.367   5.452
  236    H    SER  32           HN       SER  32   8.405  -1.130   4.926
  237    HA   SER  32           HA       SER  32   9.384  -2.764   7.225
  238   1HB   SER  32           HB2      SER  32  10.516  -0.609   5.655
  239   2HB   SER  32           HB1      SER  32  10.365  -0.107   7.337
  240    HG   SER  32           HG       SER  32  11.958  -1.388   7.785
  241    H    LYS  33           HN       LYS  33   7.000  -0.678   6.054
  242    HA   LYS  33           HA       LYS  33   5.909  -0.322   8.776
  243   1HB   LYS  33           HB2      LYS  33   7.574   1.587   7.932
  244   2HB   LYS  33           HB1      LYS  33   6.111   2.138   7.107
  245   1HG   LYS  33           HG2      LYS  33   4.879   2.163   9.177
  246   2HG   LYS  33           HG1      LYS  33   6.250   1.472  10.043
  247   1HD   LYS  33           HD2      LYS  33   6.553   4.058   8.529
  248   2HD   LYS  33           HD1      LYS  33   5.888   4.052  10.163
  249   1HE   LYS  33           HE2      LYS  33   8.492   2.645   9.533
  250   2HE   LYS  33           HE1      LYS  33   8.443   4.365   9.970
  251   1HZ   LYS  33           HZ2      LYS  33   7.092   3.743  11.921
  252   2HZ   LYS  33           HZ1      LYS  33   7.323   2.103  11.540
  253   3HZ   LYS  33           HZ3      LYS  33   8.651   3.068  11.968
  254    H    VAL  34           HN       VAL  34   3.684   0.485   8.698
  255    HA   VAL  34           HA       VAL  34   2.358   0.584   6.054
  256    HB   VAL  34           HB       VAL  34   1.946  -1.542   8.173
  257   1HG1  VAL  34          HG12      VAL  34   0.063  -0.368   6.248
  258   2HG1  VAL  34          HG11      VAL  34   0.214  -2.119   6.103
  259   3HG1  VAL  34          HG13      VAL  34  -0.253  -1.400   7.643
  260   1HG2  VAL  34          HG22      VAL  34   3.015  -1.416   5.393
  261   2HG2  VAL  34          HG21      VAL  34   3.518  -2.432   6.741
  262   3HG2  VAL  34          HG23      VAL  34   2.070  -2.840   5.821
  263    H    ASP  35           HN       ASP  35   0.574   1.904   6.148
  264    HA   ASP  35           HA       ASP  35  -1.003   2.313   8.560
  265   1HB   ASP  35           HB2      ASP  35   1.346   3.968   7.933
  266   2HB   ASP  35           HB1      ASP  35  -0.123   4.919   8.148
  267    H    VAL  36           HN       VAL  36  -2.718   1.874   7.036
  268    HA   VAL  36           HA       VAL  36  -2.982   3.804   4.771
  269    HB   VAL  36           HB       VAL  36  -4.302   2.077   3.756
  270   1HG1  VAL  36          HG11      VAL  36  -1.793   1.704   3.981
  271   2HG1  VAL  36          HG13      VAL  36  -2.161   0.613   5.316
  272   3HG1  VAL  36          HG12      VAL  36  -2.751   0.251   3.694
  273   1HG2  VAL  36          HG23      VAL  36  -5.569   1.572   5.908
  274   2HG2  VAL  36          HG22      VAL  36  -5.149   0.164   4.939
  275   3HG2  VAL  36          HG21      VAL  36  -4.206   0.556   6.376
  276    H    GLY  37           HN       GLY  37  -5.759   3.215   4.409
  277   1HA   GLY  37           HA2      GLY  37  -7.117   4.226   6.827
  278   2HA   GLY  37           HA1      GLY  37  -7.187   5.245   5.386
  279    H    PHE  38           HN       PHE  38  -8.675   2.744   7.023
  280    HA   PHE  38           HA       PHE  38  -9.820   1.303   4.749
  281   1HB   PHE  38           HB2      PHE  38 -10.809  -0.031   6.460
  282   2HB   PHE  38           HB1      PHE  38  -9.229   0.432   7.081
  283    HD1  PHE  38           HD1      PHE  38 -10.296   3.450   7.540
  284    HD2  PHE  38           HD2      PHE  38 -11.593  -0.461   8.762
  285    HE1  PHE  38           HE1      PHE  38 -11.380   4.432   9.535
  286    HE2  PHE  38           HE2      PHE  38 -12.681   0.528  10.756
  287    HZ   PHE  38           HZ       PHE  38 -12.576   2.973  11.143
  288    H    GLU  39           HN       GLU  39 -10.540   3.625   3.972
  289    HA   GLU  39           HA       GLU  39 -13.405   3.768   4.116
  290   1HB   GLU  39           HB2      GLU  39 -12.147   4.736   6.372
  291   2HB   GLU  39           HB1      GLU  39 -12.343   6.200   5.408
  292   1HG   GLU  39           HG2      GLU  39 -14.372   6.114   6.564
  293   2HG   GLU  39           HG1      GLU  39 -14.784   5.311   5.048
  294    H    LYS  40           HN       LYS  40 -10.828   6.255   4.080
  295    HA   LYS  40           HA       LYS  40 -11.851   7.268   1.489
  296   1HB   LYS  40           HB2      LYS  40 -10.077   9.019   1.956
  297   2HB   LYS  40           HB1      LYS  40 -11.297   8.878   3.221
  298   1HG   LYS  40           HG2      LYS  40  -9.837   7.826   4.703
  299   2HG   LYS  40           HG1      LYS  40  -8.795   7.230   3.411
  300   1HD   LYS  40           HD2      LYS  40  -7.458   8.966   4.072
  301   2HD   LYS  40           HD1      LYS  40  -8.528   9.897   3.023
  302   1HE   LYS  40           HE2      LYS  40  -8.930   9.514   6.014
  303   2HE   LYS  40           HE1      LYS  40  -8.317  10.988   5.238
  304   1HZ   LYS  40           HZ1      LYS  40 -10.415  10.670   3.754
  305   2HZ   LYS  40           HZ3      LYS  40 -10.996   9.788   5.081
  306   3HZ   LYS  40           HZ2      LYS  40 -10.559  11.419   5.273
  307    H    ARG  41           HN       ARG  41 -10.799   4.654   1.438
  308    HA   ARG  41           HA       ARG  41  -8.948   3.321   0.690
  309   1HB   ARG  41           HB2      ARG  41  -8.960   3.599  -1.730
  310   2HB   ARG  41           HB1      ARG  41 -10.587   3.833  -1.100
  311   1HG   ARG  41           HG2      ARG  41 -10.646   5.879  -2.028
  312   2HG   ARG  41           HG1      ARG  41  -9.258   6.358  -1.058
  313   1HD   ARG  41           HD2      ARG  41  -7.707   5.689  -2.748
  314   2HD   ARG  41           HD1      ARG  41  -8.957   4.796  -3.637
  315    HE   ARG  41           HE       ARG  41  -9.944   7.399  -3.449
  316   1HH1  ARG  41          HH21      ARG  41  -7.086   5.863  -4.629
  317   2HH1  ARG  41          HH22      ARG  41  -6.808   7.043  -5.866
  318   1HH2  ARG  41          HH11      ARG  41  -9.592   8.942  -5.058
  319   2HH2  ARG  41          HH12      ARG  41  -8.222   8.785  -6.107
  320    H    GLU  42           HN       GLU  42  -7.120   4.154   2.016
  321    HA   GLU  42           HA       GLU  42  -5.172   5.537   0.224
  322   1HB   GLU  42           HB2      GLU  42  -6.694   7.046   1.835
  323   2HB   GLU  42           HB1      GLU  42  -5.446   6.607   3.002
  324   1HG   GLU  42           HG2      GLU  42  -3.810   7.786   1.907
  325   2HG   GLU  42           HG1      GLU  42  -4.512   7.486   0.316
  326    H    ALA  43           HN       ALA  43  -3.384   4.194   0.331
  327    HA   ALA  43           HA       ALA  43  -2.767   2.935   2.977
  328   1HB   ALA  43           HB2      ALA  43  -3.061   1.944   0.355
  329   2HB   ALA  43           HB1      ALA  43  -1.336   1.856   0.711
  330   3HB   ALA  43           HB3      ALA  43  -2.496   1.054   1.769
  331    H    VAL  44           HN       VAL  44  -1.102   3.928   4.034
  332    HA   VAL  44           HA       VAL  44   1.060   5.198   2.397
  333    HB   VAL  44           HB       VAL  44  -0.439   5.877   4.846
  334   1HG1  VAL  44          HG12      VAL  44   2.553   5.872   4.819
  335   2HG1  VAL  44          HG11      VAL  44   1.739   7.262   5.537
  336   3HG1  VAL  44          HG13      VAL  44   1.446   5.643   6.173
  337   1HG2  VAL  44          HG23      VAL  44  -0.488   7.201   2.766
  338   2HG2  VAL  44          HG22      VAL  44   0.136   8.155   4.112
  339   3HG2  VAL  44          HG21      VAL  44   1.245   7.491   2.912
  340    H    VAL  45           HN       VAL  45   2.791   3.833   2.261
  341    HA   VAL  45           HA       VAL  45   3.519   2.322   4.758
  342    HB   VAL  45           HB       VAL  45   3.146   1.334   1.923
  343   1HG1  VAL  45          HG12      VAL  45   5.150   0.452   3.621
  344   2HG1  VAL  45          HG11      VAL  45   3.835  -0.669   3.945
  345   3HG1  VAL  45          HG13      VAL  45   4.443  -0.478   2.305
  346   1HG2  VAL  45          HG21      VAL  45   1.308   1.557   3.883
  347   2HG2  VAL  45          HG23      VAL  45   1.290   0.243   2.709
  348   3HG2  VAL  45          HG22      VAL  45   1.987  -0.012   4.308
  349    H    THR  46           HN       THR  46   5.700   1.807   4.990
  350    HA   THR  46           HA       THR  46   7.621   3.234   3.168
  351    HB   THR  46           HB       THR  46   7.533   2.556   6.111
  352    HG1  THR  46           HG1      THR  46   6.991   4.594   5.868
  353   1HG2  THR  46          HG21      THR  46   9.693   1.700   5.232
  354   2HG2  THR  46          HG23      THR  46  10.027   3.296   4.558
  355   3HG2  THR  46          HG22      THR  46   9.915   3.082   6.305
  356    H    PHE  47           HN       PHE  47   9.743   1.932   2.952
  357    HA   PHE  47           HA       PHE  47   9.689  -0.896   3.575
  358   1HB   PHE  47           HB2      PHE  47   9.294  -1.650   1.248
  359   2HB   PHE  47           HB1      PHE  47   7.913  -0.737   1.864
  360    HD1  PHE  47           HD2      PHE  47  10.842  -0.648  -0.397
  361    HD2  PHE  47           HD1      PHE  47   7.415   1.509   1.063
  362    HE1  PHE  47           HE2      PHE  47  11.093   1.003  -2.224
  363    HE2  PHE  47           HE1      PHE  47   7.675   3.148  -0.771
  364    HZ   PHE  47           HZ       PHE  47   9.511   2.897  -2.411
  365    H    ASP  48           HN       ASP  48  11.253  -1.974   1.754
  366    HA   ASP  48           HA       ASP  48  13.684  -0.248   1.724
  367   1HB   ASP  48           HB2      ASP  48  13.131  -2.887   2.594
  368   2HB   ASP  48           HB1      ASP  48  14.096  -3.056   1.127
  369    H    ASP  49           HN       ASP  49  13.830   0.695  -0.282
  370    HA   ASP  49           HA       ASP  49  12.476  -0.223  -2.608
  371   1HB   ASP  49           HB2      ASP  49  13.035   1.978  -2.808
  372   2HB   ASP  49           HB1      ASP  49  14.494   1.797  -1.839
  373    H    THR  50           HN       THR  50  15.246  -1.543  -1.131
  374    HA   THR  50           HA       THR  50  16.598  -2.454  -3.555
  375    HB   THR  50           HB       THR  50  17.495  -4.098  -1.610
  376    HG1  THR  50           HG1      THR  50  17.410  -2.495   0.271
  377   1HG2  THR  50          HG22      THR  50  18.123  -1.322  -2.434
  378   2HG2  THR  50          HG21      THR  50  18.856  -1.863  -0.923
  379   3HG2  THR  50          HG23      THR  50  19.153  -2.753  -2.416
  380    H    LYS  51           HN       LYS  51  14.075  -3.683  -1.429
  381    HA   LYS  51           HA       LYS  51  13.868  -6.127  -3.160
  382   1HB   LYS  51           HB2      LYS  51  13.806  -5.625  -0.238
  383   2HB   LYS  51           HB1      LYS  51  12.598  -6.766  -0.829
  384   1HG   LYS  51           HG2      LYS  51  14.951  -7.470  -2.176
  385   2HG   LYS  51           HG1      LYS  51  15.467  -7.126  -0.525
  386   1HD   LYS  51           HD2      LYS  51  13.222  -9.006  -1.321
  387   2HD   LYS  51           HD1      LYS  51  14.818  -9.490  -0.745
  388   1HE   LYS  51           HE2      LYS  51  13.628  -7.582   1.092
  389   2HE   LYS  51           HE1      LYS  51  12.561  -8.981   0.856
  390   1HZ   LYS  51           HZ2      LYS  51  15.408  -9.546   1.044
  391   2HZ   LYS  51           HZ1      LYS  51  14.663  -9.033   2.482
  392   3HZ   LYS  51           HZ3      LYS  51  14.087 -10.409   1.675
  393    H    ALA  52           HN       ALA  52  12.460  -3.199  -2.557
  394    HA   ALA  52           HA       ALA  52   9.864  -4.078  -3.661
  395   1HB   ALA  52           HB2      ALA  52   9.852  -4.298  -1.119
  396   2HB   ALA  52           HB1      ALA  52  10.032  -2.545  -1.053
  397   3HB   ALA  52           HB3      ALA  52   8.596  -3.255  -1.787
  398    H    SER  53           HN       SER  53   8.433  -1.780  -3.413
  399    HA   SER  53           HA       SER  53   9.855   0.685  -3.737
  400   1HB   SER  53           HB2      SER  53  10.001  -1.179  -5.900
  401   2HB   SER  53           HB1      SER  53   9.012   0.180  -6.425
  402    HG   SER  53           HG       SER  53  11.696   0.047  -5.838
  403    H    VAL  54           HN       VAL  54   8.356   2.422  -4.317
  404    HA   VAL  54           HA       VAL  54   5.779   2.346  -3.385
  405    HB   VAL  54           HB       VAL  54   5.461   4.322  -4.757
  406   1HG1  VAL  54          HG13      VAL  54   7.698   3.874  -3.126
  407   2HG1  VAL  54          HG12      VAL  54   8.316   4.727  -4.541
  408   3HG1  VAL  54          HG11      VAL  54   7.018   5.437  -3.580
  409   1HG2  VAL  54          HG21      VAL  54   7.714   3.148  -6.396
  410   2HG2  VAL  54          HG23      VAL  54   6.068   3.487  -6.931
  411   3HG2  VAL  54          HG22      VAL  54   7.168   4.817  -6.566
  412    H    GLN  55           HN       GLN  55   6.875   1.377  -6.626
  413    HA   GLN  55           HA       GLN  55   4.279   0.923  -7.764
  414   1HB   GLN  55           HB2      GLN  55   6.795   0.976  -8.681
  415   2HB   GLN  55           HB1      GLN  55   6.647  -0.769  -8.468
  416   1HG   GLN  55           HG2      GLN  55   4.857  -0.925  -9.997
  417   2HG   GLN  55           HG1      GLN  55   4.514   0.803  -9.907
  418   1HE2  GLN  55          HE22      GLN  55   7.704  -0.444 -12.192
  419   2HE2  GLN  55          HE21      GLN  55   7.171  -1.425 -10.914
  420    H    LYS  56           HN       LYS  56   6.585  -1.261  -6.122
  421    HA   LYS  56           HA       LYS  56   5.007  -3.634  -6.251
  422   1HB   LYS  56           HB2      LYS  56   7.258  -2.536  -4.619
  423   2HB   LYS  56           HB1      LYS  56   6.464  -4.000  -4.037
  424   1HG   LYS  56           HG2      LYS  56   7.317  -5.273  -5.716
  425   2HG   LYS  56           HG1      LYS  56   7.066  -4.012  -6.923
  426   1HD   LYS  56           HD2      LYS  56   9.059  -2.992  -5.240
  427   2HD   LYS  56           HD1      LYS  56   9.483  -4.691  -5.459
  428   1HE   LYS  56           HE2      LYS  56   8.611  -3.437  -7.962
  429   2HE   LYS  56           HE1      LYS  56  10.053  -2.667  -7.272
  430   1HZ   LYS  56           HZ1      LYS  56   9.688  -5.601  -7.572
  431   2HZ   LYS  56           HZ3      LYS  56  10.590  -4.636  -8.636
  432   3HZ   LYS  56           HZ2      LYS  56  11.084  -4.805  -7.019
  433    H    LEU  57           HN       LEU  57   4.906  -0.853  -4.068
  434    HA   LEU  57           HA       LEU  57   3.296  -2.041  -1.995
  435   1HB   LEU  57           HB2      LEU  57   3.418   0.833  -2.982
  436   2HB   LEU  57           HB1      LEU  57   2.923   0.305  -1.378
  437    HG   LEU  57           HG       LEU  57   5.690  -0.107  -2.563
  438   1HD1  LEU  57          HD12      LEU  57   4.574   2.233  -1.583
  439   2HD1  LEU  57          HD11      LEU  57   5.407   1.565  -0.180
  440   3HD1  LEU  57          HD13      LEU  57   6.299   1.876  -1.668
  441   1HD2  LEU  57          HD21      LEU  57   4.386  -1.471  -0.489
  442   2HD2  LEU  57          HD23      LEU  57   6.123  -1.441  -0.794
  443   3HD2  LEU  57          HD22      LEU  57   5.405  -0.284   0.327
  444    H    THR  58           HN       THR  58   2.466   0.032  -4.774
  445    HA   THR  58           HA       THR  58  -0.386  -0.216  -4.554
  446    HB   THR  58           HB       THR  58   1.232   0.178  -7.078
  447    HG1  THR  58           HG1      THR  58   0.597   2.283  -5.342
  448   1HG2  THR  58          HG23      THR  58  -1.365   0.129  -6.953
  449   2HG2  THR  58          HG22      THR  58  -1.201   1.709  -6.188
  450   3HG2  THR  58          HG21      THR  58  -0.593   1.454  -7.824
  451    H    LYS  59           HN       LYS  59   2.125  -2.312  -5.650
  452    HA   LYS  59           HA       LYS  59   0.455  -3.959  -7.405
  453   1HB   LYS  59           HB2      LYS  59   3.068  -3.491  -7.287
  454   2HB   LYS  59           HB1      LYS  59   3.036  -4.837  -6.148
  455   1HG   LYS  59           HG2      LYS  59   1.881  -6.229  -7.842
  456   2HG   LYS  59           HG1      LYS  59   1.973  -4.890  -8.986
  457   1HD   LYS  59           HD2      LYS  59   3.824  -6.387  -9.438
  458   2HD   LYS  59           HD1      LYS  59   4.473  -4.916  -8.711
  459   1HE   LYS  59           HE2      LYS  59   4.961  -5.970  -6.685
  460   2HE   LYS  59           HE1      LYS  59   3.729  -7.225  -6.927
  461   1HZ   LYS  59           HZ2      LYS  59   6.159  -6.900  -8.609
  462   2HZ   LYS  59           HZ1      LYS  59   6.007  -8.037  -7.355
  463   3HZ   LYS  59           HZ3      LYS  59   5.008  -8.145  -8.721
  464    H    ALA  60           HN       ALA  60   1.400  -3.847  -4.022
  465    HA   ALA  60           HA       ALA  60   0.593  -6.562  -3.369
  466   1HB   ALA  60           HB1      ALA  60   2.168  -5.178  -2.033
  467   2HB   ALA  60           HB3      ALA  60   0.862  -4.047  -1.679
  468   3HB   ALA  60           HB2      ALA  60   0.796  -5.694  -1.052
  469    H    THR  61           HN       THR  61  -0.973  -3.359  -3.170
  470    HA   THR  61           HA       THR  61  -3.498  -4.441  -2.154
  471    HB   THR  61           HB       THR  61  -2.659  -2.104  -1.866
  472    HG1  THR  61           HG1      THR  61  -4.733  -1.172  -2.839
  473   1HG2  THR  61          HG22      THR  61  -1.750  -2.073  -4.278
  474   2HG2  THR  61          HG21      THR  61  -3.396  -1.655  -4.751
  475   3HG2  THR  61          HG23      THR  61  -2.492  -0.593  -3.672
  476    H    ALA  62           HN       ALA  62  -2.052  -3.640  -5.261
  477    HA   ALA  62           HA       ALA  62  -4.329  -3.953  -6.936
  478   1HB   ALA  62           HB1      ALA  62  -1.350  -4.391  -7.243
  479   2HB   ALA  62           HB3      ALA  62  -2.454  -4.622  -8.599
  480   3HB   ALA  62           HB2      ALA  62  -2.314  -3.038  -7.835
  481    H    ASP  63           HN       ASP  63  -2.162  -6.235  -5.355
  482    HA   ASP  63           HA       ASP  63  -3.401  -8.549  -6.722
  483   1HB   ASP  63           HB2      ASP  63  -1.039  -8.667  -6.397
  484   2HB   ASP  63           HB1      ASP  63  -1.168  -8.107  -4.729
  485    H    ALA  64           HN       ALA  64  -3.816  -6.660  -3.867
  486    HA   ALA  64           HA       ALA  64  -4.980  -8.728  -2.184
  487   1HB   ALA  64           HB1      ALA  64  -4.920  -5.703  -2.258
  488   2HB   ALA  64           HB3      ALA  64  -5.850  -6.567  -1.034
  489   3HB   ALA  64           HB2      ALA  64  -4.102  -6.781  -1.127
  490    H    GLY  65           HN       GLY  65  -5.996  -6.811  -4.863
  491   1HA   GLY  65           HA2      GLY  65  -8.060  -7.591  -6.030
  492   2HA   GLY  65           HA1      GLY  65  -8.799  -7.733  -4.438
  493    H    TYR  66           HN       TYR  66  -6.696  -5.060  -5.071
  494    HA   TYR  66           HA       TYR  66  -9.048  -3.268  -5.518
  495   1HB   TYR  66           HB2      TYR  66  -6.851  -2.791  -3.483
  496   2HB   TYR  66           HB1      TYR  66  -8.368  -1.907  -3.658
  497    HD1  TYR  66           HD1      TYR  66 -10.471  -3.686  -3.825
  498    HD2  TYR  66           HD2      TYR  66  -6.825  -4.219  -1.608
  499    HE1  TYR  66           HE1      TYR  66 -11.621  -5.284  -2.318
  500    HE2  TYR  66           HE2      TYR  66  -7.976  -5.821  -0.119
  501    HH   TYR  66           HH       TYR  66  -9.931  -6.718   0.466
  502    HA   PRO  67           HA       PRO  67  -5.727  -2.293  -8.552
  503   1HB   PRO  67           HB2      PRO  67  -7.832  -0.727  -9.808
  504   2HB   PRO  67           HB1      PRO  67  -7.010  -2.161 -10.428
  505   1HG   PRO  67           HG2      PRO  67  -9.682  -1.994  -9.453
  506   2HG   PRO  67           HG1      PRO  67  -8.816  -3.447  -9.960
  507   1HD   PRO  67           HD2      PRO  67  -9.584  -2.688  -7.282
  508   2HD   PRO  67           HD1      PRO  67  -8.706  -4.151  -7.793
  509    H    SER  68           HN       SER  68  -4.610  -0.900  -7.078
  510    HA   SER  68           HA       SER  68  -5.799   1.811  -6.633
  511   1HB   SER  68           HB2      SER  68  -4.627   1.797  -4.618
  512   2HB   SER  68           HB1      SER  68  -4.966   0.080  -4.822
  513    HG   SER  68           HG       SER  68  -2.890  -0.118  -5.775
  514    H    SER  69           HN       SER  69  -3.405   3.072  -5.942
  515    HA   SER  69           HA       SER  69  -1.606   2.953  -8.284
  516   1HB   SER  69           HB2      SER  69  -3.858   4.594  -8.224
  517   2HB   SER  69           HB1      SER  69  -2.557   5.665  -7.713
  518    HG   SER  69           HG       SER  69  -2.945   4.308 -10.128
  519    H    VAL  70           HN       VAL  70  -0.218   5.269  -7.821
  520    HA   VAL  70           HA       VAL  70   0.495   5.221  -4.926
  521    HB   VAL  70           HB       VAL  70   1.701   3.650  -6.552
  522   1HG1  VAL  70          HG11      VAL  70   2.871   6.329  -7.364
  523   2HG1  VAL  70          HG13      VAL  70   3.620   4.778  -7.746
  524   3HG1  VAL  70          HG12      VAL  70   2.033   5.176  -8.402
  525   1HG2  VAL  70          HG23      VAL  70   2.478   4.749  -4.225
  526   2HG2  VAL  70          HG22      VAL  70   3.535   3.685  -5.153
  527   3HG2  VAL  70          HG21      VAL  70   3.721   5.434  -5.271
  528    H    LYS  71           HN       LYS  71   1.337   7.241  -4.133
  529    HA   LYS  71           HA       LYS  71   1.959   9.377  -6.084
  530   1HB   LYS  71           HB2      LYS  71   0.034  10.744  -4.954
  531   2HB   LYS  71           HB1      LYS  71  -0.385   9.563  -6.198
  532   1HG   LYS  71           HG2      LYS  71  -1.436   8.200  -4.720
  533   2HG   LYS  71           HG1      LYS  71  -0.188   8.424  -3.495
  534   1HD   LYS  71           HD2      LYS  71  -1.164  10.378  -2.668
  535   2HD   LYS  71           HD1      LYS  71  -2.092  10.652  -4.141
  536   1HE   LYS  71           HE2      LYS  71  -3.728   9.087  -3.566
  537   2HE   LYS  71           HE1      LYS  71  -2.622   8.170  -2.524
  538   1HZ   LYS  71           HZ1      LYS  71  -2.545  10.576  -1.372
  539   2HZ   LYS  71           HZ3      LYS  71  -4.144  10.573  -1.937
  540   3HZ   LYS  71           HZ2      LYS  71  -3.611   9.343  -0.892
  541    H    GLN  72           HN       GLN  72   3.614   8.350  -4.160
  542    HA   GLN  72           HA       GLN  72   3.755   9.219  -1.565
  543   1HB   GLN  72           HB2      GLN  72   6.154   9.251  -1.890
  544   2HB   GLN  72           HB1      GLN  72   5.488   8.036  -2.981
  545   1HG   GLN  72           HG2      GLN  72   6.907   9.211  -4.411
  546   2HG   GLN  72           HG1      GLN  72   5.369  10.029  -4.687
  547   1HE2  GLN  72          HE22      GLN  72   7.248  12.990  -4.050
  548   2HE2  GLN  72          HE21      GLN  72   6.535  12.033  -5.257
   
  No H/Q in entry =         548
  Start of MODEL    5
    1   1H    ALA   1           HT3      ALA   1  18.437   0.456   1.507
    2   2H    ALA   1           HT2      ALA   1  17.729  -0.010   0.034
    3   3H    ALA   1           HT1      ALA   1  19.069   1.034   0.043
    4    HA   ALA   1           HA       ALA   1  17.822   2.821   0.924
    5   1HB   ALA   1           HB1      ALA   1  17.415   1.593  -1.501
    6   2HB   ALA   1           HB3      ALA   1  15.766   1.736  -0.891
    7   3HB   ALA   1           HB2      ALA   1  16.769   3.176  -1.066
    8    H    THR   2           HN       THR   2  15.898   3.578   1.965
    9    HA   THR   2           HA       THR   2  13.911   1.621   2.929
   10    HB   THR   2           HB       THR   2  14.518   3.270   5.096
   11    HG1  THR   2           HG1      THR   2  16.436   3.841   3.929
   12   1HG2  THR   2          HG21      THR   2  14.282   0.585   4.573
   13   2HG2  THR   2          HG23      THR   2  15.974   0.722   5.050
   14   3HG2  THR   2          HG22      THR   2  14.702   1.271   6.142
   15    H    GLN   3           HN       GLN   3  12.555   2.838   1.443
   16    HA   GLN   3           HA       GLN   3  12.045   5.674   2.282
   17   1HB   GLN   3           HB2      GLN   3  11.220   5.775  -0.186
   18   2HB   GLN   3           HB1      GLN   3  12.956   5.706   0.114
   19   1HG   GLN   3           HG2      GLN   3  13.126   3.489  -0.569
   20   2HG   GLN   3           HG1      GLN   3  11.434   3.143  -0.210
   21   1HE2  GLN   3          HE22      GLN   3  12.312   3.935  -3.963
   22   2HE2  GLN   3          HE21      GLN   3  13.363   3.270  -2.809
   23    H    THR   4           HN       THR   4   9.909   6.394   2.389
   24    HA   THR   4           HA       THR   4   7.803   4.280   2.321
   25    HB   THR   4           HB       THR   4   7.620   4.831   4.495
   26    HG1  THR   4           HG1      THR   4   5.869   5.975   3.952
   27   1HG2  THR   4          HG22      THR   4   9.884   5.885   4.400
   28   2HG2  THR   4          HG21      THR   4   9.100   7.421   4.035
   29   3HG2  THR   4          HG23      THR   4   8.812   6.630   5.585
   30    H    VAL   5           HN       VAL   5   5.968   4.755   1.187
   31    HA   VAL   5           HA       VAL   5   5.647   7.509   0.031
   32    HB   VAL   5           HB       VAL   5   4.973   6.340  -2.057
   33   1HG1  VAL   5          HG13      VAL   5   7.546   6.676  -1.003
   34   2HG1  VAL   5          HG12      VAL   5   7.553   5.049  -1.682
   35   3HG1  VAL   5          HG11      VAL   5   7.133   6.427  -2.698
   36   1HG2  VAL   5          HG23      VAL   5   4.423   4.207  -0.587
   37   2HG2  VAL   5          HG22      VAL   5   4.964   4.019  -2.255
   38   3HG2  VAL   5          HG21      VAL   5   6.104   3.801  -0.928
   39    H    THR   6           HN       THR   6   3.355   7.757  -0.775
   40    HA   THR   6           HA       THR   6   1.490   6.429   1.135
   41    HB   THR   6           HB       THR   6   1.840   8.964   1.118
   42    HG1  THR   6           HG1      THR   6  -0.791   8.558   0.363
   43   1HG2  THR   6          HG23      THR   6   1.682   8.654  -1.604
   44   2HG2  THR   6          HG22      THR   6   0.066   9.241  -1.211
   45   3HG2  THR   6          HG21      THR   6   1.483  10.188  -0.756
   46    H    LEU   7           HN       LEU   7  -0.646   5.832   0.148
   47    HA   LEU   7           HA       LEU   7  -0.399   5.412  -2.802
   48   1HB   LEU   7           HB2      LEU   7  -0.431   3.501  -0.610
   49   2HB   LEU   7           HB1      LEU   7  -1.759   3.197  -1.726
   50    HG   LEU   7           HG       LEU   7  -0.250   3.079  -3.589
   51   1HD1  LEU   7          HD11      LEU   7   1.666   4.220  -1.608
   52   2HD1  LEU   7          HD13      LEU   7   2.291   3.228  -2.924
   53   3HD1  LEU   7          HD12      LEU   7   1.372   4.685  -3.278
   54   1HD2  LEU   7          HD22      LEU   7   0.850   1.571  -1.197
   55   2HD2  LEU   7          HD21      LEU   7  -0.396   1.001  -2.308
   56   3HD2  LEU   7          HD23      LEU   7   1.261   1.211  -2.873
   57    H    ALA   8           HN       ALA   8  -2.355   5.222  -3.911
   58    HA   ALA   8           HA       ALA   8  -4.805   6.100  -2.406
   59   1HB   ALA   8           HB3      ALA   8  -3.345   7.521  -4.266
   60   2HB   ALA   8           HB2      ALA   8  -4.588   6.776  -5.271
   61   3HB   ALA   8           HB1      ALA   8  -5.049   7.802  -3.912
   62    H    VAL   9           HN       VAL   9  -5.979   4.166  -2.331
   63    HA   VAL   9           HA       VAL   9  -6.183   2.629  -4.903
   64    HB   VAL   9           HB       VAL   9  -5.074   1.456  -3.075
   65   1HG1  VAL   9          HG13      VAL   9  -7.391   2.524  -1.552
   66   2HG1  VAL   9          HG12      VAL   9  -6.847   0.908  -1.119
   67   3HG1  VAL   9          HG11      VAL   9  -5.727   2.268  -1.034
   68   1HG2  VAL   9          HG22      VAL   9  -6.732   0.276  -4.615
   69   2HG2  VAL   9          HG21      VAL   9  -6.384  -0.538  -3.090
   70   3HG2  VAL   9          HG23      VAL   9  -7.885   0.367  -3.283
   71    HA   PRO  10           HA       PRO  10 -10.415   4.357  -4.054
   72   1HB   PRO  10           HB2      PRO  10 -10.728   4.967  -6.786
   73   2HB   PRO  10           HB1      PRO  10 -10.308   6.105  -5.501
   74   1HG   PRO  10           HG2      PRO  10  -8.626   5.069  -7.641
   75   2HG   PRO  10           HG1      PRO  10  -8.296   6.383  -6.508
   76   1HD   PRO  10           HD2      PRO  10  -7.173   3.739  -6.490
   77   2HD   PRO  10           HD1      PRO  10  -6.909   5.041  -5.307
   78    H    GLY  11           HN       GLY  11  -9.094   1.699  -5.590
   79   1HA   GLY  11           HA2      GLY  11 -11.118   0.739  -7.310
   80   2HA   GLY  11           HA1      GLY  11 -10.056  -0.301  -6.358
   81    H    MET  12           HN       MET  12 -10.953   0.909  -3.825
   82    HA   MET  12           HA       MET  12 -13.809   0.532  -3.518
   83   1HB   MET  12           HB2      MET  12 -11.903  -1.749  -3.308
   84   2HB   MET  12           HB1      MET  12 -13.143  -1.651  -2.059
   85   1HG   MET  12           HG2      MET  12 -14.436  -1.102  -4.515
   86   2HG   MET  12           HG1      MET  12 -13.412  -2.510  -4.792
   87   1HE   MET  12           HE3      MET  12 -15.338  -0.840  -2.043
   88   2HE   MET  12           HE2      MET  12 -16.729  -1.204  -3.062
   89   3HE   MET  12           HE1      MET  12 -16.558  -2.001  -1.501
   90    H    THR  13           HN       THR  13 -14.153   1.914  -1.797
   91    HA   THR  13           HA       THR  13 -12.340   1.689   0.557
   92    HB   THR  13           HB       THR  13 -11.419   3.461  -0.802
   93    HG1  THR  13           HG1      THR  13 -11.705   3.878   1.464
   94   1HG2  THR  13          HG21      THR  13 -13.657   3.717  -2.068
   95   2HG2  THR  13          HG23      THR  13 -14.094   4.848  -0.789
   96   3HG2  THR  13          HG22      THR  13 -12.695   5.173  -1.811
   97    H    CYS  14           HN       CYS  14 -13.809   1.113   2.131
   98    HA   CYS  14           HA       CYS  14 -16.079   2.975   2.636
   99   1HB   CYS  14           HB2      CYS  14 -16.663   0.037   2.748
  100   2HB   CYS  14           HB1      CYS  14 -17.753   1.373   2.403
  101    H    ALA  15           HN       ALA  15 -14.908  -0.225   3.704
  102    HA   ALA  15           HA       ALA  15 -13.976   0.776   6.271
  103   1HB   ALA  15           HB1      ALA  15 -16.726  -0.345   5.881
  104   2HB   ALA  15           HB3      ALA  15 -15.870  -0.763   7.366
  105   3HB   ALA  15           HB2      ALA  15 -16.186   0.928   6.975
  106    H    ALA  16           HN       ALA  16 -13.236  -1.074   3.956
  107    HA   ALA  16           HA       ALA  16 -12.041  -3.179   5.581
  108   1HB   ALA  16           HB2      ALA  16 -14.603  -3.539   4.148
  109   2HB   ALA  16           HB1      ALA  16 -13.426  -4.832   3.913
  110   3HB   ALA  16           HB3      ALA  16 -13.962  -4.412   5.540
  111    H    CYS  17           HN       CYS  17 -12.943  -2.189   2.248
  112    HA   CYS  17           HA       CYS  17 -10.917  -3.769   0.948
  113   1HB   CYS  17           HB2      CYS  17 -12.087  -1.180  -0.075
  114   2HB   CYS  17           HB1      CYS  17 -11.556  -2.574  -1.005
  115    HA   PRO  18           HA       PRO  18  -8.305   0.289   0.895
  116   1HB   PRO  18           HB2      PRO  18  -8.864   1.820   3.211
  117   2HB   PRO  18           HB1      PRO  18  -9.248   2.253   1.546
  118   1HG   PRO  18           HG2      PRO  18 -11.062   1.404   3.664
  119   2HG   PRO  18           HG1      PRO  18 -11.443   2.088   2.084
  120   1HD   PRO  18           HD2      PRO  18 -11.771  -0.619   2.907
  121   2HD   PRO  18           HD1      PRO  18 -11.977   0.020   1.261
  122    H    ILE  19           HN       ILE  19  -9.471  -0.871   4.037
  123    HA   ILE  19           HA       ILE  19  -6.930  -0.979   5.384
  124    HB   ILE  19           HB       ILE  19  -9.619  -1.438   5.878
  125   1HG1  ILE  19          HG12      ILE  19  -7.422  -2.271   7.776
  126   2HG1  ILE  19          HG11      ILE  19  -7.715  -0.579   7.371
  127   1HG2  ILE  19          HG22      ILE  19  -9.174  -3.838   5.102
  128   2HG2  ILE  19          HG21      ILE  19  -8.212  -4.016   6.569
  129   3HG2  ILE  19          HG23      ILE  19  -9.933  -3.648   6.682
  130   1HD1  ILE  19          HD11      ILE  19 -10.185  -1.081   7.997
  131   2HD1  ILE  19          HD13      ILE  19  -9.534  -2.510   8.801
  132   3HD1  ILE  19          HD12      ILE  19  -9.018  -0.901   9.308
  133    H    THR  20           HN       THR  20  -8.574  -3.178   3.161
  134    HA   THR  20           HA       THR  20  -6.984  -5.521   3.558
  135    HB   THR  20           HB       THR  20  -8.235  -4.465   0.987
  136    HG1  THR  20           HG1      THR  20  -9.404  -6.034   3.044
  137   1HG2  THR  20          HG22      THR  20  -7.220  -7.101   1.958
  138   2HG2  THR  20          HG21      THR  20  -8.655  -7.101   0.933
  139   3HG2  THR  20          HG23      THR  20  -7.149  -6.395   0.344
  140    H    VAL  21           HN       VAL  21  -6.432  -2.472   2.037
  141    HA   VAL  21           HA       VAL  21  -4.218  -3.279   0.366
  142    HB   VAL  21           HB       VAL  21  -5.021  -0.590   1.527
  143   1HG1  VAL  21          HG11      VAL  21  -2.766  -1.406  -0.040
  144   2HG1  VAL  21          HG13      VAL  21  -3.809  -0.395  -1.040
  145   3HG1  VAL  21          HG12      VAL  21  -3.197   0.218   0.496
  146   1HG2  VAL  21          HG21      VAL  21  -6.074  -2.268  -0.666
  147   2HG2  VAL  21          HG23      VAL  21  -6.856  -0.964   0.226
  148   3HG2  VAL  21          HG22      VAL  21  -5.765  -0.590  -1.108
  149    H    LYS  22           HN       LYS  22  -4.670  -2.134   3.652
  150    HA   LYS  22           HA       LYS  22  -1.959  -1.587   4.331
  151   1HB   LYS  22           HB2      LYS  22  -3.884  -0.904   5.690
  152   2HB   LYS  22           HB1      LYS  22  -4.336  -2.588   5.940
  153   1HG   LYS  22           HG2      LYS  22  -2.558  -2.997   7.386
  154   2HG   LYS  22           HG1      LYS  22  -1.584  -1.685   6.722
  155   1HD   LYS  22           HD2      LYS  22  -3.283  -0.070   7.691
  156   2HD   LYS  22           HD1      LYS  22  -4.002  -1.445   8.530
  157   1HE   LYS  22           HE2      LYS  22  -1.885  -1.886   9.694
  158   2HE   LYS  22           HE1      LYS  22  -1.105  -0.560   8.809
  159   1HZ   LYS  22           HZ3      LYS  22  -3.629  -0.028  10.208
  160   2HZ   LYS  22           HZ2      LYS  22  -2.206  -0.131  11.130
  161   3HZ   LYS  22           HZ1      LYS  22  -2.335   1.019   9.887
  162    H    LYS  23           HN       LYS  23  -3.930  -4.502   4.230
  163    HA   LYS  23           HA       LYS  23  -2.072  -6.238   5.524
  164   1HB   LYS  23           HB2      LYS  23  -4.536  -6.595   5.038
  165   2HB   LYS  23           HB1      LYS  23  -4.076  -6.916   3.366
  166   1HG   LYS  23           HG2      LYS  23  -2.566  -8.416   5.436
  167   2HG   LYS  23           HG1      LYS  23  -4.262  -8.861   5.241
  168   1HD   LYS  23           HD2      LYS  23  -3.352  -8.612   2.625
  169   2HD   LYS  23           HD1      LYS  23  -1.999  -9.372   3.465
  170   1HE   LYS  23           HE2      LYS  23  -4.751 -10.422   4.023
  171   2HE   LYS  23           HE1      LYS  23  -3.976 -10.863   2.487
  172   1HZ   LYS  23           HZ3      LYS  23  -2.253 -10.929   4.818
  173   2HZ   LYS  23           HZ2      LYS  23  -3.478 -12.106   4.805
  174   3HZ   LYS  23           HZ1      LYS  23  -2.365 -12.019   3.524
  175    H    ALA  24           HN       ALA  24  -2.619  -5.416   2.156
  176    HA   ALA  24           HA       ALA  24  -0.804  -7.148   0.894
  177   1HB   ALA  24           HB1      ALA  24  -2.536  -5.550  -0.075
  178   2HB   ALA  24           HB3      ALA  24  -1.342  -4.269   0.137
  179   3HB   ALA  24           HB2      ALA  24  -1.004  -5.619  -0.946
  180    H    LEU  25           HN       LEU  25  -0.150  -3.718   1.760
  181    HA   LEU  25           HA       LEU  25   2.673  -3.870   1.248
  182   1HB   LEU  25           HB2      LEU  25   1.355  -2.043   3.259
  183   2HB   LEU  25           HB1      LEU  25   2.713  -1.692   2.192
  184    HG   LEU  25           HG       LEU  25   0.513  -2.455   0.550
  185   1HD1  LEU  25          HD12      LEU  25  -0.663  -1.734   2.787
  186   2HD1  LEU  25          HD11      LEU  25  -0.242  -0.104   2.261
  187   3HD1  LEU  25          HD13      LEU  25  -1.270  -1.119   1.249
  188   1HD2  LEU  25          HD21      LEU  25   2.305  -0.145   1.017
  189   2HD2  LEU  25          HD23      LEU  25   1.850  -0.928  -0.496
  190   3HD2  LEU  25          HD22      LEU  25   0.766   0.247   0.249
  191    H    SER  26           HN       SER  26   0.719  -4.633   4.059
  192    HA   SER  26           HA       SER  26   2.717  -4.645   6.078
  193   1HB   SER  26           HB2      SER  26   0.158  -6.182   5.584
  194   2HB   SER  26           HB1      SER  26   1.104  -6.419   7.050
  195    HG   SER  26           HG       SER  26  -0.087  -4.773   7.670
  196    H    LYS  27           HN       LYS  27   1.889  -6.908   3.520
  197    HA   LYS  27           HA       LYS  27   4.283  -8.490   4.293
  198   1HB   LYS  27           HB2      LYS  27   2.973 -10.535   3.816
  199   2HB   LYS  27           HB1      LYS  27   2.213  -9.575   5.087
  200   1HG   LYS  27           HG2      LYS  27   0.393 -10.037   3.698
  201   2HG   LYS  27           HG1      LYS  27   0.918  -8.467   3.085
  202   1HD   LYS  27           HD2      LYS  27   1.540  -9.334   1.092
  203   2HD   LYS  27           HD1      LYS  27   2.350 -10.703   1.854
  204   1HE   LYS  27           HE2      LYS  27  -0.330 -11.247   2.325
  205   2HE   LYS  27           HE1      LYS  27  -0.332 -10.571   0.683
  206   1HZ   LYS  27           HZ1      LYS  27   1.689 -12.549   1.553
  207   2HZ   LYS  27           HZ3      LYS  27   0.201 -13.036   0.902
  208   3HZ   LYS  27           HZ2      LYS  27   1.268 -12.097  -0.030
  209    H    VAL  28           HN       VAL  28   3.528  -6.440   2.094
  210    HA   VAL  28           HA       VAL  28   3.291  -7.664  -0.435
  211    HB   VAL  28           HB       VAL  28   3.194  -5.236   0.037
  212   1HG1  VAL  28          HG13      VAL  28   5.230  -5.434   1.637
  213   2HG1  VAL  28          HG12      VAL  28   6.205  -5.250   0.179
  214   3HG1  VAL  28          HG11      VAL  28   5.085  -3.974   0.658
  215   1HG2  VAL  28          HG22      VAL  28   3.752  -6.118  -2.263
  216   2HG2  VAL  28          HG21      VAL  28   4.360  -4.492  -1.951
  217   3HG2  VAL  28          HG23      VAL  28   5.456  -5.871  -1.880
  218    H    GLU  29           HN       GLU  29   6.270  -6.974   1.430
  219    HA   GLU  29           HA       GLU  29   7.679  -9.295   0.627
  220   1HB   GLU  29           HB2      GLU  29   7.474  -7.131  -1.342
  221   2HB   GLU  29           HB1      GLU  29   9.143  -7.603  -1.015
  222   1HG   GLU  29           HG2      GLU  29   7.788 -10.025  -1.161
  223   2HG   GLU  29           HG1      GLU  29   7.056  -9.057  -2.441
  224    H    GLY  30           HN       GLY  30   9.053  -6.063   0.234
  225   1HA   GLY  30           HA2      GLY  30  10.806  -6.596   2.569
  226   2HA   GLY  30           HA1      GLY  30  11.095  -5.383   1.326
  227    H    VAL  31           HN       VAL  31   7.879  -5.135   2.134
  228    HA   VAL  31           HA       VAL  31   7.896  -2.572   3.196
  229    HB   VAL  31           HB       VAL  31   5.910  -3.977   2.598
  230   1HG1  VAL  31          HG13      VAL  31   6.989  -5.801   4.323
  231   2HG1  VAL  31          HG12      VAL  31   5.743  -5.074   5.338
  232   3HG1  VAL  31          HG11      VAL  31   5.305  -5.817   3.800
  233   1HG2  VAL  31          HG21      VAL  31   6.154  -1.968   4.529
  234   2HG2  VAL  31          HG23      VAL  31   4.656  -2.496   3.762
  235   3HG2  VAL  31          HG22      VAL  31   5.151  -3.194   5.305
  236    H    SER  32           HN       SER  32   8.677  -1.671   4.989
  237    HA   SER  32           HA       SER  32   9.495  -3.444   7.252
  238   1HB   SER  32           HB2      SER  32  10.925  -1.647   5.751
  239   2HB   SER  32           HB1      SER  32  10.442  -0.646   7.118
  240    HG   SER  32           HG       SER  32  11.171  -2.661   8.348
  241    H    LYS  33           HN       LYS  33   7.192  -1.159   6.297
  242    HA   LYS  33           HA       LYS  33   6.045  -1.050   8.984
  243   1HB   LYS  33           HB2      LYS  33   7.313   0.693   9.679
  244   2HB   LYS  33           HB1      LYS  33   7.966   0.945   8.069
  245   1HG   LYS  33           HG2      LYS  33   6.847   2.964   8.533
  246   2HG   LYS  33           HG1      LYS  33   5.671   2.083   7.563
  247   1HD   LYS  33           HD2      LYS  33   4.256   2.538   9.292
  248   2HD   LYS  33           HD1      LYS  33   5.067   1.180  10.074
  249   1HE   LYS  33           HE2      LYS  33   6.803   3.248  10.619
  250   2HE   LYS  33           HE1      LYS  33   5.223   4.053  10.707
  251   1HZ   LYS  33           HZ2      LYS  33   5.931   1.490  12.040
  252   2HZ   LYS  33           HZ1      LYS  33   5.788   2.993  12.819
  253   3HZ   LYS  33           HZ3      LYS  33   4.423   2.268  12.121
  254    H    VAL  34           HN       VAL  34   3.947   0.225   8.941
  255    HA   VAL  34           HA       VAL  34   2.968   0.901   6.219
  256    HB   VAL  34           HB       VAL  34   1.864  -1.281   8.013
  257   1HG1  VAL  34          HG12      VAL  34   0.801  -0.048   5.458
  258   2HG1  VAL  34          HG11      VAL  34   0.247  -1.599   6.090
  259   3HG1  VAL  34          HG13      VAL  34  -0.004  -0.125   7.025
  260   1HG2  VAL  34          HG22      VAL  34   3.162  -1.275   5.271
  261   2HG2  VAL  34          HG21      VAL  34   3.776  -2.041   6.737
  262   3HG2  VAL  34          HG23      VAL  34   2.326  -2.670   5.953
  263    H    ASP  35           HN       ASP  35   0.816   1.923   6.294
  264    HA   ASP  35           HA       ASP  35  -0.459   2.654   8.795
  265   1HB   ASP  35           HB2      ASP  35   1.870   4.011   8.252
  266   2HB   ASP  35           HB1      ASP  35   0.675   5.059   7.488
  267    H    VAL  36           HN       VAL  36  -2.209   1.851   7.369
  268    HA   VAL  36           HA       VAL  36  -2.847   3.602   5.031
  269    HB   VAL  36           HB       VAL  36  -3.925   0.906   5.892
  270   1HG1  VAL  36          HG13      VAL  36  -4.123   2.528   3.353
  271   2HG1  VAL  36          HG12      VAL  36  -4.389   0.787   3.367
  272   3HG1  VAL  36          HG11      VAL  36  -5.430   1.846   4.318
  273   1HG2  VAL  36          HG23      VAL  36  -1.362   1.673   4.793
  274   2HG2  VAL  36          HG22      VAL  36  -1.921   0.074   5.284
  275   3HG2  VAL  36          HG21      VAL  36  -2.235   0.654   3.648
  276    H    GLY  37           HN       GLY  37  -5.329   3.701   4.656
  277   1HA   GLY  37           HA2      GLY  37  -6.764   4.187   7.218
  278   2HA   GLY  37           HA1      GLY  37  -6.792   5.392   5.929
  279    H    PHE  38           HN       PHE  38  -8.489   2.921   7.240
  280    HA   PHE  38           HA       PHE  38  -9.646   1.761   4.798
  281   1HB   PHE  38           HB2      PHE  38 -11.074   0.583   6.581
  282   2HB   PHE  38           HB1      PHE  38  -9.346   0.257   6.617
  283    HD1  PHE  38           HD2      PHE  38 -12.111   2.099   8.262
  284    HD2  PHE  38           HD1      PHE  38  -7.957   1.017   8.448
  285    HE1  PHE  38           HE2      PHE  38 -12.005   2.904  10.600
  286    HE2  PHE  38           HE1      PHE  38  -7.856   1.817  10.791
  287    HZ   PHE  38           HZ       PHE  38  -9.879   2.764  11.867
  288    H    GLU  39           HN       GLU  39 -10.188   4.199   4.347
  289    HA   GLU  39           HA       GLU  39 -13.034   4.528   4.431
  290   1HB   GLU  39           HB2      GLU  39 -12.409   4.890   6.859
  291   2HB   GLU  39           HB1      GLU  39 -11.461   6.285   6.348
  292   1HG   GLU  39           HG2      GLU  39 -13.904   6.700   5.105
  293   2HG   GLU  39           HG1      GLU  39 -14.358   6.028   6.672
  294    H    LYS  40           HN       LYS  40 -10.270   6.748   4.875
  295    HA   LYS  40           HA       LYS  40 -11.091   8.478   2.685
  296   1HB   LYS  40           HB2      LYS  40  -8.727   8.168   4.530
  297   2HB   LYS  40           HB1      LYS  40  -8.640   9.295   3.175
  298   1HG   LYS  40           HG2      LYS  40 -11.153   9.729   4.397
  299   2HG   LYS  40           HG1      LYS  40  -9.977   9.624   5.709
  300   1HD   LYS  40           HD2      LYS  40  -8.818  11.151   3.582
  301   2HD   LYS  40           HD1      LYS  40 -10.419  11.807   3.932
  302   1HE   LYS  40           HE2      LYS  40  -9.869  12.289   6.173
  303   2HE   LYS  40           HE1      LYS  40  -8.502  11.157   6.175
  304   1HZ   LYS  40           HZ2      LYS  40  -7.717  12.663   4.208
  305   2HZ   LYS  40           HZ1      LYS  40  -8.701  13.825   4.962
  306   3HZ   LYS  40           HZ3      LYS  40  -7.412  13.126   5.814
  307    H    ARG  41           HN       ARG  41  -9.751   5.418   2.756
  308    HA   ARG  41           HA       ARG  41  -8.715   4.078   1.130
  309   1HB   ARG  41           HB2      ARG  41 -10.480   5.002  -0.255
  310   2HB   ARG  41           HB1      ARG  41  -9.549   6.474  -0.519
  311   1HG   ARG  41           HG2      ARG  41  -7.898   4.249  -1.205
  312   2HG   ARG  41           HG1      ARG  41  -9.450   4.049  -2.017
  313   1HD   ARG  41           HD2      ARG  41  -7.643   6.492  -2.159
  314   2HD   ARG  41           HD1      ARG  41  -8.007   5.364  -3.474
  315    HE   ARG  41           HE       ARG  41 -10.503   6.221  -2.544
  316   1HH1  ARG  41          HH21      ARG  41  -7.620   7.668  -3.780
  317   2HH1  ARG  41          HH22      ARG  41  -8.447   9.012  -4.492
  318   1HH2  ARG  41          HH11      ARG  41 -11.588   7.969  -3.474
  319   2HH2  ARG  41          HH12      ARG  41 -10.687   9.182  -4.320
  320    H    GLU  42           HN       GLU  42  -6.664   4.684   2.396
  321    HA   GLU  42           HA       GLU  42  -4.733   5.763   0.412
  322   1HB   GLU  42           HB2      GLU  42  -3.968   7.554   1.922
  323   2HB   GLU  42           HB1      GLU  42  -5.686   7.740   1.568
  324   1HG   GLU  42           HG2      GLU  42  -6.017   6.291   3.727
  325   2HG   GLU  42           HG1      GLU  42  -4.371   6.803   4.104
  326    H    ALA  43           HN       ALA  43  -2.978   4.412   0.521
  327    HA   ALA  43           HA       ALA  43  -2.396   3.090   3.147
  328   1HB   ALA  43           HB3      ALA  43  -2.733   2.199   0.479
  329   2HB   ALA  43           HB2      ALA  43  -1.024   1.989   0.858
  330   3HB   ALA  43           HB1      ALA  43  -2.252   1.231   1.872
  331    H    VAL  44           HN       VAL  44  -0.720   4.056   4.201
  332    HA   VAL  44           HA       VAL  44   1.503   5.251   2.592
  333    HB   VAL  44           HB       VAL  44   0.091   5.879   5.144
  334   1HG1  VAL  44          HG11      VAL  44   3.035   6.477   4.710
  335   2HG1  VAL  44          HG13      VAL  44   2.037   7.192   5.977
  336   3HG1  VAL  44          HG12      VAL  44   2.358   5.457   5.979
  337   1HG2  VAL  44          HG22      VAL  44   1.288   7.371   2.816
  338   2HG2  VAL  44          HG21      VAL  44  -0.391   7.334   3.357
  339   3HG2  VAL  44          HG23      VAL  44   0.817   8.221   4.288
  340    H    VAL  45           HN       VAL  45   3.281   3.929   2.534
  341    HA   VAL  45           HA       VAL  45   3.800   2.240   4.960
  342    HB   VAL  45           HB       VAL  45   3.577   1.542   2.039
  343   1HG1  VAL  45          HG13      VAL  45   5.734   0.616   3.145
  344   2HG1  VAL  45          HG12      VAL  45   4.641  -0.379   4.104
  345   3HG1  VAL  45          HG11      VAL  45   4.658  -0.532   2.351
  346   1HG2  VAL  45          HG23      VAL  45   2.076   1.092   4.499
  347   2HG2  VAL  45          HG22      VAL  45   1.570   0.876   2.823
  348   3HG2  VAL  45          HG21      VAL  45   2.431  -0.417   3.657
  349    H    THR  46           HN       THR  46   5.938   1.543   5.235
  350    HA   THR  46           HA       THR  46   8.081   3.161   3.878
  351    HB   THR  46           HB       THR  46   7.644   2.043   6.658
  352    HG1  THR  46           HG1      THR  46   8.467   4.208   7.122
  353   1HG2  THR  46          HG23      THR  46  10.274   2.714   5.333
  354   2HG2  THR  46          HG22      THR  46  10.073   2.719   7.085
  355   3HG2  THR  46          HG21      THR  46   9.829   1.229   6.175
  356    H    PHE  47           HN       PHE  47  10.016   1.844   3.318
  357    HA   PHE  47           HA       PHE  47  10.006  -1.011   3.829
  358   1HB   PHE  47           HB2      PHE  47   9.421  -1.733   1.579
  359   2HB   PHE  47           HB1      PHE  47   8.134  -0.688   2.186
  360    HD1  PHE  47           HD2      PHE  47  11.149  -0.795  -0.015
  361    HD2  PHE  47           HD1      PHE  47   7.671   1.433   1.196
  362    HE1  PHE  47           HE2      PHE  47  11.502   0.776  -1.888
  363    HE2  PHE  47           HE1      PHE  47   8.028   3.003  -0.687
  364    HZ   PHE  47           HZ       PHE  47   9.942   2.676  -2.226
  365    H    ASP  48           HN       ASP  48  11.570  -2.119   2.238
  366    HA   ASP  48           HA       ASP  48  13.927  -0.332   1.890
  367   1HB   ASP  48           HB2      ASP  48  13.504  -3.282   2.395
  368   2HB   ASP  48           HB1      ASP  48  15.052  -2.682   1.801
  369    H    ASP  49           HN       ASP  49  14.355   0.183  -0.223
  370    HA   ASP  49           HA       ASP  49  12.759  -0.904  -2.351
  371   1HB   ASP  49           HB2      ASP  49  13.803   0.750  -3.613
  372   2HB   ASP  49           HB1      ASP  49  14.067   1.365  -1.983
  373    H    THR  50           HN       THR  50  15.277  -2.376  -0.754
  374    HA   THR  50           HA       THR  50  16.764  -3.532  -2.958
  375    HB   THR  50           HB       THR  50  17.529  -5.058  -1.084
  376    HG1  THR  50           HG1      THR  50  15.885  -5.183   0.289
  377   1HG2  THR  50          HG21      THR  50  18.213  -2.510  -1.616
  378   2HG2  THR  50          HG23      THR  50  17.616  -2.303   0.030
  379   3HG2  THR  50          HG22      THR  50  18.934  -3.429  -0.295
  380    H    LYS  51           HN       LYS  51  13.888  -4.509  -1.116
  381    HA   LYS  51           HA       LYS  51  13.658  -6.901  -2.911
  382   1HB   LYS  51           HB2      LYS  51  13.761  -6.625  -0.079
  383   2HB   LYS  51           HB1      LYS  51  12.124  -7.133  -0.496
  384   1HG   LYS  51           HG2      LYS  51  13.090  -8.970  -1.885
  385   2HG   LYS  51           HG1      LYS  51  14.699  -8.498  -1.336
  386   1HD   LYS  51           HD2      LYS  51  14.382  -9.882   0.417
  387   2HD   LYS  51           HD1      LYS  51  13.213  -8.705   1.017
  388   1HE   LYS  51           HE2      LYS  51  11.458  -9.870  -0.413
  389   2HE   LYS  51           HE1      LYS  51  12.653 -11.155  -0.680
  390   1HZ   LYS  51           HZ1      LYS  51  12.949 -11.079   1.839
  391   2HZ   LYS  51           HZ3      LYS  51  11.473 -10.245   1.874
  392   3HZ   LYS  51           HZ2      LYS  51  11.542 -11.821   1.243
  393    H    ALA  52           HN       ALA  52  12.234  -3.982  -1.883
  394    HA   ALA  52           HA       ALA  52   9.758  -4.632  -3.417
  395   1HB   ALA  52           HB1      ALA  52  10.095  -4.100  -0.550
  396   2HB   ALA  52           HB3      ALA  52   8.897  -3.051  -1.307
  397   3HB   ALA  52           HB2      ALA  52   8.721  -4.803  -1.402
  398    H    SER  53           HN       SER  53   8.445  -2.260  -3.195
  399    HA   SER  53           HA       SER  53  10.050   0.112  -3.306
  400   1HB   SER  53           HB2      SER  53   9.934   0.270  -5.880
  401   2HB   SER  53           HB1      SER  53  11.123  -0.838  -5.201
  402    HG   SER  53           HG       SER  53  10.080  -2.428  -6.087
  403    H    VAL  54           HN       VAL  54   8.775   1.962  -4.026
  404    HA   VAL  54           HA       VAL  54   6.151   2.165  -3.270
  405    HB   VAL  54           HB       VAL  54   6.124   4.141  -4.651
  406   1HG1  VAL  54          HG12      VAL  54   8.047   3.685  -2.843
  407   2HG1  VAL  54          HG11      VAL  54   9.060   3.917  -4.267
  408   3HG1  VAL  54          HG13      VAL  54   7.955   5.191  -3.756
  409   1HG2  VAL  54          HG22      VAL  54   8.252   2.701  -6.244
  410   2HG2  VAL  54          HG21      VAL  54   6.663   3.218  -6.807
  411   3HG2  VAL  54          HG23      VAL  54   7.902   4.418  -6.438
  412    H    GLN  55           HN       GLN  55   7.338   1.093  -6.446
  413    HA   GLN  55           HA       GLN  55   4.809   0.832  -7.745
  414   1HB   GLN  55           HB2      GLN  55   7.356   0.630  -8.490
  415   2HB   GLN  55           HB1      GLN  55   7.076  -1.086  -8.194
  416   1HG   GLN  55           HG2      GLN  55   6.255  -1.132 -10.304
  417   2HG   GLN  55           HG1      GLN  55   4.826  -0.360  -9.615
  418   1HE2  GLN  55          HE22      GLN  55   7.466   1.885 -11.814
  419   2HE2  GLN  55          HE21      GLN  55   7.939   0.361 -11.237
  420    H    LYS  56           HN       LYS  56   6.777  -1.549  -5.951
  421    HA   LYS  56           HA       LYS  56   4.953  -3.735  -6.120
  422   1HB   LYS  56           HB2      LYS  56   7.478  -3.126  -5.067
  423   2HB   LYS  56           HB1      LYS  56   6.523  -3.630  -3.673
  424   1HG   LYS  56           HG2      LYS  56   6.691  -5.777  -4.315
  425   2HG   LYS  56           HG1      LYS  56   5.927  -5.385  -5.856
  426   1HD   LYS  56           HD2      LYS  56   8.739  -4.525  -5.655
  427   2HD   LYS  56           HD1      LYS  56   8.511  -6.274  -5.591
  428   1HE   LYS  56           HE2      LYS  56   7.515  -6.350  -7.725
  429   2HE   LYS  56           HE1      LYS  56   7.106  -4.623  -7.695
  430   1HZ   LYS  56           HZ3      LYS  56   9.915  -5.260  -7.340
  431   2HZ   LYS  56           HZ2      LYS  56   9.291  -5.591  -8.885
  432   3HZ   LYS  56           HZ1      LYS  56   9.191  -4.021  -8.244
  433    H    LEU  57           HN       LEU  57   4.985  -0.908  -3.997
  434    HA   LEU  57           HA       LEU  57   3.257  -2.044  -1.957
  435   1HB   LEU  57           HB2      LEU  57   3.680   0.847  -2.792
  436   2HB   LEU  57           HB1      LEU  57   3.130   0.279  -1.217
  437    HG   LEU  57           HG       LEU  57   5.825  -0.442  -2.405
  438   1HD1  LEU  57          HD13      LEU  57   5.035   2.063  -1.512
  439   2HD1  LEU  57          HD12      LEU  57   5.799   1.347  -0.095
  440   3HD1  LEU  57          HD11      LEU  57   6.696   1.482  -1.608
  441   1HD2  LEU  57          HD23      LEU  57   4.303  -1.291  -0.087
  442   2HD2  LEU  57          HD22      LEU  57   5.834  -1.917  -0.699
  443   3HD2  LEU  57          HD21      LEU  57   5.823  -0.542   0.405
  444    H    THR  58           HN       THR  58   2.700   0.226  -4.650
  445    HA   THR  58           HA       THR  58  -0.169   0.235  -4.459
  446    HB   THR  58           HB       THR  58   1.696   0.756  -6.803
  447    HG1  THR  58           HG1      THR  58   2.143   1.977  -4.900
  448   1HG2  THR  58          HG22      THR  58  -0.917   0.525  -7.072
  449   2HG2  THR  58          HG21      THR  58  -0.929   2.132  -6.345
  450   3HG2  THR  58          HG23      THR  58  -0.063   1.853  -7.857
  451    H    LYS  59           HN       LYS  59   2.166  -1.990  -5.706
  452    HA   LYS  59           HA       LYS  59   0.318  -3.362  -7.531
  453   1HB   LYS  59           HB2      LYS  59   3.126  -3.270  -6.956
  454   2HB   LYS  59           HB1      LYS  59   2.588  -4.940  -6.797
  455   1HG   LYS  59           HG2      LYS  59   1.435  -3.579  -9.124
  456   2HG   LYS  59           HG1      LYS  59   3.195  -3.688  -9.185
  457   1HD   LYS  59           HD2      LYS  59   2.533  -5.719 -10.154
  458   2HD   LYS  59           HD1      LYS  59   2.817  -6.175  -8.474
  459   1HE   LYS  59           HE2      LYS  59   0.598  -6.586  -8.082
  460   2HE   LYS  59           HE1      LYS  59   0.074  -5.202  -9.061
  461   1HZ   LYS  59           HZ1      LYS  59   1.403  -7.115 -10.680
  462   2HZ   LYS  59           HZ3      LYS  59   0.135  -7.863  -9.838
  463   3HZ   LYS  59           HZ2      LYS  59  -0.180  -6.514 -10.821
  464    H    ALA  60           HN       ALA  60   1.290  -3.499  -4.166
  465    HA   ALA  60           HA       ALA  60   0.358  -6.210  -3.677
  466   1HB   ALA  60           HB1      ALA  60   1.966  -4.645  -2.331
  467   2HB   ALA  60           HB3      ALA  60   0.485  -3.971  -1.652
  468   3HB   ALA  60           HB2      ALA  60   0.863  -5.678  -1.422
  469    H    THR  61           HN       THR  61  -1.068  -2.955  -3.339
  470    HA   THR  61           HA       THR  61  -3.642  -4.002  -2.377
  471    HB   THR  61           HB       THR  61  -2.699  -1.733  -1.915
  472    HG1  THR  61           HG1      THR  61  -5.090  -2.369  -2.283
  473   1HG2  THR  61          HG23      THR  61  -1.762  -1.497  -4.269
  474   2HG2  THR  61          HG22      THR  61  -3.402  -1.106  -4.784
  475   3HG2  THR  61          HG21      THR  61  -2.571  -0.070  -3.624
  476    H    ALA  62           HN       ALA  62  -2.209  -2.934  -5.432
  477    HA   ALA  62           HA       ALA  62  -4.527  -3.120  -7.073
  478   1HB   ALA  62           HB2      ALA  62  -1.547  -3.371  -7.455
  479   2HB   ALA  62           HB1      ALA  62  -2.632  -3.652  -8.816
  480   3HB   ALA  62           HB3      ALA  62  -2.621  -2.086  -8.006
  481    H    ASP  63           HN       ASP  63  -2.299  -5.496  -5.744
  482    HA   ASP  63           HA       ASP  63  -3.435  -7.704  -7.339
  483   1HB   ASP  63           HB2      ASP  63  -0.995  -7.322  -6.465
  484   2HB   ASP  63           HB1      ASP  63  -1.625  -7.945  -4.939
  485    H    ALA  64           HN       ALA  64  -3.958  -6.105  -4.292
  486    HA   ALA  64           HA       ALA  64  -5.268  -8.301  -2.923
  487   1HB   ALA  64           HB2      ALA  64  -5.220  -5.281  -2.678
  488   2HB   ALA  64           HB1      ALA  64  -6.168  -6.288  -1.583
  489   3HB   ALA  64           HB3      ALA  64  -4.414  -6.461  -1.644
  490    H    GLY  65           HN       GLY  65  -6.082  -6.098  -5.444
  491   1HA   GLY  65           HA2      GLY  65  -8.072  -6.759  -6.814
  492   2HA   GLY  65           HA1      GLY  65  -8.921  -6.988  -5.288
  493    H    TYR  66           HN       TYR  66  -6.726  -4.320  -5.600
  494    HA   TYR  66           HA       TYR  66  -9.021  -2.459  -6.056
  495   1HB   TYR  66           HB2      TYR  66  -6.916  -2.143  -3.897
  496   2HB   TYR  66           HB1      TYR  66  -8.418  -1.236  -4.082
  497    HD1  TYR  66           HD1      TYR  66 -10.516  -3.002  -4.468
  498    HD2  TYR  66           HD2      TYR  66  -6.992  -3.667  -2.090
  499    HE1  TYR  66           HE1      TYR  66 -11.748  -4.670  -3.109
  500    HE2  TYR  66           HE2      TYR  66  -8.227  -5.337  -0.741
  501    HH   TYR  66           HH       TYR  66 -10.195  -6.822  -0.999
  502    HA   PRO  67           HA       PRO  67  -5.623  -1.286  -8.898
  503   1HB   PRO  67           HB2      PRO  67  -7.575   0.550 -10.004
  504   2HB   PRO  67           HB1      PRO  67  -6.878  -0.891 -10.750
  505   1HG   PRO  67           HG2      PRO  67  -9.535  -0.566  -9.755
  506   2HG   PRO  67           HG1      PRO  67  -8.808  -2.029 -10.426
  507   1HD   PRO  67           HD2      PRO  67  -9.513  -1.507  -7.678
  508   2HD   PRO  67           HD1      PRO  67  -8.768  -2.976  -8.354
  509    H    SER  68           HN       SER  68  -4.420  -0.127  -7.292
  510    HA   SER  68           HA       SER  68  -5.412   2.616  -6.611
  511   1HB   SER  68           HB2      SER  68  -4.353   2.312  -4.572
  512   2HB   SER  68           HB1      SER  68  -4.721   0.636  -4.969
  513    HG   SER  68           HG       SER  68  -2.553   0.795  -6.096
  514    H    SER  69           HN       SER  69  -3.006   3.709  -5.807
  515    HA   SER  69           HA       SER  69  -1.054   3.544  -8.009
  516   1HB   SER  69           HB2      SER  69  -1.609   5.568  -8.992
  517   2HB   SER  69           HB1      SER  69  -3.208   5.113  -8.412
  518    HG   SER  69           HG       SER  69  -2.880   7.124  -7.626
  519    H    VAL  70           HN       VAL  70   0.482   5.693  -7.487
  520    HA   VAL  70           HA       VAL  70   0.812   5.792  -4.523
  521    HB   VAL  70           HB       VAL  70   2.152   4.084  -5.862
  522   1HG1  VAL  70          HG12      VAL  70   2.617   6.048  -7.600
  523   2HG1  VAL  70          HG11      VAL  70   4.002   6.335  -6.546
  524   3HG1  VAL  70          HG13      VAL  70   3.803   4.770  -7.335
  525   1HG2  VAL  70          HG22      VAL  70   2.853   5.748  -3.667
  526   2HG2  VAL  70          HG21      VAL  70   3.494   4.149  -4.042
  527   3HG2  VAL  70          HG23      VAL  70   4.301   5.590  -4.660
  528    H    LYS  71           HN       LYS  71   1.997   7.687  -3.748
  529    HA   LYS  71           HA       LYS  71   2.694   9.752  -5.769
  530   1HB   LYS  71           HB2      LYS  71   1.001  11.338  -4.796
  531   2HB   LYS  71           HB1      LYS  71   0.288   9.964  -5.645
  532   1HG   LYS  71           HG2      LYS  71   0.569   8.948  -3.124
  533   2HG   LYS  71           HG1      LYS  71   0.215  10.642  -2.777
  534   1HD   LYS  71           HD2      LYS  71  -1.440   9.342  -4.875
  535   2HD   LYS  71           HD1      LYS  71  -1.718   8.816  -3.214
  536   1HE   LYS  71           HE2      LYS  71  -3.196  10.664  -3.483
  537   2HE   LYS  71           HE1      LYS  71  -1.790  11.370  -2.660
  538   1HZ   LYS  71           HZ1      LYS  71  -2.100  11.246  -5.611
  539   2HZ   LYS  71           HZ3      LYS  71  -2.482  12.611  -4.682
  540   3HZ   LYS  71           HZ2      LYS  71  -0.880  12.049  -4.744
  541    H    GLN  72           HN       GLN  72   4.474   8.723  -4.009
  542    HA   GLN  72           HA       GLN  72   5.525  10.962  -2.638
  543   1HB   GLN  72           HB2      GLN  72   3.363   9.524  -1.302
  544   2HB   GLN  72           HB1      GLN  72   4.819   9.602  -0.308
  545   1HG   GLN  72           HG2      GLN  72   4.495  12.150  -1.526
  546   2HG   GLN  72           HG1      GLN  72   2.927  11.687  -0.866
  547   1HE2  GLN  72          HE22      GLN  72   5.017  13.312   1.828
  548   2HE2  GLN  72          HE21      GLN  72   4.543  13.803   0.274
   
  No H/Q in entry =         548
  Start of MODEL    6
    1   1H    ALA   1           HT2      ALA   1  18.348   2.589   1.588
    2   2H    ALA   1           HT1      ALA   1  18.637   0.919   1.468
    3   3H    ALA   1           HT3      ALA   1  19.105   1.952   0.207
    4    HA   ALA   1           HA       ALA   1  16.857   2.394  -0.403
    5   1HB   ALA   1           HB3      ALA   1  18.185   0.091  -0.740
    6   2HB   ALA   1           HB2      ALA   1  16.823  -0.537   0.188
    7   3HB   ALA   1           HB1      ALA   1  16.539   0.299  -1.339
    8    H    THR   2           HN       THR   2  15.687   3.481   1.323
    9    HA   THR   2           HA       THR   2  13.829   1.736   2.807
   10    HB   THR   2           HB       THR   2  14.463   3.781   4.557
   11    HG1  THR   2           HG1      THR   2  16.345   4.448   3.934
   12   1HG2  THR   2          HG22      THR   2  15.048   0.892   4.307
   13   2HG2  THR   2          HG21      THR   2  16.031   1.773   5.477
   14   3HG2  THR   2          HG23      THR   2  14.274   1.773   5.625
   15    H    GLN   3           HN       GLN   3  12.365   2.583   1.172
   16    HA   GLN   3           HA       GLN   3  11.839   5.528   1.388
   17   1HB   GLN   3           HB2      GLN   3  10.992   3.686  -0.846
   18   2HB   GLN   3           HB1      GLN   3  11.209   5.435  -0.895
   19   1HG   GLN   3           HG2      GLN   3  13.415   3.386  -0.528
   20   2HG   GLN   3           HG1      GLN   3  13.092   4.303  -2.000
   21   1HE2  GLN   3          HE22      GLN   3  15.744   6.142  -0.145
   22   2HE2  GLN   3          HE21      GLN   3  15.613   4.621  -0.887
   23    H    THR   4           HN       THR   4   9.790   6.244   1.819
   24    HA   THR   4           HA       THR   4   7.649   4.210   2.182
   25    HB   THR   4           HB       THR   4   7.810   4.781   4.350
   26    HG1  THR   4           HG1      THR   4   6.221   6.095   4.568
   27   1HG2  THR   4          HG22      THR   4   9.381   7.224   3.538
   28   2HG2  THR   4          HG21      THR   4   9.149   6.672   5.197
   29   3HG2  THR   4          HG23      THR   4  10.055   5.678   4.057
   30    H    VAL   5           HN       VAL   5   5.976   4.623   0.841
   31    HA   VAL   5           HA       VAL   5   5.518   7.445  -0.103
   32    HB   VAL   5           HB       VAL   5   4.723   6.402  -2.151
   33   1HG1  VAL   5          HG13      VAL   5   7.308   6.491  -1.408
   34   2HG1  VAL   5          HG12      VAL   5   7.146   4.749  -1.630
   35   3HG1  VAL   5          HG11      VAL   5   6.799   5.844  -2.968
   36   1HG2  VAL   5          HG22      VAL   5   3.711   4.419  -0.942
   37   2HG2  VAL   5          HG21      VAL   5   4.580   4.010  -2.421
   38   3HG2  VAL   5          HG23      VAL   5   5.333   3.734  -0.851
   39    H    THR   6           HN       THR   6   3.172   7.742  -0.727
   40    HA   THR   6           HA       THR   6   1.421   6.476   1.330
   41    HB   THR   6           HB       THR   6   1.822   8.990   1.308
   42    HG1  THR   6           HG1      THR   6  -0.648   9.312   1.005
   43   1HG2  THR   6          HG23      THR   6   1.502   8.669  -1.424
   44   2HG2  THR   6          HG22      THR   6  -0.020   9.406  -0.924
   45   3HG2  THR   6          HG21      THR   6   1.509  10.209  -0.565
   46    H    LEU   7           HN       LEU   7  -0.708   5.765   0.518
   47    HA   LEU   7           HA       LEU   7  -0.730   5.467  -2.462
   48   1HB   LEU   7           HB2      LEU   7  -0.443   3.481  -0.391
   49   2HB   LEU   7           HB1      LEU   7  -1.932   3.184  -1.276
   50    HG   LEU   7           HG       LEU   7  -0.729   3.158  -3.380
   51   1HD1  LEU   7          HD11      LEU   7   1.608   3.982  -1.661
   52   2HD1  LEU   7          HD13      LEU   7   1.810   3.317  -3.281
   53   3HD1  LEU   7          HD12      LEU   7   0.932   4.823  -3.049
   54   1HD2  LEU   7          HD21      LEU   7  -0.659   1.127  -1.727
   55   2HD2  LEU   7          HD23      LEU   7   0.426   1.114  -3.118
   56   3HD2  LEU   7          HD22      LEU   7   1.038   1.563  -1.526
   57    H    ALA   8           HN       ALA   8  -2.825   5.070  -3.347
   58    HA   ALA   8           HA       ALA   8  -5.092   6.031  -1.622
   59   1HB   ALA   8           HB3      ALA   8  -3.872   7.440  -3.599
   60   2HB   ALA   8           HB2      ALA   8  -5.102   6.593  -4.538
   61   3HB   ALA   8           HB1      ALA   8  -5.577   7.631  -3.194
   62    H    VAL   9           HN       VAL   9  -6.701   4.501  -1.534
   63    HA   VAL   9           HA       VAL   9  -6.841   2.481  -3.758
   64    HB   VAL   9           HB       VAL   9  -7.973   2.270  -0.961
   65   1HG1  VAL   9          HG11      VAL   9  -8.583   0.649  -2.850
   66   2HG1  VAL   9          HG13      VAL   9  -6.904   0.112  -2.784
   67   3HG1  VAL   9          HG12      VAL   9  -7.945  -0.073  -1.372
   68   1HG2  VAL   9          HG23      VAL   9  -5.158   1.759  -1.949
   69   2HG2  VAL   9          HG22      VAL   9  -5.664   2.752  -0.582
   70   3HG2  VAL   9          HG21      VAL   9  -5.800   0.996  -0.495
   71    HA   PRO  10           HA       PRO  10 -10.808   4.944  -3.964
   72   1HB   PRO  10           HB2      PRO  10 -10.660   5.099  -6.760
   73   2HB   PRO  10           HB1      PRO  10 -10.181   6.367  -5.626
   74   1HG   PRO  10           HG2      PRO  10  -8.491   4.651  -7.286
   75   2HG   PRO  10           HG1      PRO  10  -8.064   6.123  -6.409
   76   1HD   PRO  10           HD2      PRO  10  -7.404   3.432  -5.689
   77   2HD   PRO  10           HD1      PRO  10  -7.104   4.909  -4.746
   78    H    GLY  11           HN       GLY  11  -9.535   2.128  -5.649
   79   1HA   GLY  11           HA2      GLY  11 -11.709   1.181  -7.093
   80   2HA   GLY  11           HA1      GLY  11 -10.621   0.113  -6.204
   81    H    MET  12           HN       MET  12 -11.138   0.679  -3.600
   82    HA   MET  12           HA       MET  12 -14.083   0.536  -3.213
   83   1HB   MET  12           HB2      MET  12 -12.034  -1.589  -2.534
   84   2HB   MET  12           HB1      MET  12 -13.671  -1.584  -1.875
   85   1HG   MET  12           HG2      MET  12 -12.993  -1.600  -4.832
   86   2HG   MET  12           HG1      MET  12 -13.483  -3.016  -3.902
   87   1HE   MET  12           HE2      MET  12 -15.486  -2.860  -2.267
   88   2HE   MET  12           HE1      MET  12 -15.545  -1.143  -1.878
   89   3HE   MET  12           HE3      MET  12 -16.965  -1.948  -2.558
   90    H    THR  13           HN       THR  13 -14.663   0.818  -0.912
   91    HA   THR  13           HA       THR  13 -12.722   1.275   1.156
   92    HB   THR  13           HB       THR  13 -11.998   3.140  -0.133
   93    HG1  THR  13           HG1      THR  13 -13.296   4.914   1.102
   94   1HG2  THR  13          HG23      THR  13 -13.890   3.136  -1.718
   95   2HG2  THR  13          HG22      THR  13 -14.926   3.843  -0.479
   96   3HG2  THR  13          HG21      THR  13 -13.565   4.763  -1.119
   97    H    CYS  14           HN       CYS  14 -14.067   0.615   2.815
   98    HA   CYS  14           HA       CYS  14 -16.364   2.253   3.521
   99   1HB   CYS  14           HB2      CYS  14 -18.106   0.771   2.956
  100   2HB   CYS  14           HB1      CYS  14 -17.029   0.664   1.569
  101    H    ALA  15           HN       ALA  15 -14.759  -0.917   4.000
  102    HA   ALA  15           HA       ALA  15 -14.262  -0.456   6.782
  103   1HB   ALA  15           HB1      ALA  15 -16.775  -1.976   6.032
  104   2HB   ALA  15           HB3      ALA  15 -16.054  -2.037   7.640
  105   3HB   ALA  15           HB2      ALA  15 -16.665  -0.509   7.006
  106    H    ALA  16           HN       ALA  16 -13.119  -1.765   4.325
  107    HA   ALA  16           HA       ALA  16 -11.782  -3.971   5.554
  108   1HB   ALA  16           HB1      ALA  16 -14.045  -4.948   5.419
  109   2HB   ALA  16           HB3      ALA  16 -14.074  -4.645   3.682
  110   3HB   ALA  16           HB2      ALA  16 -12.934  -5.809   4.356
  111    H    CYS  17           HN       CYS  17 -12.909  -2.483   2.526
  112    HA   CYS  17           HA       CYS  17 -10.945  -3.752   0.837
  113   1HB   CYS  17           HB2      CYS  17 -12.438  -1.141   0.456
  114   2HB   CYS  17           HB1      CYS  17 -11.726  -2.138  -0.805
  115    HA   PRO  18           HA       PRO  18  -8.397   0.276   1.411
  116   1HB   PRO  18           HB2      PRO  18  -9.005   1.631   3.788
  117   2HB   PRO  18           HB1      PRO  18  -9.534   2.114   2.175
  118   1HG   PRO  18           HG2      PRO  18 -11.118   0.964   4.355
  119   2HG   PRO  18           HG1      PRO  18 -11.668   1.765   2.880
  120   1HD   PRO  18           HD2      PRO  18 -11.703  -1.034   3.458
  121   2HD   PRO  18           HD1      PRO  18 -12.139  -0.254   1.926
  122    H    ILE  19           HN       ILE  19  -9.617  -0.995   4.485
  123    HA   ILE  19           HA       ILE  19  -7.238  -1.267   5.971
  124    HB   ILE  19           HB       ILE  19  -9.664  -3.086   5.769
  125   1HG1  ILE  19          HG12      ILE  19  -9.702  -1.110   7.892
  126   2HG1  ILE  19          HG11      ILE  19  -9.552  -0.335   6.315
  127   1HG2  ILE  19          HG21      ILE  19  -7.448  -2.780   7.723
  128   2HG2  ILE  19          HG23      ILE  19  -9.068  -3.010   8.383
  129   3HG2  ILE  19          HG22      ILE  19  -8.383  -4.211   7.289
  130   1HD1  ILE  19          HD13      ILE  19 -11.554  -2.540   6.696
  131   2HD1  ILE  19          HD12      ILE  19 -11.939  -0.910   7.245
  132   3HD1  ILE  19          HD11      ILE  19 -11.574  -1.203   5.545
  133    H    THR  20           HN       THR  20  -8.571  -3.343   3.393
  134    HA   THR  20           HA       THR  20  -6.825  -5.598   3.794
  135    HB   THR  20           HB       THR  20  -8.364  -4.521   1.400
  136    HG1  THR  20           HG1      THR  20  -8.966  -6.853   2.822
  137   1HG2  THR  20          HG22      THR  20  -6.668  -6.971   1.773
  138   2HG2  THR  20          HG21      THR  20  -8.095  -7.053   0.740
  139   3HG2  THR  20          HG23      THR  20  -6.804  -5.910   0.370
  140    H    VAL  21           HN       VAL  21  -6.545  -2.535   2.170
  141    HA   VAL  21           HA       VAL  21  -4.299  -3.159   0.520
  142    HB   VAL  21           HB       VAL  21  -5.133  -0.519   1.764
  143   1HG1  VAL  21          HG11      VAL  21  -2.924  -1.060   0.264
  144   2HG1  VAL  21          HG13      VAL  21  -4.094  -0.687  -1.001
  145   3HG1  VAL  21          HG12      VAL  21  -3.752   0.497   0.259
  146   1HG2  VAL  21          HG23      VAL  21  -6.623  -2.246   0.079
  147   2HG2  VAL  21          HG22      VAL  21  -7.003  -0.579   0.509
  148   3HG2  VAL  21          HG21      VAL  21  -6.055  -0.921  -0.938
  149    H    LYS  22           HN       LYS  22  -4.740  -2.195   3.880
  150    HA   LYS  22           HA       LYS  22  -1.991  -1.536   4.404
  151   1HB   LYS  22           HB2      LYS  22  -3.430  -0.741   6.038
  152   2HB   LYS  22           HB1      LYS  22  -4.490  -2.142   5.933
  153   1HG   LYS  22           HG2      LYS  22  -3.310  -3.300   7.507
  154   2HG   LYS  22           HG1      LYS  22  -1.758  -2.692   6.933
  155   1HD   LYS  22           HD2      LYS  22  -2.736  -0.397   7.904
  156   2HD   LYS  22           HD1      LYS  22  -3.628  -1.515   8.936
  157   1HE   LYS  22           HE2      LYS  22  -1.032  -2.547   8.934
  158   2HE   LYS  22           HE1      LYS  22  -0.803  -0.791   9.037
  159   1HZ   LYS  22           HZ3      LYS  22  -2.735  -2.333  10.687
  160   2HZ   LYS  22           HZ2      LYS  22  -1.202  -1.835  11.227
  161   3HZ   LYS  22           HZ1      LYS  22  -2.381  -0.680  10.822
  162    H    LYS  23           HN       LYS  23  -3.962  -4.470   4.678
  163    HA   LYS  23           HA       LYS  23  -1.954  -6.127   5.811
  164   1HB   LYS  23           HB2      LYS  23  -4.263  -6.798   5.788
  165   2HB   LYS  23           HB1      LYS  23  -4.339  -6.644   4.032
  166   1HG   LYS  23           HG2      LYS  23  -2.203  -8.445   4.833
  167   2HG   LYS  23           HG1      LYS  23  -3.759  -8.977   5.471
  168   1HD   LYS  23           HD2      LYS  23  -4.524  -8.330   2.970
  169   2HD   LYS  23           HD1      LYS  23  -2.844  -8.761   2.648
  170   1HE   LYS  23           HE2      LYS  23  -3.136 -10.978   3.426
  171   2HE   LYS  23           HE1      LYS  23  -4.631 -10.567   4.290
  172   1HZ   LYS  23           HZ3      LYS  23  -4.330 -10.261   1.356
  173   2HZ   LYS  23           HZ2      LYS  23  -4.948 -11.674   2.070
  174   3HZ   LYS  23           HZ1      LYS  23  -5.759 -10.195   2.266
  175    H    ALA  24           HN       ALA  24  -2.734  -5.302   2.505
  176    HA   ALA  24           HA       ALA  24  -1.080  -7.108   1.109
  177   1HB   ALA  24           HB1      ALA  24  -2.875  -5.196   0.493
  178   2HB   ALA  24           HB3      ALA  24  -1.389  -4.331   0.101
  179   3HB   ALA  24           HB2      ALA  24  -1.755  -5.861  -0.696
  180    H    LEU  25           HN       LEU  25  -0.316  -3.668   1.869
  181    HA   LEU  25           HA       LEU  25   2.410  -3.810   1.015
  182   1HB   LEU  25           HB2      LEU  25   1.330  -2.065   3.237
  183   2HB   LEU  25           HB1      LEU  25   2.606  -1.680   2.084
  184    HG   LEU  25           HG       LEU  25   0.204  -2.358   0.651
  185   1HD1  LEU  25          HD13      LEU  25  -0.670  -1.557   2.978
  186   2HD1  LEU  25          HD12      LEU  25  -0.144   0.039   2.440
  187   3HD1  LEU  25          HD11      LEU  25  -1.366  -0.843   1.523
  188   1HD2  LEU  25          HD23      LEU  25   2.287  -0.317   0.769
  189   2HD2  LEU  25          HD22      LEU  25   1.354  -0.876  -0.619
  190   3HD2  LEU  25          HD21      LEU  25   0.706   0.387   0.428
  191    H    SER  26           HN       SER  26   0.854  -4.517   4.094
  192    HA   SER  26           HA       SER  26   3.196  -4.712   5.721
  193   1HB   SER  26           HB2      SER  26   0.378  -5.124   5.885
  194   2HB   SER  26           HB1      SER  26   1.149  -6.592   6.477
  195    HG   SER  26           HG       SER  26   2.002  -5.502   8.101
  196    H    LYS  27           HN       LYS  27   1.746  -6.800   3.332
  197    HA   LYS  27           HA       LYS  27   3.842  -8.829   3.937
  198   1HB   LYS  27           HB2      LYS  27   2.191 -10.517   3.255
  199   2HB   LYS  27           HB1      LYS  27   1.520  -9.506   4.536
  200   1HG   LYS  27           HG2      LYS  27  -0.229  -9.509   2.990
  201   2HG   LYS  27           HG1      LYS  27   0.643  -8.047   2.529
  202   1HD   LYS  27           HD2      LYS  27   1.179  -8.891   0.517
  203   2HD   LYS  27           HD1      LYS  27   1.750 -10.399   1.231
  204   1HE   LYS  27           HE2      LYS  27  -1.212  -9.910   1.103
  205   2HE   LYS  27           HE1      LYS  27  -0.359 -10.438  -0.362
  206   1HZ   LYS  27           HZ3      LYS  27  -0.068 -11.743   2.290
  207   2HZ   LYS  27           HZ2      LYS  27  -1.107 -12.307   1.069
  208   3HZ   LYS  27           HZ1      LYS  27   0.572 -12.279   0.814
  209    H    VAL  28           HN       VAL  28   3.382  -6.453   1.893
  210    HA   VAL  28           HA       VAL  28   3.161  -7.534  -0.717
  211    HB   VAL  28           HB       VAL  28   2.994  -5.184  -0.393
  212   1HG1  VAL  28          HG13      VAL  28   4.930  -5.555   1.578
  213   2HG1  VAL  28          HG12      VAL  28   5.747  -4.577   0.361
  214   3HG1  VAL  28          HG11      VAL  28   4.242  -4.011   1.080
  215   1HG2  VAL  28          HG22      VAL  28   4.730  -6.269  -2.256
  216   2HG2  VAL  28          HG21      VAL  28   4.131  -4.610  -2.266
  217   3HG2  VAL  28          HG23      VAL  28   5.690  -4.981  -1.529
  218    H    GLU  29           HN       GLU  29   6.291  -6.569   0.825
  219    HA   GLU  29           HA       GLU  29   7.586  -9.024  -0.086
  220   1HB   GLU  29           HB2      GLU  29   7.455  -6.585  -1.707
  221   2HB   GLU  29           HB1      GLU  29   9.110  -7.136  -1.440
  222   1HG   GLU  29           HG2      GLU  29   8.346  -9.447  -2.137
  223   2HG   GLU  29           HG1      GLU  29   6.818  -8.717  -2.625
  224    H    GLY  30           HN       GLY  30   9.152  -5.864  -0.032
  225   1HA   GLY  30           HA2      GLY  30  10.729  -6.763   2.323
  226   2HA   GLY  30           HA1      GLY  30  11.194  -5.479   1.209
  227    H    VAL  31           HN       VAL  31   7.946  -5.153   1.937
  228    HA   VAL  31           HA       VAL  31   7.944  -2.653   3.094
  229    HB   VAL  31           HB       VAL  31   5.942  -3.915   2.501
  230   1HG1  VAL  31          HG11      VAL  31   7.138  -5.979   3.891
  231   2HG1  VAL  31          HG13      VAL  31   5.836  -5.490   4.976
  232   3HG1  VAL  31          HG12      VAL  31   5.469  -5.975   3.320
  233   1HG2  VAL  31          HG23      VAL  31   6.306  -2.599   5.099
  234   2HG2  VAL  31          HG22      VAL  31   5.045  -2.362   3.888
  235   3HG2  VAL  31          HG21      VAL  31   4.912  -3.679   5.055
  236    H    SER  32           HN       SER  32   8.619  -1.770   4.938
  237    HA   SER  32           HA       SER  32   9.563  -3.567   7.130
  238   1HB   SER  32           HB2      SER  32  11.160  -2.022   5.880
  239   2HB   SER  32           HB1      SER  32  10.269  -0.671   6.575
  240    HG   SER  32           HG       SER  32  11.797  -1.018   8.052
  241    H    LYS  33           HN       LYS  33   7.199  -1.295   6.225
  242    HA   LYS  33           HA       LYS  33   5.962  -1.391   8.880
  243   1HB   LYS  33           HB2      LYS  33   7.295   0.311   9.640
  244   2HB   LYS  33           HB1      LYS  33   7.703   0.850   8.015
  245   1HG   LYS  33           HG2      LYS  33   5.717   2.130   7.819
  246   2HG   LYS  33           HG1      LYS  33   4.947   1.295   9.168
  247   1HD   LYS  33           HD2      LYS  33   6.030   2.555  10.746
  248   2HD   LYS  33           HD1      LYS  33   7.497   2.695   9.776
  249   1HE   LYS  33           HE2      LYS  33   6.780   4.611   8.737
  250   2HE   LYS  33           HE1      LYS  33   5.092   4.065   8.682
  251   1HZ   LYS  33           HZ2      LYS  33   6.189   4.443  11.339
  252   2HZ   LYS  33           HZ1      LYS  33   6.004   5.870  10.437
  253   3HZ   LYS  33           HZ3      LYS  33   4.664   4.871  10.722
  254    H    VAL  34           HN       VAL  34   3.826  -0.273   8.848
  255    HA   VAL  34           HA       VAL  34   2.876   0.667   6.200
  256    HB   VAL  34           HB       VAL  34   1.768  -1.756   7.659
  257   1HG1  VAL  34          HG12      VAL  34   0.429   0.016   6.008
  258   2HG1  VAL  34          HG11      VAL  34   0.948  -1.243   4.887
  259   3HG1  VAL  34          HG13      VAL  34  -0.035  -1.662   6.290
  260   1HG2  VAL  34          HG21      VAL  34   3.496  -1.408   5.206
  261   2HG2  VAL  34          HG23      VAL  34   3.770  -2.454   6.599
  262   3HG2  VAL  34          HG22      VAL  34   2.507  -2.849   5.434
  263    H    ASP  35           HN       ASP  35   0.900   1.842   6.356
  264    HA   ASP  35           HA       ASP  35  -0.658   1.988   8.809
  265   1HB   ASP  35           HB2      ASP  35   0.045   4.469   9.116
  266   2HB   ASP  35           HB1      ASP  35   1.187   3.239   9.658
  267    H    VAL  36           HN       VAL  36  -2.436   1.773   7.346
  268    HA   VAL  36           HA       VAL  36  -2.686   3.874   5.236
  269    HB   VAL  36           HB       VAL  36  -4.013   2.294   4.082
  270   1HG1  VAL  36          HG11      VAL  36  -1.981   0.722   5.693
  271   2HG1  VAL  36          HG13      VAL  36  -2.734   0.169   4.198
  272   3HG1  VAL  36          HG12      VAL  36  -1.673   1.577   4.182
  273   1HG2  VAL  36          HG23      VAL  36  -4.379   0.979   6.787
  274   2HG2  VAL  36          HG22      VAL  36  -5.620   1.700   5.762
  275   3HG2  VAL  36          HG21      VAL  36  -4.840   0.196   5.275
  276    H    GLY  37           HN       GLY  37  -5.437   3.558   4.859
  277   1HA   GLY  37           HA2      GLY  37  -6.735   4.387   7.390
  278   2HA   GLY  37           HA1      GLY  37  -6.794   5.503   6.020
  279    H    PHE  38           HN       PHE  38  -8.426   3.027   7.501
  280    HA   PHE  38           HA       PHE  38  -9.443   1.354   5.508
  281   1HB   PHE  38           HB2      PHE  38 -11.012   2.570   7.799
  282   2HB   PHE  38           HB1      PHE  38 -11.218   0.967   7.095
  283    HD1  PHE  38           HD1      PHE  38  -7.969   0.826   6.847
  284    HD2  PHE  38           HD2      PHE  38 -10.800   1.406  10.026
  285    HE1  PHE  38           HE1      PHE  38  -6.332  -0.084   8.471
  286    HE2  PHE  38           HE2      PHE  38  -9.162   0.494  11.648
  287    HZ   PHE  38           HZ       PHE  38  -6.929  -0.251  10.871
  288    H    GLU  39           HN       GLU  39 -12.218   2.963   6.485
  289    HA   GLU  39           HA       GLU  39 -13.391   3.538   4.103
  290   1HB   GLU  39           HB2      GLU  39 -13.315   5.303   6.572
  291   2HB   GLU  39           HB1      GLU  39 -14.553   5.383   5.318
  292   1HG   GLU  39           HG2      GLU  39 -15.609   3.523   6.075
  293   2HG   GLU  39           HG1      GLU  39 -14.091   2.669   6.354
  294    H    LYS  40           HN       LYS  40 -10.747   5.387   5.535
  295    HA   LYS  40           HA       LYS  40 -10.901   7.490   3.461
  296   1HB   LYS  40           HB2      LYS  40  -9.305   6.901   5.942
  297   2HB   LYS  40           HB1      LYS  40  -8.709   8.106   4.799
  298   1HG   LYS  40           HG2      LYS  40 -11.112   9.089   4.917
  299   2HG   LYS  40           HG1      LYS  40 -11.269   8.128   6.388
  300   1HD   LYS  40           HD2      LYS  40 -10.477  10.176   7.208
  301   2HD   LYS  40           HD1      LYS  40  -8.997   9.228   7.057
  302   1HE   LYS  40           HE2      LYS  40  -8.209  10.493   5.301
  303   2HE   LYS  40           HE1      LYS  40  -9.835  10.777   4.647
  304   1HZ   LYS  40           HZ3      LYS  40  -9.138  11.863   7.287
  305   2HZ   LYS  40           HZ2      LYS  40  -8.599  12.681   5.898
  306   3HZ   LYS  40           HZ1      LYS  40 -10.261  12.437   6.153
  307    H    ARG  41           HN       ARG  41 -10.567   5.061   2.246
  308    HA   ARG  41           HA       ARG  41  -8.523   3.588   1.617
  309   1HB   ARG  41           HB2      ARG  41  -8.872   4.010  -0.758
  310   2HB   ARG  41           HB1      ARG  41 -10.409   4.154   0.095
  311   1HG   ARG  41           HG2      ARG  41 -10.634   6.250  -0.687
  312   2HG   ARG  41           HG1      ARG  41  -9.160   6.713   0.162
  313   1HD   ARG  41           HD2      ARG  41  -7.799   6.003  -1.774
  314   2HD   ARG  41           HD1      ARG  41  -9.272   5.504  -2.627
  315    HE   ARG  41           HE       ARG  41  -9.747   8.138  -1.789
  316   1HH1  ARG  41          HH21      ARG  41  -7.458   6.440  -3.739
  317   2HH1  ARG  41          HH22      ARG  41  -7.133   7.796  -4.765
  318   1HH2  ARG  41          HH11      ARG  41  -9.333   9.911  -3.117
  319   2HH2  ARG  41          HH12      ARG  41  -8.193   9.762  -4.412
  320    H    GLU  42           HN       GLU  42  -6.618   4.431   2.751
  321    HA   GLU  42           HA       GLU  42  -4.830   5.896   0.895
  322   1HB   GLU  42           HB2      GLU  42  -5.960   7.677   2.144
  323   2HB   GLU  42           HB1      GLU  42  -5.596   6.873   3.671
  324   1HG   GLU  42           HG2      GLU  42  -3.102   7.036   2.759
  325   2HG   GLU  42           HG1      GLU  42  -3.774   8.386   1.844
  326    H    ALA  43           HN       ALA  43  -3.143   4.390   0.897
  327    HA   ALA  43           HA       ALA  43  -2.414   3.159   3.519
  328   1HB   ALA  43           HB3      ALA  43  -2.805   2.250   0.813
  329   2HB   ALA  43           HB2      ALA  43  -1.172   1.850   1.344
  330   3HB   ALA  43           HB1      ALA  43  -2.563   1.290   2.272
  331    H    VAL  44           HN       VAL  44  -0.654   4.125   4.451
  332    HA   VAL  44           HA       VAL  44   1.493   5.183   2.654
  333    HB   VAL  44           HB       VAL  44   0.546   5.793   5.457
  334   1HG1  VAL  44          HG11      VAL  44   3.241   5.721   4.744
  335   2HG1  VAL  44          HG13      VAL  44   2.796   7.410   4.517
  336   3HG1  VAL  44          HG12      VAL  44   2.556   6.639   6.083
  337   1HG2  VAL  44          HG23      VAL  44  -0.051   6.884   2.986
  338   2HG2  VAL  44          HG22      VAL  44  -0.287   7.686   4.539
  339   3HG2  VAL  44          HG21      VAL  44   1.185   7.976   3.611
  340    H    VAL  45           HN       VAL  45   3.210   3.821   2.486
  341    HA   VAL  45           HA       VAL  45   3.772   2.060   4.858
  342    HB   VAL  45           HB       VAL  45   3.473   1.486   1.920
  343   1HG1  VAL  45          HG12      VAL  45   5.056  -0.054   3.971
  344   2HG1  VAL  45          HG11      VAL  45   4.285  -0.876   2.616
  345   3HG1  VAL  45          HG13      VAL  45   5.506   0.361   2.319
  346   1HG2  VAL  45          HG23      VAL  45   1.708   1.292   3.935
  347   2HG2  VAL  45          HG22      VAL  45   1.721   0.155   2.589
  348   3HG2  VAL  45          HG21      VAL  45   2.492  -0.277   4.113
  349    H    THR  46           HN       THR  46   5.888   1.467   5.204
  350    HA   THR  46           HA       THR  46   8.029   3.042   3.792
  351    HB   THR  46           HB       THR  46   7.598   1.961   6.586
  352    HG1  THR  46           HG1      THR  46   8.364   4.111   7.050
  353   1HG2  THR  46          HG23      THR  46   9.815   1.152   5.844
  354   2HG2  THR  46          HG22      THR  46  10.260   2.802   5.407
  355   3HG2  THR  46          HG21      THR  46   9.966   2.386   7.095
  356    H    PHE  47           HN       PHE  47   9.990   1.718   3.289
  357    HA   PHE  47           HA       PHE  47   9.960  -1.130   3.815
  358   1HB   PHE  47           HB2      PHE  47   9.439  -1.862   1.544
  359   2HB   PHE  47           HB1      PHE  47   8.120  -0.865   2.159
  360    HD1  PHE  47           HD2      PHE  47  11.132  -0.861  -0.043
  361    HD2  PHE  47           HD1      PHE  47   7.582   1.241   1.175
  362    HE1  PHE  47           HE2      PHE  47  11.410   0.712  -1.933
  363    HE2  PHE  47           HE1      PHE  47   7.866   2.811  -0.721
  364    HZ   PHE  47           HZ       PHE  47   9.778   2.544  -2.272
  365    H    ASP  48           HN       ASP  48  11.487  -2.228   2.105
  366    HA   ASP  48           HA       ASP  48  13.915  -0.517   1.952
  367   1HB   ASP  48           HB2      ASP  48  13.338  -3.454   2.269
  368   2HB   ASP  48           HB1      ASP  48  14.910  -2.938   1.656
  369    H    ASP  49           HN       ASP  49  14.094   0.329  -0.081
  370    HA   ASP  49           HA       ASP  49  12.709  -0.728  -2.356
  371   1HB   ASP  49           HB2      ASP  49  13.203   1.546  -2.438
  372   2HB   ASP  49           HB1      ASP  49  14.835   1.320  -1.810
  373    H    THR  50           HN       THR  50  15.455  -1.927  -0.808
  374    HA   THR  50           HA       THR  50  17.108  -2.750  -2.996
  375    HB   THR  50           HB       THR  50  17.585  -4.625  -1.156
  376    HG1  THR  50           HG1      THR  50  16.973  -3.682   0.898
  377   1HG2  THR  50          HG21      THR  50  18.614  -2.126  -1.760
  378   2HG2  THR  50          HG23      THR  50  18.284  -2.014  -0.032
  379   3HG2  THR  50          HG22      THR  50  19.335  -3.290  -0.648
  380    H    LYS  51           HN       LYS  51  14.005  -3.847  -1.908
  381    HA   LYS  51           HA       LYS  51  14.115  -6.057  -3.904
  382   1HB   LYS  51           HB2      LYS  51  14.494  -7.138  -1.814
  383   2HB   LYS  51           HB1      LYS  51  13.281  -6.144  -1.006
  384   1HG   LYS  51           HG2      LYS  51  11.518  -7.369  -1.836
  385   2HG   LYS  51           HG1      LYS  51  12.373  -7.790  -3.320
  386   1HD   LYS  51           HD2      LYS  51  12.979  -9.765  -2.434
  387   2HD   LYS  51           HD1      LYS  51  13.786  -8.934  -1.104
  388   1HE   LYS  51           HE2      LYS  51  10.785  -9.321  -1.108
  389   2HE   LYS  51           HE1      LYS  51  11.881 -10.556  -0.458
  390   1HZ   LYS  51           HZ3      LYS  51  12.920  -8.309   0.568
  391   2HZ   LYS  51           HZ2      LYS  51  11.267  -7.915   0.564
  392   3HZ   LYS  51           HZ1      LYS  51  11.811  -9.297   1.388
  393    H    ALA  52           HN       ALA  52  12.127  -3.954  -1.905
  394    HA   ALA  52           HA       ALA  52   9.823  -4.370  -3.768
  395   1HB   ALA  52           HB2      ALA  52  10.173  -3.628  -0.881
  396   2HB   ALA  52           HB1      ALA  52   8.717  -3.097  -1.723
  397   3HB   ALA  52           HB3      ALA  52   9.087  -4.817  -1.601
  398    H    SER  53           HN       SER  53   8.427  -2.056  -3.397
  399    HA   SER  53           HA       SER  53   9.934   0.378  -3.443
  400   1HB   SER  53           HB2      SER  53  10.560  -1.157  -5.568
  401   2HB   SER  53           HB1      SER  53   9.146  -0.339  -6.227
  402    HG   SER  53           HG       SER  53  11.109   1.138  -4.864
  403    H    VAL  54           HN       VAL  54   8.581   2.208  -4.126
  404    HA   VAL  54           HA       VAL  54   5.966   2.288  -3.285
  405    HB   VAL  54           HB       VAL  54   7.235   4.247  -3.936
  406   1HG1  VAL  54          HG12      VAL  54   8.443   3.088  -5.812
  407   2HG1  VAL  54          HG11      VAL  54   6.990   3.270  -6.794
  408   3HG1  VAL  54          HG13      VAL  54   7.859   4.698  -6.233
  409   1HG2  VAL  54          HG23      VAL  54   4.567   3.726  -4.845
  410   2HG2  VAL  54          HG22      VAL  54   5.277   5.262  -4.348
  411   3HG2  VAL  54          HG21      VAL  54   5.373   4.752  -6.033
  412    H    GLN  55           HN       GLN  55   7.042   1.411  -6.582
  413    HA   GLN  55           HA       GLN  55   4.444   1.027  -7.711
  414   1HB   GLN  55           HB2      GLN  55   6.949   1.041  -8.642
  415   2HB   GLN  55           HB1      GLN  55   6.772  -0.705  -8.459
  416   1HG   GLN  55           HG2      GLN  55   5.666  -0.739 -10.417
  417   2HG   GLN  55           HG1      GLN  55   4.375   0.182  -9.646
  418   1HE2  GLN  55          HE22      GLN  55   7.175   2.235 -11.862
  419   2HE2  GLN  55          HE21      GLN  55   7.608   0.754 -11.154
  420    H    LYS  56           HN       LYS  56   6.662  -1.228  -6.059
  421    HA   LYS  56           HA       LYS  56   5.025  -3.563  -6.292
  422   1HB   LYS  56           HB2      LYS  56   6.917  -2.879  -4.035
  423   2HB   LYS  56           HB1      LYS  56   6.571  -4.470  -4.709
  424   1HG   LYS  56           HG2      LYS  56   7.416  -3.094  -6.932
  425   2HG   LYS  56           HG1      LYS  56   8.428  -2.395  -5.666
  426   1HD   LYS  56           HD2      LYS  56   9.740  -4.219  -6.014
  427   2HD   LYS  56           HD1      LYS  56   8.537  -5.056  -5.033
  428   1HE   LYS  56           HE2      LYS  56   8.739  -6.377  -7.019
  429   2HE   LYS  56           HE1      LYS  56   7.259  -5.427  -7.261
  430   1HZ   LYS  56           HZ1      LYS  56   9.835  -4.251  -8.030
  431   2HZ   LYS  56           HZ3      LYS  56   9.145  -5.411  -9.058
  432   3HZ   LYS  56           HZ2      LYS  56   8.290  -3.990  -8.688
  433    H    LEU  57           HN       LEU  57   4.885  -0.799  -4.087
  434    HA   LEU  57           HA       LEU  57   3.242  -2.119  -2.074
  435   1HB   LEU  57           HB2      LEU  57   3.477   0.826  -2.783
  436   2HB   LEU  57           HB1      LEU  57   3.005   0.150  -1.226
  437    HG   LEU  57           HG       LEU  57   5.716  -0.353  -2.491
  438   1HD1  LEU  57          HD11      LEU  57   4.807   2.086  -1.617
  439   2HD1  LEU  57          HD13      LEU  57   5.542   1.427  -0.157
  440   3HD1  LEU  57          HD12      LEU  57   6.498   1.591  -1.631
  441   1HD2  LEU  57          HD22      LEU  57   4.309  -1.225  -0.064
  442   2HD2  LEU  57          HD21      LEU  57   5.746  -1.899  -0.832
  443   3HD2  LEU  57          HD23      LEU  57   5.895  -0.527   0.265
  444    H    THR  58           HN       THR  58   2.600   0.168  -4.725
  445    HA   THR  58           HA       THR  58  -0.264   0.108  -4.560
  446    HB   THR  58           HB       THR  58   1.586   0.579  -6.922
  447    HG1  THR  58           HG1      THR  58   1.873   2.553  -6.153
  448   1HG2  THR  58          HG23      THR  58  -1.061   0.342  -7.083
  449   2HG2  THR  58          HG22      THR  58  -1.004   2.008  -6.508
  450   3HG2  THR  58          HG21      THR  58  -0.195   1.565  -8.012
  451    H    LYS  59           HN       LYS  59   2.124  -2.096  -5.706
  452    HA   LYS  59           HA       LYS  59   0.393  -3.547  -7.565
  453   1HB   LYS  59           HB2      LYS  59   2.999  -3.284  -7.462
  454   2HB   LYS  59           HB1      LYS  59   2.915  -4.565  -6.252
  455   1HG   LYS  59           HG2      LYS  59   1.843  -6.065  -7.820
  456   2HG   LYS  59           HG1      LYS  59   1.692  -4.777  -9.016
  457   1HD   LYS  59           HD2      LYS  59   3.685  -5.440  -9.836
  458   2HD   LYS  59           HD1      LYS  59   4.413  -4.805  -8.360
  459   1HE   LYS  59           HE2      LYS  59   4.996  -6.907  -7.761
  460   2HE   LYS  59           HE1      LYS  59   3.284  -7.375  -7.761
  461   1HZ   LYS  59           HZ3      LYS  59   4.690  -7.031 -10.320
  462   2HZ   LYS  59           HZ2      LYS  59   4.911  -8.472  -9.447
  463   3HZ   LYS  59           HZ1      LYS  59   3.355  -8.013  -9.954
  464    H    ALA  60           HN       ALA  60   1.280  -3.643  -4.160
  465    HA   ALA  60           HA       ALA  60   0.261  -6.302  -3.623
  466   1HB   ALA  60           HB2      ALA  60   1.677  -4.311  -2.301
  467   2HB   ALA  60           HB1      ALA  60   0.128  -4.314  -1.459
  468   3HB   ALA  60           HB3      ALA  60   1.083  -5.794  -1.554
  469    H    THR  61           HN       THR  61  -1.142  -3.018  -3.368
  470    HA   THR  61           HA       THR  61  -3.760  -4.020  -2.481
  471    HB   THR  61           HB       THR  61  -2.809  -1.743  -2.048
  472    HG1  THR  61           HG1      THR  61  -4.769  -0.632  -2.749
  473   1HG2  THR  61          HG21      THR  61  -1.794  -1.578  -4.374
  474   2HG2  THR  61          HG23      THR  61  -3.415  -1.200  -4.958
  475   3HG2  THR  61          HG22      THR  61  -2.620  -0.127  -3.805
  476    H    ALA  62           HN       ALA  62  -2.193  -3.088  -5.497
  477    HA   ALA  62           HA       ALA  62  -4.444  -3.233  -7.234
  478   1HB   ALA  62           HB3      ALA  62  -1.463  -3.646  -7.494
  479   2HB   ALA  62           HB2      ALA  62  -2.521  -3.836  -8.891
  480   3HB   ALA  62           HB1      ALA  62  -2.429  -2.283  -8.060
  481    H    ASP  63           HN       ASP  63  -2.401  -5.646  -5.707
  482    HA   ASP  63           HA       ASP  63  -3.548  -7.837  -7.322
  483   1HB   ASP  63           HB2      ASP  63  -1.154  -7.762  -6.626
  484   2HB   ASP  63           HB1      ASP  63  -1.665  -7.804  -4.938
  485    H    ALA  64           HN       ALA  64  -4.133  -6.157  -4.345
  486    HA   ALA  64           HA       ALA  64  -5.583  -8.315  -3.019
  487   1HB   ALA  64           HB1      ALA  64  -4.444  -6.270  -1.983
  488   2HB   ALA  64           HB3      ALA  64  -5.787  -5.316  -2.614
  489   3HB   ALA  64           HB2      ALA  64  -6.086  -6.579  -1.420
  490    H    GLY  65           HN       GLY  65  -6.175  -6.150  -5.588
  491   1HA   GLY  65           HA2      GLY  65  -8.158  -6.414  -6.987
  492   2HA   GLY  65           HA1      GLY  65  -9.056  -6.880  -5.543
  493    H    TYR  66           HN       TYR  66  -6.782  -4.213  -5.728
  494    HA   TYR  66           HA       TYR  66  -9.075  -2.294  -5.574
  495   1HB   TYR  66           HB2      TYR  66  -6.674  -2.551  -3.735
  496   2HB   TYR  66           HB1      TYR  66  -7.837  -1.229  -3.676
  497    HD1  TYR  66           HD1      TYR  66 -10.357  -2.672  -4.262
  498    HD2  TYR  66           HD2      TYR  66  -7.070  -3.735  -1.692
  499    HE1  TYR  66           HE1      TYR  66 -11.885  -4.047  -2.874
  500    HE2  TYR  66           HE2      TYR  66  -8.605  -5.114  -0.320
  501    HH   TYR  66           HH       TYR  66 -12.088  -5.293  -1.051
  502    HA   PRO  67           HA       PRO  67  -6.129  -0.786  -8.760
  503   1HB   PRO  67           HB2      PRO  67  -8.239   1.106  -9.361
  504   2HB   PRO  67           HB1      PRO  67  -7.659  -0.234 -10.355
  505   1HG   PRO  67           HG2      PRO  67 -10.127  -0.062  -8.897
  506   2HG   PRO  67           HG1      PRO  67  -9.546  -1.397  -9.897
  507   1HD   PRO  67           HD2      PRO  67  -9.797  -1.347  -7.041
  508   2HD   PRO  67           HD1      PRO  67  -9.095  -2.644  -8.039
  509    H    SER  68           HN       SER  68  -4.724   0.229  -7.232
  510    HA   SER  68           HA       SER  68  -5.713   2.758  -5.976
  511   1HB   SER  68           HB2      SER  68  -3.172   1.285  -5.320
  512   2HB   SER  68           HB1      SER  68  -4.160   2.295  -4.270
  513    HG   SER  68           HG       SER  68  -5.497   0.669  -3.947
  514    H    SER  69           HN       SER  69  -3.658   4.247  -5.525
  515    HA   SER  69           HA       SER  69  -1.844   4.467  -7.860
  516   1HB   SER  69           HB2      SER  69  -4.228   6.122  -7.271
  517   2HB   SER  69           HB1      SER  69  -2.764   7.052  -7.575
  518    HG   SER  69           HG       SER  69  -4.332   5.684  -9.298
  519    H    VAL  70           HN       VAL  70   0.151   5.205  -7.048
  520    HA   VAL  70           HA       VAL  70   0.166   5.954  -4.188
  521    HB   VAL  70           HB       VAL  70   1.484   4.070  -4.961
  522   1HG1  VAL  70          HG13      VAL  70   2.267   6.039  -7.044
  523   2HG1  VAL  70          HG12      VAL  70   3.545   4.962  -6.481
  524   3HG1  VAL  70          HG11      VAL  70   2.065   4.292  -7.168
  525   1HG2  VAL  70          HG21      VAL  70   2.409   6.080  -3.377
  526   2HG2  VAL  70          HG23      VAL  70   3.321   4.605  -3.692
  527   3HG2  VAL  70          HG22      VAL  70   3.653   6.068  -4.621
  528    H    LYS  71           HN       LYS  71   1.509   7.719  -3.461
  529    HA   LYS  71           HA       LYS  71   2.374   9.655  -5.525
  530   1HB   LYS  71           HB2      LYS  71   0.888  11.417  -4.442
  531   2HB   LYS  71           HB1      LYS  71   0.025  10.156  -5.324
  532   1HG   LYS  71           HG2      LYS  71   0.235   9.032  -2.833
  533   2HG   LYS  71           HG1      LYS  71   0.052  10.740  -2.436
  534   1HD   LYS  71           HD2      LYS  71  -1.753   9.784  -4.562
  535   2HD   LYS  71           HD1      LYS  71  -2.031   9.048  -2.983
  536   1HE   LYS  71           HE2      LYS  71  -1.727  12.045  -3.299
  537   2HE   LYS  71           HE1      LYS  71  -3.302  11.237  -3.432
  538   1HZ   LYS  71           HZ2      LYS  71  -1.445  10.746  -1.176
  539   2HZ   LYS  71           HZ1      LYS  71  -2.632  11.959  -1.120
  540   3HZ   LYS  71           HZ3      LYS  71  -3.090  10.334  -1.285
  541    H    GLN  72           HN       GLN  72   4.033   8.363  -3.766
  542    HA   GLN  72           HA       GLN  72   4.566   9.220  -1.209
  543   1HB   GLN  72           HB2      GLN  72   6.850   8.697  -1.707
  544   2HB   GLN  72           HB1      GLN  72   5.884   7.702  -2.797
  545   1HG   GLN  72           HG2      GLN  72   7.407   8.599  -4.299
  546   2HG   GLN  72           HG1      GLN  72   6.119   9.802  -4.395
  547   1HE2  GLN  72          HE22      GLN  72   8.784  12.100  -3.768
  548   2HE2  GLN  72          HE21      GLN  72   7.801  11.433  -4.980
   
  No H/Q in entry =         548
  Start of MODEL    7
    1   1H    ALA   1           HT2      ALA   1  17.661   2.426   0.369
    2   2H    ALA   1           HT1      ALA   1  18.542   1.166   1.093
    3   3H    ALA   1           HT3      ALA   1  18.801   1.553  -0.539
    4    HA   ALA   1           HA       ALA   1  16.576   0.817  -1.118
    5   1HB   ALA   1           HB3      ALA   1  18.797  -0.685  -0.104
    6   2HB   ALA   1           HB2      ALA   1  17.312  -1.548   0.299
    7   3HB   ALA   1           HB1      ALA   1  17.668  -1.140  -1.380
    8    H    THR   2           HN       THR   2  15.649   2.357   0.899
    9    HA   THR   2           HA       THR   2  13.787   0.624   2.330
   10    HB   THR   2           HB       THR   2  14.650   2.384   4.270
   11    HG1  THR   2           HG1      THR   2  16.485   3.000   3.310
   12   1HG2  THR   2          HG23      THR   2  15.455  -0.469   3.704
   13   2HG2  THR   2          HG22      THR   2  15.786   0.348   5.231
   14   3HG2  THR   2          HG21      THR   2  14.120   0.083   4.716
   15    H    GLN   3           HN       GLN   3  12.244   1.762   0.994
   16    HA   GLN   3           HA       GLN   3  12.079   4.715   1.477
   17   1HB   GLN   3           HB2      GLN   3  10.723   3.214  -0.754
   18   2HB   GLN   3           HB1      GLN   3  11.233   4.899  -0.712
   19   1HG   GLN   3           HG2      GLN   3  13.119   2.522  -0.725
   20   2HG   GLN   3           HG1      GLN   3  12.722   3.503  -2.137
   21   1HE2  GLN   3          HE22      GLN   3  14.892   6.142  -1.240
   22   2HE2  GLN   3          HE21      GLN   3  13.741   5.563  -2.346
   23    H    THR   4           HN       THR   4  10.018   5.648   1.822
   24    HA   THR   4           HA       THR   4   7.816   3.763   2.584
   25    HB   THR   4           HB       THR   4   8.904   6.204   4.035
   26    HG1  THR   4           HG1      THR   4  10.035   4.733   4.975
   27   1HG2  THR   4          HG21      THR   4   6.474   4.482   4.570
   28   2HG2  THR   4          HG23      THR   4   7.190   5.546   5.779
   29   3HG2  THR   4          HG22      THR   4   6.517   6.223   4.296
   30    H    VAL   5           HN       VAL   5   5.902   4.361   1.574
   31    HA   VAL   5           HA       VAL   5   5.638   7.213   0.657
   32    HB   VAL   5           HB       VAL   5   4.669   6.229  -1.437
   33   1HG1  VAL   5          HG12      VAL   5   7.212   6.774  -0.931
   34   2HG1  VAL   5          HG11      VAL   5   7.394   5.026  -1.088
   35   3HG1  VAL   5          HG13      VAL   5   6.754   5.970  -2.433
   36   1HG2  VAL   5          HG23      VAL   5   4.133   4.021  -0.249
   37   2HG2  VAL   5          HG22      VAL   5   4.828   3.885  -1.864
   38   3HG2  VAL   5          HG21      VAL   5   5.840   3.622  -0.443
   39    H    THR   6           HN       THR   6   3.303   7.639   0.036
   40    HA   THR   6           HA       THR   6   1.479   6.310   1.984
   41    HB   THR   6           HB       THR   6   0.205   8.537   1.182
   42    HG1  THR   6           HG1      THR   6   2.730   9.607   1.095
   43   1HG2  THR   6          HG21      THR   6   2.241   7.986   3.247
   44   2HG2  THR   6          HG23      THR   6   1.925   9.694   2.943
   45   3HG2  THR   6          HG22      THR   6   0.606   8.626   3.421
   46    H    LEU   7           HN       LEU   7  -0.712   5.844   1.066
   47    HA   LEU   7           HA       LEU   7  -0.639   5.609  -1.914
   48   1HB   LEU   7           HB2      LEU   7  -0.367   3.574   0.073
   49   2HB   LEU   7           HB1      LEU   7  -1.909   3.322  -0.744
   50    HG   LEU   7           HG       LEU   7  -0.803   3.347  -2.906
   51   1HD1  LEU   7          HD11      LEU   7   1.645   3.995  -1.271
   52   2HD1  LEU   7          HD13      LEU   7   1.746   3.369  -2.917
   53   3HD1  LEU   7          HD12      LEU   7   0.955   4.909  -2.606
   54   1HD2  LEU   7          HD23      LEU   7  -0.756   1.248  -1.333
   55   2HD2  LEU   7          HD22      LEU   7   0.253   1.239  -2.779
   56   3HD2  LEU   7          HD21      LEU   7   0.968   1.595  -1.207
   57    H    ALA   8           HN       ALA   8  -2.690   5.489  -2.912
   58    HA   ALA   8           HA       ALA   8  -5.042   6.203  -1.184
   59   1HB   ALA   8           HB1      ALA   8  -3.655   7.676  -3.277
   60   2HB   ALA   8           HB3      ALA   8  -5.350   7.433  -3.696
   61   3HB   ALA   8           HB2      ALA   8  -4.922   8.234  -2.185
   62    H    VAL   9           HN       VAL   9  -6.305   4.359  -1.377
   63    HA   VAL   9           HA       VAL   9  -6.553   3.125  -4.098
   64    HB   VAL   9           HB       VAL   9  -5.551   1.806  -2.229
   65   1HG1  VAL   9          HG13      VAL   9  -7.384   3.022  -0.644
   66   2HG1  VAL   9          HG12      VAL   9  -8.200   1.486  -0.932
   67   3HG1  VAL   9          HG11      VAL   9  -6.590   1.508  -0.214
   68   1HG2  VAL   9          HG22      VAL   9  -7.954   1.061  -3.766
   69   2HG2  VAL   9          HG21      VAL   9  -6.407   0.227  -3.621
   70   3HG2  VAL   9          HG23      VAL   9  -7.635   0.029  -2.371
   71    HA   PRO  10           HA       PRO  10 -10.694   5.013  -3.234
   72   1HB   PRO  10           HB2      PRO  10 -10.975   5.601  -5.980
   73   2HB   PRO  10           HB1      PRO  10 -10.514   6.733  -4.704
   74   1HG   PRO  10           HG2      PRO  10  -8.863   5.609  -6.821
   75   2HG   PRO  10           HG1      PRO  10  -8.482   6.912  -5.690
   76   1HD   PRO  10           HD2      PRO  10  -7.477   4.221  -5.652
   77   2HD   PRO  10           HD1      PRO  10  -7.169   5.512  -4.465
   78    H    GLY  11           HN       GLY  11  -9.448   2.396  -5.020
   79   1HA   GLY  11           HA2      GLY  11 -11.520   1.444  -6.607
   80   2HA   GLY  11           HA1      GLY  11 -10.492   0.379  -5.645
   81    H    MET  12           HN       MET  12 -11.245   1.309  -3.076
   82    HA   MET  12           HA       MET  12 -14.176   1.040  -2.856
   83   1HB   MET  12           HB2      MET  12 -12.167  -1.074  -2.052
   84   2HB   MET  12           HB1      MET  12 -13.795  -1.024  -1.378
   85   1HG   MET  12           HG2      MET  12 -13.071  -1.292  -4.311
   86   2HG   MET  12           HG1      MET  12 -13.751  -2.550  -3.284
   87   1HE   MET  12           HE3      MET  12 -15.723  -2.545  -2.141
   88   2HE   MET  12           HE2      MET  12 -16.187  -0.937  -1.590
   89   3HE   MET  12           HE1      MET  12 -17.254  -1.832  -2.667
   90    H    THR  13           HN       THR  13 -14.816   2.179  -1.060
   91    HA   THR  13           HA       THR  13 -12.835   2.612   1.145
   92    HB   THR  13           HB       THR  13 -12.714   4.666   0.059
   93    HG1  THR  13           HG1      THR  13 -15.139   5.309   1.257
   94   1HG2  THR  13          HG22      THR  13 -15.610   4.249  -0.736
   95   2HG2  THR  13          HG21      THR  13 -14.681   5.701  -1.108
   96   3HG2  THR  13          HG23      THR  13 -14.200   4.147  -1.791
   97    H    CYS  14           HN       CYS  14 -13.993   1.117   2.550
   98    HA   CYS  14           HA       CYS  14 -16.528   2.279   3.602
   99   1HB   CYS  14           HB2      CYS  14 -16.607  -0.657   3.144
  100   2HB   CYS  14           HB1      CYS  14 -17.894   0.530   3.003
  101    H    ALA  15           HN       ALA  15 -14.948  -0.900   3.929
  102    HA   ALA  15           HA       ALA  15 -13.651  -0.383   6.433
  103   1HB   ALA  15           HB1      ALA  15 -16.544  -0.812   6.414
  104   2HB   ALA  15           HB3      ALA  15 -15.710  -1.986   7.432
  105   3HB   ALA  15           HB2      ALA  15 -15.511  -0.259   7.732
  106    H    ALA  16           HN       ALA  16 -12.870  -1.793   4.190
  107    HA   ALA  16           HA       ALA  16 -12.097  -4.343   5.226
  108   1HB   ALA  16           HB2      ALA  16 -14.753  -4.143   4.232
  109   2HB   ALA  16           HB1      ALA  16 -13.839  -5.090   3.058
  110   3HB   ALA  16           HB3      ALA  16 -13.907  -5.603   4.744
  111    H    CYS  17           HN       CYS  17 -12.998  -2.734   2.137
  112    HA   CYS  17           HA       CYS  17 -10.924  -4.080   0.622
  113   1HB   CYS  17           HB2      CYS  17 -12.178  -1.452  -0.154
  114   2HB   CYS  17           HB1      CYS  17 -11.695  -2.786  -1.185
  115    HA   PRO  18           HA       PRO  18  -8.592   0.178   1.032
  116   1HB   PRO  18           HB2      PRO  18  -9.306   1.251   3.588
  117   2HB   PRO  18           HB1      PRO  18  -9.588   1.980   2.005
  118   1HG   PRO  18           HG2      PRO  18 -11.512   0.730   3.792
  119   2HG   PRO  18           HG1      PRO  18 -11.808   1.650   2.316
  120   1HD   PRO  18           HD2      PRO  18 -12.131  -1.139   2.648
  121   2HD   PRO  18           HD1      PRO  18 -12.152  -0.252   1.109
  122    H    ILE  19           HN       ILE  19  -9.703  -1.451   3.980
  123    HA   ILE  19           HA       ILE  19  -7.180  -1.622   5.340
  124    HB   ILE  19           HB       ILE  19  -9.634  -3.413   5.348
  125   1HG1  ILE  19          HG12      ILE  19  -8.919  -1.082   7.152
  126   2HG1  ILE  19          HG11      ILE  19 -10.017  -0.961   5.776
  127   1HG2  ILE  19          HG22      ILE  19  -7.336  -4.120   6.475
  128   2HG2  ILE  19          HG21      ILE  19  -7.865  -2.991   7.723
  129   3HG2  ILE  19          HG23      ILE  19  -8.871  -4.378   7.307
  130   1HD1  ILE  19          HD11      ILE  19 -10.830  -3.219   7.301
  131   2HD1  ILE  19          HD13      ILE  19 -10.587  -1.887   8.430
  132   3HD1  ILE  19          HD12      ILE  19 -11.696  -1.701   7.072
  133    H    THR  20           HN       THR  20  -8.615  -3.532   2.737
  134    HA   THR  20           HA       THR  20  -6.900  -5.840   2.936
  135    HB   THR  20           HB       THR  20  -8.227  -4.591   0.495
  136    HG1  THR  20           HG1      THR  20  -9.802  -6.354   1.211
  137   1HG2  THR  20          HG23      THR  20  -7.174  -7.339   1.174
  138   2HG2  THR  20          HG22      THR  20  -8.360  -7.090  -0.108
  139   3HG2  THR  20          HG21      THR  20  -6.774  -6.325  -0.212
  140    H    VAL  21           HN       VAL  21  -6.563  -2.613   1.749
  141    HA   VAL  21           HA       VAL  21  -4.311  -3.017   0.011
  142    HB   VAL  21           HB       VAL  21  -5.149  -0.584   1.627
  143   1HG1  VAL  21          HG13      VAL  21  -2.986  -1.030  -0.122
  144   2HG1  VAL  21          HG12      VAL  21  -4.168  -0.112  -1.055
  145   3HG1  VAL  21          HG11      VAL  21  -3.565   0.526   0.474
  146   1HG2  VAL  21          HG21      VAL  21  -6.436  -1.996  -0.595
  147   2HG2  VAL  21          HG23      VAL  21  -7.082  -0.737   0.456
  148   3HG2  VAL  21          HG22      VAL  21  -6.123  -0.299  -0.958
  149    H    LYS  22           HN       LYS  22  -4.821  -2.639   3.447
  150    HA   LYS  22           HA       LYS  22  -2.141  -2.031   4.253
  151   1HB   LYS  22           HB2      LYS  22  -4.374  -1.998   5.574
  152   2HB   LYS  22           HB1      LYS  22  -4.145  -3.732   5.753
  153   1HG   LYS  22           HG2      LYS  22  -1.870  -3.274   6.717
  154   2HG   LYS  22           HG1      LYS  22  -2.261  -1.555   6.701
  155   1HD   LYS  22           HD2      LYS  22  -3.935  -1.791   8.326
  156   2HD   LYS  22           HD1      LYS  22  -4.119  -3.518   8.023
  157   1HE   LYS  22           HE2      LYS  22  -2.302  -4.077   9.341
  158   2HE   LYS  22           HE1      LYS  22  -1.454  -2.556   8.996
  159   1HZ   LYS  22           HZ3      LYS  22  -3.583  -1.577  10.164
  160   2HZ   LYS  22           HZ2      LYS  22  -3.592  -3.096  10.924
  161   3HZ   LYS  22           HZ1      LYS  22  -2.239  -2.079  11.068
  162    H    LYS  23           HN       LYS  23  -4.011  -5.011   3.856
  163    HA   LYS  23           HA       LYS  23  -1.815  -6.759   4.491
  164   1HB   LYS  23           HB2      LYS  23  -4.335  -7.221   2.873
  165   2HB   LYS  23           HB1      LYS  23  -3.341  -8.484   3.599
  166   1HG   LYS  23           HG2      LYS  23  -5.072  -6.430   4.971
  167   2HG   LYS  23           HG1      LYS  23  -5.074  -8.182   5.170
  168   1HD   LYS  23           HD2      LYS  23  -2.617  -7.829   6.010
  169   2HD   LYS  23           HD1      LYS  23  -3.132  -6.161   6.260
  170   1HE   LYS  23           HE2      LYS  23  -5.226  -7.417   7.412
  171   2HE   LYS  23           HE1      LYS  23  -3.962  -8.627   7.711
  172   1HZ   LYS  23           HZ3      LYS  23  -2.552  -6.573   8.328
  173   2HZ   LYS  23           HZ2      LYS  23  -4.049  -5.798   8.537
  174   3HZ   LYS  23           HZ1      LYS  23  -3.663  -7.170   9.462
  175    H    ALA  24           HN       ALA  24  -2.747  -5.006   1.700
  176    HA   ALA  24           HA       ALA  24  -1.426  -6.599  -0.295
  177   1HB   ALA  24           HB1      ALA  24  -3.287  -4.782  -0.444
  178   2HB   ALA  24           HB3      ALA  24  -1.946  -3.637  -0.448
  179   3HB   ALA  24           HB2      ALA  24  -2.080  -4.842  -1.729
  180    H    LEU  25           HN       LEU  25  -0.498  -3.745   1.629
  181    HA   LEU  25           HA       LEU  25   2.117  -3.489   0.344
  182   1HB   LEU  25           HB2      LEU  25   1.280  -2.391   3.033
  183   2HB   LEU  25           HB1      LEU  25   2.391  -1.682   1.865
  184    HG   LEU  25           HG       LEU  25  -0.209  -2.071   0.658
  185   1HD1  LEU  25          HD12      LEU  25  -0.677  -1.809   3.217
  186   2HD1  LEU  25          HD11      LEU  25  -0.234  -0.125   2.948
  187   3HD1  LEU  25          HD13      LEU  25  -1.597  -0.827   2.077
  188   1HD2  LEU  25          HD21      LEU  25   1.807  -0.461   0.168
  189   2HD2  LEU  25          HD23      LEU  25   0.163   0.125  -0.084
  190   3HD2  LEU  25          HD22      LEU  25   1.045   0.571   1.378
  191    H    SER  26           HN       SER  26   0.805  -4.975   3.263
  192    HA   SER  26           HA       SER  26   3.357  -5.618   4.465
  193   1HB   SER  26           HB2      SER  26   1.131  -5.440   5.620
  194   2HB   SER  26           HB1      SER  26   0.621  -6.904   4.782
  195    HG   SER  26           HG       SER  26   2.742  -6.588   6.643
  196    H    LYS  27           HN       LYS  27   1.389  -6.985   1.950
  197    HA   LYS  27           HA       LYS  27   3.051  -9.460   1.978
  198   1HB   LYS  27           HB2      LYS  27   0.282  -8.754   1.045
  199   2HB   LYS  27           HB1      LYS  27   1.101 -10.163   0.372
  200   1HG   LYS  27           HG2      LYS  27  -0.315 -10.714   2.360
  201   2HG   LYS  27           HG1      LYS  27   1.388 -11.116   2.591
  202   1HD   LYS  27           HD2      LYS  27   1.737  -9.393   4.097
  203   2HD   LYS  27           HD1      LYS  27   0.455  -8.395   3.408
  204   1HE   LYS  27           HE2      LYS  27  -0.598  -9.094   5.366
  205   2HE   LYS  27           HE1      LYS  27  -1.075 -10.418   4.284
  206   1HZ   LYS  27           HZ2      LYS  27   1.180 -11.417   4.949
  207   2HZ   LYS  27           HZ1      LYS  27   1.104 -10.357   6.274
  208   3HZ   LYS  27           HZ3      LYS  27  -0.103 -11.528   6.057
  209    H    VAL  28           HN       VAL  28   2.911  -6.496   0.495
  210    HA   VAL  28           HA       VAL  28   3.065  -6.887  -2.265
  211    HB   VAL  28           HB       VAL  28   3.183  -4.726  -1.050
  212   1HG1  VAL  28          HG13      VAL  28   4.861  -5.703   0.648
  213   2HG1  VAL  28          HG12      VAL  28   6.097  -5.335  -0.555
  214   3HG1  VAL  28          HG11      VAL  28   5.117  -4.038   0.128
  215   1HG2  VAL  28          HG23      VAL  28   4.236  -5.258  -3.445
  216   2HG2  VAL  28          HG22      VAL  28   4.402  -3.666  -2.706
  217   3HG2  VAL  28          HG21      VAL  28   5.730  -4.823  -2.615
  218    H    GLU  29           HN       GLU  29   5.699  -7.302   0.121
  219    HA   GLU  29           HA       GLU  29   6.951  -9.533  -0.904
  220   1HB   GLU  29           HB2      GLU  29   7.163  -7.256  -2.689
  221   2HB   GLU  29           HB1      GLU  29   8.762  -7.811  -2.188
  222   1HG   GLU  29           HG2      GLU  29   8.085 -10.139  -2.749
  223   2HG   GLU  29           HG1      GLU  29   6.564  -9.512  -3.380
  224    H    GLY  30           HN       GLY  30   8.824  -6.534  -0.830
  225   1HA   GLY  30           HA2      GLY  30  10.292  -7.587   1.513
  226   2HA   GLY  30           HA1      GLY  30  10.817  -6.267   0.473
  227    H    VAL  31           HN       VAL  31   7.582  -5.837   1.278
  228    HA   VAL  31           HA       VAL  31   7.758  -3.408   2.586
  229    HB   VAL  31           HB       VAL  31   5.658  -4.438   1.968
  230   1HG1  VAL  31          HG11      VAL  31   6.721  -6.611   3.650
  231   2HG1  VAL  31          HG13      VAL  31   5.005  -6.283   3.889
  232   3HG1  VAL  31          HG12      VAL  31   5.610  -6.690   2.283
  233   1HG2  VAL  31          HG23      VAL  31   5.883  -4.081   4.971
  234   2HG2  VAL  31          HG22      VAL  31   5.556  -2.807   3.796
  235   3HG2  VAL  31          HG21      VAL  31   4.369  -4.083   4.067
  236    H    SER  32           HN       SER  32   8.440  -2.694   4.496
  237    HA   SER  32           HA       SER  32   9.364  -4.685   6.527
  238   1HB   SER  32           HB2      SER  32  10.794  -2.808   5.231
  239   2HB   SER  32           HB1      SER  32  10.184  -1.811   6.549
  240    HG   SER  32           HG       SER  32  11.850  -2.678   7.535
  241    H    LYS  33           HN       LYS  33   7.112  -2.238   5.822
  242    HA   LYS  33           HA       LYS  33   5.878  -2.477   8.475
  243   1HB   LYS  33           HB2      LYS  33   7.169  -0.782   9.302
  244   2HB   LYS  33           HB1      LYS  33   7.678  -0.273   7.699
  245   1HG   LYS  33           HG2      LYS  33   5.424   0.816   7.405
  246   2HG   LYS  33           HG1      LYS  33   5.075   0.427   9.090
  247   1HD   LYS  33           HD2      LYS  33   7.241   1.653   9.677
  248   2HD   LYS  33           HD1      LYS  33   7.234   2.254   8.018
  249   1HE   LYS  33           HE2      LYS  33   5.980   3.957   8.913
  250   2HE   LYS  33           HE1      LYS  33   4.650   2.786   8.792
  251   1HZ   LYS  33           HZ2      LYS  33   6.501   2.929  11.108
  252   2HZ   LYS  33           HZ1      LYS  33   4.997   3.720  11.070
  253   3HZ   LYS  33           HZ3      LYS  33   5.066   2.027  10.986
  254    H    VAL  34           HN       VAL  34   3.715  -1.415   8.453
  255    HA   VAL  34           HA       VAL  34   2.815  -0.411   5.805
  256    HB   VAL  34           HB       VAL  34   2.705  -2.911   5.830
  257   1HG1  VAL  34          HG11      VAL  34   2.187  -2.900   8.367
  258   2HG1  VAL  34          HG13      VAL  34   0.516  -2.605   7.886
  259   3HG1  VAL  34          HG12      VAL  34   1.337  -4.077   7.366
  260   1HG2  VAL  34          HG21      VAL  34   1.050  -1.380   4.605
  261   2HG2  VAL  34          HG23      VAL  34   0.511  -3.033   4.900
  262   3HG2  VAL  34          HG22      VAL  34  -0.074  -1.719   5.921
  263    H    ASP  35           HN       ASP  35   0.605   0.449   5.904
  264    HA   ASP  35           HA       ASP  35  -0.661   0.840   8.532
  265   1HB   ASP  35           HB2      ASP  35   1.333   2.569   7.755
  266   2HB   ASP  35           HB1      ASP  35  -0.095   3.367   7.094
  267    H    VAL  36           HN       VAL  36  -2.889   1.594   8.186
  268    HA   VAL  36           HA       VAL  36  -3.665   2.159   5.394
  269    HB   VAL  36           HB       VAL  36  -3.463  -0.378   5.946
  270   1HG1  VAL  36          HG12      VAL  36  -4.793  -0.125   8.084
  271   2HG1  VAL  36          HG11      VAL  36  -6.212   0.190   7.087
  272   3HG1  VAL  36          HG13      VAL  36  -5.397  -1.371   6.993
  273   1HG2  VAL  36          HG21      VAL  36  -5.866   0.940   4.667
  274   2HG2  VAL  36          HG23      VAL  36  -4.409   0.349   3.869
  275   3HG2  VAL  36          HG22      VAL  36  -5.559  -0.793   4.563
  276    H    GLY  37           HN       GLY  37  -5.908   2.734   5.179
  277   1HA   GLY  37           HA2      GLY  37  -7.299   3.400   7.717
  278   2HA   GLY  37           HA1      GLY  37  -7.053   4.672   6.513
  279    H    PHE  38           HN       PHE  38  -9.137   2.220   7.501
  280    HA   PHE  38           HA       PHE  38 -10.259   1.176   5.143
  281   1HB   PHE  38           HB2      PHE  38 -12.143   0.701   6.554
  282   2HB   PHE  38           HB1      PHE  38 -10.729   0.659   7.604
  283    HD1  PHE  38           HD2      PHE  38 -10.159   2.716   8.980
  284    HD2  PHE  38           HD1      PHE  38 -13.897   2.260   6.915
  285    HE1  PHE  38           HE2      PHE  38 -11.160   4.483  10.403
  286    HE2  PHE  38           HE1      PHE  38 -14.900   4.024   8.341
  287    HZ   PHE  38           HZ       PHE  38 -13.531   5.136  10.084
  288    H    GLU  39           HN       GLU  39 -12.976   2.171   5.270
  289    HA   GLU  39           HA       GLU  39 -13.889   3.713   3.544
  290   1HB   GLU  39           HB2      GLU  39 -14.927   3.795   5.734
  291   2HB   GLU  39           HB1      GLU  39 -13.680   4.895   6.322
  292   1HG   GLU  39           HG2      GLU  39 -14.398   6.621   4.762
  293   2HG   GLU  39           HG1      GLU  39 -15.566   5.519   4.033
  294    H    LYS  40           HN       LYS  40 -11.892   5.831   5.695
  295    HA   LYS  40           HA       LYS  40 -11.551   8.044   4.110
  296   1HB   LYS  40           HB2      LYS  40 -10.055   6.609   6.152
  297   2HB   LYS  40           HB1      LYS  40  -8.979   7.503   5.076
  298   1HG   LYS  40           HG2      LYS  40 -11.047   9.294   5.508
  299   2HG   LYS  40           HG1      LYS  40 -10.868   8.512   7.079
  300   1HD   LYS  40           HD2      LYS  40  -8.286   9.139   5.872
  301   2HD   LYS  40           HD1      LYS  40  -9.281  10.578   6.093
  302   1HE   LYS  40           HE2      LYS  40  -9.132  10.474   8.371
  303   2HE   LYS  40           HE1      LYS  40  -9.292   8.706   8.390
  304   1HZ   LYS  40           HZ1      LYS  40  -6.878  10.201   7.511
  305   2HZ   LYS  40           HZ3      LYS  40  -7.042   9.408   9.001
  306   3HZ   LYS  40           HZ2      LYS  40  -7.042   8.511   7.557
  307    H    ARG  41           HN       ARG  41 -10.216   4.878   3.378
  308    HA   ARG  41           HA       ARG  41  -9.123   4.047   1.490
  309   1HB   ARG  41           HB2      ARG  41 -10.966   5.363   0.449
  310   2HB   ARG  41           HB1      ARG  41  -9.891   6.759   0.387
  311   1HG   ARG  41           HG2      ARG  41  -8.541   4.477  -0.722
  312   2HG   ARG  41           HG1      ARG  41 -10.107   4.664  -1.509
  313   1HD   ARG  41           HD2      ARG  41  -7.961   6.798  -1.241
  314   2HD   ARG  41           HD1      ARG  41  -8.494   6.013  -2.735
  315    HE   ARG  41           HE       ARG  41 -10.830   7.031  -1.575
  316   1HH1  ARG  41          HH21      ARG  41  -7.767   8.249  -2.609
  317   2HH1  ARG  41          HH22      ARG  41  -8.386   9.810  -3.031
  318   1HH2  ARG  41          HH11      ARG  41 -11.645   9.068  -2.124
  319   2HH2  ARG  41          HH12      ARG  41 -10.574  10.272  -2.758
  320    H    GLU  42           HN       GLU  42  -7.145   4.321   2.880
  321    HA   GLU  42           HA       GLU  42  -5.100   5.788   1.364
  322   1HB   GLU  42           HB2      GLU  42  -6.230   7.532   2.754
  323   2HB   GLU  42           HB1      GLU  42  -5.774   6.630   4.200
  324   1HG   GLU  42           HG2      GLU  42  -3.383   6.838   3.540
  325   2HG   GLU  42           HG1      GLU  42  -3.874   7.821   2.159
  326    H    ALA  43           HN       ALA  43  -3.254   4.496   1.491
  327    HA   ALA  43           HA       ALA  43  -2.867   2.930   4.019
  328   1HB   ALA  43           HB2      ALA  43  -2.850   2.193   1.128
  329   2HB   ALA  43           HB1      ALA  43  -1.702   1.367   2.182
  330   3HB   ALA  43           HB3      ALA  43  -3.432   1.269   2.512
  331    H    VAL  44           HN       VAL  44  -0.907   3.330   4.981
  332    HA   VAL  44           HA       VAL  44   1.178   4.709   3.318
  333    HB   VAL  44           HB       VAL  44   0.051   5.006   6.013
  334   1HG1  VAL  44          HG11      VAL  44   3.018   4.708   5.660
  335   2HG1  VAL  44          HG13      VAL  44   2.403   5.902   6.804
  336   3HG1  VAL  44          HG12      VAL  44   2.001   4.197   7.007
  337   1HG2  VAL  44          HG22      VAL  44   1.144   6.594   3.824
  338   2HG2  VAL  44          HG21      VAL  44  -0.069   7.029   5.027
  339   3HG2  VAL  44          HG23      VAL  44   1.646   7.196   5.404
  340    H    VAL  45           HN       VAL  45   3.244   3.710   3.198
  341    HA   VAL  45           HA       VAL  45   3.670   1.300   4.910
  342    HB   VAL  45           HB       VAL  45   2.386   0.833   2.772
  343   1HG1  VAL  45          HG12      VAL  45   5.074   1.571   1.596
  344   2HG1  VAL  45          HG11      VAL  45   3.811   0.714   0.714
  345   3HG1  VAL  45          HG13      VAL  45   3.529   2.360   1.281
  346   1HG2  VAL  45          HG21      VAL  45   4.943  -0.469   3.611
  347   2HG2  VAL  45          HG23      VAL  45   3.303  -1.113   3.633
  348   3HG2  VAL  45          HG22      VAL  45   4.194  -1.017   2.113
  349    H    THR  46           HN       THR  46   5.792   0.513   4.928
  350    HA   THR  46           HA       THR  46   7.940   2.240   3.733
  351    HB   THR  46           HB       THR  46   7.521   1.039   6.475
  352    HG1  THR  46           HG1      THR  46   8.431   3.229   6.923
  353   1HG2  THR  46          HG22      THR  46   9.735   0.288   5.645
  354   2HG2  THR  46          HG21      THR  46  10.166   1.968   5.325
  355   3HG2  THR  46          HG23      THR  46   9.885   1.428   6.981
  356    H    PHE  47           HN       PHE  47   9.884   0.917   3.179
  357    HA   PHE  47           HA       PHE  47   9.830  -1.957   3.535
  358   1HB   PHE  47           HB2      PHE  47   9.243  -2.547   1.245
  359   2HB   PHE  47           HB1      PHE  47   7.960  -1.538   1.917
  360    HD1  PHE  47           HD2      PHE  47  10.832  -1.633  -0.425
  361    HD2  PHE  47           HD1      PHE  47   7.628   0.754   1.181
  362    HE1  PHE  47           HE2      PHE  47  11.166   0.031  -2.222
  363    HE2  PHE  47           HE1      PHE  47   7.969   2.415  -0.627
  364    HZ   PHE  47           HZ       PHE  47   9.733   2.052  -2.326
  365    H    ASP  48           HN       ASP  48  11.377  -2.956   1.811
  366    HA   ASP  48           HA       ASP  48  13.730  -1.139   1.597
  367   1HB   ASP  48           HB2      ASP  48  13.266  -3.911   2.392
  368   2HB   ASP  48           HB1      ASP  48  14.485  -3.806   1.121
  369    H    ASP  49           HN       ASP  49  14.129  -0.465  -0.481
  370    HA   ASP  49           HA       ASP  49  12.511  -1.357  -2.665
  371   1HB   ASP  49           HB2      ASP  49  13.416   0.493  -3.614
  372   2HB   ASP  49           HB1      ASP  49  14.217   0.742  -2.067
  373    H    THR  50           HN       THR  50  15.075  -2.961  -1.197
  374    HA   THR  50           HA       THR  50  16.493  -4.089  -3.407
  375    HB   THR  50           HB       THR  50  16.847  -5.943  -1.624
  376    HG1  THR  50           HG1      THR  50  15.015  -5.619  -0.418
  377   1HG2  THR  50          HG22      THR  50  18.112  -3.628  -2.062
  378   2HG2  THR  50          HG21      THR  50  17.487  -3.275  -0.452
  379   3HG2  THR  50          HG23      THR  50  18.533  -4.672  -0.705
  380    H    LYS  51           HN       LYS  51  13.478  -5.060  -1.774
  381    HA   LYS  51           HA       LYS  51  13.025  -7.021  -3.999
  382   1HB   LYS  51           HB2      LYS  51  13.088  -7.300  -1.070
  383   2HB   LYS  51           HB1      LYS  51  11.656  -8.010  -1.818
  384   1HG   LYS  51           HG2      LYS  51  13.500  -8.927  -3.537
  385   2HG   LYS  51           HG1      LYS  51  14.521  -8.779  -2.106
  386   1HD   LYS  51           HD2      LYS  51  13.698 -10.897  -1.727
  387   2HD   LYS  51           HD1      LYS  51  12.412  -9.966  -0.958
  388   1HE   LYS  51           HE2      LYS  51  11.118 -11.287  -2.361
  389   2HE   LYS  51           HE1      LYS  51  11.470  -9.962  -3.488
  390   1HZ   LYS  51           HZ1      LYS  51  13.419 -12.140  -3.173
  391   2HZ   LYS  51           HZ3      LYS  51  12.052 -12.403  -4.142
  392   3HZ   LYS  51           HZ2      LYS  51  13.128 -11.143  -4.518
  393    H    ALA  52           HN       ALA  52  12.076  -4.147  -3.390
  394    HA   ALA  52           HA       ALA  52   9.327  -4.527  -4.261
  395   1HB   ALA  52           HB1      ALA  52  10.024  -4.140  -1.398
  396   2HB   ALA  52           HB3      ALA  52   8.681  -3.171  -2.004
  397   3HB   ALA  52           HB2      ALA  52   8.619  -4.930  -2.115
  398    H    SER  53           HN       SER  53   8.198  -2.142  -3.731
  399    HA   SER  53           HA       SER  53   9.897   0.162  -3.749
  400   1HB   SER  53           HB2      SER  53   9.842  -1.420  -6.134
  401   2HB   SER  53           HB1      SER  53   9.038   0.109  -6.476
  402    HG   SER  53           HG       SER  53  11.409   0.034  -6.709
  403    H    VAL  54           HN       VAL  54   8.635   2.112  -4.096
  404    HA   VAL  54           HA       VAL  54   6.030   2.215  -3.183
  405    HB   VAL  54           HB       VAL  54   7.436   4.166  -3.578
  406   1HG1  VAL  54          HG11      VAL  54   8.128   2.974  -5.914
  407   2HG1  VAL  54          HG13      VAL  54   6.975   4.168  -6.509
  408   3HG1  VAL  54          HG12      VAL  54   8.388   4.689  -5.591
  409   1HG2  VAL  54          HG23      VAL  54   4.705   3.944  -4.454
  410   2HG2  VAL  54          HG22      VAL  54   5.515   5.323  -3.710
  411   3HG2  VAL  54          HG21      VAL  54   5.542   5.125  -5.462
  412    H    GLN  55           HN       GLN  55   7.112   1.504  -6.480
  413    HA   GLN  55           HA       GLN  55   4.528   1.551  -7.745
  414   1HB   GLN  55           HB2      GLN  55   7.112   1.330  -8.532
  415   2HB   GLN  55           HB1      GLN  55   6.638  -0.367  -8.619
  416   1HG   GLN  55           HG2      GLN  55   4.889   0.095 -10.173
  417   2HG   GLN  55           HG1      GLN  55   4.989   1.832  -9.879
  418   1HE2  GLN  55          HE22      GLN  55   6.834   1.202 -13.044
  419   2HE2  GLN  55          HE21      GLN  55   5.223   1.079 -12.522
  420    H    LYS  56           HN       LYS  56   6.477  -1.080  -6.329
  421    HA   LYS  56           HA       LYS  56   4.598  -3.189  -6.775
  422   1HB   LYS  56           HB2      LYS  56   7.100  -2.661  -5.352
  423   2HB   LYS  56           HB1      LYS  56   6.082  -3.830  -4.509
  424   1HG   LYS  56           HG2      LYS  56   6.112  -5.343  -6.286
  425   2HG   LYS  56           HG1      LYS  56   6.483  -4.093  -7.474
  426   1HD   LYS  56           HD2      LYS  56   8.696  -3.878  -5.982
  427   2HD   LYS  56           HD1      LYS  56   8.314  -5.566  -5.636
  428   1HE   LYS  56           HE2      LYS  56   8.018  -4.964  -8.481
  429   2HE   LYS  56           HE1      LYS  56   9.665  -4.644  -7.899
  430   1HZ   LYS  56           HZ3      LYS  56   9.465  -6.836  -6.689
  431   2HZ   LYS  56           HZ2      LYS  56   8.089  -7.142  -7.638
  432   3HZ   LYS  56           HZ1      LYS  56   9.605  -6.936  -8.376
  433    H    LEU  57           HN       LEU  57   4.742  -0.678  -4.289
  434    HA   LEU  57           HA       LEU  57   3.034  -2.060  -2.378
  435   1HB   LEU  57           HB2      LEU  57   3.438   0.918  -2.809
  436   2HB   LEU  57           HB1      LEU  57   2.967   0.118  -1.312
  437    HG   LEU  57           HG       LEU  57   5.627  -0.297  -2.715
  438   1HD1  LEU  57          HD13      LEU  57   4.761   1.923  -1.288
  439   2HD1  LEU  57          HD12      LEU  57   5.626   0.964  -0.088
  440   3HD1  LEU  57          HD11      LEU  57   6.441   1.463  -1.567
  441   1HD2  LEU  57          HD22      LEU  57   4.464  -2.064  -1.085
  442   2HD2  LEU  57          HD21      LEU  57   6.194  -1.729  -0.987
  443   3HD2  LEU  57          HD23      LEU  57   5.083  -0.965   0.149
  444    H    THR  58           HN       THR  58   2.466   0.639  -4.637
  445    HA   THR  58           HA       THR  58  -0.394   0.649  -4.434
  446    HB   THR  58           HB       THR  58   1.065   1.396  -6.943
  447    HG1  THR  58           HG1      THR  58   2.216   2.914  -5.979
  448   1HG2  THR  58          HG23      THR  58  -1.026   2.689  -5.177
  449   2HG2  THR  58          HG22      THR  58  -0.314   3.477  -6.584
  450   3HG2  THR  58          HG21      THR  58  -1.260   2.003  -6.786
  451    H    LYS  59           HN       LYS  59   1.888  -1.388  -6.049
  452    HA   LYS  59           HA       LYS  59   0.015  -2.430  -8.050
  453   1HB   LYS  59           HB2      LYS  59   2.474  -2.262  -8.385
  454   2HB   LYS  59           HB1      LYS  59   2.721  -3.385  -7.048
  455   1HG   LYS  59           HG2      LYS  59   2.015  -5.206  -8.261
  456   2HG   LYS  59           HG1      LYS  59   0.878  -4.257  -9.220
  457   1HD   LYS  59           HD2      LYS  59   2.416  -4.383 -10.878
  458   2HD   LYS  59           HD1      LYS  59   3.331  -3.196  -9.946
  459   1HE   LYS  59           HE2      LYS  59   4.010  -5.542  -8.670
  460   2HE   LYS  59           HE1      LYS  59   3.883  -6.061 -10.362
  461   1HZ   LYS  59           HZ1      LYS  59   5.292  -3.586  -9.532
  462   2HZ   LYS  59           HZ3      LYS  59   6.085  -5.074  -9.712
  463   3HZ   LYS  59           HZ2      LYS  59   5.334  -4.346 -11.051
  464    H    ALA  60           HN       ALA  60   1.034  -3.154  -4.773
  465    HA   ALA  60           HA       ALA  60   0.022  -5.879  -4.719
  466   1HB   ALA  60           HB3      ALA  60   1.132  -3.836  -2.885
  467   2HB   ALA  60           HB2      ALA  60   0.026  -4.980  -2.125
  468   3HB   ALA  60           HB1      ALA  60   1.464  -5.566  -2.962
  469    H    THR  61           HN       THR  61  -1.283  -2.687  -3.801
  470    HA   THR  61           HA       THR  61  -3.858  -3.800  -2.938
  471    HB   THR  61           HB       THR  61  -2.865  -1.675  -2.104
  472    HG1  THR  61           HG1      THR  61  -4.831  -0.360  -2.776
  473   1HG2  THR  61          HG22      THR  61  -3.342  -0.741  -4.945
  474   2HG2  THR  61          HG21      THR  61  -2.888   0.307  -3.602
  475   3HG2  THR  61          HG23      THR  61  -1.773  -0.938  -4.165
  476    H    ALA  62           HN       ALA  62  -2.441  -2.338  -5.815
  477    HA   ALA  62           HA       ALA  62  -4.796  -2.133  -7.415
  478   1HB   ALA  62           HB2      ALA  62  -1.852  -2.581  -7.978
  479   2HB   ALA  62           HB1      ALA  62  -3.027  -2.366  -9.276
  480   3HB   ALA  62           HB3      ALA  62  -2.757  -1.073  -8.108
  481    H    ASP  63           HN       ASP  63  -2.665  -4.796  -6.545
  482    HA   ASP  63           HA       ASP  63  -4.015  -6.666  -8.403
  483   1HB   ASP  63           HB2      ASP  63  -1.525  -6.623  -7.916
  484   2HB   ASP  63           HB1      ASP  63  -1.902  -7.152  -6.276
  485    H    ALA  64           HN       ALA  64  -4.294  -5.489  -5.185
  486    HA   ALA  64           HA       ALA  64  -5.476  -7.838  -3.958
  487   1HB   ALA  64           HB2      ALA  64  -4.394  -5.915  -2.770
  488   2HB   ALA  64           HB1      ALA  64  -5.714  -4.878  -3.312
  489   3HB   ALA  64           HB3      ALA  64  -6.038  -6.211  -2.203
  490    H    GLY  65           HN       GLY  65  -6.510  -5.328  -6.093
  491   1HA   GLY  65           HA2      GLY  65  -8.614  -5.855  -7.362
  492   2HA   GLY  65           HA1      GLY  65  -9.326  -6.272  -5.807
  493    H    TYR  66           HN       TYR  66  -7.169  -3.566  -5.974
  494    HA   TYR  66           HA       TYR  66  -9.488  -1.678  -6.039
  495   1HB   TYR  66           HB2      TYR  66  -7.246  -1.583  -4.006
  496   2HB   TYR  66           HB1      TYR  66  -8.774  -0.701  -3.977
  497    HD1  TYR  66           HD1      TYR  66 -10.878  -2.420  -4.376
  498    HD2  TYR  66           HD2      TYR  66  -7.143  -3.352  -2.464
  499    HE1  TYR  66           HE1      TYR  66 -11.968  -4.284  -3.149
  500    HE2  TYR  66           HE2      TYR  66  -8.231  -5.212  -1.250
  501    HH   TYR  66           HH       TYR  66 -11.397  -5.526  -0.814
  502    HA   PRO  67           HA       PRO  67  -6.344  -0.024  -8.907
  503   1HB   PRO  67           HB2      PRO  67  -8.289   2.043  -9.468
  504   2HB   PRO  67           HB1      PRO  67  -7.766   0.721 -10.517
  505   1HG   PRO  67           HG2      PRO  67 -10.278   0.995  -9.163
  506   2HG   PRO  67           HG1      PRO  67  -9.740  -0.338 -10.189
  507   1HD   PRO  67           HD2      PRO  67 -10.103  -0.356  -7.333
  508   2HD   PRO  67           HD1      PRO  67  -9.513  -1.684  -8.363
  509    H    SER  68           HN       SER  68  -4.970   0.751  -7.213
  510    HA   SER  68           HA       SER  68  -5.763   3.333  -5.927
  511   1HB   SER  68           HB2      SER  68  -5.342   1.709  -4.288
  512   2HB   SER  68           HB1      SER  68  -4.044   0.970  -5.218
  513    HG   SER  68           HG       SER  68  -4.040   3.230  -3.581
  514    H    SER  69           HN       SER  69  -3.516   4.494  -5.245
  515    HA   SER  69           HA       SER  69  -1.564   4.501  -7.467
  516   1HB   SER  69           HB2      SER  69  -3.626   6.107  -7.761
  517   2HB   SER  69           HB1      SER  69  -2.838   7.063  -6.509
  518    HG   SER  69           HG       SER  69  -2.019   6.473  -9.122
  519    H    VAL  70           HN       VAL  70   0.091   6.453  -6.684
  520    HA   VAL  70           HA       VAL  70   0.379   6.161  -3.730
  521    HB   VAL  70           HB       VAL  70   1.658   4.563  -5.189
  522   1HG1  VAL  70          HG12      VAL  70   2.103   6.395  -6.926
  523   2HG1  VAL  70          HG11      VAL  70   3.359   6.979  -5.835
  524   3HG1  VAL  70          HG13      VAL  70   3.472   5.359  -6.522
  525   1HG2  VAL  70          HG22      VAL  70   2.423   5.968  -2.889
  526   2HG2  VAL  70          HG21      VAL  70   3.160   4.481  -3.484
  527   3HG2  VAL  70          HG23      VAL  70   3.835   6.047  -3.933
  528    H    LYS  71           HN       LYS  71   1.757   7.807  -2.730
  529    HA   LYS  71           HA       LYS  71   2.369  10.182  -4.427
  530   1HB   LYS  71           HB2      LYS  71   0.981  11.635  -3.056
  531   2HB   LYS  71           HB1      LYS  71  -0.015  10.293  -3.623
  532   1HG   LYS  71           HG2      LYS  71   1.001   9.254  -1.306
  533   2HG   LYS  71           HG1      LYS  71   0.859  10.960  -0.882
  534   1HD   LYS  71           HD2      LYS  71  -1.496  10.195  -2.319
  535   2HD   LYS  71           HD1      LYS  71  -1.221   9.017  -1.035
  536   1HE   LYS  71           HE2      LYS  71  -1.299  10.673   0.663
  537   2HE   LYS  71           HE1      LYS  71  -1.066  11.993  -0.501
  538   1HZ   LYS  71           HZ2      LYS  71  -3.357  10.142  -0.727
  539   2HZ   LYS  71           HZ1      LYS  71  -3.441  11.509   0.279
  540   3HZ   LYS  71           HZ3      LYS  71  -3.180  11.698  -1.386
  541    H    GLN  72           HN       GLN  72   4.221   8.508  -3.214
  542    HA   GLN  72           HA       GLN  72   5.897   8.396  -1.500
  543   1HB   GLN  72           HB2      GLN  72   5.814  11.281  -2.437
  544   2HB   GLN  72           HB1      GLN  72   7.208  10.494  -1.694
  545   1HG   GLN  72           HG2      GLN  72   7.635  10.298  -4.005
  546   2HG   GLN  72           HG1      GLN  72   6.953   8.729  -3.575
  547   1HE2  GLN  72          HE22      GLN  72   4.578   9.160  -6.145
  548   2HE2  GLN  72          HE21      GLN  72   5.790   8.184  -5.465
   
  No H/Q in entry =         548
  Start of MODEL    8
    1   1H    ALA   1           HT2      ALA   1  18.346   1.633   1.224
    2   2H    ALA   1           HT1      ALA   1  19.094   1.399  -0.283
    3   3H    ALA   1           HT3      ALA   1  18.557   2.944   0.165
    4    HA   ALA   1           HA       ALA   1  16.855   2.287  -1.235
    5   1HB   ALA   1           HB3      ALA   1  17.616  -0.399  -0.095
    6   2HB   ALA   1           HB2      ALA   1  16.109  -0.200  -0.989
    7   3HB   ALA   1           HB1      ALA   1  17.652   0.130  -1.776
    8    H    THR   2           HN       THR   2  15.575   3.679   0.104
    9    HA   THR   2           HA       THR   2  13.717   2.320   1.916
   10    HB   THR   2           HB       THR   2  14.366   4.630   3.258
   11    HG1  THR   2           HG1      THR   2  16.789   4.142   3.356
   12   1HG2  THR   2          HG21      THR   2  15.398   1.812   3.582
   13   2HG2  THR   2          HG23      THR   2  15.622   3.067   4.800
   14   3HG2  THR   2          HG22      THR   2  13.996   2.537   4.371
   15    H    GLN   3           HN       GLN   3  12.225   2.872   0.200
   16    HA   GLN   3           HA       GLN   3  11.821   5.813  -0.219
   17   1HB   GLN   3           HB2      GLN   3  10.830   3.545  -1.951
   18   2HB   GLN   3           HB1      GLN   3  11.045   5.236  -2.397
   19   1HG   GLN   3           HG2      GLN   3  13.539   4.140  -1.418
   20   2HG   GLN   3           HG1      GLN   3  12.905   3.143  -2.726
   21   1HE2  GLN   3          HE22      GLN   3  14.857   6.227  -3.961
   22   2HE2  GLN   3          HE21      GLN   3  15.209   5.164  -2.686
   23    H    THR   4           HN       THR   4   9.664   6.612  -0.292
   24    HA   THR   4           HA       THR   4   7.594   4.842   0.963
   25    HB   THR   4           HB       THR   4   8.010   7.812   1.438
   26    HG1  THR   4           HG1      THR   4   9.150   5.548   2.608
   27   1HG2  THR   4          HG22      THR   4   6.302   5.651   2.654
   28   2HG2  THR   4          HG21      THR   4   6.724   7.094   3.578
   29   3HG2  THR   4          HG23      THR   4   5.817   7.244   2.072
   30    H    VAL   5           HN       VAL   5   5.372   5.526   0.407
   31    HA   VAL   5           HA       VAL   5   4.899   7.518  -1.674
   32    HB   VAL   5           HB       VAL   5   5.756   6.044  -3.231
   33   1HG1  VAL   5          HG13      VAL   5   5.075   4.005  -1.193
   34   2HG1  VAL   5          HG12      VAL   5   5.007   3.460  -2.869
   35   3HG1  VAL   5          HG11      VAL   5   6.502   4.136  -2.222
   36   1HG2  VAL   5          HG21      VAL   5   2.902   5.104  -2.869
   37   2HG2  VAL   5          HG23      VAL   5   3.447   6.445  -3.875
   38   3HG2  VAL   5          HG22      VAL   5   3.886   4.792  -4.299
   39    H    THR   6           HN       THR   6   2.615   7.312  -2.450
   40    HA   THR   6           HA       THR   6   0.870   6.403  -0.211
   41    HB   THR   6           HB       THR   6  -0.620   8.117  -1.635
   42    HG1  THR   6           HG1      THR   6   1.897   9.249  -2.025
   43   1HG2  THR   6          HG21      THR   6   1.567   8.657   0.354
   44   2HG2  THR   6          HG23      THR   6   0.567   9.972  -0.262
   45   3HG2  THR   6          HG22      THR   6  -0.178   8.635   0.615
   46    H    LEU   7           HN       LEU   7  -1.302   5.550  -0.985
   47    HA   LEU   7           HA       LEU   7  -1.109   4.366  -3.723
   48   1HB   LEU   7           HB2      LEU   7  -0.950   3.097  -1.128
   49   2HB   LEU   7           HB1      LEU   7  -2.350   2.488  -2.012
   50    HG   LEU   7           HG       LEU   7  -0.991   1.876  -3.891
   51   1HD1  LEU   7          HD13      LEU   7   1.101   3.482  -2.464
   52   2HD1  LEU   7          HD12      LEU   7   1.554   2.254  -3.645
   53   3HD1  LEU   7          HD11      LEU   7   0.550   3.613  -4.129
   54   1HD2  LEU   7          HD23      LEU   7  -0.903   0.454  -1.711
   55   2HD2  LEU   7          HD22      LEU   7   0.307   0.129  -2.953
   56   3HD2  LEU   7          HD21      LEU   7   0.731   1.093  -1.538
   57    H    ALA   8           HN       ALA   8  -3.052   4.150  -4.789
   58    HA   ALA   8           HA       ALA   8  -5.486   5.276  -3.423
   59   1HB   ALA   8           HB3      ALA   8  -4.150   5.663  -6.012
   60   2HB   ALA   8           HB2      ALA   8  -5.884   5.381  -6.167
   61   3HB   ALA   8           HB1      ALA   8  -5.293   6.716  -5.178
   62    H    VAL   9           HN       VAL   9  -6.467   3.324  -2.703
   63    HA   VAL   9           HA       VAL   9  -6.862   1.189  -4.770
   64    HB   VAL   9           HB       VAL   9  -5.644   0.511  -2.790
   65   1HG1  VAL   9          HG11      VAL   9  -7.562   2.281  -1.508
   66   2HG1  VAL   9          HG13      VAL   9  -7.490   0.719  -0.691
   67   3HG1  VAL   9          HG12      VAL   9  -6.023   1.676  -0.896
   68   1HG2  VAL   9          HG21      VAL   9  -8.533  -0.409  -2.676
   69   2HG2  VAL   9          HG23      VAL   9  -7.269  -1.100  -3.692
   70   3HG2  VAL   9          HG22      VAL   9  -7.169  -1.248  -1.939
   71    HA   PRO  10           HA       PRO  10 -11.077   3.064  -4.293
   72   1HB   PRO  10           HB2      PRO  10 -11.626   2.181  -6.945
   73   2HB   PRO  10           HB1      PRO  10 -11.304   3.833  -6.410
   74   1HG   PRO  10           HG2      PRO  10  -9.593   2.069  -7.947
   75   2HG   PRO  10           HG1      PRO  10  -9.350   3.773  -7.551
   76   1HD   PRO  10           HD2      PRO  10  -7.952   1.520  -6.459
   77   2HD   PRO  10           HD1      PRO  10  -7.797   3.227  -5.974
   78    H    GLY  11           HN       GLY  11  -9.767  -0.051  -4.752
   79   1HA   GLY  11           HA2      GLY  11 -12.262  -1.501  -5.133
   80   2HA   GLY  11           HA1      GLY  11 -10.709  -2.215  -4.695
   81    H    MET  12           HN       MET  12 -11.223   0.289  -2.593
   82    HA   MET  12           HA       MET  12 -12.144  -1.579  -0.473
   83   1HB   MET  12           HB2      MET  12 -11.146   0.092   1.001
   84   2HB   MET  12           HB1      MET  12 -10.013  -0.284  -0.292
   85   1HG   MET  12           HG2      MET  12  -9.947   2.039  -0.313
   86   2HG   MET  12           HG1      MET  12 -11.215   1.740  -1.500
   87   1HE   MET  12           HE3      MET  12 -12.773   2.821  -1.731
   88   2HE   MET  12           HE2      MET  12 -14.152   2.960  -0.642
   89   3HE   MET  12           HE1      MET  12 -13.031   4.309  -0.810
   90    H    THR  13           HN       THR  13 -13.525  -0.407   1.279
   91    HA   THR  13           HA       THR  13 -15.175   1.833   0.565
   92    HB   THR  13           HB       THR  13 -15.965   0.381  -1.180
   93    HG1  THR  13           HG1      THR  13 -17.508   1.528   0.290
   94   1HG2  THR  13          HG23      THR  13 -15.953  -1.632   1.028
   95   2HG2  THR  13          HG22      THR  13 -17.145  -1.818  -0.258
   96   3HG2  THR  13          HG21      THR  13 -15.424  -1.801  -0.646
   97    H    CYS  14           HN       CYS  14 -14.022   0.011   2.988
   98    HA   CYS  14           HA       CYS  14 -15.799   1.033   4.958
   99   1HB   CYS  14           HB2      CYS  14 -17.410  -0.586   5.204
  100   2HB   CYS  14           HB1      CYS  14 -17.032  -0.910   3.520
  101    H    ALA  15           HN       ALA  15 -15.590  -0.989   6.933
  102    HA   ALA  15           HA       ALA  15 -12.718  -0.805   7.553
  103   1HB   ALA  15           HB2      ALA  15 -14.992  -0.624   8.999
  104   2HB   ALA  15           HB1      ALA  15 -14.640  -2.336   9.240
  105   3HB   ALA  15           HB3      ALA  15 -13.457  -1.117   9.714
  106    H    ALA  16           HN       ALA  16 -12.886  -2.409   5.345
  107    HA   ALA  16           HA       ALA  16 -11.770  -4.924   6.261
  108   1HB   ALA  16           HB3      ALA  16 -14.593  -4.679   6.065
  109   2HB   ALA  16           HB2      ALA  16 -14.075  -5.709   4.729
  110   3HB   ALA  16           HB1      ALA  16 -13.662  -6.141   6.389
  111    H    CYS  17           HN       CYS  17 -11.448  -2.658   4.211
  112    HA   CYS  17           HA       CYS  17 -10.524  -4.367   2.015
  113   1HB   CYS  17           HB2      CYS  17 -12.492  -2.123   1.467
  114   2HB   CYS  17           HB1      CYS  17 -11.777  -3.205   0.288
  115    HA   PRO  18           HA       PRO  18  -8.638  -0.033   1.397
  116   1HB   PRO  18           HB2      PRO  18  -9.263   1.854   3.370
  117   2HB   PRO  18           HB1      PRO  18  -9.973   1.788   1.755
  118   1HG   PRO  18           HG2      PRO  18 -11.211   1.152   4.322
  119   2HG   PRO  18           HG1      PRO  18 -11.974   1.378   2.747
  120   1HD   PRO  18           HD2      PRO  18 -11.509  -1.080   4.129
  121   2HD   PRO  18           HD1      PRO  18 -12.212  -0.869   2.515
  122    H    ILE  19           HN       ILE  19  -9.359  -0.422   4.869
  123    HA   ILE  19           HA       ILE  19  -6.658  -0.012   5.796
  124    HB   ILE  19           HB       ILE  19  -9.287  -1.028   6.779
  125   1HG1  ILE  19          HG12      ILE  19  -7.241   0.862   7.977
  126   2HG1  ILE  19          HG11      ILE  19  -8.543   1.359   6.896
  127   1HG2  ILE  19          HG23      ILE  19  -6.645  -1.751   8.028
  128   2HG2  ILE  19          HG22      ILE  19  -8.078  -1.515   9.029
  129   3HG2  ILE  19          HG21      ILE  19  -8.067  -2.764   7.784
  130   1HD1  ILE  19          HD11      ILE  19  -9.768  -0.226   8.878
  131   2HD1  ILE  19          HD13      ILE  19  -8.649   0.831   9.738
  132   3HD1  ILE  19          HD12      ILE  19  -9.889   1.524   8.692
  133    H    THR  20           HN       THR  20  -8.376  -2.739   4.430
  134    HA   THR  20           HA       THR  20  -6.725  -4.898   5.337
  135    HB   THR  20           HB       THR  20  -8.020  -4.702   2.612
  136    HG1  THR  20           HG1      THR  20  -9.299  -4.952   5.133
  137   1HG2  THR  20          HG23      THR  20  -7.503  -6.844   4.664
  138   2HG2  THR  20          HG22      THR  20  -8.776  -7.054   3.462
  139   3HG2  THR  20          HG21      THR  20  -7.104  -6.835   2.946
  140    H    VAL  21           HN       VAL  21  -6.360  -2.372   3.005
  141    HA   VAL  21           HA       VAL  21  -4.239  -3.557   1.453
  142    HB   VAL  21           HB       VAL  21  -5.099  -0.686   1.941
  143   1HG1  VAL  21          HG11      VAL  21  -2.950  -1.885   0.344
  144   2HG1  VAL  21          HG13      VAL  21  -4.026  -0.858  -0.604
  145   3HG1  VAL  21          HG12      VAL  21  -3.199  -0.202   0.809
  146   1HG2  VAL  21          HG23      VAL  21  -6.056  -2.887   0.179
  147   2HG2  VAL  21          HG22      VAL  21  -6.958  -1.557   0.907
  148   3HG2  VAL  21          HG21      VAL  21  -5.977  -1.276  -0.531
  149    H    LYS  22           HN       LYS  22  -4.507  -1.604   4.367
  150    HA   LYS  22           HA       LYS  22  -1.791  -0.823   4.665
  151   1HB   LYS  22           HB2      LYS  22  -3.852  -0.082   5.978
  152   2HB   LYS  22           HB1      LYS  22  -3.764  -1.620   6.835
  153   1HG   LYS  22           HG2      LYS  22  -1.314  -0.990   7.337
  154   2HG   LYS  22           HG1      LYS  22  -1.772   0.644   6.852
  155   1HD   LYS  22           HD2      LYS  22  -2.995   0.993   8.739
  156   2HD   LYS  22           HD1      LYS  22  -3.641  -0.648   8.736
  157   1HE   LYS  22           HE2      LYS  22  -1.259  -1.386   9.450
  158   2HE   LYS  22           HE1      LYS  22  -1.007   0.325   9.851
  159   1HZ   LYS  22           HZ2      LYS  22  -3.319   0.087  10.954
  160   2HZ   LYS  22           HZ1      LYS  22  -2.958  -1.573  10.975
  161   3HZ   LYS  22           HZ3      LYS  22  -1.947  -0.476  11.783
  162    H    LYS  23           HN       LYS  23  -3.609  -3.737   5.399
  163    HA   LYS  23           HA       LYS  23  -1.505  -5.084   6.815
  164   1HB   LYS  23           HB2      LYS  23  -4.054  -5.518   6.706
  165   2HB   LYS  23           HB1      LYS  23  -3.696  -6.392   5.216
  166   1HG   LYS  23           HG2      LYS  23  -2.463  -6.969   7.926
  167   2HG   LYS  23           HG1      LYS  23  -3.729  -7.924   7.154
  168   1HD   LYS  23           HD2      LYS  23  -1.949  -7.922   5.146
  169   2HD   LYS  23           HD1      LYS  23  -0.828  -7.736   6.496
  170   1HE   LYS  23           HE2      LYS  23  -2.978  -9.815   6.725
  171   2HE   LYS  23           HE1      LYS  23  -1.560 -10.164   5.714
  172   1HZ   LYS  23           HZ1      LYS  23  -0.143  -9.452   7.566
  173   2HZ   LYS  23           HZ3      LYS  23  -1.516  -9.224   8.536
  174   3HZ   LYS  23           HZ2      LYS  23  -1.107 -10.783   7.995
  175    H    ALA  24           HN       ALA  24  -2.484  -4.951   3.457
  176    HA   ALA  24           HA       ALA  24  -0.831  -6.989   2.396
  177   1HB   ALA  24           HB1      ALA  24  -2.759  -5.651   1.361
  178   2HB   ALA  24           HB3      ALA  24  -1.561  -4.402   1.021
  179   3HB   ALA  24           HB2      ALA  24  -1.394  -6.003   0.302
  180    H    LEU  25           HN       LEU  25  -0.196  -3.443   2.411
  181    HA   LEU  25           HA       LEU  25   2.495  -3.643   1.444
  182   1HB   LEU  25           HB2      LEU  25   1.406  -1.525   3.310
  183   2HB   LEU  25           HB1      LEU  25   2.598  -1.326   2.026
  184    HG   LEU  25           HG       LEU  25   0.231  -2.432   0.868
  185   1HD1  LEU  25          HD13      LEU  25  -0.603  -1.242   3.097
  186   2HD1  LEU  25          HD12      LEU  25  -0.407   0.211   2.118
  187   3HD1  LEU  25          HD11      LEU  25  -1.499  -1.070   1.589
  188   1HD2  LEU  25          HD22      LEU  25   2.025  -0.111   0.601
  189   2HD2  LEU  25          HD21      LEU  25   1.288  -1.109  -0.652
  190   3HD2  LEU  25          HD23      LEU  25   0.371   0.208   0.079
  191    H    SER  26           HN       SER  26   1.120  -3.802   4.692
  192    HA   SER  26           HA       SER  26   3.601  -3.582   6.145
  193   1HB   SER  26           HB2      SER  26   2.216  -4.042   7.989
  194   2HB   SER  26           HB1      SER  26   1.056  -3.404   6.828
  195    HG   SER  26           HG       SER  26   0.905  -5.681   8.004
  196    H    LYS  27           HN       LYS  27   2.054  -6.075   4.329
  197    HA   LYS  27           HA       LYS  27   4.032  -8.050   5.363
  198   1HB   LYS  27           HB2      LYS  27   2.108  -9.118   5.941
  199   2HB   LYS  27           HB1      LYS  27   1.132  -8.046   4.946
  200   1HG   LYS  27           HG2      LYS  27   2.773 -10.299   3.771
  201   2HG   LYS  27           HG1      LYS  27   1.106 -10.511   4.295
  202   1HD   LYS  27           HD2      LYS  27   0.889  -8.239   2.788
  203   2HD   LYS  27           HD1      LYS  27   2.159  -9.105   1.921
  204   1HE   LYS  27           HE2      LYS  27  -0.051 -10.863   2.727
  205   2HE   LYS  27           HE1      LYS  27  -0.553  -9.571   1.619
  206   1HZ   LYS  27           HZ2      LYS  27   1.582 -10.133   0.367
  207   2HZ   LYS  27           HZ1      LYS  27   1.576 -11.589   1.242
  208   3HZ   LYS  27           HZ3      LYS  27   0.283 -11.216   0.211
  209    H    VAL  28           HN       VAL  28   3.579  -6.042   2.843
  210    HA   VAL  28           HA       VAL  28   3.600  -7.582   0.478
  211    HB   VAL  28           HB       VAL  28   3.391  -5.138   0.590
  212   1HG1  VAL  28          HG13      VAL  28   5.276  -5.067   2.418
  213   2HG1  VAL  28          HG12      VAL  28   6.354  -4.912   1.031
  214   3HG1  VAL  28          HG11      VAL  28   5.093  -3.710   1.307
  215   1HG2  VAL  28          HG21      VAL  28   5.047  -6.609  -1.224
  216   2HG2  VAL  28          HG23      VAL  28   4.093  -5.161  -1.548
  217   3HG2  VAL  28          HG22      VAL  28   5.762  -5.012  -0.998
  218    H    GLU  29           HN       GLU  29   6.462  -6.513   2.393
  219    HA   GLU  29           HA       GLU  29   7.947  -8.897   2.062
  220   1HB   GLU  29           HB2      GLU  29   7.743  -7.161  -0.282
  221   2HB   GLU  29           HB1      GLU  29   9.418  -7.475   0.175
  222   1HG   GLU  29           HG2      GLU  29   8.179  -9.948   0.460
  223   2HG   GLU  29           HG1      GLU  29   7.457  -9.279  -1.004
  224    H    GLY  30           HN       GLY  30   9.372  -5.832   1.073
  225   1HA   GLY  30           HA2      GLY  30  11.040  -5.879   3.520
  226   2HA   GLY  30           HA1      GLY  30  11.353  -4.923   2.076
  227    H    VAL  31           HN       VAL  31   8.111  -4.709   3.004
  228    HA   VAL  31           HA       VAL  31   7.937  -1.970   3.394
  229    HB   VAL  31           HB       VAL  31   6.095  -3.685   3.376
  230   1HG1  VAL  31          HG11      VAL  31   6.940  -4.017   6.271
  231   2HG1  VAL  31          HG13      VAL  31   5.488  -4.707   5.548
  232   3HG1  VAL  31          HG12      VAL  31   7.079  -5.240   5.008
  233   1HG2  VAL  31          HG23      VAL  31   6.309  -1.286   5.021
  234   2HG2  VAL  31          HG22      VAL  31   4.977  -1.821   3.997
  235   3HG2  VAL  31          HG21      VAL  31   5.106  -2.408   5.656
  236    H    SER  32           HN       SER  32   8.605  -0.553   4.885
  237    HA   SER  32           HA       SER  32   9.891  -1.609   7.371
  238   1HB   SER  32           HB2      SER  32  10.900  -0.041   5.359
  239   2HB   SER  32           HB1      SER  32  10.353   1.180   6.504
  240    HG   SER  32           HG       SER  32  12.520   0.432   6.875
  241    H    LYS  33           HN       LYS  33   7.351   0.256   6.052
  242    HA   LYS  33           HA       LYS  33   6.190   0.705   8.708
  243   1HB   LYS  33           HB2      LYS  33   7.527   2.591   8.901
  244   2HB   LYS  33           HB1      LYS  33   7.628   2.826   7.160
  245   1HG   LYS  33           HG2      LYS  33   5.643   4.002   7.065
  246   2HG   LYS  33           HG1      LYS  33   4.951   3.143   8.441
  247   1HD   LYS  33           HD2      LYS  33   6.652   4.348   9.898
  248   2HD   LYS  33           HD1      LYS  33   7.008   5.359   8.496
  249   1HE   LYS  33           HE2      LYS  33   4.281   5.039   9.807
  250   2HE   LYS  33           HE1      LYS  33   5.318   6.477   9.886
  251   1HZ   LYS  33           HZ3      LYS  33   5.293   6.018   7.264
  252   2HZ   LYS  33           HZ2      LYS  33   3.743   5.452   7.666
  253   3HZ   LYS  33           HZ1      LYS  33   4.188   7.050   8.033
  254    H    VAL  34           HN       VAL  34   3.950   1.553   8.477
  255    HA   VAL  34           HA       VAL  34   2.922   1.829   5.718
  256    HB   VAL  34           HB       VAL  34   2.265  -0.462   7.584
  257   1HG1  VAL  34          HG11      VAL  34   0.828   0.683   5.228
  258   2HG1  VAL  34          HG13      VAL  34   0.892  -1.073   5.377
  259   3HG1  VAL  34          HG12      VAL  34   0.178  -0.104   6.665
  260   1HG2  VAL  34          HG23      VAL  34   3.583  -0.228   4.872
  261   2HG2  VAL  34          HG22      VAL  34   4.259  -0.913   6.349
  262   3HG2  VAL  34          HG21      VAL  34   2.967  -1.758   5.497
  263    H    ASP  35           HN       ASP  35   1.006   2.927   5.632
  264    HA   ASP  35           HA       ASP  35  -0.584   3.374   8.110
  265   1HB   ASP  35           HB2      ASP  35   1.138   5.267   6.648
  266   2HB   ASP  35           HB1      ASP  35  -0.516   5.850   6.837
  267    H    VAL  36           HN       VAL  36  -2.848   4.094   7.441
  268    HA   VAL  36           HA       VAL  36  -3.354   3.915   4.529
  269    HB   VAL  36           HB       VAL  36  -3.186   1.607   5.538
  270   1HG1  VAL  36          HG12      VAL  36  -5.722   2.543   6.918
  271   2HG1  VAL  36          HG11      VAL  36  -5.144   0.879   6.892
  272   3HG1  VAL  36          HG13      VAL  36  -4.203   2.126   7.710
  273   1HG2  VAL  36          HG22      VAL  36  -4.790   2.539   3.567
  274   2HG2  VAL  36          HG21      VAL  36  -4.753   0.841   4.044
  275   3HG2  VAL  36          HG23      VAL  36  -6.014   1.905   4.667
  276    H    GLY  37           HN       GLY  37  -5.674   4.122   4.022
  277   1HA   GLY  37           HA2      GLY  37  -7.194   5.664   6.067
  278   2HA   GLY  37           HA1      GLY  37  -7.064   6.248   4.402
  279    H    PHE  38           HN       PHE  38  -8.862   4.345   6.492
  280    HA   PHE  38           HA       PHE  38  -9.855   2.179   5.070
  281   1HB   PHE  38           HB2      PHE  38 -11.692   2.355   6.611
  282   2HB   PHE  38           HB1      PHE  38 -10.275   2.989   7.436
  283    HD1  PHE  38           HD1      PHE  38 -10.032   5.742   6.331
  284    HD2  PHE  38           HD2      PHE  38 -13.533   3.509   7.444
  285    HE1  PHE  38           HE1      PHE  38 -11.250   7.850   6.723
  286    HE2  PHE  38           HE2      PHE  38 -14.750   5.632   7.836
  287    HZ   PHE  38           HZ       PHE  38 -13.608   7.801   7.476
  288    H    GLU  39           HN       GLU  39 -12.747   3.422   5.184
  289    HA   GLU  39           HA       GLU  39 -13.689   3.405   2.694
  290   1HB   GLU  39           HB2      GLU  39 -14.384   4.636   5.093
  291   2HB   GLU  39           HB1      GLU  39 -14.445   5.948   3.915
  292   1HG   GLU  39           HG2      GLU  39 -15.952   4.686   2.496
  293   2HG   GLU  39           HG1      GLU  39 -15.793   3.262   3.526
  294    H    LYS  40           HN       LYS  40 -11.475   5.974   3.785
  295    HA   LYS  40           HA       LYS  40 -11.778   7.558   1.335
  296   1HB   LYS  40           HB2      LYS  40 -10.009   7.553   3.779
  297   2HB   LYS  40           HB1      LYS  40  -9.702   8.665   2.444
  298   1HG   LYS  40           HG2      LYS  40 -12.152   9.358   2.633
  299   2HG   LYS  40           HG1      LYS  40 -12.189   8.468   4.156
  300   1HD   LYS  40           HD2      LYS  40 -10.093   9.859   4.782
  301   2HD   LYS  40           HD1      LYS  40 -10.569  10.913   3.451
  302   1HE   LYS  40           HE2      LYS  40 -12.581  11.547   4.505
  303   2HE   LYS  40           HE1      LYS  40 -12.572  10.129   5.573
  304   1HZ   LYS  40           HZ2      LYS  40 -10.222  11.198   6.178
  305   2HZ   LYS  40           HZ1      LYS  40 -11.068  12.616   5.787
  306   3HZ   LYS  40           HZ3      LYS  40 -11.649  11.595   7.010
  307    H    ARG  41           HN       ARG  41 -10.886   4.674   1.138
  308    HA   ARG  41           HA       ARG  41  -8.928   3.415   0.444
  309   1HB   ARG  41           HB2      ARG  41  -9.265   3.427  -1.919
  310   2HB   ARG  41           HB1      ARG  41 -10.811   3.828  -1.181
  311   1HG   ARG  41           HG2      ARG  41 -10.864   5.673  -2.460
  312   2HG   ARG  41           HG1      ARG  41  -9.493   6.291  -1.543
  313   1HD   ARG  41           HD2      ARG  41  -8.204   6.108  -3.408
  314   2HD   ARG  41           HD1      ARG  41  -8.497   4.359  -3.419
  315    HE   ARG  41           HE       ARG  41 -10.862   5.531  -4.380
  316   1HH1  ARG  41          HH21      ARG  41  -7.511   5.461  -5.216
  317   2HH1  ARG  41          HH22      ARG  41  -7.801   5.665  -6.912
  318   1HH2  ARG  41          HH11      ARG  41 -11.250   5.793  -6.579
  319   2HH2  ARG  41          HH12      ARG  41  -9.917   5.855  -7.683
  320    H    GLU  42           HN       GLU  42  -7.008   4.337   1.484
  321    HA   GLU  42           HA       GLU  42  -5.186   5.503  -0.499
  322   1HB   GLU  42           HB2      GLU  42  -6.826   7.246   0.889
  323   2HB   GLU  42           HB1      GLU  42  -5.337   7.286   1.833
  324   1HG   GLU  42           HG2      GLU  42  -4.038   7.929  -0.074
  325   2HG   GLU  42           HG1      GLU  42  -5.373   7.594  -1.177
  326    H    ALA  43           HN       ALA  43  -3.468   4.114  -0.032
  327    HA   ALA  43           HA       ALA  43  -2.745   3.748   2.854
  328   1HB   ALA  43           HB1      ALA  43  -3.351   1.905   0.976
  329   2HB   ALA  43           HB3      ALA  43  -1.612   2.031   0.713
  330   3HB   ALA  43           HB2      ALA  43  -2.233   1.581   2.301
  331    H    VAL  44           HN       VAL  44  -0.885   4.755   3.537
  332    HA   VAL  44           HA       VAL  44   1.114   5.586   1.462
  333    HB   VAL  44           HB       VAL  44  -0.119   7.293   2.917
  334   1HG1  VAL  44          HG11      VAL  44   0.236   5.626   4.945
  335   2HG1  VAL  44          HG13      VAL  44   1.753   6.509   5.118
  336   3HG1  VAL  44          HG12      VAL  44   0.216   7.370   5.210
  337   1HG2  VAL  44          HG21      VAL  44   2.211   7.548   1.818
  338   2HG2  VAL  44          HG23      VAL  44   1.798   8.671   3.113
  339   3HG2  VAL  44          HG22      VAL  44   2.855   7.298   3.440
  340    H    VAL  45           HN       VAL  45   2.790   4.112   1.432
  341    HA   VAL  45           HA       VAL  45   3.622   2.992   4.099
  342    HB   VAL  45           HB       VAL  45   3.165   1.729   1.404
  343   1HG1  VAL  45          HG11      VAL  45   5.066   0.916   3.558
  344   2HG1  VAL  45          HG13      VAL  45   4.102  -0.355   2.807
  345   3HG1  VAL  45          HG12      VAL  45   5.163   0.650   1.818
  346   1HG2  VAL  45          HG23      VAL  45   1.903   1.754   4.030
  347   2HG2  VAL  45          HG22      VAL  45   1.271   1.157   2.495
  348   3HG2  VAL  45          HG21      VAL  45   2.270   0.112   3.505
  349    H    THR  46           HN       THR  46   5.771   2.571   4.428
  350    HA   THR  46           HA       THR  46   7.747   3.756   2.500
  351    HB   THR  46           HB       THR  46   7.485   3.562   5.499
  352    HG1  THR  46           HG1      THR  46   8.122   5.747   5.287
  353   1HG2  THR  46          HG23      THR  46  10.075   3.896   3.954
  354   2HG2  THR  46          HG22      THR  46   9.895   4.219   5.679
  355   3HG2  THR  46          HG21      THR  46   9.671   2.583   5.061
  356    H    PHE  47           HN       PHE  47   9.811   2.458   2.402
  357    HA   PHE  47           HA       PHE  47   9.878  -0.182   3.601
  358   1HB   PHE  47           HB2      PHE  47   9.443  -1.410   1.497
  359   2HB   PHE  47           HB1      PHE  47   8.050  -0.425   1.953
  360    HD1  PHE  47           HD2      PHE  47  10.961  -0.678  -0.336
  361    HD2  PHE  47           HD1      PHE  47   7.415   1.537   0.682
  362    HE1  PHE  47           HE2      PHE  47  11.127   0.566  -2.463
  363    HE2  PHE  47           HE1      PHE  47   7.583   2.774  -1.458
  364    HZ   PHE  47           HZ       PHE  47   9.436   2.286  -3.028
  365    H    ASP  48           HN       ASP  48  11.408  -1.573   2.015
  366    HA   ASP  48           HA       ASP  48  13.789   0.150   1.537
  367   1HB   ASP  48           HB2      ASP  48  13.547  -2.855   1.930
  368   2HB   ASP  48           HB1      ASP  48  15.043  -1.920   1.933
  369    H    ASP  49           HN       ASP  49  14.221   0.488  -0.612
  370    HA   ASP  49           HA       ASP  49  12.605  -0.805  -2.623
  371   1HB   ASP  49           HB2      ASP  49  13.415   0.884  -3.931
  372   2HB   ASP  49           HB1      ASP  49  13.979   1.523  -2.391
  373    H    THR  50           HN       THR  50  15.082  -2.165  -0.943
  374    HA   THR  50           HA       THR  50  16.475  -3.472  -3.190
  375    HB   THR  50           HB       THR  50  17.334  -4.786  -1.026
  376    HG1  THR  50           HG1      THR  50  17.077  -3.565   0.807
  377   1HG2  THR  50          HG22      THR  50  18.628  -3.201  -2.465
  378   2HG2  THR  50          HG21      THR  50  18.002  -1.868  -1.496
  379   3HG2  THR  50          HG23      THR  50  19.045  -3.082  -0.756
  380    H    LYS  51           HN       LYS  51  13.944  -4.220  -0.826
  381    HA   LYS  51           HA       LYS  51  13.565  -6.875  -2.169
  382   1HB   LYS  51           HB2      LYS  51  13.870  -6.055   0.587
  383   2HB   LYS  51           HB1      LYS  51  12.299  -6.826   0.363
  384   1HG   LYS  51           HG2      LYS  51  13.703  -8.598  -1.000
  385   2HG   LYS  51           HG1      LYS  51  15.043  -7.968  -0.040
  386   1HD   LYS  51           HD2      LYS  51  12.434  -9.010   1.103
  387   2HD   LYS  51           HD1      LYS  51  13.947  -9.916   1.052
  388   1HE   LYS  51           HE2      LYS  51  14.842  -7.652   2.235
  389   2HE   LYS  51           HE1      LYS  51  13.165  -7.655   2.820
  390   1HZ   LYS  51           HZ1      LYS  51  13.699 -10.208   3.088
  391   2HZ   LYS  51           HZ3      LYS  51  15.284  -9.628   3.253
  392   3HZ   LYS  51           HZ2      LYS  51  14.070  -9.093   4.315
  393    H    ALA  52           HN       ALA  52  12.273  -3.807  -1.800
  394    HA   ALA  52           HA       ALA  52   9.606  -4.752  -2.728
  395   1HB   ALA  52           HB3      ALA  52   9.662  -4.458  -0.216
  396   2HB   ALA  52           HB2      ALA  52  10.006  -2.750  -0.488
  397   3HB   ALA  52           HB1      ALA  52   8.479  -3.439  -1.037
  398    H    SER  53           HN       SER  53   8.280  -2.438  -3.006
  399    HA   SER  53           HA       SER  53   9.766  -0.129  -3.831
  400   1HB   SER  53           HB2      SER  53  10.096  -2.331  -5.488
  401   2HB   SER  53           HB1      SER  53   8.842  -1.403  -6.305
  402    HG   SER  53           HG       SER  53  10.212   0.228  -6.578
  403    H    VAL  54           HN       VAL  54   8.301   1.507  -4.703
  404    HA   VAL  54           HA       VAL  54   5.701   1.615  -3.821
  405    HB   VAL  54           HB       VAL  54   5.437   3.310  -5.580
  406   1HG1  VAL  54          HG12      VAL  54   7.685   3.104  -3.779
  407   2HG1  VAL  54          HG11      VAL  54   8.118   4.053  -5.202
  408   3HG1  VAL  54          HG13      VAL  54   6.738   4.528  -4.212
  409   1HG2  VAL  54          HG23      VAL  54   7.641   1.716  -6.804
  410   2HG2  VAL  54          HG22      VAL  54   6.251   2.478  -7.577
  411   3HG2  VAL  54          HG21      VAL  54   7.633   3.458  -7.083
  412    H    GLN  55           HN       GLN  55   6.897  -0.005  -6.721
  413    HA   GLN  55           HA       GLN  55   4.319  -0.569  -7.900
  414   1HB   GLN  55           HB2      GLN  55   6.864  -0.709  -8.717
  415   2HB   GLN  55           HB1      GLN  55   6.691  -2.382  -8.186
  416   1HG   GLN  55           HG2      GLN  55   4.404  -2.161  -9.574
  417   2HG   GLN  55           HG1      GLN  55   5.366  -0.965 -10.445
  418   1HE2  GLN  55          HE22      GLN  55   5.932  -4.515 -11.765
  419   2HE2  GLN  55          HE21      GLN  55   4.496  -3.700 -11.373
  420    H    LYS  56           HN       LYS  56   6.537  -2.440  -5.822
  421    HA   LYS  56           HA       LYS  56   4.911  -4.773  -5.563
  422   1HB   LYS  56           HB2      LYS  56   6.885  -3.572  -3.595
  423   2HB   LYS  56           HB1      LYS  56   6.452  -5.276  -3.747
  424   1HG   LYS  56           HG2      LYS  56   7.218  -4.883  -6.266
  425   2HG   LYS  56           HG1      LYS  56   8.166  -3.593  -5.527
  426   1HD   LYS  56           HD2      LYS  56   9.595  -5.051  -4.549
  427   2HD   LYS  56           HD1      LYS  56   8.288  -6.119  -4.037
  428   1HE   LYS  56           HE2      LYS  56   9.186  -5.977  -6.926
  429   2HE   LYS  56           HE1      LYS  56   9.918  -7.100  -5.764
  430   1HZ   LYS  56           HZ1      LYS  56   7.027  -6.966  -5.687
  431   2HZ   LYS  56           HZ3      LYS  56   7.659  -7.617  -7.120
  432   3HZ   LYS  56           HZ2      LYS  56   8.053  -8.320  -5.624
  433    H    LEU  57           HN       LEU  57   4.767  -1.627  -3.978
  434    HA   LEU  57           HA       LEU  57   3.158  -2.478  -1.713
  435   1HB   LEU  57           HB2      LEU  57   3.301   0.224  -3.093
  436   2HB   LEU  57           HB1      LEU  57   2.843  -0.081  -1.420
  437    HG   LEU  57           HG       LEU  57   5.575  -0.696  -2.585
  438   1HD1  LEU  57          HD11      LEU  57   4.517   1.794  -2.059
  439   2HD1  LEU  57          HD13      LEU  57   5.321   1.394  -0.541
  440   3HD1  LEU  57          HD12      LEU  57   6.235   1.399  -2.049
  441   1HD2  LEU  57          HD21      LEU  57   4.370  -0.846   0.185
  442   2HD2  LEU  57          HD23      LEU  57   5.214  -2.115  -0.705
  443   3HD2  LEU  57          HD22      LEU  57   6.112  -0.738  -0.066
  444    H    THR  58           HN       THR  58   2.383  -0.805  -4.773
  445    HA   THR  58           HA       THR  58  -0.462  -0.909  -4.528
  446    HB   THR  58           HB       THR  58   1.133  -1.032  -7.098
  447    HG1  THR  58           HG1      THR  58   2.068   0.744  -6.552
  448   1HG2  THR  58          HG21      THR  58  -1.524   0.021  -6.212
  449   2HG2  THR  58          HG23      THR  58  -0.692   0.830  -7.540
  450   3HG2  THR  58          HG22      THR  58  -1.106  -0.879  -7.670
  451    H    LYS  59           HN       LYS  59   1.958  -3.241  -5.442
  452    HA   LYS  59           HA       LYS  59   0.119  -5.092  -6.761
  453   1HB   LYS  59           HB2      LYS  59   2.907  -4.673  -6.462
  454   2HB   LYS  59           HB1      LYS  59   2.572  -6.255  -5.759
  455   1HG   LYS  59           HG2      LYS  59   1.487  -6.996  -7.797
  456   2HG   LYS  59           HG1      LYS  59   1.610  -5.382  -8.497
  457   1HD   LYS  59           HD2      LYS  59   4.124  -5.577  -8.262
  458   2HD   LYS  59           HD1      LYS  59   3.883  -7.270  -7.832
  459   1HE   LYS  59           HE2      LYS  59   2.434  -6.468 -10.270
  460   2HE   LYS  59           HE1      LYS  59   4.201  -6.363 -10.413
  461   1HZ   LYS  59           HZ2      LYS  59   4.310  -8.594  -9.368
  462   2HZ   LYS  59           HZ1      LYS  59   2.618  -8.696  -9.480
  463   3HZ   LYS  59           HZ3      LYS  59   3.554  -8.601 -10.890
  464    H    ALA  60           HN       ALA  60   1.355  -4.512  -3.510
  465    HA   ALA  60           HA       ALA  60   0.596  -7.050  -2.366
  466   1HB   ALA  60           HB1      ALA  60   1.426  -4.335  -1.499
  467   2HB   ALA  60           HB3      ALA  60   0.497  -5.251  -0.313
  468   3HB   ALA  60           HB2      ALA  60   2.004  -5.908  -0.951
  469    H    THR  61           HN       THR  61  -1.057  -3.878  -2.568
  470    HA   THR  61           HA       THR  61  -3.492  -4.852  -1.272
  471    HB   THR  61           HB       THR  61  -2.699  -2.470  -1.427
  472    HG1  THR  61           HG1      THR  61  -5.157  -2.675  -2.766
  473   1HG2  THR  61          HG21      THR  61  -1.913  -2.674  -3.801
  474   2HG2  THR  61          HG23      THR  61  -3.602  -2.692  -4.308
  475   3HG2  THR  61          HG22      THR  61  -2.933  -1.264  -3.519
  476    H    ALA  62           HN       ALA  62  -2.274  -4.432  -4.556
  477    HA   ALA  62           HA       ALA  62  -4.625  -5.111  -5.997
  478   1HB   ALA  62           HB3      ALA  62  -2.535  -4.168  -6.949
  479   2HB   ALA  62           HB2      ALA  62  -1.695  -5.675  -6.582
  480   3HB   ALA  62           HB1      ALA  62  -2.987  -5.654  -7.782
  481    H    ASP  63           HN       ASP  63  -2.291  -7.003  -4.190
  482    HA   ASP  63           HA       ASP  63  -3.366  -9.570  -5.200
  483   1HB   ASP  63           HB2      ASP  63  -0.896  -8.810  -4.508
  484   2HB   ASP  63           HB1      ASP  63  -1.451  -9.315  -2.910
  485    H    ALA  64           HN       ALA  64  -3.799  -7.348  -2.556
  486    HA   ALA  64           HA       ALA  64  -4.894  -9.243  -0.645
  487   1HB   ALA  64           HB1      ALA  64  -3.964  -6.747  -0.481
  488   2HB   ALA  64           HB3      ALA  64  -5.656  -6.341  -0.768
  489   3HB   ALA  64           HB2      ALA  64  -5.208  -7.313   0.633
  490    H    GLY  65           HN       GLY  65  -5.987  -7.724  -3.528
  491   1HA   GLY  65           HA2      GLY  65  -8.037  -8.652  -4.573
  492   2HA   GLY  65           HA1      GLY  65  -8.754  -8.672  -2.964
  493    H    TYR  66           HN       TYR  66  -6.761  -6.013  -3.979
  494    HA   TYR  66           HA       TYR  66  -9.193  -4.337  -4.449
  495   1HB   TYR  66           HB2      TYR  66  -6.853  -3.630  -2.650
  496   2HB   TYR  66           HB1      TYR  66  -8.355  -2.730  -2.842
  497    HD1  TYR  66           HD1      TYR  66 -10.465  -4.618  -2.718
  498    HD2  TYR  66           HD2      TYR  66  -6.768  -4.626  -0.523
  499    HE1  TYR  66           HE1      TYR  66 -11.532  -5.958  -0.922
  500    HE2  TYR  66           HE2      TYR  66  -7.836  -5.971   1.265
  501    HH   TYR  66           HH       TYR  66  -9.651  -7.196   1.811
  502    HA   PRO  67           HA       PRO  67  -6.105  -3.691  -7.817
  503   1HB   PRO  67           HB2      PRO  67  -8.340  -2.322  -9.091
  504   2HB   PRO  67           HB1      PRO  67  -7.502  -3.788  -9.611
  505   1HG   PRO  67           HG2      PRO  67 -10.111  -3.616  -8.497
  506   2HG   PRO  67           HG1      PRO  67  -9.203  -5.086  -8.864
  507   1HD   PRO  67           HD2      PRO  67  -9.859  -4.004  -6.261
  508   2HD   PRO  67           HD1      PRO  67  -8.967  -5.501  -6.633
  509    H    SER  68           HN       SER  68  -4.915  -2.114  -6.634
  510    HA   SER  68           HA       SER  68  -6.138   0.606  -6.409
  511   1HB   SER  68           HB2      SER  68  -5.265  -0.719  -4.410
  512   2HB   SER  68           HB1      SER  68  -3.652  -0.504  -5.084
  513    HG   SER  68           HG       SER  68  -3.706   1.352  -4.110
  514    H    SER  69           HN       SER  69  -3.923   2.146  -6.184
  515    HA   SER  69           HA       SER  69  -2.209   1.705  -8.571
  516   1HB   SER  69           HB2      SER  69  -3.731   4.266  -7.991
  517   2HB   SER  69           HB1      SER  69  -2.797   3.888  -9.436
  518    HG   SER  69           HG       SER  69  -5.166   2.602  -8.534
  519    H    VAL  70           HN       VAL  70  -0.810   4.083  -8.452
  520    HA   VAL  70           HA       VAL  70  -0.017   4.386  -5.602
  521    HB   VAL  70           HB       VAL  70   1.125   2.565  -7.049
  522   1HG1  VAL  70          HG11      VAL  70   1.502   4.177  -8.962
  523   2HG1  VAL  70          HG13      VAL  70   2.703   4.989  -7.958
  524   3HG1  VAL  70          HG12      VAL  70   2.949   3.312  -8.444
  525   1HG2  VAL  70          HG23      VAL  70   2.107   4.384  -5.012
  526   2HG2  VAL  70          HG22      VAL  70   2.428   2.661  -5.209
  527   3HG2  VAL  70          HG21      VAL  70   3.430   3.844  -6.046
  528    H    LYS  71           HN       LYS  71   1.233   6.312  -5.152
  529    HA   LYS  71           HA       LYS  71   1.579   8.259  -7.379
  530   1HB   LYS  71           HB2      LYS  71   0.195   9.925  -6.136
  531   2HB   LYS  71           HB1      LYS  71  -0.744   8.520  -6.644
  532   1HG   LYS  71           HG2      LYS  71   0.264   7.757  -4.172
  533   2HG   LYS  71           HG1      LYS  71  -0.129   9.462  -3.947
  534   1HD   LYS  71           HD2      LYS  71  -2.271   8.374  -5.423
  535   2HD   LYS  71           HD1      LYS  71  -1.923   7.205  -4.149
  536   1HE   LYS  71           HE2      LYS  71  -1.752   9.642  -2.820
  537   2HE   LYS  71           HE1      LYS  71  -3.121   9.867  -3.926
  538   1HZ   LYS  71           HZ3      LYS  71  -3.564   7.381  -3.143
  539   2HZ   LYS  71           HZ2      LYS  71  -2.797   7.960  -1.743
  540   3HZ   LYS  71           HZ1      LYS  71  -4.204   8.718  -2.319
  541    H    GLN  72           HN       GLN  72   3.665   7.148  -6.047
  542    HA   GLN  72           HA       GLN  72   4.625   8.047  -3.626
  543   1HB   GLN  72           HB2      GLN  72   5.738   6.619  -5.408
  544   2HB   GLN  72           HB1      GLN  72   6.199   8.117  -6.216
  545   1HG   GLN  72           HG2      GLN  72   6.834   7.739  -3.303
  546   2HG   GLN  72           HG1      GLN  72   7.872   7.010  -4.527
  547   1HE2  GLN  72          HE22      GLN  72   8.512  10.422  -5.938
  548   2HE2  GLN  72          HE21      GLN  72   7.818   8.995  -6.540
   
  No H/Q in entry =         548
  Start of MODEL    9
    1   1H    ALA   1           HT3      ALA   1 -18.470   1.425  -1.678
    2   2H    ALA   1           HT2      ALA   1 -19.013   1.944  -0.154
    3   3H    ALA   1           HT1      ALA   1 -18.056   2.970  -1.113
    4    HA   ALA   1           HA       ALA   1 -16.690   2.032   0.629
    5   1HB   ALA   1           HB3      ALA   1 -18.312   0.108   0.861
    6   2HB   ALA   1           HB2      ALA   1 -17.563  -0.614  -0.564
    7   3HB   ALA   1           HB1      ALA   1 -16.615  -0.371   0.904
    8    H    THR   2           HN       THR   2 -15.576   3.268  -1.198
    9    HA   THR   2           HA       THR   2 -13.637   1.541  -2.539
   10    HB   THR   2           HB       THR   2 -14.353   3.437  -4.447
   11    HG1  THR   2           HG1      THR   2 -16.377   3.836  -4.167
   12   1HG2  THR   2          HG22      THR   2 -14.238   0.609  -4.129
   13   2HG2  THR   2          HG21      THR   2 -15.738   1.002  -4.970
   14   3HG2  THR   2          HG23      THR   2 -14.192   1.538  -5.628
   15    H    GLN   3           HN       GLN   3 -12.195   2.559  -1.035
   16    HA   GLN   3           HA       GLN   3 -11.940   5.537  -1.264
   17   1HB   GLN   3           HB2      GLN   3 -10.737   3.724   0.828
   18   2HB   GLN   3           HB1      GLN   3 -11.059   5.450   0.946
   19   1HG   GLN   3           HG2      GLN   3 -13.499   4.025   0.314
   20   2HG   GLN   3           HG1      GLN   3 -12.752   3.348   1.760
   21   1HE2  GLN   3          HE22      GLN   3 -14.867   6.516   2.420
   22   2HE2  GLN   3          HE21      GLN   3 -15.180   5.223   1.366
   23    H    THR   4           HN       THR   4  -9.660   6.361  -0.981
   24    HA   THR   4           HA       THR   4  -7.565   4.547  -2.080
   25    HB   THR   4           HB       THR   4  -8.311   7.275  -3.196
   26    HG1  THR   4           HG1      THR   4  -9.607   6.238  -4.459
   27   1HG2  THR   4          HG22      THR   4  -6.090   5.359  -3.648
   28   2HG2  THR   4          HG21      THR   4  -6.811   6.065  -5.095
   29   3HG2  THR   4          HG23      THR   4  -6.128   7.110  -3.851
   30    H    VAL   5           HN       VAL   5  -5.760   4.838  -0.838
   31    HA   VAL   5           HA       VAL   5  -5.300   7.519   0.446
   32    HB   VAL   5           HB       VAL   5  -4.614   4.864   1.699
   33   1HG1  VAL   5          HG13      VAL   5  -5.029   7.701   2.638
   34   2HG1  VAL   5          HG12      VAL   5  -5.061   6.347   3.767
   35   3HG1  VAL   5          HG11      VAL   5  -3.604   6.681   2.830
   36   1HG2  VAL   5          HG21      VAL   5  -7.281   6.052   1.288
   37   2HG2  VAL   5          HG23      VAL   5  -6.844   4.406   1.744
   38   3HG2  VAL   5          HG22      VAL   5  -6.921   5.670   2.972
   39    H    THR   6           HN       THR   6  -2.976   7.695   1.161
   40    HA   THR   6           HA       THR   6  -1.169   6.448  -0.860
   41    HB   THR   6           HB       THR   6  -1.573   9.004  -0.679
   42    HG1  THR   6           HG1      THR   6   1.121   8.329  -0.299
   43   1HG2  THR   6          HG22      THR   6  -1.310   8.781   1.915
   44   2HG2  THR   6          HG21      THR   6   0.417   8.851   1.565
   45   3HG2  THR   6          HG23      THR   6  -0.631  10.191   1.101
   46    H    LEU   7           HN       LEU   7   0.988   5.801   0.035
   47    HA   LEU   7           HA       LEU   7   0.824   5.308   2.984
   48   1HB   LEU   7           HB2      LEU   7   0.756   3.462   0.746
   49   2HB   LEU   7           HB1      LEU   7   2.127   3.113   1.793
   50    HG   LEU   7           HG       LEU   7   0.703   2.922   3.711
   51   1HD1  LEU   7          HD11      LEU   7  -1.318   4.157   1.886
   52   2HD1  LEU   7          HD13      LEU   7  -1.854   3.151   3.233
   53   3HD1  LEU   7          HD12      LEU   7  -0.887   4.588   3.535
   54   1HD2  LEU   7          HD21      LEU   7   0.376   1.295   1.385
   55   2HD2  LEU   7          HD23      LEU   7   0.152   0.824   3.068
   56   3HD2  LEU   7          HD22      LEU   7  -1.207   1.459   2.145
   57    H    ALA   8           HN       ALA   8   2.807   5.123   4.039
   58    HA   ALA   8           HA       ALA   8   5.230   5.965   2.474
   59   1HB   ALA   8           HB3      ALA   8   4.067   6.871   5.108
   60   2HB   ALA   8           HB2      ALA   8   5.788   7.070   4.778
   61   3HB   ALA   8           HB1      ALA   8   4.595   7.858   3.745
   62    H    VAL   9           HN       VAL   9   6.260   3.942   2.378
   63    HA   VAL   9           HA       VAL   9   6.530   2.428   4.951
   64    HB   VAL   9           HB       VAL   9   5.442   1.182   3.211
   65   1HG1  VAL   9          HG11      VAL   9   7.320   2.651   1.522
   66   2HG1  VAL   9          HG13      VAL   9   7.195   0.950   1.084
   67   3HG1  VAL   9          HG12      VAL   9   5.751   1.962   1.118
   68   1HG2  VAL   9          HG22      VAL   9   8.181   0.496   4.009
   69   2HG2  VAL   9          HG21      VAL   9   6.734  -0.509   3.982
   70   3HG2  VAL   9          HG23      VAL   9   7.681  -0.287   2.511
   71    HA   PRO  10           HA       PRO  10  10.736   4.204   4.354
   72   1HB   PRO  10           HB2      PRO  10  11.168   3.831   7.140
   73   2HB   PRO  10           HB1      PRO  10  10.799   5.349   6.314
   74   1HG   PRO  10           HG2      PRO  10   9.088   3.772   8.051
   75   2HG   PRO  10           HG1      PRO  10   8.800   5.379   7.378
   76   1HD   PRO  10           HD2      PRO  10   7.547   2.923   6.598
   77   2HD   PRO  10           HD1      PRO  10   7.355   4.522   5.839
   78    H    GLY  11           HN       GLY  11   9.436   1.227   5.455
   79   1HA   GLY  11           HA2      GLY  11  11.869  -0.121   6.202
   80   2HA   GLY  11           HA1      GLY  11  10.364  -0.912   5.728
   81    H    MET  12           HN       MET  12  10.846   1.088   3.239
   82    HA   MET  12           HA       MET  12  12.768  -0.705   1.821
   83   1HB   MET  12           HB2      MET  12  11.090  -0.581  -0.106
   84   2HB   MET  12           HB1      MET  12  10.596  -1.549   1.281
   85   1HG   MET  12           HG2      MET  12   8.704  -0.210   0.756
   86   2HG   MET  12           HG1      MET  12   9.446   0.574   2.147
   87   1HE   MET  12           HE3      MET  12   7.861   0.694  -0.728
   88   2HE   MET  12           HE2      MET  12   7.557   2.420  -0.569
   89   3HE   MET  12           HE1      MET  12   8.532   1.827  -1.908
   90    H    THR  13           HN       THR  13  13.674   0.282  -0.089
   91    HA   THR  13           HA       THR  13  13.189   2.945  -0.998
   92    HB   THR  13           HB       THR  13  13.952   3.395   1.347
   93    HG1  THR  13           HG1      THR  13  15.959   4.172  -0.474
   94   1HG2  THR  13          HG23      THR  13  15.594   1.300   1.046
   95   2HG2  THR  13          HG22      THR  13  16.721   2.584   0.611
   96   3HG2  THR  13          HG21      THR  13  15.936   2.598   2.191
   97    H    CYS  14           HN       CYS  14  13.920   0.248  -1.941
   98    HA   CYS  14           HA       CYS  14  16.059   0.983  -3.809
   99   1HB   CYS  14           HB2      CYS  14  17.751  -0.047  -2.692
  100   2HB   CYS  14           HB1      CYS  14  16.670  -0.152  -1.310
  101    H    ALA  15           HN       ALA  15  15.448   0.037  -5.740
  102    HA   ALA  15           HA       ALA  15  13.218  -1.383  -6.370
  103   1HB   ALA  15           HB3      ALA  15  14.940  -0.605  -7.945
  104   2HB   ALA  15           HB2      ALA  15  16.016  -1.898  -7.419
  105   3HB   ALA  15           HB1      ALA  15  14.522  -2.287  -8.272
  106    H    ALA  16           HN       ALA  16  12.746  -2.769  -4.481
  107    HA   ALA  16           HA       ALA  16  13.230  -5.548  -4.909
  108   1HB   ALA  16           HB3      ALA  16  15.448  -4.258  -3.934
  109   2HB   ALA  16           HB2      ALA  16  14.675  -4.786  -2.439
  110   3HB   ALA  16           HB1      ALA  16  15.112  -5.970  -3.672
  111    H    CYS  17           HN       CYS  17  13.243  -3.578  -1.934
  112    HA   CYS  17           HA       CYS  17  11.000  -5.094  -0.792
  113   1HB   CYS  17           HB2      CYS  17  12.196  -2.564   0.335
  114   2HB   CYS  17           HB1      CYS  17  11.567  -3.961   1.192
  115    HA   PRO  18           HA       PRO  18   9.069  -0.568  -1.272
  116   1HB   PRO  18           HB2      PRO  18  10.265   0.010  -3.902
  117   2HB   PRO  18           HB1      PRO  18  10.065   1.089  -2.518
  118   1HG   PRO  18           HG2      PRO  18  12.466   0.078  -3.334
  119   2HG   PRO  18           HG1      PRO  18  12.118   0.570  -1.671
  120   1HD   PRO  18           HD2      PRO  18  12.461  -2.139  -2.776
  121   2HD   PRO  18           HD1      PRO  18  12.566  -1.595  -1.087
  122    H    ILE  19           HN       ILE  19  10.018  -2.055  -4.363
  123    HA   ILE  19           HA       ILE  19   7.522  -2.046  -5.675
  124    HB   ILE  19           HB       ILE  19   9.898  -3.920  -5.672
  125   1HG1  ILE  19          HG12      ILE  19   8.910  -1.843  -7.654
  126   2HG1  ILE  19          HG11      ILE  19  10.229  -1.612  -6.505
  127   1HG2  ILE  19          HG21      ILE  19   7.277  -4.324  -6.859
  128   2HG2  ILE  19          HG23      ILE  19   8.530  -4.233  -8.096
  129   3HG2  ILE  19          HG22      ILE  19   8.656  -5.422  -6.800
  130   1HD1  ILE  19          HD12      ILE  19  10.917  -3.980  -7.754
  131   2HD1  ILE  19          HD11      ILE  19  10.228  -3.027  -9.068
  132   3HD1  ILE  19          HD13      ILE  19  11.583  -2.392  -8.136
  133    H    THR  20           HN       THR  20   8.709  -4.149  -3.099
  134    HA   THR  20           HA       THR  20   6.763  -6.260  -3.385
  135    HB   THR  20           HB       THR  20   8.229  -5.301  -0.899
  136    HG1  THR  20           HG1      THR  20   9.612  -7.179  -1.909
  137   1HG2  THR  20          HG21      THR  20   7.186  -8.000  -1.806
  138   2HG2  THR  20          HG23      THR  20   8.176  -7.744  -0.368
  139   3HG2  THR  20          HG22      THR  20   6.568  -7.027  -0.471
  140    H    VAL  21           HN       VAL  21   6.838  -3.151  -1.784
  141    HA   VAL  21           HA       VAL  21   4.536  -3.466  -0.133
  142    HB   VAL  21           HB       VAL  21   5.924  -1.097  -1.422
  143   1HG1  VAL  21          HG11      VAL  21   3.568  -1.225   0.454
  144   2HG1  VAL  21          HG13      VAL  21   4.656   0.163   0.464
  145   3HG1  VAL  21          HG12      VAL  21   3.768  -0.250  -1.002
  146   1HG2  VAL  21          HG23      VAL  21   6.222  -2.652   1.079
  147   2HG2  VAL  21          HG22      VAL  21   7.420  -1.712   0.189
  148   3HG2  VAL  21          HG21      VAL  21   6.289  -0.901   1.273
  149    H    LYS  22           HN       LYS  22   5.086  -2.573  -3.493
  150    HA   LYS  22           HA       LYS  22   2.411  -1.673  -4.043
  151   1HB   LYS  22           HB2      LYS  22   4.314  -1.046  -5.435
  152   2HB   LYS  22           HB1      LYS  22   4.665  -2.742  -5.772
  153   1HG   LYS  22           HG2      LYS  22   3.031  -2.896  -7.348
  154   2HG   LYS  22           HG1      LYS  22   1.904  -1.917  -6.409
  155   1HD   LYS  22           HD2      LYS  22   3.047   0.127  -7.090
  156   2HD   LYS  22           HD1      LYS  22   4.273  -0.811  -7.944
  157   1HE   LYS  22           HE2      LYS  22   1.835  -1.755  -8.966
  158   2HE   LYS  22           HE1      LYS  22   1.639   0.006  -8.869
  159   1HZ   LYS  22           HZ3      LYS  22   3.880   0.204  -9.874
  160   2HZ   LYS  22           HZ2      LYS  22   3.888  -1.476 -10.125
  161   3HZ   LYS  22           HZ1      LYS  22   2.742  -0.501 -10.915
  162    H    LYS  23           HN       LYS  23   4.097  -4.759  -4.088
  163    HA   LYS  23           HA       LYS  23   1.962  -6.209  -5.391
  164   1HB   LYS  23           HB2      LYS  23   4.232  -7.159  -3.622
  165   2HB   LYS  23           HB1      LYS  23   3.322  -8.156  -4.755
  166   1HG   LYS  23           HG2      LYS  23   5.325  -5.990  -5.333
  167   2HG   LYS  23           HG1      LYS  23   5.240  -7.621  -5.991
  168   1HD   LYS  23           HD2      LYS  23   2.994  -6.856  -7.038
  169   2HD   LYS  23           HD1      LYS  23   3.558  -5.220  -6.696
  170   1HE   LYS  23           HE2      LYS  23   4.613  -5.371  -8.719
  171   2HE   LYS  23           HE1      LYS  23   5.784  -6.399  -7.868
  172   1HZ   LYS  23           HZ3      LYS  23   3.920  -8.182  -8.246
  173   2HZ   LYS  23           HZ2      LYS  23   3.510  -7.175  -9.552
  174   3HZ   LYS  23           HZ1      LYS  23   5.064  -7.857  -9.455
  175    H    ALA  24           HN       ALA  24   2.785  -5.338  -2.147
  176    HA   ALA  24           HA       ALA  24   1.174  -7.155  -0.680
  177   1HB   ALA  24           HB2      ALA  24   3.020  -5.427  -0.010
  178   2HB   ALA  24           HB1      ALA  24   1.675  -4.293   0.106
  179   3HB   ALA  24           HB3      ALA  24   1.703  -5.733   1.123
  180    H    LEU  25           HN       LEU  25   0.498  -3.863  -1.907
  181    HA   LEU  25           HA       LEU  25  -2.264  -3.858  -0.971
  182   1HB   LEU  25           HB2      LEU  25  -1.072  -2.238  -3.234
  183   2HB   LEU  25           HB1      LEU  25  -2.356  -1.763  -2.124
  184    HG   LEU  25           HG       LEU  25   0.001  -2.464  -0.623
  185   1HD1  LEU  25          HD11      LEU  25   0.991  -1.804  -2.903
  186   2HD1  LEU  25          HD13      LEU  25   0.424  -0.175  -2.543
  187   3HD1  LEU  25          HD12      LEU  25   1.606  -0.952  -1.488
  188   1HD2  LEU  25          HD23      LEU  25  -2.032  -0.392  -0.817
  189   2HD2  LEU  25          HD22      LEU  25  -1.097  -0.904   0.589
  190   3HD2  LEU  25          HD21      LEU  25  -0.441   0.308  -0.513
  191    H    SER  26           HN       SER  26  -0.581  -4.744  -3.932
  192    HA   SER  26           HA       SER  26  -2.861  -5.039  -5.643
  193   1HB   SER  26           HB2      SER  26  -0.421  -4.927  -6.280
  194   2HB   SER  26           HB1      SER  26  -0.224  -6.548  -5.621
  195    HG   SER  26           HG       SER  26  -1.292  -5.730  -7.991
  196    H    LYS  27           HN       LYS  27  -1.620  -6.863  -2.980
  197    HA   LYS  27           HA       LYS  27  -3.549  -9.036  -3.633
  198   1HB   LYS  27           HB2      LYS  27  -1.919 -10.600  -2.707
  199   2HB   LYS  27           HB1      LYS  27  -1.131  -9.614  -3.940
  200   1HG   LYS  27           HG2      LYS  27   0.401  -9.512  -2.164
  201   2HG   LYS  27           HG1      LYS  27  -0.540  -8.038  -1.940
  202   1HD   LYS  27           HD2      LYS  27  -1.359  -8.741   0.030
  203   2HD   LYS  27           HD1      LYS  27  -1.781 -10.320  -0.630
  204   1HE   LYS  27           HE2      LYS  27   1.043 -10.290  -0.493
  205   2HE   LYS  27           HE1      LYS  27   0.466  -9.626   1.050
  206   1HZ   LYS  27           HZ3      LYS  27  -0.651 -12.065  -0.224
  207   2HZ   LYS  27           HZ2      LYS  27   0.538 -12.099   0.990
  208   3HZ   LYS  27           HZ1      LYS  27  -1.004 -11.466   1.323
  209    H    VAL  28           HN       VAL  28  -3.179  -6.494  -1.634
  210    HA   VAL  28           HA       VAL  28  -3.239  -7.381   1.014
  211    HB   VAL  28           HB       VAL  28  -3.257  -5.026   0.230
  212   1HG1  VAL  28          HG13      VAL  28  -5.027  -5.386  -1.527
  213   2HG1  VAL  28          HG12      VAL  28  -6.221  -5.440  -0.229
  214   3HG1  VAL  28          HG11      VAL  28  -5.294  -3.968  -0.513
  215   1HG2  VAL  28          HG22      VAL  28  -4.633  -6.130   2.455
  216   2HG2  VAL  28          HG21      VAL  28  -3.928  -4.520   2.314
  217   3HG2  VAL  28          HG23      VAL  28  -5.611  -4.788   1.861
  218    H    GLU  29           HN       GLU  29  -6.134  -7.051  -1.118
  219    HA   GLU  29           HA       GLU  29  -7.402  -9.442  -0.479
  220   1HB   GLU  29           HB2      GLU  29  -8.982  -8.574   1.353
  221   2HB   GLU  29           HB1      GLU  29  -7.338  -8.946   1.846
  222   1HG   GLU  29           HG2      GLU  29  -6.939  -6.385   1.239
  223   2HG   GLU  29           HG1      GLU  29  -8.673  -6.288   1.533
  224    H    GLY  30           HN       GLY  30  -8.233  -5.943  -0.463
  225   1HA   GLY  30           HA2      GLY  30 -10.319  -6.591  -2.509
  226   2HA   GLY  30           HA1      GLY  30 -10.601  -5.413  -1.232
  227    H    VAL  31           HN       VAL  31  -7.410  -5.088  -2.130
  228    HA   VAL  31           HA       VAL  31  -7.526  -2.502  -3.136
  229    HB   VAL  31           HB       VAL  31  -5.683  -4.757  -3.152
  230   1HG1  VAL  31          HG12      VAL  31  -5.723  -2.943  -5.565
  231   2HG1  VAL  31          HG11      VAL  31  -4.224  -3.676  -4.992
  232   3HG1  VAL  31          HG13      VAL  31  -5.562  -4.699  -5.516
  233   1HG2  VAL  31          HG23      VAL  31  -5.840  -2.074  -2.293
  234   2HG2  VAL  31          HG22      VAL  31  -4.518  -3.205  -2.008
  235   3HG2  VAL  31          HG21      VAL  31  -4.481  -2.143  -3.414
  236    H    SER  32           HN       SER  32  -8.312  -1.578  -4.918
  237    HA   SER  32           HA       SER  32  -9.213  -3.336  -7.158
  238   1HB   SER  32           HB2      SER  32 -10.220  -0.905  -5.774
  239   2HB   SER  32           HB1      SER  32 -10.485  -0.966  -7.514
  240    HG   SER  32           HG       SER  32 -11.386  -2.706  -5.488
  241    H    LYS  33           HN       LYS  33  -6.982  -0.958  -6.193
  242    HA   LYS  33           HA       LYS  33  -5.822  -0.850  -8.888
  243   1HB   LYS  33           HB2      LYS  33  -7.396   0.789  -9.386
  244   2HB   LYS  33           HB1      LYS  33  -7.505   1.336  -7.720
  245   1HG   LYS  33           HG2      LYS  33  -6.378   3.075  -8.886
  246   2HG   LYS  33           HG1      LYS  33  -5.113   2.218  -8.010
  247   1HD   LYS  33           HD2      LYS  33  -4.056   1.886  -9.974
  248   2HD   LYS  33           HD1      LYS  33  -5.407   0.870 -10.479
  249   1HE   LYS  33           HE2      LYS  33  -6.340   3.504 -10.794
  250   2HE   LYS  33           HE1      LYS  33  -4.679   3.519 -11.421
  251   1HZ   LYS  33           HZ1      LYS  33  -5.334   1.290 -12.474
  252   2HZ   LYS  33           HZ3      LYS  33  -6.936   1.788 -12.220
  253   3HZ   LYS  33           HZ2      LYS  33  -5.906   2.713 -13.205
  254    H    VAL  34           HN       VAL  34  -3.754   0.467  -8.825
  255    HA   VAL  34           HA       VAL  34  -2.781   1.150  -6.110
  256    HB   VAL  34           HB       VAL  34  -2.454  -1.267  -6.329
  257   1HG1  VAL  34          HG13      VAL  34  -2.352  -0.990  -8.941
  258   2HG1  VAL  34          HG12      VAL  34  -0.620  -0.802  -8.665
  259   3HG1  VAL  34          HG11      VAL  34  -1.436  -2.285  -8.171
  260   1HG2  VAL  34          HG23      VAL  34  -0.607   0.437  -5.463
  261   2HG2  VAL  34          HG22      VAL  34  -0.246  -1.283  -5.608
  262   3HG2  VAL  34          HG21      VAL  34   0.281  -0.163  -6.864
  263    H    ASP  35           HN       ASP  35  -0.640   2.179  -6.183
  264    HA   ASP  35           HA       ASP  35   0.626   2.893  -8.702
  265   1HB   ASP  35           HB2      ASP  35  -1.412   4.645  -7.367
  266   2HB   ASP  35           HB1      ASP  35  -0.012   5.422  -8.107
  267    H    VAL  36           HN       VAL  36   2.284   1.969  -7.205
  268    HA   VAL  36           HA       VAL  36   3.075   3.797  -4.978
  269    HB   VAL  36           HB       VAL  36   3.893   0.956  -5.648
  270   1HG1  VAL  36          HG11      VAL  36   4.496   2.863  -3.441
  271   2HG1  VAL  36          HG13      VAL  36   4.228   1.180  -2.997
  272   3HG1  VAL  36          HG12      VAL  36   5.504   1.598  -4.139
  273   1HG2  VAL  36          HG22      VAL  36   1.608   2.111  -4.070
  274   2HG2  VAL  36          HG21      VAL  36   1.605   0.758  -5.200
  275   3HG2  VAL  36          HG23      VAL  36   2.307   0.563  -3.595
  276    H    GLY  37           HN       GLY  37   5.420   4.056  -4.650
  277   1HA   GLY  37           HA2      GLY  37   6.999   3.971  -7.172
  278   2HA   GLY  37           HA1      GLY  37   7.047   5.376  -6.100
  279    H    PHE  38           HN       PHE  38   8.406   2.324  -6.733
  280    HA   PHE  38           HA       PHE  38   9.147   1.349  -4.262
  281   1HB   PHE  38           HB2      PHE  38  11.216   0.562  -5.642
  282   2HB   PHE  38           HB1      PHE  38   9.610   0.064  -6.161
  283    HD1  PHE  38           HD2      PHE  38  10.501   3.582  -6.642
  284    HD2  PHE  38           HD1      PHE  38  10.561  -0.320  -8.440
  285    HE1  PHE  38           HE2      PHE  38  10.893   4.610  -8.861
  286    HE2  PHE  38           HE1      PHE  38  10.954   0.711 -10.659
  287    HZ   PHE  38           HZ       PHE  38  11.121   3.176 -10.871
  288    H    GLU  39           HN       GLU  39  12.037   2.344  -5.816
  289    HA   GLU  39           HA       GLU  39  13.661   3.208  -3.940
  290   1HB   GLU  39           HB2      GLU  39  12.900   4.597  -6.500
  291   2HB   GLU  39           HB1      GLU  39  14.229   5.201  -5.511
  292   1HG   GLU  39           HG2      GLU  39  15.505   3.256  -5.803
  293   2HG   GLU  39           HG1      GLU  39  14.099   2.287  -6.249
  294    H    LYS  40           HN       LYS  40  11.531   5.807  -5.221
  295    HA   LYS  40           HA       LYS  40  11.928   7.758  -3.312
  296   1HB   LYS  40           HB2      LYS  40  10.379   7.692  -5.351
  297   2HB   LYS  40           HB1      LYS  40   9.181   6.944  -4.294
  298   1HG   LYS  40           HG2      LYS  40   8.982   9.461  -4.498
  299   2HG   LYS  40           HG1      LYS  40   9.144   8.867  -2.845
  300   1HD   LYS  40           HD2      LYS  40  11.320   9.647  -2.630
  301   2HD   LYS  40           HD1      LYS  40  11.626   9.578  -4.366
  302   1HE   LYS  40           HE2      LYS  40  11.402  11.930  -3.538
  303   2HE   LYS  40           HE1      LYS  40  10.138  11.520  -4.715
  304   1HZ   LYS  40           HZ1      LYS  40   9.781  11.097  -1.805
  305   2HZ   LYS  40           HZ3      LYS  40   9.358  12.560  -2.552
  306   3HZ   LYS  40           HZ2      LYS  40   8.590  11.118  -3.017
  307    H    ARG  41           HN       ARG  41   9.425   5.239  -3.052
  308    HA   ARG  41           HA       ARG  41   8.948   3.902  -1.093
  309   1HB   ARG  41           HB2      ARG  41  10.974   4.833   0.018
  310   2HB   ARG  41           HB1      ARG  41  10.037   6.262   0.453
  311   1HG   ARG  41           HG2      ARG  41   8.638   3.835   1.182
  312   2HG   ARG  41           HG1      ARG  41  10.228   3.901   1.934
  313   1HD   ARG  41           HD2      ARG  41   7.995   5.951   2.156
  314   2HD   ARG  41           HD1      ARG  41   8.759   5.031   3.463
  315    HE   ARG  41           HE       ARG  41  10.874   6.360   2.240
  316   1HH1  ARG  41          HH21      ARG  41   7.836   7.228   3.636
  317   2HH1  ARG  41          HH22      ARG  41   8.382   8.779   4.175
  318   1HH2  ARG  41          HH11      ARG  41  11.592   8.386   2.935
  319   2HH2  ARG  41          HH12      ARG  41  10.501   9.437   3.775
  320    H    GLU  42           HN       GLU  42   6.879   4.517  -2.152
  321    HA   GLU  42           HA       GLU  42   5.076   5.729  -0.191
  322   1HB   GLU  42           HB2      GLU  42   6.432   7.511  -1.717
  323   2HB   GLU  42           HB1      GLU  42   5.046   7.213  -2.767
  324   1HG   GLU  42           HG2      GLU  42   4.152   7.484  -0.045
  325   2HG   GLU  42           HG1      GLU  42   5.140   8.877  -0.485
  326    H    ALA  43           HN       ALA  43   3.367   4.256  -0.418
  327    HA   ALA  43           HA       ALA  43   2.723   3.333  -3.196
  328   1HB   ALA  43           HB1      ALA  43   3.381   1.696  -1.425
  329   2HB   ALA  43           HB3      ALA  43   1.982   2.204  -0.482
  330   3HB   ALA  43           HB2      ALA  43   1.752   1.411  -2.038
  331    H    VAL  44           HN       VAL  44   0.954   4.282  -4.104
  332    HA   VAL  44           HA       VAL  44  -1.203   5.286  -2.291
  333    HB   VAL  44           HB       VAL  44  -0.032   6.121  -4.919
  334   1HG1  VAL  44          HG12      VAL  44  -2.872   6.731  -4.036
  335   2HG1  VAL  44          HG11      VAL  44  -2.041   7.508  -5.383
  336   3HG1  VAL  44          HG13      VAL  44  -2.412   5.785  -5.451
  337   1HG2  VAL  44          HG21      VAL  44   0.461   7.158  -2.630
  338   2HG2  VAL  44          HG23      VAL  44  -0.019   8.279  -3.904
  339   3HG2  VAL  44          HG22      VAL  44  -1.186   7.788  -2.676
  340    H    VAL  45           HN       VAL  45  -2.913   3.909  -2.216
  341    HA   VAL  45           HA       VAL  45  -3.513   2.359  -4.722
  342    HB   VAL  45           HB       VAL  45  -3.083   1.523  -1.868
  343   1HG1  VAL  45          HG12      VAL  45  -5.313   0.634  -2.602
  344   2HG1  VAL  45          HG11      VAL  45  -4.506  -0.155  -3.956
  345   3HG1  VAL  45          HG13      VAL  45  -4.120  -0.629  -2.303
  346   1HG2  VAL  45          HG23      VAL  45  -1.303   1.484  -3.708
  347   2HG2  VAL  45          HG22      VAL  45  -1.560  -0.031  -2.843
  348   3HG2  VAL  45          HG21      VAL  45  -2.245   0.192  -4.452
  349    H    THR  46           HN       THR  46  -5.647   1.623  -4.937
  350    HA   THR  46           HA       THR  46  -7.723   3.093  -3.347
  351    HB   THR  46           HB       THR  46  -7.385   2.360  -6.253
  352    HG1  THR  46           HG1      THR  46  -8.487   4.621  -6.107
  353   1HG2  THR  46          HG21      THR  46  -9.953   2.683  -4.721
  354   2HG2  THR  46          HG23      THR  46  -9.866   3.157  -6.418
  355   3HG2  THR  46          HG22      THR  46  -9.541   1.488  -5.951
  356    H    PHE  47           HN       PHE  47  -9.747   1.748  -3.096
  357    HA   PHE  47           HA       PHE  47  -9.679  -1.064  -3.766
  358   1HB   PHE  47           HB2      PHE  47  -9.257  -1.862  -1.471
  359   2HB   PHE  47           HB1      PHE  47  -7.901  -0.884  -2.039
  360    HD1  PHE  47           HD2      PHE  47 -10.870  -0.953   0.171
  361    HD2  PHE  47           HD1      PHE  47  -7.474   1.340  -1.147
  362    HE1  PHE  47           HE2      PHE  47 -11.206   0.631   2.043
  363    HE2  PHE  47           HE1      PHE  47  -7.813   2.913   0.736
  364    HZ   PHE  47           HZ       PHE  47  -9.679   2.556   2.328
  365    H    ASP  48           HN       ASP  48 -11.280  -2.209  -2.106
  366    HA   ASP  48           HA       ASP  48 -13.679  -0.450  -1.958
  367   1HB   ASP  48           HB2      ASP  48 -14.941  -2.506  -2.197
  368   2HB   ASP  48           HB1      ASP  48 -13.655  -2.544  -3.403
  369    H    ASP  49           HN       ASP  49 -13.880   0.329   0.098
  370    HA   ASP  49           HA       ASP  49 -12.556  -0.775   2.372
  371   1HB   ASP  49           HB2      ASP  49 -13.099   1.466   2.573
  372   2HB   ASP  49           HB1      ASP  49 -14.671   1.263   1.804
  373    H    THR  50           HN       THR  50 -15.324  -1.905   0.757
  374    HA   THR  50           HA       THR  50 -16.931  -2.871   2.915
  375    HB   THR  50           HB       THR  50 -17.642  -2.766   0.569
  376    HG1  THR  50           HG1      THR  50 -18.784  -4.295   1.557
  377   1HG2  THR  50          HG22      THR  50 -15.114  -4.082   0.175
  378   2HG2  THR  50          HG21      THR  50 -16.399  -5.055  -0.542
  379   3HG2  THR  50          HG23      THR  50 -16.188  -3.374  -1.031
  380    H    LYS  51           HN       LYS  51 -13.886  -3.966   1.589
  381    HA   LYS  51           HA       LYS  51 -13.929  -6.274   3.490
  382   1HB   LYS  51           HB2      LYS  51 -13.665  -6.171   0.598
  383   2HB   LYS  51           HB1      LYS  51 -12.265  -6.948   1.339
  384   1HG   LYS  51           HG2      LYS  51 -13.608  -8.591   2.411
  385   2HG   LYS  51           HG1      LYS  51 -15.093  -7.688   2.101
  386   1HD   LYS  51           HD2      LYS  51 -15.307  -9.071   0.311
  387   2HD   LYS  51           HD1      LYS  51 -14.113  -8.009  -0.437
  388   1HE   LYS  51           HE2      LYS  51 -12.870  -9.910  -0.680
  389   2HE   LYS  51           HE1      LYS  51 -12.535  -9.735   1.054
  390   1HZ   LYS  51           HZ2      LYS  51 -14.954 -10.801   1.152
  391   2HZ   LYS  51           HZ1      LYS  51 -14.417 -11.503  -0.299
  392   3HZ   LYS  51           HZ3      LYS  51 -13.542 -11.746   1.134
  393    H    ALA  52           HN       ALA  52 -11.993  -3.973   1.682
  394    HA   ALA  52           HA       ALA  52  -9.689  -4.450   3.531
  395   1HB   ALA  52           HB1      ALA  52  -9.491  -4.691   0.999
  396   2HB   ALA  52           HB3      ALA  52  -9.757  -2.950   0.898
  397   3HB   ALA  52           HB2      ALA  52  -8.339  -3.579   1.738
  398    H    SER  53           HN       SER  53  -8.368  -2.084   3.341
  399    HA   SER  53           HA       SER  53  -9.964   0.289   3.569
  400   1HB   SER  53           HB2      SER  53 -10.921  -0.875   5.472
  401   2HB   SER  53           HB1      SER  53  -9.318  -1.270   6.087
  402    HG   SER  53           HG       SER  53 -10.048   1.408   5.620
  403    H    VAL  54           HN       VAL  54  -8.632   2.118   4.200
  404    HA   VAL  54           HA       VAL  54  -5.994   2.220   3.403
  405    HB   VAL  54           HB       VAL  54  -7.340   4.163   4.021
  406   1HG1  VAL  54          HG12      VAL  54  -8.444   2.977   5.971
  407   2HG1  VAL  54          HG11      VAL  54  -6.980   3.298   6.901
  408   3HG1  VAL  54          HG13      VAL  54  -7.954   4.639   6.300
  409   1HG2  VAL  54          HG21      VAL  54  -4.849   3.805   5.710
  410   2HG2  VAL  54          HG23      VAL  54  -4.947   4.512   4.097
  411   3HG2  VAL  54          HG22      VAL  54  -5.661   5.353   5.473
  412    H    GLN  55           HN       GLN  55  -7.193   1.310   6.629
  413    HA   GLN  55           HA       GLN  55  -4.657   1.002   7.912
  414   1HB   GLN  55           HB2      GLN  55  -6.816   1.101   9.071
  415   2HB   GLN  55           HB1      GLN  55  -7.332  -0.389   8.281
  416   1HG   GLN  55           HG2      GLN  55  -5.357  -1.541   9.361
  417   2HG   GLN  55           HG1      GLN  55  -5.090  -0.066  10.291
  418   1HE2  GLN  55          HE22      GLN  55  -7.266  -1.478  12.708
  419   2HE2  GLN  55          HE21      GLN  55  -5.679  -0.990  12.355
  420    H    LYS  56           HN       LYS  56  -6.711  -1.326   6.133
  421    HA   LYS  56           HA       LYS  56  -4.963  -3.580   6.468
  422   1HB   LYS  56           HB2      LYS  56  -7.077  -2.857   4.419
  423   2HB   LYS  56           HB1      LYS  56  -6.375  -4.466   4.583
  424   1HG   LYS  56           HG2      LYS  56  -7.108  -4.465   6.991
  425   2HG   LYS  56           HG1      LYS  56  -7.955  -2.949   6.679
  426   1HD   LYS  56           HD2      LYS  56  -9.579  -3.956   5.397
  427   2HD   LYS  56           HD1      LYS  56  -8.490  -5.218   4.818
  428   1HE   LYS  56           HE2      LYS  56 -10.165  -6.177   6.367
  429   2HE   LYS  56           HE1      LYS  56  -8.548  -6.262   7.096
  430   1HZ   LYS  56           HZ2      LYS  56 -10.032  -3.786   7.487
  431   2HZ   LYS  56           HZ1      LYS  56 -10.607  -5.142   8.334
  432   3HZ   LYS  56           HZ3      LYS  56  -9.010  -4.618   8.559
  433    H    LEU  57           HN       LEU  57  -4.876  -0.834   4.240
  434    HA   LEU  57           HA       LEU  57  -3.222  -2.126   2.228
  435   1HB   LEU  57           HB2      LEU  57  -3.448   0.809   2.981
  436   2HB   LEU  57           HB1      LEU  57  -2.939   0.160   1.424
  437    HG   LEU  57           HG       LEU  57  -5.678  -0.318   2.633
  438   1HD1  LEU  57          HD11      LEU  57  -4.759   2.098   1.752
  439   2HD1  LEU  57          HD13      LEU  57  -5.398   1.412   0.258
  440   3HD1  LEU  57          HD12      LEU  57  -6.445   1.588   1.666
  441   1HD2  LEU  57          HD23      LEU  57  -4.421  -1.753   0.688
  442   2HD2  LEU  57          HD22      LEU  57  -6.168  -1.516   0.741
  443   3HD2  LEU  57          HD21      LEU  57  -5.170  -0.488  -0.287
  444    H    THR  58           HN       THR  58  -2.523   0.140   4.899
  445    HA   THR  58           HA       THR  58   0.339   0.004   4.701
  446    HB   THR  58           HB       THR  58  -1.143   0.450   7.276
  447    HG1  THR  58           HG1      THR  58  -1.154   2.214   5.055
  448   1HG2  THR  58          HG22      THR  58   1.412   0.777   6.732
  449   2HG2  THR  58          HG21      THR  58   0.858   2.287   6.006
  450   3HG2  THR  58          HG23      THR  58   0.561   1.968   7.715
  451    H    LYS  59           HN       LYS  59  -2.093  -2.106   5.946
  452    HA   LYS  59           HA       LYS  59  -0.305  -3.601   7.731
  453   1HB   LYS  59           HB2      LYS  59  -3.144  -3.486   6.948
  454   2HB   LYS  59           HB1      LYS  59  -2.563  -5.125   7.243
  455   1HG   LYS  59           HG2      LYS  59  -1.800  -4.528   9.457
  456   2HG   LYS  59           HG1      LYS  59  -2.140  -2.822   9.166
  457   1HD   LYS  59           HD2      LYS  59  -4.305  -3.080   9.736
  458   2HD   LYS  59           HD1      LYS  59  -4.485  -4.457   8.647
  459   1HE   LYS  59           HE2      LYS  59  -3.576  -5.973  10.329
  460   2HE   LYS  59           HE1      LYS  59  -3.243  -4.610  11.417
  461   1HZ   LYS  59           HZ3      LYS  59  -5.933  -4.724  10.339
  462   2HZ   LYS  59           HZ2      LYS  59  -5.544  -5.971  11.425
  463   3HZ   LYS  59           HZ1      LYS  59  -5.410  -4.348  11.908
  464    H    ALA  60           HN       ALA  60  -1.360  -3.651   4.392
  465    HA   ALA  60           HA       ALA  60  -0.604  -6.389   3.818
  466   1HB   ALA  60           HB3      ALA  60  -1.411  -3.910   2.390
  467   2HB   ALA  60           HB2      ALA  60  -0.456  -5.051   1.442
  468   3HB   ALA  60           HB1      ALA  60  -1.980  -5.564   2.165
  469    H    THR  61           HN       THR  61   1.035  -3.228   3.465
  470    HA   THR  61           HA       THR  61   3.513  -4.459   2.480
  471    HB   THR  61           HB       THR  61   2.742  -2.135   1.993
  472    HG1  THR  61           HG1      THR  61   5.059  -1.762   3.468
  473   1HG2  THR  61          HG23      THR  61   1.766  -1.699   4.235
  474   2HG2  THR  61          HG22      THR  61   3.395  -1.651   4.909
  475   3HG2  THR  61          HG21      THR  61   2.887  -0.431   3.741
  476    H    ALA  62           HN       ALA  62   2.192  -3.258   5.533
  477    HA   ALA  62           HA       ALA  62   4.527  -3.623   7.141
  478   1HB   ALA  62           HB3      ALA  62   1.543  -3.586   7.587
  479   2HB   ALA  62           HB2      ALA  62   2.635  -3.915   8.931
  480   3HB   ALA  62           HB1      ALA  62   2.736  -2.380   8.067
  481    H    ASP  63           HN       ASP  63   2.187  -5.790   5.732
  482    HA   ASP  63           HA       ASP  63   3.001  -8.077   7.418
  483   1HB   ASP  63           HB2      ASP  63   0.967  -7.440   5.319
  484   2HB   ASP  63           HB1      ASP  63   1.428  -9.132   5.514
  485    H    ALA  64           HN       ALA  64   3.808  -6.586   4.367
  486    HA   ALA  64           HA       ALA  64   5.032  -8.947   3.169
  487   1HB   ALA  64           HB3      ALA  64   4.170  -6.562   2.248
  488   2HB   ALA  64           HB2      ALA  64   5.873  -6.165   2.482
  489   3HB   ALA  64           HB1      ALA  64   5.415  -7.489   1.411
  490    H    GLY  65           HN       GLY  65   5.852  -6.664   5.595
  491   1HA   GLY  65           HA2      GLY  65   7.785  -7.277   7.048
  492   2HA   GLY  65           HA1      GLY  65   8.668  -7.648   5.569
  493    H    TYR  66           HN       TYR  66   6.543  -4.895   5.751
  494    HA   TYR  66           HA       TYR  66   8.915  -3.083   5.985
  495   1HB   TYR  66           HB2      TYR  66   6.678  -2.927   3.937
  496   2HB   TYR  66           HB1      TYR  66   8.116  -1.906   4.006
  497    HD1  TYR  66           HD1      TYR  66  10.298  -3.648   4.535
  498    HD2  TYR  66           HD2      TYR  66   6.845  -4.394   2.083
  499    HE1  TYR  66           HE1      TYR  66  11.585  -5.317   3.228
  500    HE2  TYR  66           HE2      TYR  66   8.133  -6.061   0.791
  501    HH   TYR  66           HH       TYR  66  11.284  -7.146   1.793
  502    HA   PRO  67           HA       PRO  67   5.632  -1.765   8.949
  503   1HB   PRO  67           HB2      PRO  67   7.767  -0.180  10.101
  504   2HB   PRO  67           HB1      PRO  67   6.922  -1.562  10.806
  505   1HG   PRO  67           HG2      PRO  67   9.598  -1.486   9.796
  506   2HG   PRO  67           HG1      PRO  67   8.728  -2.879  10.447
  507   1HD   PRO  67           HD2      PRO  67   9.470  -2.395   7.708
  508   2HD   PRO  67           HD1      PRO  67   8.550  -3.775   8.358
  509    H    SER  68           HN       SER  68   4.602  -0.478   7.307
  510    HA   SER  68           HA       SER  68   5.834   2.198   6.759
  511   1HB   SER  68           HB2      SER  68   4.703   2.093   4.707
  512   2HB   SER  68           HB1      SER  68   5.122   0.406   4.992
  513    HG   SER  68           HG       SER  68   2.670   1.662   4.983
  514    H    SER  69           HN       SER  69   3.566   3.539   5.966
  515    HA   SER  69           HA       SER  69   1.591   3.440   8.172
  516   1HB   SER  69           HB2      SER  69   3.745   4.880   8.642
  517   2HB   SER  69           HB1      SER  69   2.995   6.024   7.532
  518    HG   SER  69           HG       SER  69   1.690   6.553   9.079
  519    H    VAL  70           HN       VAL  70   0.186   5.702   7.635
  520    HA   VAL  70           HA       VAL  70  -0.218   5.745   4.686
  521    HB   VAL  70           HB       VAL  70  -1.572   4.074   6.014
  522   1HG1  VAL  70          HG13      VAL  70  -1.916   5.548   7.984
  523   2HG1  VAL  70          HG12      VAL  70  -2.924   6.606   6.996
  524   3HG1  VAL  70          HG11      VAL  70  -3.445   4.956   7.334
  525   1HG2  VAL  70          HG23      VAL  70  -2.279   5.728   3.872
  526   2HG2  VAL  70          HG22      VAL  70  -3.120   4.257   4.357
  527   3HG2  VAL  70          HG21      VAL  70  -3.661   5.826   4.956
  528    H    LYS  71           HN       LYS  71  -1.497   7.601   3.951
  529    HA   LYS  71           HA       LYS  71  -2.277   9.690   5.824
  530   1HB   LYS  71           HB2      LYS  71  -0.438  11.266   5.221
  531   2HB   LYS  71           HB1      LYS  71   0.151   9.831   6.059
  532   1HG   LYS  71           HG2      LYS  71   0.195   9.033   3.418
  533   2HG   LYS  71           HG1      LYS  71   0.666  10.730   3.312
  534   1HD   LYS  71           HD2      LYS  71   1.952   8.617   5.064
  535   2HD   LYS  71           HD1      LYS  71   2.661   9.360   3.630
  536   1HE   LYS  71           HE2      LYS  71   1.734  11.134   5.875
  537   2HE   LYS  71           HE1      LYS  71   3.297  10.304   6.008
  538   1HZ   LYS  71           HZ1      LYS  71   2.502  11.744   3.549
  539   2HZ   LYS  71           HZ3      LYS  71   3.285  12.542   4.824
  540   3HZ   LYS  71           HZ2      LYS  71   4.056  11.254   4.029
  541    H    GLN  72           HN       GLN  72  -3.650   8.577   3.716
  542    HA   GLN  72           HA       GLN  72  -4.411   8.989   1.433
  543   1HB   GLN  72           HB2      GLN  72  -5.800   9.881   3.407
  544   2HB   GLN  72           HB1      GLN  72  -5.194  11.475   2.956
  545   1HG   GLN  72           HG2      GLN  72  -6.020  11.004   0.603
  546   2HG   GLN  72           HG1      GLN  72  -6.831   9.580   1.255
  547   1HE2  GLN  72          HE22      GLN  72  -9.509  11.974   1.570
  548   2HE2  GLN  72          HE21      GLN  72  -8.843  10.840   0.496
   
  No H/Q in entry =         548
  Start of MODEL   10
    1   1H    ALA   1           HT2      ALA   1  18.171   1.299   1.881
    2   2H    ALA   1           HT1      ALA   1  19.033   0.961   0.456
    3   3H    ALA   1           HT3      ALA   1  18.200   2.429   0.612
    4    HA   ALA   1           HA       ALA   1  16.707   1.269  -0.668
    5   1HB   ALA   1           HB3      ALA   1  17.794  -1.084   0.898
    6   2HB   ALA   1           HB2      ALA   1  16.479  -1.232  -0.267
    7   3HB   ALA   1           HB1      ALA   1  18.076  -0.711  -0.802
    8    H    THR   2           HN       THR   2  15.470   2.755   0.826
    9    HA   THR   2           HA       THR   2  13.467   1.282   2.308
   10    HB   THR   2           HB       THR   2  14.851   1.552   4.122
   11    HG1  THR   2           HG1      THR   2  12.902   2.670   4.502
   12   1HG2  THR   2          HG21      THR   2  15.806   4.032   2.725
   13   2HG2  THR   2          HG23      THR   2  16.135   3.798   4.441
   14   3HG2  THR   2          HG22      THR   2  16.745   2.639   3.261
   15    H    GLN   3           HN       GLN   3  12.042   2.122   0.783
   16    HA   GLN   3           HA       GLN   3  11.838   5.105   0.609
   17   1HB   GLN   3           HB2      GLN   3  10.591   3.059  -1.229
   18   2HB   GLN   3           HB1      GLN   3  10.946   4.748  -1.571
   19   1HG   GLN   3           HG2      GLN   3  13.135   2.763  -0.924
   20   2HG   GLN   3           HG1      GLN   3  12.549   3.005  -2.568
   21   1HE2  GLN   3          HE22      GLN   3  15.002   5.558  -2.785
   22   2HE2  GLN   3          HE21      GLN   3  14.531   4.015  -3.313
   23    H    THR   4           HN       THR   4   9.797   6.093   0.832
   24    HA   THR   4           HA       THR   4   7.588   4.358   1.887
   25    HB   THR   4           HB       THR   4   8.444   7.115   2.855
   26    HG1  THR   4           HG1      THR   4   9.037   4.502   3.701
   27   1HG2  THR   4          HG23      THR   4   6.410   5.101   3.839
   28   2HG2  THR   4          HG22      THR   4   6.946   6.488   4.788
   29   3HG2  THR   4          HG21      THR   4   6.100   6.737   3.260
   30    H    VAL   5           HN       VAL   5   5.850   4.602   0.544
   31    HA   VAL   5           HA       VAL   5   5.424   7.256  -0.809
   32    HB   VAL   5           HB       VAL   5   4.655   5.914  -2.740
   33   1HG1  VAL   5          HG11      VAL   5   7.293   6.215  -1.807
   34   2HG1  VAL   5          HG13      VAL   5   7.189   4.552  -2.384
   35   3HG1  VAL   5          HG12      VAL   5   6.789   5.886  -3.465
   36   1HG2  VAL   5          HG23      VAL   5   4.659   3.838  -0.738
   37   2HG2  VAL   5          HG22      VAL   5   4.020   3.780  -2.381
   38   3HG2  VAL   5          HG21      VAL   5   5.706   3.362  -2.075
   39    H    THR   6           HN       THR   6   3.124   7.438  -1.565
   40    HA   THR   6           HA       THR   6   1.263   6.334   0.494
   41    HB   THR   6           HB       THR   6   1.631   8.841   0.276
   42    HG1  THR   6           HG1      THR   6  -0.976   8.148  -0.536
   43   1HG2  THR   6          HG22      THR   6   1.427   8.229  -2.454
   44   2HG2  THR   6          HG21      THR   6  -0.043   9.120  -2.069
   45   3HG2  THR   6          HG23      THR   6   1.533   9.837  -1.738
   46    H    LEU   7           HN       LEU   7  -0.853   5.613  -0.405
   47    HA   LEU   7           HA       LEU   7  -0.660   4.971  -3.325
   48   1HB   LEU   7           HB2      LEU   7  -0.542   3.249  -1.027
   49   2HB   LEU   7           HB1      LEU   7  -1.996   2.873  -1.941
   50    HG   LEU   7           HG       LEU   7  -0.704   2.562  -3.954
   51   1HD1  LEU   7          HD12      LEU   7   1.336   3.966  -2.382
   52   2HD1  LEU   7          HD11      LEU   7   1.949   2.596  -3.307
   53   3HD1  LEU   7          HD13      LEU   7   1.100   3.901  -4.126
   54   1HD2  LEU   7          HD23      LEU   7   0.384   1.184  -1.495
   55   2HD2  LEU   7          HD22      LEU   7  -0.753   0.548  -2.685
   56   3HD2  LEU   7          HD21      LEU   7   0.945   0.758  -3.111
   57    H    ALA   8           HN       ALA   8  -2.645   4.740  -4.392
   58    HA   ALA   8           HA       ALA   8  -5.037   5.781  -2.898
   59   1HB   ALA   8           HB2      ALA   8  -3.616   6.690  -5.242
   60   2HB   ALA   8           HB1      ALA   8  -5.263   6.250  -5.691
   61   3HB   ALA   8           HB3      ALA   8  -4.984   7.448  -4.428
   62    H    VAL   9           HN       VAL   9  -6.309   3.960  -2.596
   63    HA   VAL   9           HA       VAL   9  -6.513   2.010  -4.870
   64    HB   VAL   9           HB       VAL   9  -7.238   1.674  -1.949
   65   1HG1  VAL   9          HG11      VAL   9  -8.006   0.088  -3.908
   66   2HG1  VAL   9          HG13      VAL   9  -6.343  -0.492  -3.821
   67   3HG1  VAL   9          HG12      VAL   9  -7.389  -0.603  -2.407
   68   1HG2  VAL   9          HG22      VAL   9  -4.669   2.106  -3.039
   69   2HG2  VAL   9          HG21      VAL   9  -5.050   1.490  -1.431
   70   3HG2  VAL   9          HG23      VAL   9  -4.786   0.368  -2.766
   71    HA   PRO  10           HA       PRO  10 -10.662   4.188  -4.562
   72   1HB   PRO  10           HB2      PRO  10 -10.829   4.256  -7.382
   73   2HB   PRO  10           HB1      PRO  10 -10.429   5.608  -6.316
   74   1HG   PRO  10           HG2      PRO  10  -8.676   4.097  -8.096
   75   2HG   PRO  10           HG1      PRO  10  -8.369   5.624  -7.263
   76   1HD   PRO  10           HD2      PRO  10  -7.275   3.076  -6.609
   77   2HD   PRO  10           HD1      PRO  10  -7.146   4.574  -5.660
   78    H    GLY  11           HN       GLY  11  -9.394   1.266  -5.833
   79   1HA   GLY  11           HA2      GLY  11 -11.511   0.122  -7.262
   80   2HA   GLY  11           HA1      GLY  11 -10.455  -0.806  -6.193
   81    H    MET  12           HN       MET  12 -11.110   0.398  -3.749
   82    HA   MET  12           HA       MET  12 -14.046   0.189  -3.413
   83   1HB   MET  12           HB2      MET  12 -11.983  -1.726  -2.289
   84   2HB   MET  12           HB1      MET  12 -13.631  -1.622  -1.670
   85   1HG   MET  12           HG2      MET  12 -12.825  -2.296  -4.514
   86   2HG   MET  12           HG1      MET  12 -13.481  -3.420  -3.325
   87   1HE   MET  12           HE3      MET  12 -15.313  -2.488  -1.826
   88   2HE   MET  12           HE2      MET  12 -15.796  -0.820  -2.122
   89   3HE   MET  12           HE1      MET  12 -16.904  -2.134  -2.514
   90    H    THR  13           HN       THR  13 -14.631   0.805  -1.108
   91    HA   THR  13           HA       THR  13 -12.593   1.831   0.684
   92    HB   THR  13           HB       THR  13 -12.302   3.461  -1.064
   93    HG1  THR  13           HG1      THR  13 -12.923   4.094   1.294
   94   1HG2  THR  13          HG23      THR  13 -14.600   2.898  -2.076
   95   2HG2  THR  13          HG22      THR  13 -15.251   4.092  -0.955
   96   3HG2  THR  13          HG21      THR  13 -14.074   4.578  -2.174
   97    H    CYS  14           HN       CYS  14 -13.735   1.196   2.516
   98    HA   CYS  14           HA       CYS  14 -16.079   2.735   3.267
   99   1HB   CYS  14           HB2      CYS  14 -17.763   1.150   2.967
  100   2HB   CYS  14           HB1      CYS  14 -16.748   0.831   1.567
  101    H    ALA  15           HN       ALA  15 -14.255  -0.275   3.907
  102    HA   ALA  15           HA       ALA  15 -13.421   0.521   6.513
  103   1HB   ALA  15           HB1      ALA  15 -16.055  -0.919   6.258
  104   2HB   ALA  15           HB3      ALA  15 -15.080  -1.099   7.717
  105   3HB   ALA  15           HB2      ALA  15 -15.661   0.495   7.236
  106    H    ALA  16           HN       ALA  16 -14.159  -2.050   4.247
  107    HA   ALA  16           HA       ALA  16 -12.054  -3.741   5.547
  108   1HB   ALA  16           HB2      ALA  16 -14.615  -4.458   4.089
  109   2HB   ALA  16           HB1      ALA  16 -13.418  -5.642   4.614
  110   3HB   ALA  16           HB3      ALA  16 -14.283  -4.673   5.807
  111    H    CYS  17           HN       CYS  17 -11.996  -1.688   3.205
  112    HA   CYS  17           HA       CYS  17 -10.820  -3.591   1.217
  113   1HB   CYS  17           HB2      CYS  17 -12.310  -0.995   0.724
  114   2HB   CYS  17           HB1      CYS  17 -11.564  -1.976  -0.526
  115    HA   PRO  18           HA       PRO  18  -7.901   0.293   1.002
  116   1HB   PRO  18           HB2      PRO  18  -8.597   1.823   3.378
  117   2HB   PRO  18           HB1      PRO  18  -8.462   2.387   1.713
  118   1HG   PRO  18           HG2      PRO  18 -10.861   1.986   3.208
  119   2HG   PRO  18           HG1      PRO  18 -10.718   2.453   1.514
  120   1HD   PRO  18           HD2      PRO  18 -11.664  -0.045   2.548
  121   2HD   PRO  18           HD1      PRO  18 -11.412   0.409   0.846
  122    H    ILE  19           HN       ILE  19  -9.327  -0.712   4.079
  123    HA   ILE  19           HA       ILE  19  -6.940  -0.953   5.642
  124    HB   ILE  19           HB       ILE  19  -9.737  -1.396   5.807
  125   1HG1  ILE  19          HG12      ILE  19  -7.746  -1.891   8.022
  126   2HG1  ILE  19          HG11      ILE  19  -8.099  -0.273   7.412
  127   1HG2  ILE  19          HG23      ILE  19  -9.293  -3.804   5.367
  128   2HG2  ILE  19          HG22      ILE  19  -8.206  -3.837   6.756
  129   3HG2  ILE  19          HG21      ILE  19  -9.926  -3.527   6.990
  130   1HD1  ILE  19          HD11      ILE  19 -10.604  -0.997   7.774
  131   2HD1  ILE  19          HD13      ILE  19  -9.900  -2.177   8.879
  132   3HD1  ILE  19          HD12      ILE  19  -9.646  -0.454   9.151
  133    H    THR  20           HN       THR  20  -8.569  -3.192   3.418
  134    HA   THR  20           HA       THR  20  -7.015  -5.533   3.907
  135    HB   THR  20           HB       THR  20  -8.225  -4.556   1.291
  136    HG1  THR  20           HG1      THR  20  -9.999  -5.968   2.342
  137   1HG2  THR  20          HG23      THR  20  -7.736  -7.307   2.473
  138   2HG2  THR  20          HG22      THR  20  -8.653  -7.009   0.996
  139   3HG2  THR  20          HG21      THR  20  -6.938  -6.605   1.066
  140    H    VAL  21           HN       VAL  21  -6.396  -2.551   2.289
  141    HA   VAL  21           HA       VAL  21  -4.192  -3.478   0.659
  142    HB   VAL  21           HB       VAL  21  -4.848  -0.681   1.615
  143   1HG1  VAL  21          HG13      VAL  21  -2.891  -1.772  -0.142
  144   2HG1  VAL  21          HG12      VAL  21  -4.061  -0.899  -1.133
  145   3HG1  VAL  21          HG11      VAL  21  -3.227  -0.072   0.183
  146   1HG2  VAL  21          HG22      VAL  21  -6.233  -2.485  -0.326
  147   2HG2  VAL  21          HG21      VAL  21  -6.910  -1.256   0.741
  148   3HG2  VAL  21          HG23      VAL  21  -6.091  -0.778  -0.746
  149    H    LYS  22           HN       LYS  22  -4.645  -2.138   3.874
  150    HA   LYS  22           HA       LYS  22  -1.919  -1.483   4.447
  151   1HB   LYS  22           HB2      LYS  22  -4.274  -1.046   5.637
  152   2HB   LYS  22           HB1      LYS  22  -3.815  -2.494   6.535
  153   1HG   LYS  22           HG2      LYS  22  -1.757  -0.352   6.202
  154   2HG   LYS  22           HG1      LYS  22  -3.064  -0.067   7.352
  155   1HD   LYS  22           HD2      LYS  22  -2.211  -2.728   7.778
  156   2HD   LYS  22           HD1      LYS  22  -0.744  -1.759   7.636
  157   1HE   LYS  22           HE2      LYS  22  -1.958  -0.098   9.249
  158   2HE   LYS  22           HE1      LYS  22  -2.985  -1.495   9.635
  159   1HZ   LYS  22           HZ2      LYS  22  -0.017  -1.598   9.604
  160   2HZ   LYS  22           HZ1      LYS  22  -0.924  -1.320  11.015
  161   3HZ   LYS  22           HZ3      LYS  22  -1.086  -2.788  10.179
  162    H    LYS  23           HN       LYS  23  -3.881  -4.407   4.729
  163    HA   LYS  23           HA       LYS  23  -1.829  -5.939   6.066
  164   1HB   LYS  23           HB2      LYS  23  -4.094  -6.615   6.346
  165   2HB   LYS  23           HB1      LYS  23  -4.398  -6.542   4.610
  166   1HG   LYS  23           HG2      LYS  23  -2.214  -8.363   5.218
  167   2HG   LYS  23           HG1      LYS  23  -3.689  -8.821   6.072
  168   1HD   LYS  23           HD2      LYS  23  -4.919  -8.572   3.872
  169   2HD   LYS  23           HD1      LYS  23  -3.344  -8.407   3.093
  170   1HE   LYS  23           HE2      LYS  23  -3.286 -10.674   2.987
  171   2HE   LYS  23           HE1      LYS  23  -3.096 -10.668   4.752
  172   1HZ   LYS  23           HZ1      LYS  23  -5.709 -10.480   3.350
  173   2HZ   LYS  23           HZ3      LYS  23  -5.080 -11.918   3.994
  174   3HZ   LYS  23           HZ2      LYS  23  -5.461 -10.621   5.024
  175    H    ALA  24           HN       ALA  24  -2.792  -5.388   2.769
  176    HA   ALA  24           HA       ALA  24  -1.321  -7.424   1.461
  177   1HB   ALA  24           HB2      ALA  24  -3.053  -5.380   0.815
  178   2HB   ALA  24           HB1      ALA  24  -1.545  -4.842   0.074
  179   3HB   ALA  24           HB3      ALA  24  -2.230  -6.409  -0.358
  180    H    LEU  25           HN       LEU  25  -0.427  -4.004   2.082
  181    HA   LEU  25           HA       LEU  25   2.211  -4.189   0.958
  182   1HB   LEU  25           HB2      LEU  25   1.286  -2.381   3.207
  183   2HB   LEU  25           HB1      LEU  25   2.513  -2.037   1.991
  184    HG   LEU  25           HG       LEU  25  -0.055  -2.722   0.782
  185   1HD1  LEU  25          HD12      LEU  25  -0.543  -1.522   3.091
  186   2HD1  LEU  25          HD11      LEU  25  -0.050  -0.083   2.201
  187   3HD1  LEU  25          HD13      LEU  25  -1.415  -1.042   1.635
  188   1HD2  LEU  25          HD23      LEU  25   2.238  -1.079   0.332
  189   2HD2  LEU  25          HD22      LEU  25   0.912  -1.416  -0.780
  190   3HD2  LEU  25          HD21      LEU  25   0.818  -0.033   0.310
  191    H    SER  26           HN       SER  26   1.047  -4.415   4.326
  192    HA   SER  26           HA       SER  26   3.585  -4.853   5.549
  193   1HB   SER  26           HB2      SER  26   1.715  -4.299   6.916
  194   2HB   SER  26           HB1      SER  26   0.714  -5.556   6.195
  195    HG   SER  26           HG       SER  26   2.154  -7.084   7.162
  196    H    LYS  27           HN       LYS  27   1.605  -6.820   3.530
  197    HA   LYS  27           HA       LYS  27   3.023  -9.273   4.392
  198   1HB   LYS  27           HB2      LYS  27   0.455  -8.605   3.033
  199   2HB   LYS  27           HB1      LYS  27   1.190 -10.167   2.665
  200   1HG   LYS  27           HG2      LYS  27  -0.446 -10.102   4.647
  201   2HG   LYS  27           HG1      LYS  27   1.123 -10.855   4.937
  202   1HD   LYS  27           HD2      LYS  27   1.920  -9.037   6.175
  203   2HD   LYS  27           HD1      LYS  27   0.760  -7.917   5.458
  204   1HE   LYS  27           HE2      LYS  27  -0.212  -8.255   7.561
  205   2HE   LYS  27           HE1      LYS  27  -1.008  -9.539   6.630
  206   1HZ   LYS  27           HZ2      LYS  27   1.525  -9.845   8.154
  207   2HZ   LYS  27           HZ1      LYS  27   0.006 -10.410   8.664
  208   3HZ   LYS  27           HZ3      LYS  27   0.734 -11.067   7.280
  209    H    VAL  28           HN       VAL  28   3.044  -6.902   1.977
  210    HA   VAL  28           HA       VAL  28   3.712  -8.174  -0.408
  211    HB   VAL  28           HB       VAL  28   4.575  -5.665   1.001
  212   1HG1  VAL  28          HG13      VAL  28   5.787  -6.810  -1.516
  213   2HG1  VAL  28          HG12      VAL  28   5.705  -5.068  -1.260
  214   3HG1  VAL  28          HG11      VAL  28   6.607  -6.082  -0.134
  215   1HG2  VAL  28          HG22      VAL  28   2.358  -5.964  -0.184
  216   2HG2  VAL  28          HG21      VAL  28   3.325  -4.610  -0.766
  217   3HG2  VAL  28          HG23      VAL  28   3.262  -6.109  -1.691
  218    H    GLU  29           HN       GLU  29   6.052  -7.157   2.092
  219    HA   GLU  29           HA       GLU  29   7.583  -9.385   2.540
  220   1HB   GLU  29           HB2      GLU  29   7.800  -8.471  -0.257
  221   2HB   GLU  29           HB1      GLU  29   9.358  -8.715   0.534
  222   1HG   GLU  29           HG2      GLU  29   7.553 -10.857   1.220
  223   2HG   GLU  29           HG1      GLU  29   7.668 -10.697  -0.533
  224    H    GLY  30           HN       GLY  30   9.035  -6.698   0.760
  225   1HA   GLY  30           HA2      GLY  30  10.869  -6.083   2.874
  226   2HA   GLY  30           HA1      GLY  30  10.612  -5.097   1.442
  227    H    VAL  31           HN       VAL  31   7.658  -5.006   2.207
  228    HA   VAL  31           HA       VAL  31   7.449  -2.478   3.327
  229    HB   VAL  31           HB       VAL  31   5.756  -4.960   3.572
  230   1HG1  VAL  31          HG12      VAL  31   5.288  -2.206   4.717
  231   2HG1  VAL  31          HG11      VAL  31   3.945  -3.268   4.293
  232   3HG1  VAL  31          HG13      VAL  31   5.111  -3.767   5.519
  233   1HG2  VAL  31          HG23      VAL  31   5.861  -2.485   1.878
  234   2HG2  VAL  31          HG22      VAL  31   5.629  -4.161   1.384
  235   3HG2  VAL  31          HG21      VAL  31   4.305  -3.272   2.136
  236    H    SER  32           HN       SER  32   8.217  -1.644   5.143
  237    HA   SER  32           HA       SER  32   8.703  -3.456   7.474
  238   1HB   SER  32           HB2      SER  32   9.872  -0.734   7.365
  239   2HB   SER  32           HB1      SER  32  10.635  -2.261   7.799
  240    HG   SER  32           HG       SER  32  11.487  -1.728   5.856
  241    H    LYS  33           HN       LYS  33   6.808  -0.869   6.322
  242    HA   LYS  33           HA       LYS  33   5.495  -0.639   8.968
  243   1HB   LYS  33           HB2      LYS  33   6.996   1.055   9.411
  244   2HB   LYS  33           HB1      LYS  33   7.282   1.388   7.708
  245   1HG   LYS  33           HG2      LYS  33   5.382   2.748   7.523
  246   2HG   LYS  33           HG1      LYS  33   4.610   2.024   8.935
  247   1HD   LYS  33           HD2      LYS  33   6.364   3.047  10.380
  248   2HD   LYS  33           HD1      LYS  33   7.039   3.839   8.955
  249   1HE   LYS  33           HE2      LYS  33   4.975   5.091   8.606
  250   2HE   LYS  33           HE1      LYS  33   4.186   4.217   9.934
  251   1HZ   LYS  33           HZ3      LYS  33   6.446   5.021  11.108
  252   2HZ   LYS  33           HZ2      LYS  33   6.190   6.316  10.039
  253   3HZ   LYS  33           HZ1      LYS  33   4.996   5.899  11.174
  254    H    VAL  34           HN       VAL  34   3.378   0.400   8.765
  255    HA   VAL  34           HA       VAL  34   2.482   1.058   6.013
  256    HB   VAL  34           HB       VAL  34   1.059  -1.009   7.701
  257   1HG1  VAL  34          HG13      VAL  34   0.092   0.331   5.631
  258   2HG1  VAL  34          HG12      VAL  34   1.043  -0.833   4.708
  259   3HG1  VAL  34          HG11      VAL  34  -0.222  -1.396   5.801
  260   1HG2  VAL  34          HG22      VAL  34   3.257  -1.382   5.648
  261   2HG2  VAL  34          HG21      VAL  34   3.236  -1.959   7.315
  262   3HG2  VAL  34          HG23      VAL  34   2.154  -2.674   6.119
  263    H    ASP  35           HN       ASP  35   0.498   2.216   5.986
  264    HA   ASP  35           HA       ASP  35  -1.070   2.766   8.358
  265   1HB   ASP  35           HB2      ASP  35   1.355   4.270   7.835
  266   2HB   ASP  35           HB1      ASP  35  -0.046   5.337   7.737
  267    H    VAL  36           HN       VAL  36  -2.802   2.354   6.873
  268    HA   VAL  36           HA       VAL  36  -2.949   4.130   4.477
  269    HB   VAL  36           HB       VAL  36  -4.367   2.413   3.583
  270   1HG1  VAL  36          HG12      VAL  36  -1.781   1.849   4.654
  271   2HG1  VAL  36          HG11      VAL  36  -2.773   0.404   4.848
  272   3HG1  VAL  36          HG13      VAL  36  -2.560   1.117   3.251
  273   1HG2  VAL  36          HG21      VAL  36  -4.416   1.286   6.403
  274   2HG2  VAL  36          HG23      VAL  36  -5.769   2.052   5.571
  275   3HG2  VAL  36          HG22      VAL  36  -5.136   0.512   4.991
  276    H    GLY  37           HN       GLY  37  -5.756   3.639   4.151
  277   1HA   GLY  37           HA2      GLY  37  -7.049   4.946   6.464
  278   2HA   GLY  37           HA1      GLY  37  -7.089   5.807   4.922
  279    H    PHE  38           HN       PHE  38  -8.591   3.473   6.814
  280    HA   PHE  38           HA       PHE  38  -9.854   1.890   4.711
  281   1HB   PHE  38           HB2      PHE  38 -10.814   0.740   6.574
  282   2HB   PHE  38           HB1      PHE  38  -9.189   1.198   7.074
  283    HD1  PHE  38           HD1      PHE  38 -10.204   4.287   7.278
  284    HD2  PHE  38           HD2      PHE  38 -11.416   0.533   8.987
  285    HE1  PHE  38           HE1      PHE  38 -11.145   5.479   9.229
  286    HE2  PHE  38           HE2      PHE  38 -12.363   1.735  10.938
  287    HZ   PHE  38           HZ       PHE  38 -12.227   4.207  11.059
  288    H    GLU  39           HN       GLU  39 -10.546   4.247   3.835
  289    HA   GLU  39           HA       GLU  39 -13.400   4.406   3.996
  290   1HB   GLU  39           HB2      GLU  39 -13.031   5.196   6.251
  291   2HB   GLU  39           HB1      GLU  39 -11.781   6.318   5.709
  292   1HG   GLU  39           HG2      GLU  39 -14.054   7.370   6.146
  293   2HG   GLU  39           HG1      GLU  39 -13.384   7.672   4.543
  294    H    LYS  40           HN       LYS  40 -10.432   6.316   3.614
  295    HA   LYS  40           HA       LYS  40 -11.616   7.593   1.175
  296   1HB   LYS  40           HB2      LYS  40  -9.878   8.447   3.410
  297   2HB   LYS  40           HB1      LYS  40  -9.335   8.989   1.820
  298   1HG   LYS  40           HG2      LYS  40 -12.143   9.356   1.879
  299   2HG   LYS  40           HG1      LYS  40 -11.521   9.986   3.405
  300   1HD   LYS  40           HD2      LYS  40 -10.267  10.675   0.743
  301   2HD   LYS  40           HD1      LYS  40 -11.566  11.635   1.453
  302   1HE   LYS  40           HE2      LYS  40 -10.113  12.652   2.862
  303   2HE   LYS  40           HE1      LYS  40  -9.497  11.085   3.424
  304   1HZ   LYS  40           HZ3      LYS  40  -8.448  11.055   1.044
  305   2HZ   LYS  40           HZ2      LYS  40  -8.582  12.743   1.180
  306   3HZ   LYS  40           HZ1      LYS  40  -7.669  11.865   2.314
  307    H    ARG  41           HN       ARG  41 -10.622   4.939   1.153
  308    HA   ARG  41           HA       ARG  41  -8.823   3.563   0.371
  309   1HB   ARG  41           HB2      ARG  41  -8.847   3.797  -2.036
  310   2HB   ARG  41           HB1      ARG  41 -10.462   4.113  -1.411
  311   1HG   ARG  41           HG2      ARG  41 -10.437   6.115  -2.423
  312   2HG   ARG  41           HG1      ARG  41  -9.060   6.593  -1.435
  313   1HD   ARG  41           HD2      ARG  41  -7.799   5.028  -3.255
  314   2HD   ARG  41           HD1      ARG  41  -9.118   5.650  -4.256
  315    HE   ARG  41           HE       ARG  41  -6.835   7.145  -3.352
  316   1HH1  ARG  41          HH21      ARG  41 -10.265   7.415  -3.642
  317   2HH1  ARG  41          HH22      ARG  41 -10.267   9.135  -3.466
  318   1HH2  ARG  41          HH11      ARG  41  -6.830   9.382  -3.152
  319   2HH2  ARG  41          HH12      ARG  41  -8.330  10.247  -3.199
  320    H    GLU  42           HN       GLU  42  -7.055   4.505   1.769
  321    HA   GLU  42           HA       GLU  42  -5.024   5.760  -0.041
  322   1HB   GLU  42           HB2      GLU  42  -6.347   7.506   1.225
  323   2HB   GLU  42           HB1      GLU  42  -5.700   6.824   2.717
  324   1HG   GLU  42           HG2      GLU  42  -4.115   8.459   2.327
  325   2HG   GLU  42           HG1      GLU  42  -3.387   7.123   1.434
  326    H    ALA  43           HN       ALA  43  -3.325   4.276   0.099
  327    HA   ALA  43           HA       ALA  43  -2.740   3.158   2.814
  328   1HB   ALA  43           HB1      ALA  43  -2.119   2.150   0.025
  329   2HB   ALA  43           HB3      ALA  43  -1.710   1.309   1.520
  330   3HB   ALA  43           HB2      ALA  43  -3.400   1.552   1.080
  331    H    VAL  44           HN       VAL  44  -1.024   4.202   3.749
  332    HA   VAL  44           HA       VAL  44   1.174   5.175   1.961
  333    HB   VAL  44           HB       VAL  44  -0.016   6.029   4.586
  334   1HG1  VAL  44          HG11      VAL  44   2.833   6.005   3.931
  335   2HG1  VAL  44          HG13      VAL  44   2.237   7.634   4.246
  336   3HG1  VAL  44          HG12      VAL  44   2.043   6.374   5.464
  337   1HG2  VAL  44          HG22      VAL  44   0.889   7.478   2.081
  338   2HG2  VAL  44          HG21      VAL  44  -0.777   7.108   2.527
  339   3HG2  VAL  44          HG23      VAL  44   0.157   8.257   3.484
  340    H    VAL  45           HN       VAL  45   2.971   3.867   2.009
  341    HA   VAL  45           HA       VAL  45   3.467   2.365   4.560
  342    HB   VAL  45           HB       VAL  45   3.339   1.391   1.701
  343   1HG1  VAL  45          HG11      VAL  45   5.259   0.449   3.180
  344   2HG1  VAL  45          HG13      VAL  45   3.968  -0.347   4.077
  345   3HG1  VAL  45          HG12      VAL  45   4.196  -0.695   2.365
  346   1HG2  VAL  45          HG23      VAL  45   1.723   0.987   4.211
  347   2HG2  VAL  45          HG22      VAL  45   1.165   1.414   2.593
  348   3HG2  VAL  45          HG21      VAL  45   1.710  -0.228   2.933
  349    H    THR  46           HN       THR  46   5.582   1.686   4.916
  350    HA   THR  46           HA       THR  46   7.747   3.052   3.344
  351    HB   THR  46           HB       THR  46   7.230   2.485   6.262
  352    HG1  THR  46           HG1      THR  46   6.929   4.546   6.016
  353   1HG2  THR  46          HG21      THR  46   9.845   2.380   4.862
  354   2HG2  THR  46          HG23      THR  46   9.803   3.344   6.339
  355   3HG2  THR  46          HG22      THR  46   9.351   1.639   6.384
  356    H    PHE  47           HN       PHE  47   9.736   1.648   3.121
  357    HA   PHE  47           HA       PHE  47   9.624  -1.088   4.050
  358   1HB   PHE  47           HB2      PHE  47   9.056  -2.133   1.928
  359   2HB   PHE  47           HB1      PHE  47   7.791  -0.973   2.343
  360    HD1  PHE  47           HD2      PHE  47  10.710  -1.615   0.146
  361    HD2  PHE  47           HD1      PHE  47   7.508   1.098   1.123
  362    HE1  PHE  47           HE2      PHE  47  11.097  -0.389  -1.964
  363    HE2  PHE  47           HE1      PHE  47   7.898   2.311  -1.001
  364    HZ   PHE  47           HZ       PHE  47   9.688   1.568  -2.541
  365    H    ASP  48           HN       ASP  48  11.209  -2.446   2.653
  366    HA   ASP  48           HA       ASP  48  13.581  -0.726   2.117
  367   1HB   ASP  48           HB2      ASP  48  13.258  -3.665   2.824
  368   2HB   ASP  48           HB1      ASP  48  14.810  -2.880   2.534
  369    H    ASP  49           HN       ASP  49  13.967  -0.458  -0.041
  370    HA   ASP  49           HA       ASP  49  12.464  -1.811  -2.051
  371   1HB   ASP  49           HB2      ASP  49  13.539  -0.324  -3.440
  372   2HB   ASP  49           HB1      ASP  49  13.980   0.416  -1.904
  373    H    THR  50           HN       THR  50  15.038  -2.985  -0.205
  374    HA   THR  50           HA       THR  50  16.445  -4.601  -2.116
  375    HB   THR  50           HB       THR  50  16.905  -5.887   0.126
  376    HG1  THR  50           HG1      THR  50  16.201  -4.853   1.916
  377   1HG2  THR  50          HG22      THR  50  17.680  -3.159  -0.744
  378   2HG2  THR  50          HG21      THR  50  18.073  -3.580   0.923
  379   3HG2  THR  50          HG23      THR  50  18.692  -4.563  -0.405
  380    H    LYS  51           HN       LYS  51  13.398  -5.040  -0.387
  381    HA   LYS  51           HA       LYS  51  13.122  -7.716  -1.710
  382   1HB   LYS  51           HB2      LYS  51  12.855  -6.816   1.091
  383   2HB   LYS  51           HB1      LYS  51  11.562  -7.877   0.531
  384   1HG   LYS  51           HG2      LYS  51  12.920  -9.679   0.540
  385   2HG   LYS  51           HG1      LYS  51  14.175  -8.817  -0.351
  386   1HD   LYS  51           HD2      LYS  51  15.099  -9.407   1.798
  387   2HD   LYS  51           HD1      LYS  51  14.798  -7.669   1.814
  388   1HE   LYS  51           HE2      LYS  51  12.807  -7.928   3.127
  389   2HE   LYS  51           HE1      LYS  51  12.798  -9.686   2.882
  390   1HZ   LYS  51           HZ1      LYS  51  15.286  -8.639   3.904
  391   2HZ   LYS  51           HZ3      LYS  51  13.979  -8.442   4.966
  392   3HZ   LYS  51           HZ2      LYS  51  14.390  -9.992   4.407
  393    H    ALA  52           HN       ALA  52  11.847  -4.603  -1.365
  394    HA   ALA  52           HA       ALA  52   9.350  -5.425  -2.762
  395   1HB   ALA  52           HB3      ALA  52   9.631  -4.473  -0.010
  396   2HB   ALA  52           HB2      ALA  52   8.536  -3.466  -0.956
  397   3HB   ALA  52           HB1      ALA  52   8.231  -5.196  -0.803
  398    H    SER  53           HN       SER  53   8.116  -2.996  -2.913
  399    HA   SER  53           HA       SER  53   9.830  -0.749  -3.438
  400   1HB   SER  53           HB2      SER  53   9.912  -2.879  -5.311
  401   2HB   SER  53           HB1      SER  53   9.016  -1.571  -6.079
  402    HG   SER  53           HG       SER  53  11.017  -0.931  -6.454
  403    H    VAL  54           HN       VAL  54   8.590   1.048  -4.306
  404    HA   VAL  54           HA       VAL  54   5.964   1.383  -3.529
  405    HB   VAL  54           HB       VAL  54   7.195   2.420  -6.103
  406   1HG1  VAL  54          HG11      VAL  54   4.733   2.932  -4.708
  407   2HG1  VAL  54          HG13      VAL  54   5.731   4.385  -4.676
  408   3HG1  VAL  54          HG12      VAL  54   5.309   3.639  -6.218
  409   1HG2  VAL  54          HG22      VAL  54   7.795   2.927  -3.234
  410   2HG2  VAL  54          HG21      VAL  54   8.845   3.066  -4.644
  411   3HG2  VAL  54          HG23      VAL  54   7.693   4.349  -4.273
  412    H    GLN  55           HN       GLN  55   7.118  -0.019  -6.584
  413    HA   GLN  55           HA       GLN  55   4.589  -0.359  -7.857
  414   1HB   GLN  55           HB2      GLN  55   7.083  -0.652  -8.637
  415   2HB   GLN  55           HB1      GLN  55   6.871  -2.314  -8.084
  416   1HG   GLN  55           HG2      GLN  55   4.563  -1.877  -9.530
  417   2HG   GLN  55           HG1      GLN  55   5.764  -0.976 -10.455
  418   1HE2  GLN  55          HE22      GLN  55   7.119  -3.899 -11.849
  419   2HE2  GLN  55          HE21      GLN  55   6.878  -2.222 -11.957
  420    H    LYS  56           HN       LYS  56   6.466  -2.557  -5.743
  421    HA   LYS  56           HA       LYS  56   4.547  -4.691  -5.772
  422   1HB   LYS  56           HB2      LYS  56   7.027  -3.911  -4.416
  423   2HB   LYS  56           HB1      LYS  56   5.957  -4.867  -3.390
  424   1HG   LYS  56           HG2      LYS  56   6.340  -6.750  -4.580
  425   2HG   LYS  56           HG1      LYS  56   6.106  -5.914  -6.116
  426   1HD   LYS  56           HD2      LYS  56   8.501  -4.867  -5.273
  427   2HD   LYS  56           HD1      LYS  56   8.601  -6.523  -4.673
  428   1HE   LYS  56           HE2      LYS  56   7.515  -6.527  -7.356
  429   2HE   LYS  56           HE1      LYS  56   9.067  -5.667  -7.322
  430   1HZ   LYS  56           HZ1      LYS  56   9.709  -7.616  -5.736
  431   2HZ   LYS  56           HZ3      LYS  56   8.464  -8.435  -6.544
  432   3HZ   LYS  56           HZ2      LYS  56   9.786  -7.827  -7.420
  433    H    LEU  57           HN       LEU  57   4.641  -1.661  -3.978
  434    HA   LEU  57           HA       LEU  57   2.887  -2.564  -1.826
  435   1HB   LEU  57           HB2      LEU  57   3.343   0.237  -2.906
  436   2HB   LEU  57           HB1      LEU  57   2.823  -0.201  -1.280
  437    HG   LEU  57           HG       LEU  57   5.500  -0.995  -2.465
  438   1HD1  LEU  57          HD12      LEU  57   4.744   1.556  -1.831
  439   2HD1  LEU  57          HD11      LEU  57   5.371   0.987  -0.284
  440   3HD1  LEU  57          HD13      LEU  57   6.399   0.955  -1.717
  441   1HD2  LEU  57          HD22      LEU  57   4.038  -1.778  -0.112
  442   2HD2  LEU  57          HD21      LEU  57   5.634  -2.309  -0.639
  443   3HD2  LEU  57          HD23      LEU  57   5.472  -0.876   0.376
  444    H    THR  58           HN       THR  58   2.395  -0.434  -4.651
  445    HA   THR  58           HA       THR  58  -0.475  -0.403  -4.517
  446    HB   THR  58           HB       THR  58   1.166  -0.135  -7.033
  447    HG1  THR  58           HG1      THR  58   2.349   1.267  -6.047
  448   1HG2  THR  58          HG22      THR  58  -1.374   0.200  -6.894
  449   2HG2  THR  58          HG21      THR  58  -1.016   1.652  -5.960
  450   3HG2  THR  58          HG23      THR  58  -0.443   1.509  -7.622
  451    H    LYS  59           HN       LYS  59   1.866  -2.688  -5.654
  452    HA   LYS  59           HA       LYS  59   0.039  -4.131  -7.435
  453   1HB   LYS  59           HB2      LYS  59   2.514  -3.988  -7.739
  454   2HB   LYS  59           HB1      LYS  59   2.729  -4.863  -6.222
  455   1HG   LYS  59           HG2      LYS  59   2.483  -6.814  -7.304
  456   2HG   LYS  59           HG1      LYS  59   0.873  -6.322  -7.831
  457   1HD   LYS  59           HD2      LYS  59   3.389  -5.407  -9.238
  458   2HD   LYS  59           HD1      LYS  59   2.530  -6.878  -9.695
  459   1HE   LYS  59           HE2      LYS  59   0.835  -4.454  -9.408
  460   2HE   LYS  59           HE1      LYS  59   1.957  -4.459 -10.783
  461   1HZ   LYS  59           HZ3      LYS  59   1.175  -6.856 -11.101
  462   2HZ   LYS  59           HZ2      LYS  59  -0.138  -6.432 -10.108
  463   3HZ   LYS  59           HZ1      LYS  59   0.117  -5.619 -11.578
  464    H    ALA  60           HN       ALA  60   1.074  -4.210  -4.063
  465    HA   ALA  60           HA       ALA  60   0.082  -6.867  -3.470
  466   1HB   ALA  60           HB3      ALA  60   1.527  -4.865  -2.207
  467   2HB   ALA  60           HB2      ALA  60  -0.002  -4.848  -1.328
  468   3HB   ALA  60           HB1      ALA  60   0.944  -6.333  -1.422
  469    H    THR  61           HN       THR  61  -1.324  -3.597  -3.284
  470    HA   THR  61           HA       THR  61  -3.912  -4.552  -2.293
  471    HB   THR  61           HB       THR  61  -2.947  -2.271  -1.958
  472    HG1  THR  61           HG1      THR  61  -5.218  -2.635  -1.922
  473   1HG2  THR  61          HG21      THR  61  -1.907  -2.080  -4.205
  474   2HG2  THR  61          HG23      THR  61  -3.517  -1.939  -4.912
  475   3HG2  THR  61          HG22      THR  61  -2.921  -0.689  -3.820
  476    H    ALA  62           HN       ALA  62  -2.409  -3.750  -5.382
  477    HA   ALA  62           HA       ALA  62  -4.709  -3.966  -7.053
  478   1HB   ALA  62           HB3      ALA  62  -1.786  -4.646  -7.541
  479   2HB   ALA  62           HB2      ALA  62  -2.985  -4.377  -8.806
  480   3HB   ALA  62           HB1      ALA  62  -2.515  -3.052  -7.741
  481    H    ASP  63           HN       ASP  63  -2.657  -6.300  -5.441
  482    HA   ASP  63           HA       ASP  63  -3.823  -8.580  -6.923
  483   1HB   ASP  63           HB2      ASP  63  -1.380  -8.290  -6.145
  484   2HB   ASP  63           HB1      ASP  63  -1.982  -8.610  -4.519
  485    H    ALA  64           HN       ALA  64  -4.330  -6.739  -4.032
  486    HA   ALA  64           HA       ALA  64  -5.711  -8.790  -2.507
  487   1HB   ALA  64           HB1      ALA  64  -4.597  -6.496  -1.841
  488   2HB   ALA  64           HB3      ALA  64  -6.165  -5.821  -2.280
  489   3HB   ALA  64           HB2      ALA  64  -6.051  -7.020  -0.992
  490    H    GLY  65           HN       GLY  65  -6.449  -6.746  -5.176
  491   1HA   GLY  65           HA2      GLY  65  -8.473  -7.371  -6.493
  492   2HA   GLY  65           HA1      GLY  65  -9.319  -7.522  -4.955
  493    H    TYR  66           HN       TYR  66  -7.034  -4.941  -5.476
  494    HA   TYR  66           HA       TYR  66  -9.307  -3.035  -5.883
  495   1HB   TYR  66           HB2      TYR  66  -7.066  -2.743  -3.859
  496   2HB   TYR  66           HB1      TYR  66  -8.482  -1.708  -4.036
  497    HD1  TYR  66           HD1      TYR  66 -10.729  -3.380  -4.289
  498    HD2  TYR  66           HD2      TYR  66  -7.216  -4.047  -1.898
  499    HE1  TYR  66           HE1      TYR  66 -12.041  -4.833  -2.761
  500    HE2  TYR  66           HE2      TYR  66  -8.529  -5.501  -0.380
  501    HH   TYR  66           HH       TYR  66 -10.546  -6.285   0.130
  502    HA   PRO  67           HA       PRO  67  -6.044  -2.047  -8.954
  503   1HB   PRO  67           HB2      PRO  67  -8.046  -0.303 -10.107
  504   2HB   PRO  67           HB1      PRO  67  -7.384  -1.800 -10.773
  505   1HG   PRO  67           HG2      PRO  67  -9.996  -1.383  -9.685
  506   2HG   PRO  67           HG1      PRO  67  -9.308  -2.891 -10.291
  507   1HD   PRO  67           HD2      PRO  67  -9.880  -2.187  -7.552
  508   2HD   PRO  67           HD1      PRO  67  -9.177  -3.705  -8.165
  509    H    SER  68           HN       SER  68  -4.832  -0.802  -7.409
  510    HA   SER  68           HA       SER  68  -5.819   1.973  -6.873
  511   1HB   SER  68           HB2      SER  68  -4.579   1.827  -4.883
  512   2HB   SER  68           HB1      SER  68  -5.170   0.182  -5.096
  513    HG   SER  68           HG       SER  68  -3.140  -0.231  -6.188
  514    H    SER  69           HN       SER  69  -3.377   3.093  -6.183
  515    HA   SER  69           HA       SER  69  -1.492   2.836  -8.426
  516   1HB   SER  69           HB2      SER  69  -1.879   5.255  -9.028
  517   2HB   SER  69           HB1      SER  69  -3.261   4.221  -9.375
  518    HG   SER  69           HG       SER  69  -3.077   5.410  -6.850
  519    H    VAL  70           HN       VAL  70  -0.030   5.117  -8.032
  520    HA   VAL  70           HA       VAL  70   0.424   5.238  -5.086
  521    HB   VAL  70           HB       VAL  70   1.786   3.594  -6.450
  522   1HG1  VAL  70          HG12      VAL  70   2.150   5.897  -8.053
  523   2HG1  VAL  70          HG11      VAL  70   3.719   5.567  -7.318
  524   3HG1  VAL  70          HG13      VAL  70   2.911   4.320  -8.268
  525   1HG2  VAL  70          HG22      VAL  70   2.578   5.483  -4.417
  526   2HG2  VAL  70          HG21      VAL  70   3.117   3.819  -4.634
  527   3HG2  VAL  70          HG23      VAL  70   3.961   5.133  -5.453
  528    H    LYS  71           HN       LYS  71   1.629   7.153  -4.387
  529    HA   LYS  71           HA       LYS  71   2.258   9.267  -6.295
  530   1HB   LYS  71           HB2      LYS  71   0.324  10.721  -5.360
  531   2HB   LYS  71           HB1      LYS  71  -0.095   9.466  -6.529
  532   1HG   LYS  71           HG2      LYS  71  -1.331   8.352  -5.009
  533   2HG   LYS  71           HG1      LYS  71  -0.023   8.404  -3.827
  534   1HD   LYS  71           HD2      LYS  71  -1.765   9.631  -2.812
  535   2HD   LYS  71           HD1      LYS  71  -0.689  10.864  -3.470
  536   1HE   LYS  71           HE2      LYS  71  -2.143  11.354  -5.266
  537   2HE   LYS  71           HE1      LYS  71  -3.016   9.818  -5.092
  538   1HZ   LYS  71           HZ3      LYS  71  -3.456  10.695  -2.713
  539   2HZ   LYS  71           HZ2      LYS  71  -3.129  12.218  -3.388
  540   3HZ   LYS  71           HZ1      LYS  71  -4.405  11.274  -3.993
  541    H    GLN  72           HN       GLN  72   3.726   8.190  -4.206
  542    HA   GLN  72           HA       GLN  72   3.631   9.260  -1.645
  543   1HB   GLN  72           HB2      GLN  72   6.005   8.898  -1.625
  544   2HB   GLN  72           HB1      GLN  72   5.341   7.718  -2.755
  545   1HG   GLN  72           HG2      GLN  72   6.869   8.534  -4.218
  546   2HG   GLN  72           HG1      GLN  72   5.768   9.901  -4.381
  547   1HE2  GLN  72          HE22      GLN  72   9.139  11.231  -3.448
  548   2HE2  GLN  72          HE21      GLN  72   8.534  10.320  -4.746
   
  No H/Q in entry =         548
  Start of MODEL   11
    1   1H    ALA   1           HT3      ALA   1 -17.667   0.180  -0.261
    2   2H    ALA   1           HT2      ALA   1 -16.631   0.648   1.002
    3   3H    ALA   1           HT1      ALA   1 -18.239   1.196   0.971
    4    HA   ALA   1           HA       ALA   1 -17.834   2.573  -0.920
    5   1HB   ALA   1           HB3      ALA   1 -16.634   2.747   1.628
    6   2HB   ALA   1           HB2      ALA   1 -15.401   3.279   0.484
    7   3HB   ALA   1           HB1      ALA   1 -16.971   4.080   0.524
    8    H    THR   2           HN       THR   2 -15.512   3.654  -1.817
    9    HA   THR   2           HA       THR   2 -13.662   1.578  -2.730
   10    HB   THR   2           HB       THR   2 -14.342   2.925  -5.041
   11    HG1  THR   2           HG1      THR   2 -16.518   3.068  -5.105
   12   1HG2  THR   2          HG23      THR   2 -14.640   0.267  -3.905
   13   2HG2  THR   2          HG22      THR   2 -15.915   0.630  -5.069
   14   3HG2  THR   2          HG21      THR   2 -14.221   0.735  -5.553
   15    H    GLN   3           HN       GLN   3 -12.153   2.916  -1.545
   16    HA   GLN   3           HA       GLN   3 -11.717   5.638  -2.745
   17   1HB   GLN   3           HB2      GLN   3 -10.993   6.311  -0.505
   18   2HB   GLN   3           HB1      GLN   3 -12.586   5.562  -0.408
   19   1HG   GLN   3           HG2      GLN   3 -11.642   3.486   0.356
   20   2HG   GLN   3           HG1      GLN   3 -10.001   4.065   0.055
   21   1HE2  GLN   3          HE22      GLN   3 -11.761   4.913   3.570
   22   2HE2  GLN   3          HE21      GLN   3 -12.434   3.834   2.446
   23    H    THR   4           HN       THR   4  -9.458   6.418  -2.584
   24    HA   THR   4           HA       THR   4  -7.444   4.200  -2.704
   25    HB   THR   4           HB       THR   4  -7.524   6.690  -4.431
   26    HG1  THR   4           HG1      THR   4  -8.707   5.611  -5.839
   27   1HG2  THR   4          HG23      THR   4  -5.378   5.315  -4.054
   28   2HG2  THR   4          HG22      THR   4  -6.177   4.047  -4.982
   29   3HG2  THR   4          HG21      THR   4  -5.858   5.614  -5.725
   30    H    VAL   5           HN       VAL   5  -5.589   4.631  -1.539
   31    HA   VAL   5           HA       VAL   5  -5.164   7.437  -0.537
   32    HB   VAL   5           HB       VAL   5  -4.591   6.420   1.618
   33   1HG1  VAL   5          HG11      VAL   5  -7.159   6.473   0.444
   34   2HG1  VAL   5          HG13      VAL   5  -7.062   4.943   1.317
   35   3HG1  VAL   5          HG12      VAL   5  -6.778   6.463   2.166
   36   1HG2  VAL   5          HG23      VAL   5  -3.890   4.226   0.278
   37   2HG2  VAL   5          HG22      VAL   5  -4.406   4.135   1.961
   38   3HG2  VAL   5          HG21      VAL   5  -5.540   3.745   0.668
   39    H    THR   6           HN       THR   6  -2.873   7.710   0.194
   40    HA   THR   6           HA       THR   6  -1.039   6.205  -1.592
   41    HB   THR   6           HB       THR   6   0.335   8.370  -0.743
   42    HG1  THR   6           HG1      THR   6  -1.135  10.075  -0.469
   43   1HG2  THR   6          HG22      THR   6  -1.840   8.336  -2.845
   44   2HG2  THR   6          HG21      THR   6  -0.595   9.580  -2.727
   45   3HG2  THR   6          HG23      THR   6  -0.143   7.912  -3.077
   46    H    LEU   7           HN       LEU   7   1.025   5.547  -0.547
   47    HA   LEU   7           HA       LEU   7   0.796   5.436   2.431
   48   1HB   LEU   7           HB2      LEU   7   0.564   3.350   0.464
   49   2HB   LEU   7           HB1      LEU   7   1.983   3.043   1.463
   50    HG   LEU   7           HG       LEU   7   0.658   3.227   3.471
   51   1HD1  LEU   7          HD11      LEU   7  -1.349   4.299   1.571
   52   2HD1  LEU   7          HD13      LEU   7  -1.959   3.325   2.908
   53   3HD1  LEU   7          HD12      LEU   7  -1.007   4.768   3.232
   54   1HD2  LEU   7          HD21      LEU   7   0.641   1.055   2.120
   55   2HD2  LEU   7          HD23      LEU   7  -0.693   1.252   3.257
   56   3HD2  LEU   7          HD22      LEU   7  -0.950   1.544   1.537
   57    H    ALA   8           HN       ALA   8   2.742   5.376   3.540
   58    HA   ALA   8           HA       ALA   8   5.204   5.929   1.909
   59   1HB   ALA   8           HB3      ALA   8   3.999   7.742   3.374
   60   2HB   ALA   8           HB2      ALA   8   4.728   6.880   4.730
   61   3HB   ALA   8           HB1      ALA   8   5.752   7.593   3.483
   62    H    VAL   9           HN       VAL   9   6.506   4.117   2.055
   63    HA   VAL   9           HA       VAL   9   6.575   2.673   4.696
   64    HB   VAL   9           HB       VAL   9   7.409   1.511   2.043
   65   1HG1  VAL   9          HG11      VAL   9   7.720   0.418   4.368
   66   2HG1  VAL   9          HG13      VAL   9   5.973   0.181   4.336
   67   3HG1  VAL   9          HG12      VAL   9   6.985  -0.557   3.095
   68   1HG2  VAL   9          HG22      VAL   9   4.749   2.449   2.724
   69   2HG2  VAL   9          HG21      VAL   9   5.314   1.709   1.228
   70   3HG2  VAL   9          HG23      VAL   9   4.757   0.694   2.557
   71    HA   PRO  10           HA       PRO  10  10.841   4.346   3.942
   72   1HB   PRO  10           HB2      PRO  10  11.023   5.461   6.488
   73   2HB   PRO  10           HB1      PRO  10  10.518   6.327   5.033
   74   1HG   PRO  10           HG2      PRO  10   8.906   5.501   7.330
   75   2HG   PRO  10           HG1      PRO  10   8.501   6.633   6.037
   76   1HD   PRO  10           HD2      PRO  10   7.572   3.920   6.362
   77   2HD   PRO  10           HD1      PRO  10   7.190   5.056   5.047
   78    H    GLY  11           HN       GLY  11  10.059   1.637   4.791
   79   1HA   GLY  11           HA2      GLY  11  12.100   1.187   6.929
   80   2HA   GLY  11           HA1      GLY  11  10.622   0.231   6.814
   81    H    MET  12           HN       MET  12  11.584   0.875   3.696
   82    HA   MET  12           HA       MET  12  13.613  -1.252   3.494
   83   1HB   MET  12           HB2      MET  12  12.213  -2.876   2.527
   84   2HB   MET  12           HB1      MET  12  11.209  -2.206   3.807
   85   1HG   MET  12           HG2      MET  12  11.125  -1.305   0.912
   86   2HG   MET  12           HG1      MET  12   9.974  -2.418   1.649
   87   1HE   MET  12           HE2      MET  12  10.412   0.368   0.246
   88   2HE   MET  12           HE1      MET  12   8.999   1.309   0.717
   89   3HE   MET  12           HE3      MET  12  10.598   1.731   1.346
   90    H    THR  13           HN       THR  13  12.919   1.635   2.609
   91    HA   THR  13           HA       THR  13  12.482   1.950  -0.114
   92    HB   THR  13           HB       THR  13  14.386   3.271   1.829
   93    HG1  THR  13           HG1      THR  13  12.484   3.941   2.416
   94   1HG2  THR  13          HG21      THR  13  14.314   3.537  -1.021
   95   2HG2  THR  13          HG23      THR  13  13.709   5.025  -0.294
   96   3HG2  THR  13          HG22      THR  13  15.307   4.417   0.141
   97    H    CYS  14           HN       CYS  14  13.370   0.208  -1.391
   98    HA   CYS  14           HA       CYS  14  15.987   0.611  -2.452
   99   1HB   CYS  14           HB2      CYS  14  17.230  -0.357  -0.821
  100   2HB   CYS  14           HB1      CYS  14  15.780  -0.812   0.062
  101    H    ALA  15           HN       ALA  15  15.391   0.053  -4.491
  102    HA   ALA  15           HA       ALA  15  13.404  -1.250  -5.669
  103   1HB   ALA  15           HB2      ALA  15  16.105  -0.739  -6.259
  104   2HB   ALA  15           HB1      ALA  15  15.827  -2.415  -6.734
  105   3HB   ALA  15           HB3      ALA  15  14.825  -1.129  -7.408
  106    H    ALA  16           HN       ALA  16  12.625  -2.766  -3.901
  107    HA   ALA  16           HA       ALA  16  12.895  -5.485  -4.660
  108   1HB   ALA  16           HB1      ALA  16  14.845  -4.388  -2.674
  109   2HB   ALA  16           HB3      ALA  16  14.238  -6.023  -2.412
  110   3HB   ALA  16           HB2      ALA  16  15.084  -5.625  -3.908
  111    H    CYS  17           HN       CYS  17  12.675  -3.523  -1.681
  112    HA   CYS  17           HA       CYS  17  10.509  -5.268  -0.662
  113   1HB   CYS  17           HB2      CYS  17  11.988  -2.957   0.602
  114   2HB   CYS  17           HB1      CYS  17  11.047  -4.195   1.438
  115    HA   PRO  18           HA       PRO  18   8.418  -0.886  -0.539
  116   1HB   PRO  18           HB2      PRO  18   9.279   0.420  -2.959
  117   2HB   PRO  18           HB1      PRO  18   9.425   0.998  -1.302
  118   1HG   PRO  18           HG2      PRO  18  11.531   0.086  -2.984
  119   2HG   PRO  18           HG1      PRO  18  11.630   0.545  -1.281
  120   1HD   PRO  18           HD2      PRO  18  11.801  -2.113  -2.440
  121   2HD   PRO  18           HD1      PRO  18  12.020  -1.648  -0.739
  122    H    ILE  19           HN       ILE  19   9.462  -2.358  -3.601
  123    HA   ILE  19           HA       ILE  19   6.916  -2.184  -4.962
  124    HB   ILE  19           HB       ILE  19   9.418  -3.858  -5.121
  125   1HG1  ILE  19          HG12      ILE  19   8.023  -2.248  -7.266
  126   2HG1  ILE  19          HG11      ILE  19   9.104  -1.497  -6.092
  127   1HG2  ILE  19          HG23      ILE  19   6.829  -4.353  -6.612
  128   2HG2  ILE  19          HG22      ILE  19   8.392  -4.931  -7.189
  129   3HG2  ILE  19          HG21      ILE  19   7.752  -5.506  -5.649
  130   1HD1  ILE  19          HD11      ILE  19  10.257  -3.910  -7.272
  131   2HD1  ILE  19          HD13      ILE  19   9.880  -2.686  -8.484
  132   3HD1  ILE  19          HD12      ILE  19  10.946  -2.293  -7.136
  133    H    THR  20           HN       THR  20   8.270  -4.336  -2.536
  134    HA   THR  20           HA       THR  20   6.361  -6.478  -2.698
  135    HB   THR  20           HB       THR  20   7.791  -5.470  -0.217
  136    HG1  THR  20           HG1      THR  20   8.847  -7.044  -2.327
  137   1HG2  THR  20          HG22      THR  20   6.702  -8.082  -1.213
  138   2HG2  THR  20          HG21      THR  20   8.055  -8.084  -0.081
  139   3HG2  THR  20          HG23      THR  20   6.527  -7.332   0.374
  140    H    VAL  21           HN       VAL  21   6.341  -3.272  -1.403
  141    HA   VAL  21           HA       VAL  21   4.147  -3.557   0.432
  142    HB   VAL  21           HB       VAL  21   5.210  -1.158  -1.099
  143   1HG1  VAL  21          HG13      VAL  21   2.894  -1.285   0.338
  144   2HG1  VAL  21          HG12      VAL  21   4.047  -0.819   1.589
  145   3HG1  VAL  21          HG11      VAL  21   3.863   0.177   0.147
  146   1HG2  VAL  21          HG23      VAL  21   6.906  -2.403   0.285
  147   2HG2  VAL  21          HG22      VAL  21   6.618  -0.752   0.837
  148   3HG2  VAL  21          HG21      VAL  21   5.892  -2.109   1.698
  149    H    LYS  22           HN       LYS  22   4.510  -3.002  -3.014
  150    HA   LYS  22           HA       LYS  22   1.822  -2.145  -3.561
  151   1HB   LYS  22           HB2      LYS  22   3.441  -1.737  -5.242
  152   2HB   LYS  22           HB1      LYS  22   4.106  -3.362  -5.114
  153   1HG   LYS  22           HG2      LYS  22   2.667  -4.161  -6.654
  154   2HG   LYS  22           HG1      LYS  22   1.288  -3.430  -5.830
  155   1HD   LYS  22           HD2      LYS  22   1.227  -1.698  -7.276
  156   2HD   LYS  22           HD1      LYS  22   2.963  -1.426  -7.124
  157   1HE   LYS  22           HE2      LYS  22   2.058  -3.815  -8.694
  158   2HE   LYS  22           HE1      LYS  22   1.932  -2.213  -9.447
  159   1HZ   LYS  22           HZ3      LYS  22   4.371  -2.382  -8.053
  160   2HZ   LYS  22           HZ2      LYS  22   4.242  -3.740  -9.065
  161   3HZ   LYS  22           HZ1      LYS  22   4.122  -2.177  -9.718
  162    H    LYS  23           HN       LYS  23   3.503  -5.250  -3.416
  163    HA   LYS  23           HA       LYS  23   1.228  -6.812  -4.245
  164   1HB   LYS  23           HB2      LYS  23   3.596  -7.647  -2.558
  165   2HB   LYS  23           HB1      LYS  23   2.637  -8.678  -3.621
  166   1HG   LYS  23           HG2      LYS  23   4.596  -6.509  -4.379
  167   2HG   LYS  23           HG1      LYS  23   4.571  -8.195  -4.895
  168   1HD   LYS  23           HD2      LYS  23   2.180  -7.481  -5.850
  169   2HD   LYS  23           HD1      LYS  23   2.938  -5.888  -5.867
  170   1HE   LYS  23           HE2      LYS  23   4.682  -6.619  -7.335
  171   2HE   LYS  23           HE1      LYS  23   4.265  -8.327  -7.088
  172   1HZ   LYS  23           HZ2      LYS  23   2.247  -6.416  -8.077
  173   2HZ   LYS  23           HZ1      LYS  23   3.341  -7.135  -9.159
  174   3HZ   LYS  23           HZ3      LYS  23   2.289  -8.106  -8.249
  175    H    ALA  24           HN       ALA  24   2.386  -5.568  -1.228
  176    HA   ALA  24           HA       ALA  24   0.878  -7.150   0.586
  177   1HB   ALA  24           HB1      ALA  24   2.819  -5.321   0.779
  178   2HB   ALA  24           HB3      ALA  24   1.446  -4.269   1.124
  179   3HB   ALA  24           HB2      ALA  24   1.754  -5.678   2.139
  180    H    LEU  25           HN       LEU  25   0.138  -4.028  -1.004
  181    HA   LEU  25           HA       LEU  25  -2.479  -3.789   0.258
  182   1HB   LEU  25           HB2      LEU  25  -1.586  -2.479  -2.312
  183   2HB   LEU  25           HB1      LEU  25  -2.661  -1.833  -1.075
  184    HG   LEU  25           HG       LEU  25  -0.082  -2.474   0.074
  185   1HD1  LEU  25          HD11      LEU  25   0.471  -2.023  -2.395
  186   2HD1  LEU  25          HD13      LEU  25  -0.014  -0.360  -2.075
  187   3HD1  LEU  25          HD12      LEU  25   1.340  -1.069  -1.193
  188   1HD2  LEU  25          HD23      LEU  25  -1.784  -0.920   1.009
  189   2HD2  LEU  25          HD22      LEU  25  -0.227  -0.124   0.781
  190   3HD2  LEU  25          HD21      LEU  25  -1.536   0.156  -0.367
  191    H    SER  26           HN       SER  26  -1.245  -5.023  -2.820
  192    HA   SER  26           HA       SER  26  -3.769  -5.415  -4.119
  193   1HB   SER  26           HB2      SER  26  -1.044  -5.749  -4.644
  194   2HB   SER  26           HB1      SER  26  -1.686  -7.389  -4.697
  195    HG   SER  26           HG       SER  26  -1.770  -5.985  -6.682
  196    H    LYS  27           HN       LYS  27  -2.125  -7.021  -1.546
  197    HA   LYS  27           HA       LYS  27  -4.039  -9.297  -1.726
  198   1HB   LYS  27           HB2      LYS  27  -1.195  -8.976  -0.846
  199   2HB   LYS  27           HB1      LYS  27  -2.164 -10.253  -0.109
  200   1HG   LYS  27           HG2      LYS  27  -0.950 -11.073  -2.107
  201   2HG   LYS  27           HG1      LYS  27  -2.698 -11.154  -2.331
  202   1HD   LYS  27           HD2      LYS  27  -2.696  -9.553  -3.954
  203   2HD   LYS  27           HD1      LYS  27  -1.448  -8.603  -3.148
  204   1HE   LYS  27           HE2      LYS  27  -0.560  -9.519  -5.256
  205   2HE   LYS  27           HE1      LYS  27   0.257 -10.291  -3.882
  206   1HZ   LYS  27           HZ1      LYS  27  -1.399 -12.075  -3.974
  207   2HZ   LYS  27           HZ3      LYS  27  -2.102 -11.363  -5.342
  208   3HZ   LYS  27           HZ2      LYS  27  -0.518 -11.972  -5.422
  209    H    VAL  28           HN       VAL  28  -3.602  -6.434  -0.150
  210    HA   VAL  28           HA       VAL  28  -3.791  -6.922   2.606
  211    HB   VAL  28           HB       VAL  28  -3.598  -4.727   1.422
  212   1HG1  VAL  28          HG13      VAL  28  -5.525  -5.394  -0.187
  213   2HG1  VAL  28          HG12      VAL  28  -6.593  -4.827   1.096
  214   3HG1  VAL  28          HG11      VAL  28  -5.442  -3.718   0.352
  215   1HG2  VAL  28          HG23      VAL  28  -4.329  -4.973   3.840
  216   2HG2  VAL  28          HG22      VAL  28  -4.843  -3.478   3.059
  217   3HG2  VAL  28          HG21      VAL  28  -5.991  -4.799   3.277
  218    H    GLU  29           HN       GLU  29  -6.405  -6.979   0.171
  219    HA   GLU  29           HA       GLU  29  -7.989  -8.960   1.328
  220   1HB   GLU  29           HB2      GLU  29  -7.929  -6.483   2.835
  221   2HB   GLU  29           HB1      GLU  29  -9.576  -6.860   2.322
  222   1HG   GLU  29           HG2      GLU  29  -8.729  -9.316   3.096
  223   2HG   GLU  29           HG1      GLU  29  -7.811  -8.301   4.206
  224    H    GLY  30           HN       GLY  30  -9.412  -5.760   0.833
  225   1HA   GLY  30           HA2      GLY  30 -10.814  -6.848  -1.548
  226   2HA   GLY  30           HA1      GLY  30 -11.325  -5.449  -0.611
  227    H    VAL  31           HN       VAL  31  -8.019  -5.258  -1.111
  228    HA   VAL  31           HA       VAL  31  -7.876  -2.896  -2.528
  229    HB   VAL  31           HB       VAL  31  -5.972  -4.172  -1.632
  230   1HG1  VAL  31          HG11      VAL  31  -7.092  -6.275  -3.066
  231   2HG1  VAL  31          HG13      VAL  31  -5.629  -5.889  -3.972
  232   3HG1  VAL  31          HG12      VAL  31  -5.523  -6.296  -2.260
  233   1HG2  VAL  31          HG22      VAL  31  -5.816  -2.462  -3.602
  234   2HG2  VAL  31          HG21      VAL  31  -4.412  -3.468  -3.248
  235   3HG2  VAL  31          HG23      VAL  31  -5.478  -3.882  -4.591
  236    H    SER  32           HN       SER  32  -8.500  -2.219  -4.477
  237    HA   SER  32           HA       SER  32  -9.293  -4.254  -6.516
  238   1HB   SER  32           HB2      SER  32 -11.033  -2.723  -5.638
  239   2HB   SER  32           HB1      SER  32 -10.060  -1.342  -6.134
  240    HG   SER  32           HG       SER  32 -11.768  -2.095  -7.624
  241    H    LYS  33           HN       LYS  33  -6.945  -1.924  -5.760
  242    HA   LYS  33           HA       LYS  33  -5.655  -2.285  -8.369
  243   1HB   LYS  33           HB2      LYS  33  -6.852  -0.604  -9.328
  244   2HB   LYS  33           HB1      LYS  33  -7.407   0.003  -7.774
  245   1HG   LYS  33           HG2      LYS  33  -5.137   1.045  -7.447
  246   2HG   LYS  33           HG1      LYS  33  -4.731   0.554  -9.093
  247   1HD   LYS  33           HD2      LYS  33  -7.304   1.970  -8.870
  248   2HD   LYS  33           HD1      LYS  33  -5.906   2.949  -8.424
  249   1HE   LYS  33           HE2      LYS  33  -5.659   3.295 -10.666
  250   2HE   LYS  33           HE1      LYS  33  -5.048   1.629 -10.722
  251   1HZ   LYS  33           HZ2      LYS  33  -7.461   0.940 -10.784
  252   2HZ   LYS  33           HZ1      LYS  33  -7.832   2.564 -11.119
  253   3HZ   LYS  33           HZ3      LYS  33  -6.866   1.677 -12.195
  254    H    VAL  34           HN       VAL  34  -3.545  -0.970  -8.428
  255    HA   VAL  34           HA       VAL  34  -2.582   0.142  -5.898
  256    HB   VAL  34           HB       VAL  34  -2.663  -2.344  -5.555
  257   1HG1  VAL  34          HG12      VAL  34  -1.389  -2.253  -8.147
  258   2HG1  VAL  34          HG11      VAL  34  -0.363  -3.115  -7.000
  259   3HG1  VAL  34          HG13      VAL  34  -2.022  -3.649  -7.274
  260   1HG2  VAL  34          HG23      VAL  34  -1.023  -0.898  -4.364
  261   2HG2  VAL  34          HG22      VAL  34  -0.383  -2.514  -4.664
  262   3HG2  VAL  34          HG21      VAL  34   0.130  -1.160  -5.672
  263    H    ASP  35           HN       ASP  35  -0.499   1.084  -6.124
  264    HA   ASP  35           HA       ASP  35   1.091   0.777  -8.564
  265   1HB   ASP  35           HB2      ASP  35  -0.958   2.240  -9.099
  266   2HB   ASP  35           HB1      ASP  35  -0.248   3.442  -8.020
  267    H    VAL  36           HN       VAL  36   2.799   0.416  -7.031
  268    HA   VAL  36           HA       VAL  36   3.381   2.664  -5.157
  269    HB   VAL  36           HB       VAL  36   4.447  -0.170  -5.248
  270   1HG1  VAL  36          HG13      VAL  36   4.507   2.045  -3.195
  271   2HG1  VAL  36          HG12      VAL  36   4.775   0.360  -2.760
  272   3HG1  VAL  36          HG11      VAL  36   5.867   1.165  -3.886
  273   1HG2  VAL  36          HG23      VAL  36   1.988   1.029  -3.973
  274   2HG2  VAL  36          HG22      VAL  36   2.119  -0.438  -4.944
  275   3HG2  VAL  36          HG21      VAL  36   2.752  -0.411  -3.298
  276    H    GLY  37           HN       GLY  37   5.824   2.859  -4.712
  277   1HA   GLY  37           HA2      GLY  37   7.370   2.676  -7.249
  278   2HA   GLY  37           HA1      GLY  37   7.378   4.156  -6.286
  279    H    PHE  38           HN       PHE  38   9.120   1.501  -6.924
  280    HA   PHE  38           HA       PHE  38  10.041   0.389  -4.518
  281   1HB   PHE  38           HB2      PHE  38  12.104  -0.008  -5.981
  282   2HB   PHE  38           HB1      PHE  38  10.574  -0.525  -6.669
  283    HD1  PHE  38           HD2      PHE  38  13.012   2.313  -6.652
  284    HD2  PHE  38           HD1      PHE  38   9.788   0.355  -8.708
  285    HE1  PHE  38           HE2      PHE  38  13.363   3.790  -8.606
  286    HE2  PHE  38           HE1      PHE  38  10.145   1.833 -10.668
  287    HZ   PHE  38           HZ       PHE  38  11.933   3.552 -10.615
  288    H    GLU  39           HN       GLU  39  12.924   1.121  -4.937
  289    HA   GLU  39           HA       GLU  39  14.110   2.470  -3.191
  290   1HB   GLU  39           HB2      GLU  39  14.921   2.461  -5.522
  291   2HB   GLU  39           HB1      GLU  39  13.876   3.835  -5.885
  292   1HG   GLU  39           HG2      GLU  39  16.042   4.751  -5.435
  293   2HG   GLU  39           HG1      GLU  39  15.065   5.075  -4.002
  294    H    LYS  40           HN       LYS  40  12.242   4.805  -5.197
  295    HA   LYS  40           HA       LYS  40  12.213   7.044  -3.636
  296   1HB   LYS  40           HB2      LYS  40  10.419   5.722  -5.505
  297   2HB   LYS  40           HB1      LYS  40   9.517   6.686  -4.334
  298   1HG   LYS  40           HG2      LYS  40  11.186   8.567  -4.819
  299   2HG   LYS  40           HG1      LYS  40  11.705   7.606  -6.204
  300   1HD   LYS  40           HD2      LYS  40   8.893   7.615  -6.316
  301   2HD   LYS  40           HD1      LYS  40   9.353   9.274  -5.928
  302   1HE   LYS  40           HE2      LYS  40   9.587   9.398  -8.226
  303   2HE   LYS  40           HE1      LYS  40  11.189   8.730  -7.855
  304   1HZ   LYS  40           HZ2      LYS  40  10.211   6.493  -8.013
  305   2HZ   LYS  40           HZ1      LYS  40   8.738   7.180  -8.505
  306   3HZ   LYS  40           HZ3      LYS  40  10.113   7.339  -9.484
  307    H    ARG  41           HN       ARG  41   9.663   4.576  -3.238
  308    HA   ARG  41           HA       ARG  41   9.072   3.508  -1.117
  309   1HB   ARG  41           HB2      ARG  41  10.958   4.759  -0.026
  310   2HB   ARG  41           HB1      ARG  41   9.877   6.146   0.114
  311   1HG   ARG  41           HG2      ARG  41   8.569   3.758   1.084
  312   2HG   ARG  41           HG1      ARG  41  10.102   4.011   1.922
  313   1HD   ARG  41           HD2      ARG  41   7.837   6.015   1.654
  314   2HD   ARG  41           HD1      ARG  41   8.419   5.260   3.141
  315    HE   ARG  41           HE       ARG  41  10.679   6.434   1.965
  316   1HH1  ARG  41          HH21      ARG  41   7.569   7.424   3.087
  317   2HH1  ARG  41          HH22      ARG  41   8.088   9.018   3.518
  318   1HH2  ARG  41          HH11      ARG  41  11.370   8.506   2.523
  319   2HH2  ARG  41          HH12      ARG  41  10.241   9.632   3.198
  320    H    GLU  42           HN       GLU  42   7.057   3.875  -2.430
  321    HA   GLU  42           HA       GLU  42   5.151   5.377  -0.786
  322   1HB   GLU  42           HB2      GLU  42   6.394   7.117  -2.143
  323   2HB   GLU  42           HB1      GLU  42   5.694   6.395  -3.592
  324   1HG   GLU  42           HG2      GLU  42   3.815   7.069  -1.380
  325   2HG   GLU  42           HG1      GLU  42   4.502   8.417  -2.286
  326    H    ALA  43           HN       ALA  43   3.396   3.985  -0.847
  327    HA   ALA  43           HA       ALA  43   2.794   2.637  -3.458
  328   1HB   ALA  43           HB1      ALA  43   2.261   1.929  -0.564
  329   2HB   ALA  43           HB3      ALA  43   1.646   0.993  -1.926
  330   3HB   ALA  43           HB2      ALA  43   3.385   1.129  -1.664
  331    H    VAL  44           HN       VAL  44   1.037   3.517  -4.496
  332    HA   VAL  44           HA       VAL  44  -1.098   4.767  -2.813
  333    HB   VAL  44           HB       VAL  44   0.211   6.047  -4.649
  334   1HG1  VAL  44          HG13      VAL  44  -0.325   3.918  -6.211
  335   2HG1  VAL  44          HG12      VAL  44  -1.727   4.909  -6.601
  336   3HG1  VAL  44          HG11      VAL  44  -0.102   5.537  -6.865
  337   1HG2  VAL  44          HG21      VAL  44  -2.331   6.298  -3.657
  338   2HG2  VAL  44          HG23      VAL  44  -1.568   7.461  -4.741
  339   3HG2  VAL  44          HG22      VAL  44  -2.640   6.221  -5.391
  340    H    VAL  45           HN       VAL  45  -2.893   3.511  -2.589
  341    HA   VAL  45           HA       VAL  45  -3.442   1.513  -4.764
  342    HB   VAL  45           HB       VAL  45  -2.374   0.794  -2.535
  343   1HG1  VAL  45          HG13      VAL  45  -4.120   2.268  -1.282
  344   2HG1  VAL  45          HG12      VAL  45  -5.194   0.887  -1.503
  345   3HG1  VAL  45          HG11      VAL  45  -3.690   0.698  -0.603
  346   1HG2  VAL  45          HG21      VAL  45  -4.926  -0.423  -3.618
  347   2HG2  VAL  45          HG23      VAL  45  -3.268  -0.876  -4.011
  348   3HG2  VAL  45          HG22      VAL  45  -3.922  -1.227  -2.411
  349    H    THR  46           HN       THR  46  -5.606   0.797  -4.952
  350    HA   THR  46           HA       THR  46  -7.701   2.687  -3.925
  351    HB   THR  46           HB       THR  46  -7.180   1.314  -6.557
  352    HG1  THR  46           HG1      THR  46  -8.253   3.549  -7.005
  353   1HG2  THR  46          HG22      THR  46  -9.898   2.252  -5.591
  354   2HG2  THR  46          HG21      THR  46  -9.522   1.723  -7.231
  355   3HG2  THR  46          HG23      THR  46  -9.437   0.577  -5.892
  356    H    PHE  47           HN       PHE  47  -9.728   1.538  -3.321
  357    HA   PHE  47           HA       PHE  47  -9.858  -1.345  -3.489
  358   1HB   PHE  47           HB2      PHE  47  -9.362  -1.840  -1.161
  359   2HB   PHE  47           HB1      PHE  47  -8.010  -0.927  -1.833
  360    HD1  PHE  47           HD2      PHE  47 -11.048  -0.695   0.309
  361    HD2  PHE  47           HD1      PHE  47  -7.504   1.306  -1.093
  362    HE1  PHE  47           HE2      PHE  47 -11.376   1.078   2.000
  363    HE2  PHE  47           HE1      PHE  47  -7.840   3.077   0.611
  364    HZ   PHE  47           HZ       PHE  47  -9.783   2.967   2.144
  365    H    ASP  48           HN       ASP  48 -11.515  -2.149  -1.778
  366    HA   ASP  48           HA       ASP  48 -13.777  -0.208  -1.768
  367   1HB   ASP  48           HB2      ASP  48 -13.840  -3.217  -1.387
  368   2HB   ASP  48           HB1      ASP  48 -15.181  -2.167  -1.847
  369    H    ASP  49           HN       ASP  49 -14.027   0.715   0.232
  370    HA   ASP  49           HA       ASP  49 -12.661  -0.206   2.559
  371   1HB   ASP  49           HB2      ASP  49 -13.212   2.061   2.507
  372   2HB   ASP  49           HB1      ASP  49 -14.851   1.753   1.934
  373    H    THR  50           HN       THR  50 -15.407  -1.525   1.084
  374    HA   THR  50           HA       THR  50 -16.905  -2.325   3.438
  375    HB   THR  50           HB       THR  50 -17.639  -4.099   1.551
  376    HG1  THR  50           HG1      THR  50 -15.788  -3.221   0.283
  377   1HG2  THR  50          HG21      THR  50 -18.596  -1.700   2.521
  378   2HG2  THR  50          HG23      THR  50 -18.497  -1.403   0.785
  379   3HG2  THR  50          HG22      THR  50 -19.449  -2.756   1.396
  380    H    LYS  51           HN       LYS  51 -14.122  -3.616   1.728
  381    HA   LYS  51           HA       LYS  51 -14.121  -5.968   3.599
  382   1HB   LYS  51           HB2      LYS  51 -14.114  -5.767   0.736
  383   2HB   LYS  51           HB1      LYS  51 -12.580  -6.466   1.254
  384   1HG   LYS  51           HG2      LYS  51 -13.987  -8.004   2.764
  385   2HG   LYS  51           HG1      LYS  51 -15.371  -7.477   1.804
  386   1HD   LYS  51           HD2      LYS  51 -14.805  -8.884   0.145
  387   2HD   LYS  51           HD1      LYS  51 -13.197  -8.166   0.046
  388   1HE   LYS  51           HE2      LYS  51 -12.245  -9.773   1.421
  389   2HE   LYS  51           HE1      LYS  51 -13.757 -10.054   2.309
  390   1HZ   LYS  51           HZ3      LYS  51 -14.664 -10.877   0.110
  391   2HZ   LYS  51           HZ2      LYS  51 -13.054 -10.931  -0.431
  392   3HZ   LYS  51           HZ1      LYS  51 -13.545 -11.890   0.883
  393    H    ALA  52           HN       ALA  52 -12.607  -3.103   2.875
  394    HA   ALA  52           HA       ALA  52 -10.175  -3.848   4.366
  395   1HB   ALA  52           HB1      ALA  52 -10.271  -3.241   1.413
  396   2HB   ALA  52           HB3      ALA  52  -8.823  -2.874   2.351
  397   3HB   ALA  52           HB2      ALA  52  -9.407  -4.535   2.243
  398    H    SER  53           HN       SER  53  -8.638  -1.628   3.827
  399    HA   SER  53           HA       SER  53 -10.059   0.847   3.601
  400   1HB   SER  53           HB2      SER  53  -9.846   1.288   6.187
  401   2HB   SER  53           HB1      SER  53 -11.222   0.377   5.574
  402    HG   SER  53           HG       SER  53 -10.535  -1.213   6.746
  403    H    VAL  54           HN       VAL  54  -8.672   2.686   4.121
  404    HA   VAL  54           HA       VAL  54  -6.033   2.615   3.375
  405    HB   VAL  54           HB       VAL  54  -7.367   4.634   3.854
  406   1HG1  VAL  54          HG11      VAL  54  -8.276   3.544   6.028
  407   2HG1  VAL  54          HG13      VAL  54  -6.819   4.188   6.785
  408   3HG1  VAL  54          HG12      VAL  54  -7.981   5.282   6.035
  409   1HG2  VAL  54          HG22      VAL  54  -4.627   4.192   4.677
  410   2HG2  VAL  54          HG21      VAL  54  -5.343   5.619   3.926
  411   3HG2  VAL  54          HG23      VAL  54  -5.372   5.437   5.680
  412    H    GLN  55           HN       GLN  55  -7.259   2.064   6.678
  413    HA   GLN  55           HA       GLN  55  -4.736   1.759   7.972
  414   1HB   GLN  55           HB2      GLN  55  -7.472   1.601   8.566
  415   2HB   GLN  55           HB1      GLN  55  -6.841   0.000   8.957
  416   1HG   GLN  55           HG2      GLN  55  -6.539   1.265  10.944
  417   2HG   GLN  55           HG1      GLN  55  -4.947   1.231  10.185
  418   1HE2  GLN  55          HE22      GLN  55  -6.838   4.770  10.687
  419   2HE2  GLN  55          HE21      GLN  55  -7.493   3.316  11.268
  420    H    LYS  56           HN       LYS  56  -6.896  -0.677   6.474
  421    HA   LYS  56           HA       LYS  56  -5.212  -2.933   6.996
  422   1HB   LYS  56           HB2      LYS  56  -7.674  -2.274   5.676
  423   2HB   LYS  56           HB1      LYS  56  -6.718  -3.299   4.604
  424   1HG   LYS  56           HG2      LYS  56  -6.877  -5.111   5.980
  425   2HG   LYS  56           HG1      LYS  56  -6.737  -4.135   7.442
  426   1HD   LYS  56           HD2      LYS  56  -9.156  -3.297   6.606
  427   2HD   LYS  56           HD1      LYS  56  -9.167  -4.920   5.915
  428   1HE   LYS  56           HE2      LYS  56  -9.498  -5.856   7.954
  429   2HE   LYS  56           HE1      LYS  56  -8.143  -4.943   8.649
  430   1HZ   LYS  56           HZ3      LYS  56  -9.651  -2.952   8.555
  431   2HZ   LYS  56           HZ2      LYS  56 -10.932  -4.021   8.231
  432   3HZ   LYS  56           HZ1      LYS  56 -10.081  -4.129   9.698
  433    H    LEU  57           HN       LEU  57  -5.044  -0.405   4.536
  434    HA   LEU  57           HA       LEU  57  -3.393  -1.924   2.677
  435   1HB   LEU  57           HB2      LEU  57  -3.597   1.073   3.117
  436   2HB   LEU  57           HB1      LEU  57  -3.098   0.256   1.637
  437    HG   LEU  57           HG       LEU  57  -5.841  -0.077   2.887
  438   1HD1  LEU  57          HD12      LEU  57  -4.856   2.218   1.737
  439   2HD1  LEU  57          HD11      LEU  57  -5.603   1.401   0.366
  440   3HD1  LEU  57          HD13      LEU  57  -6.559   1.769   1.799
  441   1HD2  LEU  57          HD21      LEU  57  -4.546  -0.922   0.291
  442   2HD2  LEU  57          HD23      LEU  57  -5.401  -1.924   1.464
  443   3HD2  LEU  57          HD22      LEU  57  -6.298  -0.794   0.448
  444    H    THR  58           HN       THR  58  -2.712   0.635   5.068
  445    HA   THR  58           HA       THR  58   0.147   0.452   4.945
  446    HB   THR  58           HB       THR  58  -1.437   1.194   7.401
  447    HG1  THR  58           HG1      THR  58  -1.111   3.061   5.363
  448   1HG2  THR  58          HG22      THR  58   1.152   1.351   7.059
  449   2HG2  THR  58          HG21      THR  58   0.760   2.769   6.086
  450   3HG2  THR  58          HG23      THR  58   0.301   2.713   7.788
  451    H    LYS  59           HN       LYS  59  -2.339  -1.463   6.407
  452    HA   LYS  59           HA       LYS  59  -0.605  -2.778   8.373
  453   1HB   LYS  59           HB2      LYS  59  -3.191  -2.353   8.367
  454   2HB   LYS  59           HB1      LYS  59  -3.252  -3.792   7.347
  455   1HG   LYS  59           HG2      LYS  59  -1.639  -4.736   9.269
  456   2HG   LYS  59           HG1      LYS  59  -2.517  -3.540  10.225
  457   1HD   LYS  59           HD2      LYS  59  -3.784  -5.553  10.407
  458   2HD   LYS  59           HD1      LYS  59  -4.658  -4.548   9.250
  459   1HE   LYS  59           HE2      LYS  59  -3.279  -5.775   7.429
  460   2HE   LYS  59           HE1      LYS  59  -2.928  -6.964   8.699
  461   1HZ   LYS  59           HZ1      LYS  59  -5.398  -6.911   9.166
  462   2HZ   LYS  59           HZ3      LYS  59  -5.577  -6.109   7.682
  463   3HZ   LYS  59           HZ2      LYS  59  -4.929  -7.679   7.725
  464    H    ALA  60           HN       ALA  60  -1.620  -3.250   5.041
  465    HA   ALA  60           HA       ALA  60  -0.866  -6.048   4.865
  466   1HB   ALA  60           HB3      ALA  60  -1.875  -3.889   3.196
  467   2HB   ALA  60           HB2      ALA  60  -0.642  -4.815   2.340
  468   3HB   ALA  60           HB1      ALA  60  -2.068  -5.629   2.985
  469    H    THR  61           HN       THR  61   0.767  -2.966   4.105
  470    HA   THR  61           HA       THR  61   3.256  -4.280   3.292
  471    HB   THR  61           HB       THR  61   2.548  -2.028   2.533
  472    HG1  THR  61           HG1      THR  61   4.864  -2.734   3.140
  473   1HG2  THR  61          HG22      THR  61   1.412  -1.344   4.630
  474   2HG2  THR  61          HG21      THR  61   2.981  -1.229   5.423
  475   3HG2  THR  61          HG23      THR  61   2.580  -0.139   4.097
  476    H    ALA  62           HN       ALA  62   1.908  -2.775   6.188
  477    HA   ALA  62           HA       ALA  62   4.216  -2.919   7.851
  478   1HB   ALA  62           HB3      ALA  62   1.236  -2.837   8.192
  479   2HB   ALA  62           HB2      ALA  62   2.231  -3.166   9.610
  480   3HB   ALA  62           HB1      ALA  62   2.443  -1.662   8.713
  481    H    ASP  63           HN       ASP  63   1.897  -5.283   6.724
  482    HA   ASP  63           HA       ASP  63   2.865  -7.353   8.604
  483   1HB   ASP  63           HB2      ASP  63   0.482  -7.212   8.068
  484   2HB   ASP  63           HB1      ASP  63   0.836  -7.305   6.342
  485    H    ALA  64           HN       ALA  64   3.478  -6.166   5.402
  486    HA   ALA  64           HA       ALA  64   4.612  -8.618   4.316
  487   1HB   ALA  64           HB1      ALA  64   3.657  -6.461   3.175
  488   2HB   ALA  64           HB3      ALA  64   5.267  -5.800   3.460
  489   3HB   ALA  64           HB2      ALA  64   5.068  -7.236   2.456
  490    H    GLY  65           HN       GLY  65   5.608  -6.189   6.522
  491   1HA   GLY  65           HA2      GLY  65   7.632  -6.682   7.872
  492   2HA   GLY  65           HA1      GLY  65   8.400  -7.223   6.383
  493    H    TYR  66           HN       TYR  66   6.362  -4.402   6.409
  494    HA   TYR  66           HA       TYR  66   8.778  -2.637   6.366
  495   1HB   TYR  66           HB2      TYR  66   6.503  -2.622   4.356
  496   2HB   TYR  66           HB1      TYR  66   7.975  -1.654   4.290
  497    HD1  TYR  66           HD1      TYR  66  10.127  -3.394   4.890
  498    HD2  TYR  66           HD2      TYR  66   6.543  -4.288   2.692
  499    HE1  TYR  66           HE1      TYR  66  11.308  -5.224   3.705
  500    HE2  TYR  66           HE2      TYR  66   7.723  -6.121   1.517
  501    HH   TYR  66           HH       TYR  66   9.630  -7.540   1.770
  502    HA   PRO  67           HA       PRO  67   5.687  -0.834   9.240
  503   1HB   PRO  67           HB2      PRO  67   7.823   1.014   9.894
  504   2HB   PRO  67           HB1      PRO  67   7.116  -0.247  10.910
  505   1HG   PRO  67           HG2      PRO  67   9.691  -0.252   9.653
  506   2HG   PRO  67           HG1      PRO  67   8.965  -1.525  10.639
  507   1HD   PRO  67           HD2      PRO  67   9.441  -1.564   7.804
  508   2HD   PRO  67           HD1      PRO  67   8.641  -2.816   8.786
  509    H    SER  68           HN       SER  68   4.422   0.140   7.576
  510    HA   SER  68           HA       SER  68   5.542   2.612   6.314
  511   1HB   SER  68           HB2      SER  68   4.428   1.919   4.455
  512   2HB   SER  68           HB1      SER  68   4.361   0.364   5.274
  513    HG   SER  68           HG       SER  68   2.397   2.328   4.945
  514    H    SER  69           HN       SER  69   3.274   3.872   5.558
  515    HA   SER  69           HA       SER  69   1.422   4.250   7.810
  516   1HB   SER  69           HB2      SER  69   3.822   5.857   7.347
  517   2HB   SER  69           HB1      SER  69   2.362   6.841   7.295
  518    HG   SER  69           HG       SER  69   2.863   4.941   9.333
  519    H    VAL  70           HN       VAL  70   0.160   6.522   6.985
  520    HA   VAL  70           HA       VAL  70  -0.240   6.140   4.049
  521    HB   VAL  70           HB       VAL  70  -1.780   4.939   5.677
  522   1HG1  VAL  70          HG11      VAL  70  -1.860   7.277   7.002
  523   2HG1  VAL  70          HG13      VAL  70  -3.276   7.500   5.975
  524   3HG1  VAL  70          HG12      VAL  70  -3.187   6.117   7.065
  525   1HG2  VAL  70          HG21      VAL  70  -2.313   6.355   3.246
  526   2HG2  VAL  70          HG23      VAL  70  -3.105   4.899   3.847
  527   3HG2  VAL  70          HG22      VAL  70  -3.740   6.488   4.273
  528    H    LYS  71           HN       LYS  71  -1.339   7.988   2.988
  529    HA   LYS  71           HA       LYS  71  -1.270  10.532   4.568
  530   1HB   LYS  71           HB2      LYS  71   0.284  11.542   2.994
  531   2HB   LYS  71           HB1      LYS  71   0.990  10.041   3.597
  532   1HG   LYS  71           HG2      LYS  71  -0.394   9.097   1.462
  533   2HG   LYS  71           HG1      LYS  71   0.020  10.711   0.880
  534   1HD   LYS  71           HD2      LYS  71   2.302   9.554   2.196
  535   2HD   LYS  71           HD1      LYS  71   1.696   8.433   0.976
  536   1HE   LYS  71           HE2      LYS  71   3.049   9.759  -0.374
  537   2HE   LYS  71           HE1      LYS  71   1.553  10.711  -0.459
  538   1HZ   LYS  71           HZ1      LYS  71   2.309  11.905   1.552
  539   2HZ   LYS  71           HZ3      LYS  71   3.793  11.088   1.457
  540   3HZ   LYS  71           HZ2      LYS  71   3.330  12.153   0.217
  541    H    GLN  72           HN       GLN  72  -3.642   9.503   3.719
  542    HA   GLN  72           HA       GLN  72  -4.643  11.550   1.949
  543   1HB   GLN  72           HB2      GLN  72  -3.545  10.253   0.252
  544   2HB   GLN  72           HB1      GLN  72  -4.171   8.746   0.924
  545   1HG   GLN  72           HG2      GLN  72  -6.135   8.961  -0.146
  546   2HG   GLN  72           HG1      GLN  72  -6.289  10.650   0.334
  547   1HE2  GLN  72          HE22      GLN  72  -3.836  10.284  -2.914
  548   2HE2  GLN  72          HE21      GLN  72  -3.476   9.460  -1.475
   
  No H/Q in entry =         548
  Start of MODEL   12
    1   1H    ALA   1           HT2      ALA   1  18.455   1.772   1.436
    2   2H    ALA   1           HT1      ALA   1  18.757   2.166  -0.188
    3   3H    ALA   1           HT3      ALA   1  17.700   3.121   0.733
    4    HA   ALA   1           HA       ALA   1  16.474   1.650  -0.785
    5   1HB   ALA   1           HB3      ALA   1  18.423  -0.165   0.491
    6   2HB   ALA   1           HB2      ALA   1  16.804  -0.840   0.309
    7   3HB   ALA   1           HB1      ALA   1  17.682  -0.259  -1.106
    8    H    THR   2           HN       THR   2  15.552   3.212   1.122
    9    HA   THR   2           HA       THR   2  13.660   1.578   2.647
   10    HB   THR   2           HB       THR   2  14.509   3.438   4.484
   11    HG1  THR   2           HG1      THR   2  16.495   3.920   4.091
   12   1HG2  THR   2          HG22      THR   2  14.091   0.862   4.582
   13   2HG2  THR   2          HG21      THR   2  15.833   0.750   4.330
   14   3HG2  THR   2          HG23      THR   2  15.199   1.591   5.745
   15    H    GLN   3           HN       GLN   3  12.172   2.664   1.136
   16    HA   GLN   3           HA       GLN   3  11.840   5.589   1.725
   17   1HB   GLN   3           HB2      GLN   3  10.830   4.705  -0.873
   18   2HB   GLN   3           HB1      GLN   3  11.925   6.029  -0.495
   19   1HG   GLN   3           HG2      GLN   3  13.709   4.163  -0.158
   20   2HG   GLN   3           HG1      GLN   3  12.586   3.142  -1.056
   21   1HE2  GLN   3          HE22      GLN   3  14.050   6.429  -3.063
   22   2HE2  GLN   3          HE21      GLN   3  13.672   6.576  -1.415
   23    H    THR   4           HN       THR   4   9.698   6.394   1.714
   24    HA   THR   4           HA       THR   4   7.555   4.321   1.960
   25    HB   THR   4           HB       THR   4   7.492   5.195   4.065
   26    HG1  THR   4           HG1      THR   4   6.293   7.211   4.126
   27   1HG2  THR   4          HG21      THR   4   8.918   7.607   2.957
   28   2HG2  THR   4          HG23      THR   4   8.431   7.454   4.645
   29   3HG2  THR   4          HG22      THR   4   9.601   6.326   3.959
   30    H    VAL   5           HN       VAL   5   5.468   4.951   1.135
   31    HA   VAL   5           HA       VAL   5   5.348   7.445  -0.507
   32    HB   VAL   5           HB       VAL   5   4.687   6.142  -2.465
   33   1HG1  VAL   5          HG13      VAL   5   7.197   6.409  -1.648
   34   2HG1  VAL   5          HG12      VAL   5   7.098   4.656  -1.489
   35   3HG1  VAL   5          HG11      VAL   5   6.811   5.417  -3.054
   36   1HG2  VAL   5          HG23      VAL   5   3.668   4.306  -0.945
   37   2HG2  VAL   5          HG22      VAL   5   4.434   3.792  -2.448
   38   3HG2  VAL   5          HG21      VAL   5   5.295   3.624  -0.917
   39    H    THR   6           HN       THR   6   3.048   7.661  -1.357
   40    HA   THR   6           HA       THR   6   1.144   6.655   0.709
   41    HB   THR   6           HB       THR   6   1.794   9.224  -0.364
   42    HG1  THR   6           HG1      THR   6   0.947   9.626   1.483
   43   1HG2  THR   6          HG23      THR   6   0.106   8.518  -2.174
   44   2HG2  THR   6          HG22      THR   6  -1.113   8.613  -0.904
   45   3HG2  THR   6          HG21      THR   6  -0.195  10.050  -1.354
   46    H    LEU   7           HN       LEU   7  -0.982   5.923  -0.181
   47    HA   LEU   7           HA       LEU   7  -0.793   5.294  -3.104
   48   1HB   LEU   7           HB2      LEU   7  -0.678   3.513  -0.838
   49   2HB   LEU   7           HB1      LEU   7  -2.098   3.139  -1.807
   50    HG   LEU   7           HG       LEU   7  -0.750   2.940  -3.797
   51   1HD1  LEU   7          HD13      LEU   7   1.367   4.083  -2.020
   52   2HD1  LEU   7          HD12      LEU   7   1.821   3.077  -3.396
   53   3HD1  LEU   7          HD11      LEU   7   0.899   4.554  -3.649
   54   1HD2  LEU   7          HD23      LEU   7   0.030   1.427  -1.349
   55   2HD2  LEU   7          HD22      LEU   7  -0.608   0.824  -2.879
   56   3HD2  LEU   7          HD21      LEU   7   1.095   1.261  -2.745
   57    H    ALA   8           HN       ALA   8  -2.735   5.182  -4.199
   58    HA   ALA   8           HA       ALA   8  -5.158   6.142  -2.700
   59   1HB   ALA   8           HB1      ALA   8  -3.996   7.666  -4.395
   60   2HB   ALA   8           HB3      ALA   8  -4.489   6.511  -5.634
   61   3HB   ALA   8           HB2      ALA   8  -5.709   7.372  -4.697
   62    H    VAL   9           HN       VAL   9  -6.507   4.368  -2.470
   63    HA   VAL   9           HA       VAL   9  -6.590   2.387  -4.716
   64    HB   VAL   9           HB       VAL   9  -7.383   2.224  -1.793
   65   1HG1  VAL   9          HG13      VAL   9  -8.134   0.602  -4.004
   66   2HG1  VAL   9          HG12      VAL   9  -6.955  -0.314  -3.066
   67   3HG1  VAL   9          HG11      VAL   9  -8.418   0.293  -2.291
   68   1HG2  VAL   9          HG21      VAL   9  -4.891   2.416  -2.505
   69   2HG2  VAL   9          HG23      VAL   9  -5.344   1.093  -1.430
   70   3HG2  VAL   9          HG22      VAL   9  -5.103   0.789  -3.150
   71    HA   PRO  10           HA       PRO  10 -10.668   4.741  -4.864
   72   1HB   PRO  10           HB2      PRO  10 -10.575   4.300  -7.697
   73   2HB   PRO  10           HB1      PRO  10 -10.403   5.833  -6.835
   74   1HG   PRO  10           HG2      PRO  10  -8.355   4.269  -8.163
   75   2HG   PRO  10           HG1      PRO  10  -8.223   5.878  -7.447
   76   1HD   PRO  10           HD2      PRO  10  -7.103   3.467  -6.431
   77   2HD   PRO  10           HD1      PRO  10  -7.167   5.043  -5.609
   78    H    GLY  11           HN       GLY  11  -9.354   1.692  -5.778
   79   1HA   GLY  11           HA2      GLY  11 -11.892   0.530  -6.672
   80   2HA   GLY  11           HA1      GLY  11 -10.377  -0.343  -6.434
   81    H    MET  12           HN       MET  12 -11.266   1.658  -3.798
   82    HA   MET  12           HA       MET  12 -11.939  -0.754  -2.213
   83   1HB   MET  12           HB2      MET  12 -11.483   0.747  -0.289
   84   2HB   MET  12           HB1      MET  12 -10.137   0.725  -1.422
   85   1HG   MET  12           HG2      MET  12 -10.408   3.005  -0.951
   86   2HG   MET  12           HG1      MET  12 -11.272   2.822  -2.471
   87   1HE   MET  12           HE2      MET  12 -10.985   3.356   0.945
   88   2HE   MET  12           HE1      MET  12 -12.141   4.676   1.108
   89   3HE   MET  12           HE3      MET  12 -12.529   3.072   1.742
   90    H    THR  13           HN       THR  13 -13.469   0.448  -0.189
   91    HA   THR  13           HA       THR  13 -15.609   2.090  -1.136
   92    HB   THR  13           HB       THR  13 -16.063   0.339  -2.688
   93    HG1  THR  13           HG1      THR  13 -18.010   0.802  -1.964
   94   1HG2  THR  13          HG22      THR  13 -15.622  -1.465  -0.312
   95   2HG2  THR  13          HG21      THR  13 -16.432  -2.031  -1.772
   96   3HG2  THR  13          HG23      THR  13 -14.766  -1.459  -1.854
   97    H    CYS  14           HN       CYS  14 -14.489  -0.375   1.152
   98    HA   CYS  14           HA       CYS  14 -15.996   1.001   3.279
   99   1HB   CYS  14           HB2      CYS  14 -17.502  -0.743   3.733
  100   2HB   CYS  14           HB1      CYS  14 -17.447  -0.749   1.974
  101    H    ALA  15           HN       ALA  15 -15.816  -1.254   5.100
  102    HA   ALA  15           HA       ALA  15 -12.959  -1.046   5.780
  103   1HB   ALA  15           HB3      ALA  15 -15.414  -1.307   7.112
  104   2HB   ALA  15           HB2      ALA  15 -14.596  -2.846   7.382
  105   3HB   ALA  15           HB1      ALA  15 -13.816  -1.338   7.858
  106    H    ALA  16           HN       ALA  16 -13.400  -2.498   3.344
  107    HA   ALA  16           HA       ALA  16 -12.350  -5.159   4.170
  108   1HB   ALA  16           HB2      ALA  16 -14.964  -4.888   3.663
  109   2HB   ALA  16           HB1      ALA  16 -14.401  -5.046   1.999
  110   3HB   ALA  16           HB3      ALA  16 -14.076  -6.328   3.165
  111    H    CYS  17           HN       CYS  17 -12.958  -2.837   1.519
  112    HA   CYS  17           HA       CYS  17 -11.019  -4.258  -0.193
  113   1HB   CYS  17           HB2      CYS  17 -12.482  -1.662  -0.723
  114   2HB   CYS  17           HB1      CYS  17 -11.823  -2.784  -1.906
  115    HA   PRO  18           HA       PRO  18  -8.610  -0.193   0.501
  116   1HB   PRO  18           HB2      PRO  18  -9.446   1.308   2.685
  117   2HB   PRO  18           HB1      PRO  18  -9.900   1.629   1.012
  118   1HG   PRO  18           HG2      PRO  18 -11.544   0.552   3.193
  119   2HG   PRO  18           HG1      PRO  18 -12.052   1.263   1.658
  120   1HD   PRO  18           HD2      PRO  18 -12.023  -1.511   2.361
  121   2HD   PRO  18           HD1      PRO  18 -12.395  -0.809   0.770
  122    H    ILE  19           HN       ILE  19 -10.072  -1.430   3.501
  123    HA   ILE  19           HA       ILE  19  -7.817  -1.472   5.216
  124    HB   ILE  19           HB       ILE  19 -10.405  -2.104   5.337
  125   1HG1  ILE  19          HG12      ILE  19  -8.221  -3.281   7.073
  126   2HG1  ILE  19          HG11      ILE  19  -9.062  -1.754   7.323
  127   1HG2  ILE  19          HG22      ILE  19  -9.051  -4.800   5.131
  128   2HG2  ILE  19          HG21      ILE  19 -10.720  -4.535   5.638
  129   3HG2  ILE  19          HG23      ILE  19 -10.225  -4.140   3.992
  130   1HD1  ILE  19          HD11      ILE  19 -11.199  -3.007   7.589
  131   2HD1  ILE  19          HD13      ILE  19 -10.298  -4.517   7.447
  132   3HD1  ILE  19          HD12      ILE  19 -10.004  -3.441   8.813
  133    H    THR  20           HN       THR  20  -8.879  -3.778   2.737
  134    HA   THR  20           HA       THR  20  -7.003  -5.877   3.255
  135    HB   THR  20           HB       THR  20  -8.505  -4.905   0.799
  136    HG1  THR  20           HG1      THR  20  -8.832  -6.810   2.817
  137   1HG2  THR  20          HG22      THR  20  -6.644  -7.271   1.119
  138   2HG2  THR  20          HG21      THR  20  -7.873  -7.185  -0.144
  139   3HG2  THR  20          HG23      THR  20  -6.574  -5.993  -0.095
  140    H    VAL  21           HN       VAL  21  -6.772  -2.788   1.737
  141    HA   VAL  21           HA       VAL  21  -4.394  -3.262   0.196
  142    HB   VAL  21           HB       VAL  21  -5.441  -0.693   1.426
  143   1HG1  VAL  21          HG11      VAL  21  -3.147  -1.263  -0.128
  144   2HG1  VAL  21          HG13      VAL  21  -4.291  -0.461  -1.205
  145   3HG1  VAL  21          HG12      VAL  21  -3.790   0.325   0.292
  146   1HG2  VAL  21          HG23      VAL  21  -6.256  -2.257  -1.018
  147   2HG2  VAL  21          HG22      VAL  21  -7.282  -1.521   0.214
  148   3HG2  VAL  21          HG21      VAL  21  -6.457  -0.506  -0.969
  149    H    LYS  22           HN       LYS  22  -5.112  -2.377   3.505
  150    HA   LYS  22           HA       LYS  22  -2.465  -1.590   4.292
  151   1HB   LYS  22           HB2      LYS  22  -4.433  -1.018   5.603
  152   2HB   LYS  22           HB1      LYS  22  -4.869  -2.714   5.767
  153   1HG   LYS  22           HG2      LYS  22  -3.525  -2.951   7.554
  154   2HG   LYS  22           HG1      LYS  22  -2.155  -2.276   6.674
  155   1HD   LYS  22           HD2      LYS  22  -2.992   0.011   7.152
  156   2HD   LYS  22           HD1      LYS  22  -4.323  -0.685   8.078
  157   1HE   LYS  22           HE2      LYS  22  -2.234  -1.952   9.265
  158   2HE   LYS  22           HE1      LYS  22  -1.458  -0.421   8.814
  159   1HZ   LYS  22           HZ3      LYS  22  -3.311   0.775   9.797
  160   2HZ   LYS  22           HZ2      LYS  22  -4.057  -0.687  10.233
  161   3HZ   LYS  22           HZ1      LYS  22  -2.587  -0.232  10.953
  162    H    LYS  23           HN       LYS  23  -4.302  -4.614   4.332
  163    HA   LYS  23           HA       LYS  23  -2.262  -6.188   5.575
  164   1HB   LYS  23           HB2      LYS  23  -4.689  -6.741   5.415
  165   2HB   LYS  23           HB1      LYS  23  -4.488  -6.979   3.679
  166   1HG   LYS  23           HG2      LYS  23  -2.660  -8.469   5.516
  167   2HG   LYS  23           HG1      LYS  23  -4.328  -9.027   5.375
  168   1HD   LYS  23           HD2      LYS  23  -3.887  -8.787   2.791
  169   2HD   LYS  23           HD1      LYS  23  -2.192  -8.898   3.268
  170   1HE   LYS  23           HE2      LYS  23  -3.627 -10.923   4.697
  171   2HE   LYS  23           HE1      LYS  23  -4.062 -11.042   2.981
  172   1HZ   LYS  23           HZ2      LYS  23  -1.561 -10.641   2.606
  173   2HZ   LYS  23           HZ1      LYS  23  -1.386 -11.143   4.219
  174   3HZ   LYS  23           HZ3      LYS  23  -2.069 -12.193   3.075
  175    H    ALA  24           HN       ALA  24  -2.807  -5.080   2.358
  176    HA   ALA  24           HA       ALA  24  -1.186  -6.975   0.948
  177   1HB   ALA  24           HB3      ALA  24  -3.013  -5.274   0.182
  178   2HB   ALA  24           HB2      ALA  24  -1.672  -4.130   0.102
  179   3HB   ALA  24           HB1      ALA  24  -1.649  -5.587  -0.892
  180    H    LEU  25           HN       LEU  25  -0.530  -3.568   1.889
  181    HA   LEU  25           HA       LEU  25   2.203  -3.523   1.085
  182   1HB   LEU  25           HB2      LEU  25   1.008  -2.077   3.459
  183   2HB   LEU  25           HB1      LEU  25   2.304  -1.521   2.403
  184    HG   LEU  25           HG       LEU  25  -0.015  -2.130   0.815
  185   1HD1  LEU  25          HD12      LEU  25  -1.020  -1.639   3.158
  186   2HD1  LEU  25          HD11      LEU  25  -0.524   0.026   2.857
  187   3HD1  LEU  25          HD13      LEU  25  -1.674  -0.761   1.775
  188   1HD2  LEU  25          HD22      LEU  25   2.070  -0.264   0.949
  189   2HD2  LEU  25          HD21      LEU  25   0.780  -0.299  -0.253
  190   3HD2  LEU  25          HD23      LEU  25   0.609   0.693   1.195
  191    H    SER  26           HN       SER  26   0.665  -4.568   4.090
  192    HA   SER  26           HA       SER  26   3.131  -4.957   5.563
  193   1HB   SER  26           HB2      SER  26   0.380  -4.922   6.039
  194   2HB   SER  26           HB1      SER  26   0.834  -6.598   6.332
  195    HG   SER  26           HG       SER  26   2.371  -5.885   7.798
  196    H    LYS  27           HN       LYS  27   1.319  -6.799   3.223
  197    HA   LYS  27           HA       LYS  27   2.859  -9.244   3.872
  198   1HB   LYS  27           HB2      LYS  27   0.685  -9.932   3.593
  199   2HB   LYS  27           HB1      LYS  27   0.281  -8.537   2.602
  200   1HG   LYS  27           HG2      LYS  27   2.049 -10.723   1.529
  201   2HG   LYS  27           HG1      LYS  27   0.291 -10.860   1.463
  202   1HD   LYS  27           HD2      LYS  27   1.105  -8.230   0.591
  203   2HD   LYS  27           HD1      LYS  27   1.959  -9.462  -0.339
  204   1HE   LYS  27           HE2      LYS  27  -0.388 -10.594  -0.560
  205   2HE   LYS  27           HE1      LYS  27  -1.011  -8.991  -0.121
  206   1HZ   LYS  27           HZ2      LYS  27   1.160  -9.019  -2.049
  207   2HZ   LYS  27           HZ1      LYS  27  -0.314  -9.654  -2.609
  208   3HZ   LYS  27           HZ3      LYS  27  -0.249  -8.069  -2.012
  209    H    VAL  28           HN       VAL  28   3.077  -6.554   1.893
  210    HA   VAL  28           HA       VAL  28   3.812  -7.386  -0.656
  211    HB   VAL  28           HB       VAL  28   4.737  -5.269   1.264
  212   1HG1  VAL  28          HG12      VAL  28   6.185  -6.174  -1.154
  213   2HG1  VAL  28          HG11      VAL  28   5.868  -4.440  -1.080
  214   3HG1  VAL  28          HG13      VAL  28   6.764  -5.228   0.218
  215   1HG2  VAL  28          HG22      VAL  28   2.569  -5.297  -0.169
  216   2HG2  VAL  28          HG21      VAL  28   3.541  -3.825  -0.167
  217   3HG2  VAL  28          HG23      VAL  28   3.639  -4.945  -1.525
  218    H    GLU  29           HN       GLU  29   6.462  -6.588   1.553
  219    HA   GLU  29           HA       GLU  29   7.684  -9.097   1.878
  220   1HB   GLU  29           HB2      GLU  29   7.920  -9.559  -0.370
  221   2HB   GLU  29           HB1      GLU  29   7.878  -7.856  -0.826
  222   1HG   GLU  29           HG2      GLU  29  10.157  -7.540  -0.293
  223   2HG   GLU  29           HG1      GLU  29  10.233  -9.031   0.645
  224    H    GLY  30           HN       GLY  30   8.458  -5.772   0.788
  225   1HA   GLY  30           HA2      GLY  30  10.682  -5.734   2.760
  226   2HA   GLY  30           HA1      GLY  30  10.553  -4.644   1.385
  227    H    VAL  31           HN       VAL  31   7.569  -4.393   2.097
  228    HA   VAL  31           HA       VAL  31   7.491  -1.924   3.325
  229    HB   VAL  31           HB       VAL  31   5.634  -4.300   3.657
  230   1HG1  VAL  31          HG12      VAL  31   5.241  -2.593   5.405
  231   2HG1  VAL  31          HG11      VAL  31   5.132  -1.348   4.160
  232   3HG1  VAL  31          HG13      VAL  31   3.917  -2.624   4.240
  233   1HG2  VAL  31          HG23      VAL  31   5.856  -2.012   1.693
  234   2HG2  VAL  31          HG22      VAL  31   5.795  -3.740   1.350
  235   3HG2  VAL  31          HG21      VAL  31   4.348  -2.900   1.908
  236    H    SER  32           HN       SER  32   8.119  -1.176   5.263
  237    HA   SER  32           HA       SER  32   8.511  -3.123   7.499
  238   1HB   SER  32           HB2      SER  32   9.979  -0.754   6.432
  239   2HB   SER  32           HB1      SER  32   9.984  -0.962   8.181
  240    HG   SER  32           HG       SER  32  10.571  -3.079   6.398
  241    H    LYS  33           HN       LYS  33   6.667  -0.566   6.311
  242    HA   LYS  33           HA       LYS  33   5.391  -0.198   8.965
  243   1HB   LYS  33           HB2      LYS  33   7.309   1.530   8.056
  244   2HB   LYS  33           HB1      LYS  33   5.836   2.280   7.435
  245   1HG   LYS  33           HG2      LYS  33   5.075   2.802   9.495
  246   2HG   LYS  33           HG1      LYS  33   5.643   1.285  10.192
  247   1HD   LYS  33           HD2      LYS  33   8.019   2.286   9.907
  248   2HD   LYS  33           HD1      LYS  33   7.191   3.833   9.729
  249   1HE   LYS  33           HE2      LYS  33   6.070   2.447  11.990
  250   2HE   LYS  33           HE1      LYS  33   7.836   2.506  12.158
  251   1HZ   LYS  33           HZ3      LYS  33   7.733   4.874  11.536
  252   2HZ   LYS  33           HZ2      LYS  33   6.036   4.792  11.545
  253   3HZ   LYS  33           HZ1      LYS  33   6.909   4.551  12.983
  254    H    VAL  34           HN       VAL  34   3.237   0.682   8.757
  255    HA   VAL  34           HA       VAL  34   2.132   1.054   6.042
  256    HB   VAL  34           HB       VAL  34   2.159  -1.358   6.339
  257   1HG1  VAL  34          HG13      VAL  34   1.510  -0.606   9.069
  258   2HG1  VAL  34          HG12      VAL  34   0.394  -1.832   8.467
  259   3HG1  VAL  34          HG11      VAL  34   2.131  -2.138   8.453
  260   1HG2  VAL  34          HG21      VAL  34  -0.551  -0.064   6.736
  261   2HG2  VAL  34          HG23      VAL  34   0.184  -0.580   5.218
  262   3HG2  VAL  34          HG22      VAL  34  -0.358  -1.782   6.390
  263    H    ASP  35           HN       ASP  35   0.590   2.593   6.149
  264    HA   ASP  35           HA       ASP  35  -1.192   2.825   8.503
  265   1HB   ASP  35           HB2      ASP  35   1.097   4.564   7.855
  266   2HB   ASP  35           HB1      ASP  35  -0.414   5.453   8.051
  267    H    VAL  36           HN       VAL  36  -2.813   2.226   6.922
  268    HA   VAL  36           HA       VAL  36  -3.173   4.142   4.659
  269    HB   VAL  36           HB       VAL  36  -4.230   2.336   3.547
  270   1HG1  VAL  36          HG12      VAL  36  -2.127   1.116   5.361
  271   2HG1  VAL  36          HG11      VAL  36  -2.689   0.426   3.839
  272   3HG1  VAL  36          HG13      VAL  36  -1.813   1.957   3.843
  273   1HG2  VAL  36          HG21      VAL  36  -5.728   1.778   5.518
  274   2HG2  VAL  36          HG23      VAL  36  -5.126   0.383   4.629
  275   3HG2  VAL  36          HG22      VAL  36  -4.395   0.828   6.171
  276    H    GLY  37           HN       GLY  37  -5.833   3.550   4.141
  277   1HA   GLY  37           HA2      GLY  37  -7.370   4.269   6.562
  278   2HA   GLY  37           HA1      GLY  37  -7.437   5.381   5.190
  279    H    PHE  38           HN       PHE  38  -8.807   2.614   6.541
  280    HA   PHE  38           HA       PHE  38  -9.583   0.983   4.419
  281   1HB   PHE  38           HB2      PHE  38 -11.243   1.849   6.806
  282   2HB   PHE  38           HB1      PHE  38 -11.367   0.321   5.938
  283    HD1  PHE  38           HD2      PHE  38  -8.047   0.646   5.711
  284    HD2  PHE  38           HD1      PHE  38 -10.991   0.244   8.816
  285    HE1  PHE  38           HE2      PHE  38  -6.327  -0.314   7.219
  286    HE2  PHE  38           HE1      PHE  38  -9.272  -0.716  10.320
  287    HZ   PHE  38           HZ       PHE  38  -6.941  -0.994   9.524
  288    H    GLU  39           HN       GLU  39 -12.362   2.617   5.694
  289    HA   GLU  39           HA       GLU  39 -13.623   3.076   3.229
  290   1HB   GLU  39           HB2      GLU  39 -13.829   4.127   6.021
  291   2HB   GLU  39           HB1      GLU  39 -14.792   4.908   4.766
  292   1HG   GLU  39           HG2      GLU  39 -14.892   1.993   4.586
  293   2HG   GLU  39           HG1      GLU  39 -15.487   2.591   6.135
  294    H    LYS  40           HN       LYS  40 -10.949   4.837   4.539
  295    HA   LYS  40           HA       LYS  40 -11.575   7.399   3.258
  296   1HB   LYS  40           HB2      LYS  40  -9.187   6.176   4.656
  297   2HB   LYS  40           HB1      LYS  40  -9.148   7.808   3.988
  298   1HG   LYS  40           HG2      LYS  40 -10.087   8.531   5.903
  299   2HG   LYS  40           HG1      LYS  40 -11.552   7.666   5.438
  300   1HD   LYS  40           HD2      LYS  40 -10.317   5.577   6.428
  301   2HD   LYS  40           HD1      LYS  40  -9.336   6.779   7.266
  302   1HE   LYS  40           HE2      LYS  40 -11.611   7.836   7.973
  303   2HE   LYS  40           HE1      LYS  40 -12.298   6.260   7.529
  304   1HZ   LYS  40           HZ2      LYS  40 -10.102   5.526   8.869
  305   2HZ   LYS  40           HZ1      LYS  40 -10.514   6.943   9.712
  306   3HZ   LYS  40           HZ3      LYS  40 -11.634   5.676   9.586
  307    H    ARG  41           HN       ARG  41  -9.874   4.482   2.383
  308    HA   ARG  41           HA       ARG  41  -8.964   3.780   0.325
  309   1HB   ARG  41           HB2      ARG  41 -10.982   5.104  -0.473
  310   2HB   ARG  41           HB1      ARG  41  -9.890   6.466  -0.694
  311   1HG   ARG  41           HG2      ARG  41  -8.855   3.990  -1.860
  312   2HG   ARG  41           HG1      ARG  41 -10.393   4.477  -2.567
  313   1HD   ARG  41           HD2      ARG  41  -7.806   6.056  -2.481
  314   2HD   ARG  41           HD1      ARG  41  -8.756   5.582  -3.898
  315    HE   ARG  41           HE       ARG  41 -10.530   7.066  -2.351
  316   1HH1  ARG  41          HH21      ARG  41  -7.388   7.524  -3.708
  317   2HH1  ARG  41          HH22      ARG  41  -7.586   9.231  -3.919
  318   1HH2  ARG  41          HH11      ARG  41 -10.800   9.292  -2.621
  319   2HH2  ARG  41          HH12      ARG  41  -9.516  10.231  -3.305
  320    H    GLU  42           HN       GLU  42  -7.018   4.459   1.910
  321    HA   GLU  42           HA       GLU  42  -5.113   5.879   0.161
  322   1HB   GLU  42           HB2      GLU  42  -6.434   7.644   1.384
  323   2HB   GLU  42           HB1      GLU  42  -5.792   7.002   2.896
  324   1HG   GLU  42           HG2      GLU  42  -3.832   8.076   2.604
  325   2HG   GLU  42           HG1      GLU  42  -3.665   7.440   0.967
  326    H    ALA  43           HN       ALA  43  -3.383   4.446   0.311
  327    HA   ALA  43           HA       ALA  43  -2.735   3.360   3.023
  328   1HB   ALA  43           HB1      ALA  43  -2.531   2.356   0.205
  329   2HB   ALA  43           HB3      ALA  43  -1.443   1.701   1.428
  330   3HB   ALA  43           HB2      ALA  43  -3.188   1.545   1.626
  331    H    VAL  44           HN       VAL  44  -1.064   4.496   3.934
  332    HA   VAL  44           HA       VAL  44   1.130   5.430   2.116
  333    HB   VAL  44           HB       VAL  44   0.133   6.424   4.796
  334   1HG1  VAL  44          HG13      VAL  44   2.613   6.697   4.372
  335   2HG1  VAL  44          HG12      VAL  44   2.194   7.682   2.970
  336   3HG1  VAL  44          HG11      VAL  44   1.737   8.211   4.589
  337   1HG2  VAL  44          HG23      VAL  44  -0.378   7.163   1.962
  338   2HG2  VAL  44          HG22      VAL  44  -1.448   7.263   3.361
  339   3HG2  VAL  44          HG21      VAL  44  -0.204   8.488   3.113
  340    H    VAL  45           HN       VAL  45   2.985   4.222   2.358
  341    HA   VAL  45           HA       VAL  45   3.500   3.096   5.100
  342    HB   VAL  45           HB       VAL  45   4.105   0.977   4.029
  343   1HG1  VAL  45          HG13      VAL  45   1.557   1.973   4.390
  344   2HG1  VAL  45          HG12      VAL  45   1.507   1.369   2.733
  345   3HG1  VAL  45          HG11      VAL  45   1.952   0.288   4.053
  346   1HG2  VAL  45          HG23      VAL  45   3.323   2.427   1.489
  347   2HG2  VAL  45          HG22      VAL  45   4.910   1.770   1.891
  348   3HG2  VAL  45          HG21      VAL  45   3.554   0.682   1.596
  349    H    THR  46           HN       THR  46   5.670   1.916   5.046
  350    HA   THR  46           HA       THR  46   7.809   3.509   3.653
  351    HB   THR  46           HB       THR  46   7.407   2.643   6.528
  352    HG1  THR  46           HG1      THR  46   7.358   4.706   6.821
  353   1HG2  THR  46          HG23      THR  46   9.974   2.952   5.020
  354   2HG2  THR  46          HG22      THR  46   9.907   3.466   6.706
  355   3HG2  THR  46          HG21      THR  46   9.550   1.793   6.279
  356    H    PHE  47           HN       PHE  47   9.755   2.085   3.288
  357    HA   PHE  47           HA       PHE  47   9.589  -0.729   3.974
  358   1HB   PHE  47           HB2      PHE  47   9.037  -1.564   1.751
  359   2HB   PHE  47           HB1      PHE  47   7.777  -0.444   2.271
  360    HD1  PHE  47           HD2      PHE  47  10.867  -0.724   0.173
  361    HD2  PHE  47           HD1      PHE  47   7.340   1.562   1.103
  362    HE1  PHE  47           HE2      PHE  47  11.262   0.698  -1.808
  363    HE2  PHE  47           HE1      PHE  47   7.741   2.981  -0.888
  364    HZ   PHE  47           HZ       PHE  47   9.693   2.546  -2.342
  365    H    ASP  48           HN       ASP  48  11.155  -1.988   2.457
  366    HA   ASP  48           HA       ASP  48  13.584  -0.295   2.101
  367   1HB   ASP  48           HB2      ASP  48  13.215  -3.290   2.486
  368   2HB   ASP  48           HB1      ASP  48  14.768  -2.456   2.413
  369    H    ASP  49           HN       ASP  49  13.925   0.188  -0.033
  370    HA   ASP  49           HA       ASP  49  12.461  -1.015  -2.155
  371   1HB   ASP  49           HB2      ASP  49  13.343   0.766  -3.239
  372   2HB   ASP  49           HB1      ASP  49  14.137   1.168  -1.721
  373    H    THR  50           HN       THR  50  15.083  -2.294  -0.428
  374    HA   THR  50           HA       THR  50  16.428  -3.708  -2.580
  375    HB   THR  50           HB       THR  50  17.520  -3.176  -0.469
  376    HG1  THR  50           HG1      THR  50  17.865  -5.536   0.201
  377   1HG2  THR  50          HG22      THR  50  15.058  -4.386   0.615
  378   2HG2  THR  50          HG21      THR  50  16.537  -4.838   1.462
  379   3HG2  THR  50          HG23      THR  50  16.098  -3.138   1.300
  380    H    LYS  51           HN       LYS  51  13.616  -4.375  -0.564
  381    HA   LYS  51           HA       LYS  51  13.402  -7.071  -1.862
  382   1HB   LYS  51           HB2      LYS  51  13.121  -6.077   0.907
  383   2HB   LYS  51           HB1      LYS  51  11.865  -7.207   0.399
  384   1HG   LYS  51           HG2      LYS  51  14.205  -8.350  -0.581
  385   2HG   LYS  51           HG1      LYS  51  14.679  -7.715   0.995
  386   1HD   LYS  51           HD2      LYS  51  12.219  -9.424   0.537
  387   2HD   LYS  51           HD1      LYS  51  13.772 -10.060   1.083
  388   1HE   LYS  51           HE2      LYS  51  12.487  -7.763   2.558
  389   2HE   LYS  51           HE1      LYS  51  12.006  -9.436   2.903
  390   1HZ   LYS  51           HZ3      LYS  51  14.861  -8.779   2.678
  391   2HZ   LYS  51           HZ2      LYS  51  14.047  -8.403   4.121
  392   3HZ   LYS  51           HZ1      LYS  51  14.110 -10.011   3.571
  393    H    ALA  52           HN       ALA  52  11.989  -4.009  -1.450
  394    HA   ALA  52           HA       ALA  52   9.573  -4.858  -2.961
  395   1HB   ALA  52           HB3      ALA  52   9.585  -4.546  -0.190
  396   2HB   ALA  52           HB2      ALA  52   8.953  -3.009  -0.780
  397   3HB   ALA  52           HB1      ALA  52   8.156  -4.519  -1.221
  398    H    SER  53           HN       SER  53   8.225  -2.449  -2.907
  399    HA   SER  53           HA       SER  53   9.864  -0.117  -3.189
  400   1HB   SER  53           HB2      SER  53  10.034  -2.081  -5.267
  401   2HB   SER  53           HB1      SER  53   9.257  -0.644  -5.924
  402    HG   SER  53           HG       SER  53  11.838  -1.049  -5.195
  403    H    VAL  54           HN       VAL  54   8.657   1.686  -4.092
  404    HA   VAL  54           HA       VAL  54   6.003   1.988  -3.407
  405    HB   VAL  54           HB       VAL  54   7.569   3.747  -4.183
  406   1HG1  VAL  54          HG12      VAL  54   8.338   2.222  -6.143
  407   2HG1  VAL  54          HG11      VAL  54   6.955   2.893  -7.007
  408   3HG1  VAL  54          HG13      VAL  54   8.236   3.959  -6.432
  409   1HG2  VAL  54          HG21      VAL  54   4.920   3.798  -4.402
  410   2HG2  VAL  54          HG23      VAL  54   5.908   5.124  -5.011
  411   3HG2  VAL  54          HG22      VAL  54   5.298   3.896  -6.121
  412    H    GLN  55           HN       GLN  55   7.283   0.628  -6.426
  413    HA   GLN  55           HA       GLN  55   4.776   0.371  -7.801
  414   1HB   GLN  55           HB2      GLN  55   7.375   0.079  -8.422
  415   2HB   GLN  55           HB1      GLN  55   6.979  -1.618  -8.152
  416   1HG   GLN  55           HG2      GLN  55   6.101  -1.682 -10.222
  417   2HG   GLN  55           HG1      GLN  55   4.848  -0.568  -9.674
  418   1HE2  GLN  55          HE22      GLN  55   8.152   1.077 -11.511
  419   2HE2  GLN  55          HE21      GLN  55   8.345  -0.320 -10.566
  420    H    LYS  56           HN       LYS  56   6.621  -1.866  -5.715
  421    HA   LYS  56           HA       LYS  56   4.770  -4.052  -5.898
  422   1HB   LYS  56           HB2      LYS  56   6.842  -3.231  -3.848
  423   2HB   LYS  56           HB1      LYS  56   6.054  -4.809  -3.872
  424   1HG   LYS  56           HG2      LYS  56   6.845  -4.893  -6.359
  425   2HG   LYS  56           HG1      LYS  56   7.975  -3.630  -5.867
  426   1HD   LYS  56           HD2      LYS  56   9.324  -5.233  -5.050
  427   2HD   LYS  56           HD1      LYS  56   8.087  -5.593  -3.844
  428   1HE   LYS  56           HE2      LYS  56   6.977  -7.100  -5.549
  429   2HE   LYS  56           HE1      LYS  56   8.403  -6.867  -6.580
  430   1HZ   LYS  56           HZ3      LYS  56   8.485  -7.796  -3.758
  431   2HZ   LYS  56           HZ2      LYS  56   8.628  -8.811  -5.113
  432   3HZ   LYS  56           HZ1      LYS  56   9.812  -7.634  -4.803
  433    H    LEU  57           HN       LEU  57   4.731  -1.094  -3.982
  434    HA   LEU  57           HA       LEU  57   2.924  -2.128  -1.933
  435   1HB   LEU  57           HB2      LEU  57   3.373   0.725  -2.863
  436   2HB   LEU  57           HB1      LEU  57   2.813   0.202  -1.276
  437    HG   LEU  57           HG       LEU  57   5.520  -0.569  -2.398
  438   1HD1  LEU  57          HD13      LEU  57   4.840   1.982  -1.899
  439   2HD1  LEU  57          HD12      LEU  57   5.258   1.477  -0.262
  440   3HD1  LEU  57          HD11      LEU  57   6.446   1.343  -1.559
  441   1HD2  LEU  57          HD21      LEU  57   4.269  -1.804  -0.433
  442   2HD2  LEU  57          HD23      LEU  57   5.978  -1.402  -0.270
  443   3HD2  LEU  57          HD22      LEU  57   4.758  -0.389   0.499
  444    H    THR  58           HN       THR  58   2.462   0.169  -4.634
  445    HA   THR  58           HA       THR  58  -0.401   0.110  -4.605
  446    HB   THR  58           HB       THR  58   1.234   0.520  -7.093
  447    HG1  THR  58           HG1      THR  58   2.365   2.042  -6.217
  448   1HG2  THR  58          HG22      THR  58  -1.121   1.873  -5.769
  449   2HG2  THR  58          HG21      THR  58  -0.281   2.575  -7.153
  450   3HG2  THR  58          HG23      THR  58  -1.089   1.015  -7.309
  451    H    LYS  59           HN       LYS  59   2.045  -2.052  -5.788
  452    HA   LYS  59           HA       LYS  59   0.311  -3.480  -7.667
  453   1HB   LYS  59           HB2      LYS  59   2.720  -3.371  -8.016
  454   2HB   LYS  59           HB1      LYS  59   3.014  -4.029  -6.407
  455   1HG   LYS  59           HG2      LYS  59   2.311  -6.175  -7.004
  456   2HG   LYS  59           HG1      LYS  59   1.347  -5.587  -8.359
  457   1HD   LYS  59           HD2      LYS  59   4.235  -4.992  -8.552
  458   2HD   LYS  59           HD1      LYS  59   3.828  -6.707  -8.620
  459   1HE   LYS  59           HE2      LYS  59   2.110  -6.148 -10.395
  460   2HE   LYS  59           HE1      LYS  59   2.777  -4.503 -10.425
  461   1HZ   LYS  59           HZ2      LYS  59   5.011  -5.926 -10.494
  462   2HZ   LYS  59           HZ1      LYS  59   3.981  -7.007 -11.304
  463   3HZ   LYS  59           HZ3      LYS  59   4.196  -5.433 -11.902
  464    H    ALA  60           HN       ALA  60   1.224  -3.648  -4.269
  465    HA   ALA  60           HA       ALA  60   0.315  -6.349  -3.787
  466   1HB   ALA  60           HB1      ALA  60   1.728  -4.507  -2.417
  467   2HB   ALA  60           HB3      ALA  60   0.147  -4.231  -1.686
  468   3HB   ALA  60           HB2      ALA  60   0.890  -5.828  -1.603
  469    H    THR  61           HN       THR  61  -1.253  -3.147  -3.516
  470    HA   THR  61           HA       THR  61  -3.818  -4.284  -2.658
  471    HB   THR  61           HB       THR  61  -3.009  -1.970  -2.190
  472    HG1  THR  61           HG1      THR  61  -5.217  -1.564  -3.815
  473   1HG2  THR  61          HG23      THR  61  -1.869  -1.586  -4.339
  474   2HG2  THR  61          HG22      THR  61  -3.427  -1.587  -5.165
  475   3HG2  THR  61          HG21      THR  61  -3.041  -0.309  -4.012
  476    H    ALA  62           HN       ALA  62  -2.283  -3.229  -5.659
  477    HA   ALA  62           HA       ALA  62  -4.498  -3.511  -7.420
  478   1HB   ALA  62           HB2      ALA  62  -1.501  -3.846  -7.684
  479   2HB   ALA  62           HB1      ALA  62  -2.574  -3.968  -9.077
  480   3HB   ALA  62           HB3      ALA  62  -2.477  -2.459  -8.168
  481    H    ASP  63           HN       ASP  63  -2.377  -5.816  -5.840
  482    HA   ASP  63           HA       ASP  63  -3.322  -8.088  -7.469
  483   1HB   ASP  63           HB2      ASP  63  -1.092  -7.431  -5.863
  484   2HB   ASP  63           HB1      ASP  63  -1.915  -8.741  -5.016
  485    H    ALA  64           HN       ALA  64  -4.105  -6.450  -4.484
  486    HA   ALA  64           HA       ALA  64  -5.586  -8.640  -3.268
  487   1HB   ALA  64           HB1      ALA  64  -4.653  -6.075  -2.604
  488   2HB   ALA  64           HB3      ALA  64  -6.410  -5.930  -2.566
  489   3HB   ALA  64           HB2      ALA  64  -5.603  -7.136  -1.563
  490    H    GLY  65           HN       GLY  65  -6.093  -6.470  -5.861
  491   1HA   GLY  65           HA2      GLY  65  -7.992  -6.883  -7.370
  492   2HA   GLY  65           HA1      GLY  65  -8.964  -7.244  -5.945
  493    H    TYR  66           HN       TYR  66  -6.700  -4.591  -6.034
  494    HA   TYR  66           HA       TYR  66  -8.978  -2.661  -6.254
  495   1HB   TYR  66           HB2      TYR  66  -6.742  -2.711  -4.197
  496   2HB   TYR  66           HB1      TYR  66  -8.039  -1.516  -4.279
  497    HD1  TYR  66           HD1      TYR  66 -10.367  -3.126  -4.957
  498    HD2  TYR  66           HD2      TYR  66  -7.159  -3.997  -2.226
  499    HE1  TYR  66           HE1      TYR  66 -11.865  -4.625  -3.674
  500    HE2  TYR  66           HE2      TYR  66  -8.660  -5.494  -0.955
  501    HH   TYR  66           HH       TYR  66 -11.319  -6.796  -2.030
  502    HA   PRO  67           HA       PRO  67  -5.682  -1.418  -9.205
  503   1HB   PRO  67           HB2      PRO  67  -7.692   0.346 -10.291
  504   2HB   PRO  67           HB1      PRO  67  -7.002  -1.104 -11.027
  505   1HG   PRO  67           HG2      PRO  67  -9.633  -0.771  -9.930
  506   2HG   PRO  67           HG1      PRO  67  -8.937  -2.218 -10.666
  507   1HD   PRO  67           HD2      PRO  67  -9.536  -1.781  -7.887
  508   2HD   PRO  67           HD1      PRO  67  -8.768  -3.212  -8.618
  509    H    SER  68           HN       SER  68  -4.544  -0.242  -7.541
  510    HA   SER  68           HA       SER  68  -5.635   2.466  -6.890
  511   1HB   SER  68           HB2      SER  68  -3.288   1.348  -5.468
  512   2HB   SER  68           HB1      SER  68  -4.716   2.150  -4.818
  513    HG   SER  68           HG       SER  68  -5.781   0.284  -4.817
  514    H    SER  69           HN       SER  69  -3.401   3.798  -6.161
  515    HA   SER  69           HA       SER  69  -1.407   3.637  -8.356
  516   1HB   SER  69           HB2      SER  69  -3.590   5.575  -8.036
  517   2HB   SER  69           HB1      SER  69  -2.012   6.347  -8.159
  518    HG   SER  69           HG       SER  69  -1.975   5.825 -10.187
  519    H    VAL  70           HN       VAL  70   0.167   5.746  -7.783
  520    HA   VAL  70           HA       VAL  70   0.463   5.795  -4.821
  521    HB   VAL  70           HB       VAL  70   1.722   3.998  -6.098
  522   1HG1  VAL  70          HG13      VAL  70   2.349   5.959  -7.832
  523   2HG1  VAL  70          HG12      VAL  70   3.757   6.067  -6.775
  524   3HG1  VAL  70          HG11      VAL  70   3.384   4.551  -7.593
  525   1HG2  VAL  70          HG21      VAL  70   2.412   5.583  -3.890
  526   2HG2  VAL  70          HG23      VAL  70   3.114   4.022  -4.309
  527   3HG2  VAL  70          HG22      VAL  70   3.882   5.512  -4.856
  528    H    LYS  71           HN       LYS  71   1.553   7.573  -3.972
  529    HA   LYS  71           HA       LYS  71   2.336   9.719  -5.901
  530   1HB   LYS  71           HB2      LYS  71   0.161  10.321  -5.182
  531   2HB   LYS  71           HB1      LYS  71   0.458   9.748  -3.539
  532   1HG   LYS  71           HG2      LYS  71   2.430  11.712  -4.172
  533   2HG   LYS  71           HG1      LYS  71   0.845  12.363  -4.576
  534   1HD   LYS  71           HD2      LYS  71   0.016  11.789  -2.333
  535   2HD   LYS  71           HD1      LYS  71   1.586  11.099  -1.925
  536   1HE   LYS  71           HE2      LYS  71   1.499  13.363  -1.021
  537   2HE   LYS  71           HE1      LYS  71   2.609  13.376  -2.405
  538   1HZ   LYS  71           HZ3      LYS  71  -0.180  13.730  -3.082
  539   2HZ   LYS  71           HZ2      LYS  71   0.481  15.001  -2.169
  540   3HZ   LYS  71           HZ1      LYS  71   1.186  14.559  -3.651
  541    H    GLN  72           HN       GLN  72   4.502   8.784  -5.285
  542    HA   GLN  72           HA       GLN  72   5.397   9.392  -2.515
  543   1HB   GLN  72           HB2      GLN  72   7.328   8.040  -3.157
  544   2HB   GLN  72           HB1      GLN  72   5.855   7.202  -3.647
  545   1HG   GLN  72           HG2      GLN  72   6.287   7.463  -5.875
  546   2HG   GLN  72           HG1      GLN  72   6.995   9.063  -5.655
  547   1HE2  GLN  72          HE22      GLN  72  10.094   7.446  -6.311
  548   2HE2  GLN  72          HE21      GLN  72   8.917   8.505  -6.920
   
  No H/Q in entry =         548
  Start of MODEL   13
    1   1H    ALA   1           HT1      ALA   1  18.194   2.500   2.914
    2   2H    ALA   1           HT3      ALA   1  18.744   2.893   1.359
    3   3H    ALA   1           HT2      ALA   1  17.393   3.694   2.009
    4    HA   ALA   1           HA       ALA   1  16.634   2.059   0.418
    5   1HB   ALA   1           HB1      ALA   1  18.483   0.379   2.116
    6   2HB   ALA   1           HB3      ALA   1  17.251  -0.365   1.097
    7   3HB   ALA   1           HB2      ALA   1  18.521   0.618   0.369
    8    H    THR   2           HN       THR   2  15.440   3.387   2.505
    9    HA   THR   2           HA       THR   2  13.552   1.402   3.550
   10    HB   THR   2           HB       THR   2  14.035   3.086   5.691
   11    HG1  THR   2           HG1      THR   2  16.169   3.359   5.862
   12   1HG2  THR   2          HG23      THR   2  14.041   0.375   5.148
   13   2HG2  THR   2          HG22      THR   2  15.676   0.669   5.740
   14   3HG2  THR   2          HG21      THR   2  14.286   1.099   6.737
   15    H    GLN   3           HN       GLN   3  12.137   2.521   2.048
   16    HA   GLN   3           HA       GLN   3  11.526   5.358   2.812
   17   1HB   GLN   3           HB2      GLN   3  10.967   4.091   0.133
   18   2HB   GLN   3           HB1      GLN   3  11.173   5.799   0.518
   19   1HG   GLN   3           HG2      GLN   3  13.373   3.720   0.711
   20   2HG   GLN   3           HG1      GLN   3  13.155   4.823  -0.649
   21   1HE2  GLN   3          HE22      GLN   3  15.590   6.479   1.590
   22   2HE2  GLN   3          HE21      GLN   3  15.557   5.106   0.591
   23    H    THR   4           HN       THR   4   9.320   6.011   2.692
   24    HA   THR   4           HA       THR   4   7.293   3.824   2.553
   25    HB   THR   4           HB       THR   4   7.879   4.232   4.900
   26    HG1  THR   4           HG1      THR   4   5.482   5.636   4.415
   27   1HG2  THR   4          HG21      THR   4   8.810   6.477   4.531
   28   2HG2  THR   4          HG23      THR   4   7.171   7.100   4.341
   29   3HG2  THR   4          HG22      THR   4   7.683   6.422   5.887
   30    H    VAL   5           HN       VAL   5   5.321   4.531   1.642
   31    HA   VAL   5           HA       VAL   5   5.110   7.443   0.920
   32    HB   VAL   5           HB       VAL   5   4.408   6.631  -1.340
   33   1HG1  VAL   5          HG13      VAL   5   6.865   7.144  -0.520
   34   2HG1  VAL   5          HG12      VAL   5   7.089   5.411  -0.757
   35   3HG1  VAL   5          HG11      VAL   5   6.600   6.430  -2.111
   36   1HG2  VAL   5          HG23      VAL   5   3.695   4.365  -0.557
   37   2HG2  VAL   5          HG22      VAL   5   4.808   4.290  -1.924
   38   3HG2  VAL   5          HG21      VAL   5   5.390   3.956  -0.293
   39    H    THR   6           HN       THR   6   2.812   7.802   0.014
   40    HA   THR   6           HA       THR   6   0.911   6.243   1.712
   41    HB   THR   6           HB       THR   6   1.223   8.771   2.023
   42    HG1  THR   6           HG1      THR   6  -0.998   9.092   2.180
   43   1HG2  THR   6          HG22      THR   6   1.352   8.991  -0.592
   44   2HG2  THR   6          HG21      THR   6  -0.406   9.074  -0.474
   45   3HG2  THR   6          HG23      THR   6   0.589  10.267   0.356
   46    H    LEU   7           HN       LEU   7  -1.076   5.569   0.582
   47    HA   LEU   7           HA       LEU   7  -0.753   5.622  -2.394
   48   1HB   LEU   7           HB2      LEU   7  -0.587   3.456  -0.513
   49   2HB   LEU   7           HB1      LEU   7  -1.994   3.194  -1.537
   50    HG   LEU   7           HG       LEU   7  -0.628   3.402  -3.526
   51   1HD1  LEU   7          HD12      LEU   7   1.649   3.929  -1.617
   52   2HD1  LEU   7          HD11      LEU   7   1.823   3.680  -3.355
   53   3HD1  LEU   7          HD13      LEU   7   0.947   5.076  -2.747
   54   1HD2  LEU   7          HD23      LEU   7   0.635   1.596  -1.441
   55   2HD2  LEU   7          HD22      LEU   7  -0.662   1.159  -2.554
   56   3HD2  LEU   7          HD21      LEU   7   0.959   1.480  -3.171
   57    H    ALA   8           HN       ALA   8  -2.646   5.579  -3.591
   58    HA   ALA   8           HA       ALA   8  -5.187   6.115  -2.080
   59   1HB   ALA   8           HB3      ALA   8  -3.707   7.636  -3.976
   60   2HB   ALA   8           HB2      ALA   8  -5.172   7.094  -4.794
   61   3HB   ALA   8           HB1      ALA   8  -5.289   8.023  -3.299
   62    H    VAL   9           HN       VAL   9  -6.510   4.328  -2.308
   63    HA   VAL   9           HA       VAL   9  -6.281   2.755  -4.856
   64    HB   VAL   9           HB       VAL   9  -7.702   1.676  -2.472
   65   1HG1  VAL   9          HG13      VAL   9  -7.152   0.483  -4.661
   66   2HG1  VAL   9          HG12      VAL   9  -5.469   0.502  -4.133
   67   3HG1  VAL   9          HG11      VAL   9  -6.682  -0.355  -3.182
   68   1HG2  VAL   9          HG21      VAL   9  -4.693   2.112  -2.522
   69   2HG2  VAL   9          HG23      VAL   9  -5.826   2.846  -1.387
   70   3HG2  VAL   9          HG22      VAL   9  -5.551   1.104  -1.356
   71    HA   PRO  10           HA       PRO  10 -10.441   4.898  -5.004
   72   1HB   PRO  10           HB2      PRO  10 -10.125   5.024  -7.836
   73   2HB   PRO  10           HB1      PRO  10 -10.028   6.359  -6.682
   74   1HG   PRO  10           HG2      PRO  10  -7.879   5.079  -8.148
   75   2HG   PRO  10           HG1      PRO  10  -7.814   6.521  -7.131
   76   1HD   PRO  10           HD2      PRO  10  -6.755   3.937  -6.523
   77   2HD   PRO  10           HD1      PRO  10  -6.841   5.347  -5.442
   78    H    GLY  11           HN       GLY  11  -8.981   2.074  -6.429
   79   1HA   GLY  11           HA2      GLY  11 -11.110   1.067  -7.992
   80   2HA   GLY  11           HA1      GLY  11  -9.958   0.052  -7.118
   81    H    MET  12           HN       MET  12 -10.812   1.509  -4.581
   82    HA   MET  12           HA       MET  12 -13.542   0.380  -4.208
   83   1HB   MET  12           HB2      MET  12 -11.561  -0.202  -2.076
   84   2HB   MET  12           HB1      MET  12 -12.874  -1.202  -2.685
   85   1HG   MET  12           HG2      MET  12 -10.959  -2.343  -3.392
   86   2HG   MET  12           HG1      MET  12 -11.406  -1.430  -4.822
   87   1HE   MET  12           HE1      MET  12  -9.256  -1.801  -1.748
   88   2HE   MET  12           HE3      MET  12  -8.106  -0.458  -1.788
   89   3HE   MET  12           HE2      MET  12  -9.805  -0.157  -1.432
   90    H    THR  13           HN       THR  13 -13.977   0.831  -1.603
   91    HA   THR  13           HA       THR  13 -12.741   3.108  -0.402
   92    HB   THR  13           HB       THR  13 -13.501   4.372  -2.273
   93    HG1  THR  13           HG1      THR  13 -15.281   5.586  -1.313
   94   1HG2  THR  13          HG22      THR  13 -15.868   2.575  -2.043
   95   2HG2  THR  13          HG21      THR  13 -16.142   4.199  -2.673
   96   3HG2  THR  13          HG23      THR  13 -15.005   3.121  -3.481
   97    H    CYS  14           HN       CYS  14 -13.300   1.301   1.247
   98    HA   CYS  14           HA       CYS  14 -15.496   2.149   2.878
   99   1HB   CYS  14           HB2      CYS  14 -17.253   0.973   2.048
  100   2HB   CYS  14           HB1      CYS  14 -16.265   0.726   0.616
  101    H    ALA  15           HN       ALA  15 -16.030   0.157   4.507
  102    HA   ALA  15           HA       ALA  15 -13.436  -0.612   5.624
  103   1HB   ALA  15           HB3      ALA  15 -16.325  -0.675   6.341
  104   2HB   ALA  15           HB2      ALA  15 -15.299  -1.867   7.139
  105   3HB   ALA  15           HB1      ALA  15 -14.944  -0.147   7.303
  106    H    ALA  16           HN       ALA  16 -12.873  -1.954   3.605
  107    HA   ALA  16           HA       ALA  16 -13.179  -4.747   4.154
  108   1HB   ALA  16           HB3      ALA  16 -15.469  -3.635   3.186
  109   2HB   ALA  16           HB2      ALA  16 -14.695  -4.140   1.684
  110   3HB   ALA  16           HB1      ALA  16 -15.030  -5.327   2.945
  111    H    CYS  17           HN       CYS  17 -12.879  -2.445   1.403
  112    HA   CYS  17           HA       CYS  17 -10.906  -4.278   0.154
  113   1HB   CYS  17           HB2      CYS  17 -11.932  -1.664  -0.936
  114   2HB   CYS  17           HB1      CYS  17 -11.326  -3.058  -1.817
  115    HA   PRO  18           HA       PRO  18  -8.345  -0.165   0.451
  116   1HB   PRO  18           HB2      PRO  18  -9.177   1.084   2.916
  117   2HB   PRO  18           HB1      PRO  18  -9.191   1.769   1.291
  118   1HG   PRO  18           HG2      PRO  18 -11.443   0.979   2.842
  119   2HG   PRO  18           HG1      PRO  18 -11.440   1.557   1.174
  120   1HD   PRO  18           HD2      PRO  18 -11.929  -1.135   2.137
  121   2HD   PRO  18           HD1      PRO  18 -12.016  -0.536   0.463
  122    H    ILE  19           HN       ILE  19  -9.675  -1.684   3.349
  123    HA   ILE  19           HA       ILE  19  -7.241  -1.861   4.886
  124    HB   ILE  19           HB       ILE  19  -9.903  -2.395   5.192
  125   1HG1  ILE  19          HG12      ILE  19  -7.664  -3.542   6.883
  126   2HG1  ILE  19          HG11      ILE  19  -8.270  -1.889   6.982
  127   1HG2  ILE  19          HG22      ILE  19  -9.651  -4.558   3.955
  128   2HG2  ILE  19          HG21      ILE  19  -8.561  -5.109   5.228
  129   3HG2  ILE  19          HG23      ILE  19 -10.250  -4.757   5.601
  130   1HD1  ILE  19          HD12      ILE  19 -10.448  -3.805   7.140
  131   2HD1  ILE  19          HD11      ILE  19  -9.243  -4.113   8.390
  132   3HD1  ILE  19          HD13      ILE  19 -10.006  -2.528   8.272
  133    H    THR  20           HN       THR  20  -8.700  -3.853   2.370
  134    HA   THR  20           HA       THR  20  -6.990  -6.143   2.528
  135    HB   THR  20           HB       THR  20  -8.199  -4.939   0.017
  136    HG1  THR  20           HG1      THR  20  -9.405  -6.073   2.281
  137   1HG2  THR  20          HG22      THR  20  -6.798  -7.032  -0.094
  138   2HG2  THR  20          HG21      THR  20  -7.978  -7.810   0.963
  139   3HG2  THR  20          HG23      THR  20  -8.462  -7.252  -0.638
  140    H    VAL  21           HN       VAL  21  -6.559  -2.916   1.407
  141    HA   VAL  21           HA       VAL  21  -4.350  -3.428  -0.386
  142    HB   VAL  21           HB       VAL  21  -5.112  -0.908   1.124
  143   1HG1  VAL  21          HG13      VAL  21  -3.180  -1.579  -0.978
  144   2HG1  VAL  21          HG12      VAL  21  -4.242  -0.241  -1.419
  145   3HG1  VAL  21          HG11      VAL  21  -3.270  -0.149   0.050
  146   1HG2  VAL  21          HG22      VAL  21  -7.032  -1.960  -0.119
  147   2HG2  VAL  21          HG21      VAL  21  -6.572  -0.377  -0.744
  148   3HG2  VAL  21          HG23      VAL  21  -6.080  -1.839  -1.596
  149    H    LYS  22           HN       LYS  22  -4.789  -2.761   3.028
  150    HA   LYS  22           HA       LYS  22  -2.060  -2.223   3.712
  151   1HB   LYS  22           HB2      LYS  22  -4.238  -1.891   5.050
  152   2HB   LYS  22           HB1      LYS  22  -4.152  -3.613   5.407
  153   1HG   LYS  22           HG2      LYS  22  -1.812  -3.220   6.286
  154   2HG   LYS  22           HG1      LYS  22  -2.118  -1.491   6.129
  155   1HD   LYS  22           HD2      LYS  22  -3.901  -1.563   7.720
  156   2HD   LYS  22           HD1      LYS  22  -3.942  -3.327   7.695
  157   1HE   LYS  22           HE2      LYS  22  -1.302  -2.214   8.401
  158   2HE   LYS  22           HE1      LYS  22  -2.584  -1.854   9.574
  159   1HZ   LYS  22           HZ3      LYS  22  -2.306  -4.550   8.401
  160   2HZ   LYS  22           HZ2      LYS  22  -1.396  -4.101   9.765
  161   3HZ   LYS  22           HZ1      LYS  22  -3.094  -4.093   9.831
  162    H    LYS  23           HN       LYS  23  -4.024  -5.128   3.350
  163    HA   LYS  23           HA       LYS  23  -2.089  -6.976   4.367
  164   1HB   LYS  23           HB2      LYS  23  -4.535  -7.382   4.026
  165   2HB   LYS  23           HB1      LYS  23  -4.252  -7.367   2.284
  166   1HG   LYS  23           HG2      LYS  23  -2.512  -9.172   3.874
  167   2HG   LYS  23           HG1      LYS  23  -4.209  -9.636   3.756
  168   1HD   LYS  23           HD2      LYS  23  -3.001  -8.741   1.214
  169   2HD   LYS  23           HD1      LYS  23  -2.323 -10.234   1.866
  170   1HE   LYS  23           HE2      LYS  23  -4.117 -11.210   0.813
  171   2HE   LYS  23           HE1      LYS  23  -5.016 -10.655   2.239
  172   1HZ   LYS  23           HZ2      LYS  23  -4.555  -9.027  -0.204
  173   2HZ   LYS  23           HZ1      LYS  23  -5.996  -9.860   0.133
  174   3HZ   LYS  23           HZ3      LYS  23  -5.497  -8.589   1.140
  175    H    ALA  24           HN       ALA  24  -2.733  -5.637   1.208
  176    HA   ALA  24           HA       ALA  24  -1.051  -7.217  -0.402
  177   1HB   ALA  24           HB1      ALA  24  -2.768  -5.217  -0.807
  178   2HB   ALA  24           HB3      ALA  24  -1.278  -4.274  -0.858
  179   3HB   ALA  24           HB2      ALA  24  -1.521  -5.602  -1.993
  180    H    LEU  25           HN       LEU  25  -0.270  -3.990   0.956
  181    HA   LEU  25           HA       LEU  25   2.537  -4.128   0.339
  182   1HB   LEU  25           HB2      LEU  25   1.303  -2.592   2.631
  183   2HB   LEU  25           HB1      LEU  25   2.645  -2.111   1.595
  184    HG   LEU  25           HG       LEU  25   0.404  -2.579  -0.096
  185   1HD1  LEU  25          HD12      LEU  25  -0.736  -2.212   2.237
  186   2HD1  LEU  25          HD11      LEU  25  -0.286  -0.525   1.991
  187   3HD1  LEU  25          HD13      LEU  25  -1.347  -1.333   0.836
  188   1HD2  LEU  25          HD23      LEU  25   2.457  -0.723   0.270
  189   2HD2  LEU  25          HD22      LEU  25   1.221  -0.664  -0.988
  190   3HD2  LEU  25          HD21      LEU  25   0.987   0.217   0.522
  191    H    SER  26           HN       SER  26   0.600  -5.304   2.997
  192    HA   SER  26           HA       SER  26   2.643  -5.663   4.962
  193   1HB   SER  26           HB2      SER  26   0.327  -5.797   5.571
  194   2HB   SER  26           HB1      SER  26   0.000  -6.999   4.327
  195    HG   SER  26           HG       SER  26   0.424  -7.588   6.721
  196    H    LYS  27           HN       LYS  27   1.730  -7.405   2.076
  197    HA   LYS  27           HA       LYS  27   3.863  -9.380   2.709
  198   1HB   LYS  27           HB2      LYS  27   2.352 -11.046   2.440
  199   2HB   LYS  27           HB1      LYS  27   1.117  -9.795   2.469
  200   1HG   LYS  27           HG2      LYS  27   2.515 -10.780  -0.038
  201   2HG   LYS  27           HG1      LYS  27   0.916 -11.294   0.490
  202   1HD   LYS  27           HD2      LYS  27   0.669  -8.564   0.585
  203   2HD   LYS  27           HD1      LYS  27   1.744  -8.777  -0.797
  204   1HE   LYS  27           HE2      LYS  27  -0.707 -10.512  -0.554
  205   2HE   LYS  27           HE1      LYS  27  -0.848  -8.870  -1.206
  206   1HZ   LYS  27           HZ3      LYS  27   1.444 -10.009  -2.309
  207   2HZ   LYS  27           HZ2      LYS  27   0.205 -11.161  -2.466
  208   3HZ   LYS  27           HZ1      LYS  27   0.004  -9.601  -3.107
  209    H    VAL  28           HN       VAL  28   3.299  -6.797   0.817
  210    HA   VAL  28           HA       VAL  28   3.664  -7.513  -1.866
  211    HB   VAL  28           HB       VAL  28   3.329  -5.221  -1.097
  212   1HG1  VAL  28          HG12      VAL  28   4.888  -5.667   0.952
  213   2HG1  VAL  28          HG11      VAL  28   6.173  -5.122  -0.125
  214   3HG1  VAL  28          HG13      VAL  28   4.831  -4.046   0.260
  215   1HG2  VAL  28          HG21      VAL  28   5.557  -6.002  -2.842
  216   2HG2  VAL  28          HG23      VAL  28   4.293  -4.801  -3.108
  217   3HG2  VAL  28          HG22      VAL  28   5.733  -4.375  -2.184
  218    H    GLU  29           HN       GLU  29   6.267  -7.018   0.570
  219    HA   GLU  29           HA       GLU  29   7.892  -9.172  -0.151
  220   1HB   GLU  29           HB2      GLU  29   7.815  -6.999  -2.104
  221   2HB   GLU  29           HB1      GLU  29   9.458  -7.373  -1.579
  222   1HG   GLU  29           HG2      GLU  29   7.947  -9.803  -1.985
  223   2HG   GLU  29           HG1      GLU  29   7.916  -8.806  -3.439
  224    H    GLY  30           HN       GLY  30   9.316  -5.963  -0.375
  225   1HA   GLY  30           HA2      GLY  30  10.894  -6.497   2.037
  226   2HA   GLY  30           HA1      GLY  30  11.074  -5.111   0.966
  227    H    VAL  31           HN       VAL  31   7.831  -5.322   1.691
  228    HA   VAL  31           HA       VAL  31   7.572  -2.922   3.068
  229    HB   VAL  31           HB       VAL  31   5.795  -4.548   2.203
  230   1HG1  VAL  31          HG11      VAL  31   6.803  -6.380   3.803
  231   2HG1  VAL  31          HG13      VAL  31   5.752  -5.626   5.003
  232   3HG1  VAL  31          HG12      VAL  31   5.061  -6.317   3.535
  233   1HG2  VAL  31          HG22      VAL  31   5.696  -2.491   4.057
  234   2HG2  VAL  31          HG21      VAL  31   4.299  -3.218   3.264
  235   3HG2  VAL  31          HG23      VAL  31   4.806  -3.789   4.853
  236    H    SER  32           HN       SER  32   8.102  -2.195   5.008
  237    HA   SER  32           HA       SER  32   9.043  -4.134   7.077
  238   1HB   SER  32           HB2      SER  32  10.110  -1.754   5.903
  239   2HB   SER  32           HB1      SER  32   9.778  -1.415   7.599
  240    HG   SER  32           HG       SER  32  11.643  -2.397   7.821
  241    H    LYS  33           HN       LYS  33   6.666  -1.837   6.226
  242    HA   LYS  33           HA       LYS  33   5.249  -2.240   8.761
  243   1HB   LYS  33           HB2      LYS  33   6.538  -0.581   9.712
  244   2HB   LYS  33           HB1      LYS  33   6.890   0.175   8.166
  245   1HG   LYS  33           HG2      LYS  33   4.685   1.180   8.085
  246   2HG   LYS  33           HG1      LYS  33   4.185   0.288   9.522
  247   1HD   LYS  33           HD2      LYS  33   6.633   1.795   9.998
  248   2HD   LYS  33           HD1      LYS  33   5.311   2.844   9.481
  249   1HE   LYS  33           HE2      LYS  33   4.463   0.816  11.434
  250   2HE   LYS  33           HE1      LYS  33   5.671   1.949  12.070
  251   1HZ   LYS  33           HZ2      LYS  33   4.256   3.692  10.820
  252   2HZ   LYS  33           HZ1      LYS  33   3.025   2.525  10.910
  253   3HZ   LYS  33           HZ3      LYS  33   3.720   3.132  12.332
  254    H    VAL  34           HN       VAL  34   3.077  -1.221   8.676
  255    HA   VAL  34           HA       VAL  34   2.261  -0.060   6.073
  256    HB   VAL  34           HB       VAL  34   0.986  -2.564   7.212
  257   1HG1  VAL  34          HG12      VAL  34  -0.282  -0.945   5.656
  258   2HG1  VAL  34          HG11      VAL  34   0.838  -1.472   4.399
  259   3HG1  VAL  34          HG13      VAL  34  -0.230  -2.642   5.176
  260   1HG2  VAL  34          HG21      VAL  34   3.117  -2.224   5.083
  261   2HG2  VAL  34          HG23      VAL  34   3.224  -3.181   6.561
  262   3HG2  VAL  34          HG22      VAL  34   2.152  -3.689   5.256
  263    H    ASP  35           HN       ASP  35   0.231   1.015   6.209
  264    HA   ASP  35           HA       ASP  35  -1.466   0.921   8.562
  265   1HB   ASP  35           HB2      ASP  35   0.726   2.152   9.222
  266   2HB   ASP  35           HB1      ASP  35   0.154   3.451   8.173
  267    H    VAL  36           HN       VAL  36  -3.133   0.814   6.976
  268    HA   VAL  36           HA       VAL  36  -3.266   3.065   5.021
  269    HB   VAL  36           HB       VAL  36  -4.551   1.540   3.697
  270   1HG1  VAL  36          HG13      VAL  36  -2.354   0.096   5.202
  271   2HG1  VAL  36          HG12      VAL  36  -3.126  -0.551   3.757
  272   3HG1  VAL  36          HG11      VAL  36  -2.210   0.953   3.670
  273   1HG2  VAL  36          HG23      VAL  36  -6.013   0.777   5.586
  274   2HG2  VAL  36          HG22      VAL  36  -5.454  -0.550   4.571
  275   3HG2  VAL  36          HG21      VAL  36  -4.698  -0.258   6.137
  276    H    GLY  37           HN       GLY  37  -6.025   2.631   4.447
  277   1HA   GLY  37           HA2      GLY  37  -7.469   3.351   6.927
  278   2HA   GLY  37           HA1      GLY  37  -7.475   4.522   5.604
  279    H    PHE  38           HN       PHE  38  -8.990   1.816   6.880
  280    HA   PHE  38           HA       PHE  38 -10.111   0.702   4.414
  281   1HB   PHE  38           HB2      PHE  38 -11.217  -0.816   5.985
  282   2HB   PHE  38           HB1      PHE  38  -9.530  -0.623   6.448
  283    HD1  PHE  38           HD2      PHE  38  -8.918   0.797   8.412
  284    HD2  PHE  38           HD1      PHE  38 -13.012  -0.012   7.390
  285    HE1  PHE  38           HE2      PHE  38  -9.630   1.551  10.664
  286    HE2  PHE  38           HE1      PHE  38 -13.721   0.734   9.645
  287    HZ   PHE  38           HZ       PHE  38 -12.032   1.521  11.281
  288    H    GLU  39           HN       GLU  39 -10.793   3.242   4.194
  289    HA   GLU  39           HA       GLU  39 -13.664   3.285   4.169
  290   1HB   GLU  39           HB2      GLU  39 -13.206   3.435   6.634
  291   2HB   GLU  39           HB1      GLU  39 -12.324   4.934   6.341
  292   1HG   GLU  39           HG2      GLU  39 -14.927   5.004   5.059
  293   2HG   GLU  39           HG1      GLU  39 -15.084   4.676   6.785
  294    H    LYS  40           HN       LYS  40 -11.075   5.660   4.880
  295    HA   LYS  40           HA       LYS  40 -12.084   7.516   2.851
  296   1HB   LYS  40           HB2      LYS  40 -10.725   7.781   5.163
  297   2HB   LYS  40           HB1      LYS  40  -9.358   7.739   4.048
  298   1HG   LYS  40           HG2      LYS  40  -9.780   9.839   3.350
  299   2HG   LYS  40           HG1      LYS  40 -11.461   9.433   3.003
  300   1HD   LYS  40           HD2      LYS  40 -12.006   9.722   5.411
  301   2HD   LYS  40           HD1      LYS  40 -10.334  10.197   5.714
  302   1HE   LYS  40           HE2      LYS  40 -11.357  11.746   3.507
  303   2HE   LYS  40           HE1      LYS  40 -12.463  11.884   4.890
  304   1HZ   LYS  40           HZ3      LYS  40  -9.559  11.970   5.347
  305   2HZ   LYS  40           HZ2      LYS  40 -10.344  13.369   4.787
  306   3HZ   LYS  40           HZ1      LYS  40 -10.810  12.663   6.260
  307    H    ARG  41           HN       ARG  41 -10.496   4.649   2.605
  308    HA   ARG  41           HA       ARG  41  -9.260   3.628   0.885
  309   1HB   ARG  41           HB2      ARG  41 -10.998   4.780  -0.435
  310   2HB   ARG  41           HB1      ARG  41  -9.984   6.221  -0.497
  311   1HG   ARG  41           HG2      ARG  41  -8.473   3.897  -1.319
  312   2HG   ARG  41           HG1      ARG  41  -9.940   4.051  -2.285
  313   1HD   ARG  41           HD2      ARG  41  -7.835   6.207  -1.870
  314   2HD   ARG  41           HD1      ARG  41  -8.177   5.342  -3.374
  315    HE   ARG  41           HE       ARG  41 -10.640   6.395  -2.568
  316   1HH1  ARG  41          HH21      ARG  41  -7.475   7.580  -3.286
  317   2HH1  ARG  41          HH22      ARG  41  -8.039   9.115  -3.855
  318   1HH2  ARG  41          HH11      ARG  41 -11.385   8.394  -3.315
  319   2HH2  ARG  41          HH12      ARG  41 -10.248   9.575  -3.873
  320    H    GLU  42           HN       GLU  42  -7.261   3.909   2.188
  321    HA   GLU  42           HA       GLU  42  -5.271   5.424   0.647
  322   1HB   GLU  42           HB2      GLU  42  -6.168   7.289   1.803
  323   2HB   GLU  42           HB1      GLU  42  -6.307   6.391   3.314
  324   1HG   GLU  42           HG2      GLU  42  -3.888   6.313   3.549
  325   2HG   GLU  42           HG1      GLU  42  -3.677   7.067   1.968
  326    H    ALA  43           HN       ALA  43  -3.489   4.082   0.717
  327    HA   ALA  43           HA       ALA  43  -2.996   2.585   3.262
  328   1HB   ALA  43           HB2      ALA  43  -2.301   2.002   0.374
  329   2HB   ALA  43           HB1      ALA  43  -1.840   0.977   1.733
  330   3HB   ALA  43           HB3      ALA  43  -3.544   1.198   1.333
  331    H    VAL  44           HN       VAL  44  -1.290   3.410   4.405
  332    HA   VAL  44           HA       VAL  44   0.911   4.762   2.886
  333    HB   VAL  44           HB       VAL  44  -0.395   5.077   5.565
  334   1HG1  VAL  44          HG13      VAL  44   2.010   4.638   6.082
  335   2HG1  VAL  44          HG12      VAL  44   2.455   5.959   5.003
  336   3HG1  VAL  44          HG11      VAL  44   1.530   6.291   6.467
  337   1HG2  VAL  44          HG22      VAL  44  -0.593   6.502   3.338
  338   2HG2  VAL  44          HG21      VAL  44  -0.590   7.297   4.913
  339   3HG2  VAL  44          HG23      VAL  44   0.884   7.249   3.946
  340    H    VAL  45           HN       VAL  45   2.772   3.569   2.747
  341    HA   VAL  45           HA       VAL  45   3.220   1.479   4.859
  342    HB   VAL  45           HB       VAL  45   2.227   0.588   2.809
  343   1HG1  VAL  45          HG11      VAL  45   4.499   2.103   1.559
  344   2HG1  VAL  45          HG13      VAL  45   3.808   0.702   0.741
  345   3HG1  VAL  45          HG12      VAL  45   2.794   2.097   1.111
  346   1HG2  VAL  45          HG22      VAL  45   5.127  -0.043   3.355
  347   2HG2  VAL  45          HG21      VAL  45   3.700  -0.967   3.826
  348   3HG2  VAL  45          HG23      VAL  45   4.211  -0.933   2.139
  349    H    THR  46           HN       THR  46   5.329   0.950   5.326
  350    HA   THR  46           HA       THR  46   7.511   2.713   4.235
  351    HB   THR  46           HB       THR  46   6.898   1.429   6.904
  352    HG1  THR  46           HG1      THR  46   6.314   3.482   6.952
  353   1HG2  THR  46          HG22      THR  46   9.198   0.754   6.301
  354   2HG2  THR  46          HG21      THR  46   9.610   2.443   6.006
  355   3HG2  THR  46          HG23      THR  46   9.199   1.907   7.635
  356    H    PHE  47           HN       PHE  47   9.571   1.478   3.867
  357    HA   PHE  47           HA       PHE  47   9.570  -1.410   4.150
  358   1HB   PHE  47           HB2      PHE  47   9.335  -1.914   1.748
  359   2HB   PHE  47           HB1      PHE  47   7.902  -1.077   2.350
  360    HD1  PHE  47           HD2      PHE  47  11.130  -0.570   0.535
  361    HD2  PHE  47           HD1      PHE  47   7.265   1.042   1.511
  362    HE1  PHE  47           HE2      PHE  47  11.471   1.242  -1.110
  363    HE2  PHE  47           HE1      PHE  47   7.608   2.856  -0.146
  364    HZ   PHE  47           HZ       PHE  47   9.709   2.953  -1.456
  365    H    ASP  48           HN       ASP  48  11.335  -2.276   2.488
  366    HA   ASP  48           HA       ASP  48  13.664  -0.429   2.738
  367   1HB   ASP  48           HB2      ASP  48  13.190  -3.125   3.448
  368   2HB   ASP  48           HB1      ASP  48  14.257  -3.188   2.046
  369    H    ASP  49           HN       ASP  49  13.991   0.598   0.807
  370    HA   ASP  49           HA       ASP  49  12.820  -0.168  -1.651
  371   1HB   ASP  49           HB2      ASP  49  13.803   1.777  -2.383
  372   2HB   ASP  49           HB1      ASP  49  14.062   2.005  -0.657
  373    H    THR  50           HN       THR  50  15.451  -1.635  -0.065
  374    HA   THR  50           HA       THR  50  17.038  -2.422  -2.346
  375    HB   THR  50           HB       THR  50  17.810  -2.376   0.006
  376    HG1  THR  50           HG1      THR  50  19.114  -3.808  -0.767
  377   1HG2  THR  50          HG21      THR  50  15.644  -4.444   0.289
  378   2HG2  THR  50          HG23      THR  50  17.022  -4.436   1.389
  379   3HG2  THR  50          HG22      THR  50  15.961  -3.030   1.294
  380    H    LYS  51           HN       LYS  51  14.120  -3.734  -0.835
  381    HA   LYS  51           HA       LYS  51  14.187  -5.954  -2.852
  382   1HB   LYS  51           HB2      LYS  51  13.786  -5.873   0.061
  383   2HB   LYS  51           HB1      LYS  51  12.582  -6.836  -0.797
  384   1HG   LYS  51           HG2      LYS  51  14.625  -7.855  -2.050
  385   2HG   LYS  51           HG1      LYS  51  15.571  -7.199  -0.714
  386   1HD   LYS  51           HD2      LYS  51  14.908  -9.537  -0.271
  387   2HD   LYS  51           HD1      LYS  51  14.174  -8.436   0.895
  388   1HE   LYS  51           HE2      LYS  51  12.044  -8.537  -0.211
  389   2HE   LYS  51           HE1      LYS  51  12.746  -9.358  -1.620
  390   1HZ   LYS  51           HZ3      LYS  51  12.948 -10.464   1.121
  391   2HZ   LYS  51           HZ2      LYS  51  11.649 -10.841   0.092
  392   3HZ   LYS  51           HZ1      LYS  51  13.235 -11.257  -0.351
  393    H    ALA  52           HN       ALA  52  12.471  -3.272  -1.628
  394    HA   ALA  52           HA       ALA  52  10.170  -3.919  -3.410
  395   1HB   ALA  52           HB2      ALA  52  10.176  -4.035  -0.575
  396   2HB   ALA  52           HB1      ALA  52   9.289  -2.575  -1.012
  397   3HB   ALA  52           HB3      ALA  52   8.778  -4.139  -1.645
  398    H    SER  53           HN       SER  53   8.654  -1.690  -3.075
  399    HA   SER  53           HA       SER  53  10.060   0.784  -2.758
  400   1HB   SER  53           HB2      SER  53  10.101   1.175  -5.358
  401   2HB   SER  53           HB1      SER  53  11.407   0.271  -4.598
  402    HG   SER  53           HG       SER  53   9.681  -0.531  -6.462
  403    H    VAL  54           HN       VAL  54   8.746   2.615  -3.470
  404    HA   VAL  54           HA       VAL  54   6.047   2.585  -2.969
  405    HB   VAL  54           HB       VAL  54   7.336   4.605  -3.355
  406   1HG1  VAL  54          HG13      VAL  54   8.625   3.357  -5.292
  407   2HG1  VAL  54          HG12      VAL  54   7.391   4.094  -6.313
  408   3HG1  VAL  54          HG11      VAL  54   8.451   5.111  -5.337
  409   1HG2  VAL  54          HG21      VAL  54   4.801   4.092  -4.542
  410   2HG2  VAL  54          HG23      VAL  54   5.446   5.636  -3.988
  411   3HG2  VAL  54          HG22      VAL  54   5.700   5.124  -5.655
  412    H    GLN  55           HN       GLN  55   7.562   1.959  -6.145
  413    HA   GLN  55           HA       GLN  55   5.195   1.607  -7.671
  414   1HB   GLN  55           HB2      GLN  55   7.534   1.757  -8.518
  415   2HB   GLN  55           HB1      GLN  55   7.859   0.157  -7.848
  416   1HG   GLN  55           HG2      GLN  55   6.181  -0.843  -9.297
  417   2HG   GLN  55           HG1      GLN  55   5.706   0.745  -9.899
  418   1HE2  GLN  55          HE22      GLN  55   8.543   1.077 -12.045
  419   2HE2  GLN  55          HE21      GLN  55   7.323   1.935 -11.235
  420    H    LYS  56           HN       LYS  56   7.125  -0.799  -5.860
  421    HA   LYS  56           HA       LYS  56   5.463  -3.063  -6.406
  422   1HB   LYS  56           HB2      LYS  56   7.837  -2.436  -5.066
  423   2HB   LYS  56           HB1      LYS  56   6.781  -3.070  -3.804
  424   1HG   LYS  56           HG2      LYS  56   7.435  -5.110  -4.545
  425   2HG   LYS  56           HG1      LYS  56   6.314  -4.821  -5.877
  426   1HD   LYS  56           HD2      LYS  56   9.122  -3.759  -6.024
  427   2HD   LYS  56           HD1      LYS  56   8.797  -5.447  -6.420
  428   1HE   LYS  56           HE2      LYS  56   7.506  -4.900  -8.291
  429   2HE   LYS  56           HE1      LYS  56   7.097  -3.292  -7.659
  430   1HZ   LYS  56           HZ1      LYS  56   9.854  -4.131  -8.375
  431   2HZ   LYS  56           HZ3      LYS  56   8.838  -3.271  -9.424
  432   3HZ   LYS  56           HZ2      LYS  56   9.330  -2.570  -7.958
  433    H    LEU  57           HN       LEU  57   5.165  -0.458  -4.032
  434    HA   LEU  57           HA       LEU  57   3.298  -1.837  -2.292
  435   1HB   LEU  57           HB2      LEU  57   3.651   1.131  -2.839
  436   2HB   LEU  57           HB1      LEU  57   2.986   0.405  -1.378
  437    HG   LEU  57           HG       LEU  57   5.831  -0.018  -2.362
  438   1HD1  LEU  57          HD13      LEU  57   4.672   2.231  -1.124
  439   2HD1  LEU  57          HD12      LEU  57   5.535   1.374   0.152
  440   3HD1  LEU  57          HD11      LEU  57   6.391   1.882  -1.301
  441   1HD2  LEU  57          HD21      LEU  57   4.206  -1.423  -0.479
  442   2HD2  LEU  57          HD23      LEU  57   5.924  -1.650  -0.812
  443   3HD2  LEU  57          HD22      LEU  57   5.410  -0.511   0.432
  444    H    THR  58           HN       THR  58   2.847   0.700  -4.763
  445    HA   THR  58           HA       THR  58  -0.013   0.538  -4.869
  446    HB   THR  58           HB       THR  58   1.870   1.311  -7.109
  447    HG1  THR  58           HG1      THR  58   1.069   3.087  -5.093
  448   1HG2  THR  58          HG23      THR  58  -0.727   1.316  -7.267
  449   2HG2  THR  58          HG22      THR  58  -0.631   2.732  -6.220
  450   3HG2  THR  58          HG21      THR  58   0.147   2.750  -7.802
  451    H    LYS  59           HN       LYS  59   2.554  -1.415  -6.157
  452    HA   LYS  59           HA       LYS  59   0.911  -2.659  -8.251
  453   1HB   LYS  59           HB2      LYS  59   3.694  -2.677  -7.266
  454   2HB   LYS  59           HB1      LYS  59   3.132  -4.234  -7.875
  455   1HG   LYS  59           HG2      LYS  59   2.162  -2.680  -9.828
  456   2HG   LYS  59           HG1      LYS  59   3.511  -1.660  -9.330
  457   1HD   LYS  59           HD2      LYS  59   4.880  -2.977 -10.536
  458   2HD   LYS  59           HD1      LYS  59   4.527  -4.291  -9.413
  459   1HE   LYS  59           HE2      LYS  59   3.056  -5.306 -10.863
  460   2HE   LYS  59           HE1      LYS  59   2.469  -3.758 -11.504
  461   1HZ   LYS  59           HZ2      LYS  59   5.273  -4.479 -11.954
  462   2HZ   LYS  59           HZ1      LYS  59   4.094  -5.255 -12.900
  463   3HZ   LYS  59           HZ3      LYS  59   4.224  -3.564 -12.928
  464    H    ALA  60           HN       ALA  60   1.707  -3.184  -4.873
  465    HA   ALA  60           HA       ALA  60   0.948  -5.989  -4.802
  466   1HB   ALA  60           HB2      ALA  60   1.881  -3.889  -3.038
  467   2HB   ALA  60           HB1      ALA  60   0.541  -4.750  -2.282
  468   3HB   ALA  60           HB3      ALA  60   1.974  -5.635  -2.807
  469    H    THR  61           HN       THR  61  -0.722  -2.902  -4.184
  470    HA   THR  61           HA       THR  61  -3.273  -4.207  -3.544
  471    HB   THR  61           HB       THR  61  -2.539  -1.942  -2.773
  472    HG1  THR  61           HG1      THR  61  -4.707  -2.259  -2.768
  473   1HG2  THR  61          HG22      THR  61  -1.409  -1.333  -4.925
  474   2HG2  THR  61          HG21      THR  61  -3.004  -1.132  -5.651
  475   3HG2  THR  61          HG23      THR  61  -2.498  -0.082  -4.327
  476    H    ALA  62           HN       ALA  62  -1.705  -2.697  -6.328
  477    HA   ALA  62           HA       ALA  62  -3.832  -2.792  -8.193
  478   1HB   ALA  62           HB3      ALA  62  -0.840  -3.218  -8.501
  479   2HB   ALA  62           HB2      ALA  62  -1.935  -2.882  -9.841
  480   3HB   ALA  62           HB1      ALA  62  -1.683  -1.672  -8.582
  481    H    ASP  63           HN       ASP  63  -1.643  -5.274  -6.957
  482    HA   ASP  63           HA       ASP  63  -2.632  -7.305  -8.856
  483   1HB   ASP  63           HB2      ASP  63  -0.316  -6.858  -7.392
  484   2HB   ASP  63           HB1      ASP  63  -1.096  -8.169  -6.506
  485    H    ALA  64           HN       ALA  64  -3.370  -6.119  -5.661
  486    HA   ALA  64           HA       ALA  64  -4.735  -8.509  -4.715
  487   1HB   ALA  64           HB1      ALA  64  -3.720  -6.438  -3.466
  488   2HB   ALA  64           HB3      ALA  64  -5.273  -5.682  -3.823
  489   3HB   ALA  64           HB2      ALA  64  -5.210  -7.152  -2.849
  490    H    GLY  65           HN       GLY  65  -5.414  -6.079  -7.001
  491   1HA   GLY  65           HA2      GLY  65  -7.385  -6.296  -8.443
  492   2HA   GLY  65           HA1      GLY  65  -8.267  -6.916  -7.049
  493    H    TYR  66           HN       TYR  66  -6.094  -4.202  -6.880
  494    HA   TYR  66           HA       TYR  66  -8.409  -2.324  -6.660
  495   1HB   TYR  66           HB2      TYR  66  -6.108  -2.761  -4.727
  496   2HB   TYR  66           HB1      TYR  66  -7.308  -1.484  -4.580
  497    HD1  TYR  66           HD1      TYR  66  -9.766  -2.880  -5.450
  498    HD2  TYR  66           HD2      TYR  66  -6.566  -4.203  -2.890
  499    HE1  TYR  66           HE1      TYR  66 -11.305  -4.480  -4.333
  500    HE2  TYR  66           HE2      TYR  66  -8.107  -5.784  -1.776
  501    HH   TYR  66           HH       TYR  66 -11.438  -5.631  -2.072
  502    HA   PRO  67           HA       PRO  67  -5.152  -0.621  -9.480
  503   1HB   PRO  67           HB2      PRO  67  -7.276   1.193 -10.269
  504   2HB   PRO  67           HB1      PRO  67  -6.479  -0.052 -11.235
  505   1HG   PRO  67           HG2      PRO  67  -9.128  -0.115 -10.155
  506   2HG   PRO  67           HG1      PRO  67  -8.305  -1.382 -11.070
  507   1HD   PRO  67           HD2      PRO  67  -8.976  -1.394  -8.272
  508   2HD   PRO  67           HD1      PRO  67  -8.088  -2.642  -9.181
  509    H    SER  68           HN       SER  68  -4.035   0.349  -7.672
  510    HA   SER  68           HA       SER  68  -5.225   2.882  -6.613
  511   1HB   SER  68           HB2      SER  68  -4.523   2.062  -4.634
  512   2HB   SER  68           HB1      SER  68  -4.000   0.602  -5.469
  513    HG   SER  68           HG       SER  68  -1.987   1.331  -5.509
  514    H    SER  69           HN       SER  69  -3.041   4.159  -5.687
  515    HA   SER  69           HA       SER  69  -0.984   4.406  -7.793
  516   1HB   SER  69           HB2      SER  69  -3.359   5.916  -7.828
  517   2HB   SER  69           HB1      SER  69  -2.155   7.000  -7.138
  518    HG   SER  69           HG       SER  69  -2.262   5.776  -9.659
  519    H    VAL  70           HN       VAL  70   0.463   6.471  -6.932
  520    HA   VAL  70           HA       VAL  70   0.496   6.295  -3.952
  521    HB   VAL  70           HB       VAL  70   2.031   4.763  -5.241
  522   1HG1  VAL  70          HG13      VAL  70   2.517   6.639  -6.948
  523   2HG1  VAL  70          HG12      VAL  70   3.640   7.270  -5.744
  524   3HG1  VAL  70          HG11      VAL  70   3.887   5.660  -6.421
  525   1HG2  VAL  70          HG22      VAL  70   2.404   6.145  -2.879
  526   2HG2  VAL  70          HG21      VAL  70   3.451   4.844  -3.449
  527   3HG2  VAL  70          HG23      VAL  70   3.877   6.526  -3.762
  528    H    LYS  71           HN       LYS  71   1.539   8.084  -2.869
  529    HA   LYS  71           HA       LYS  71   2.454  10.375  -4.477
  530   1HB   LYS  71           HB2      LYS  71   0.549  11.813  -3.534
  531   2HB   LYS  71           HB1      LYS  71   0.097  10.651  -4.786
  532   1HG   LYS  71           HG2      LYS  71  -1.305   9.625  -3.364
  533   2HG   LYS  71           HG1      LYS  71   0.024   9.341  -2.240
  534   1HD   LYS  71           HD2      LYS  71  -0.629  11.023  -0.883
  535   2HD   LYS  71           HD1      LYS  71  -0.864  12.124  -2.239
  536   1HE   LYS  71           HE2      LYS  71  -3.084  11.360  -2.623
  537   2HE   LYS  71           HE1      LYS  71  -2.840   9.913  -1.625
  538   1HZ   LYS  71           HZ3      LYS  71  -2.334  12.520  -0.399
  539   2HZ   LYS  71           HZ2      LYS  71  -3.956  12.077  -0.645
  540   3HZ   LYS  71           HZ1      LYS  71  -2.939  11.097   0.300
  541    H    GLN  72           HN       GLN  72   3.680   8.903  -2.421
  542    HA   GLN  72           HA       GLN  72   4.882   9.226  -0.407
  543   1HB   GLN  72           HB2      GLN  72   4.471  11.795  -1.766
  544   2HB   GLN  72           HB1      GLN  72   4.781  11.971  -0.039
  545   1HG   GLN  72           HG2      GLN  72   6.956  11.465  -0.315
  546   2HG   GLN  72           HG1      GLN  72   6.546   9.978  -1.172
  547   1HE2  GLN  72          HE22      GLN  72   8.225  11.704  -3.849
  548   2HE2  GLN  72          HE21      GLN  72   8.488  10.613  -2.575
   
  No H/Q in entry =         548
  Start of MODEL   14
    1   1H    ALA   1           HT1      ALA   1  18.264   2.455   2.069
    2   2H    ALA   1           HT3      ALA   1  19.057   2.112   0.609
    3   3H    ALA   1           HT2      ALA   1  18.411   3.661   0.882
    4    HA   ALA   1           HA       ALA   1  16.674   2.898  -0.324
    5   1HB   ALA   1           HB1      ALA   1  18.114   0.391   0.329
    6   2HB   ALA   1           HB3      ALA   1  16.397   0.199  -0.028
    7   3HB   ALA   1           HB2      ALA   1  17.467   0.945  -1.215
    8    H    THR   2           HN       THR   2  15.521   4.040   1.424
    9    HA   THR   2           HA       THR   2  13.751   2.275   2.974
   10    HB   THR   2           HB       THR   2  14.376   4.342   4.699
   11    HG1  THR   2           HG1      THR   2  16.814   3.884   4.646
   12   1HG2  THR   2          HG23      THR   2  15.367   1.508   4.476
   13   2HG2  THR   2          HG22      THR   2  15.790   2.529   5.850
   14   3HG2  THR   2          HG21      THR   2  14.100   2.142   5.526
   15    H    GLN   3           HN       GLN   3  12.216   3.084   1.382
   16    HA   GLN   3           HA       GLN   3  11.720   6.037   1.491
   17   1HB   GLN   3           HB2      GLN   3  10.596   4.088  -0.515
   18   2HB   GLN   3           HB1      GLN   3  10.893   5.814  -0.710
   19   1HG   GLN   3           HG2      GLN   3  13.055   3.717  -0.352
   20   2HG   GLN   3           HG1      GLN   3  12.586   4.426  -1.897
   21   1HE2  GLN   3          HE22      GLN   3  15.473   6.404  -0.618
   22   2HE2  GLN   3          HE21      GLN   3  15.225   4.796  -1.100
   23    H    THR   4           HN       THR   4   9.540   6.796   1.572
   24    HA   THR   4           HA       THR   4   7.497   4.855   2.580
   25    HB   THR   4           HB       THR   4   8.042   7.614   3.723
   26    HG1  THR   4           HG1      THR   4   8.950   5.067   4.571
   27   1HG2  THR   4          HG21      THR   4   6.484   5.219   4.736
   28   2HG2  THR   4          HG23      THR   4   6.720   6.725   5.623
   29   3HG2  THR   4          HG22      THR   4   5.796   6.722   4.121
   30    H    VAL   5           HN       VAL   5   5.857   5.026   1.086
   31    HA   VAL   5           HA       VAL   5   5.217   7.752  -0.019
   32    HB   VAL   5           HB       VAL   5   4.649   6.596  -2.073
   33   1HG1  VAL   5          HG11      VAL   5   7.204   6.767  -1.034
   34   2HG1  VAL   5          HG13      VAL   5   7.107   5.080  -1.539
   35   3HG1  VAL   5          HG12      VAL   5   6.813   6.369  -2.707
   36   1HG2  VAL   5          HG22      VAL   5   3.723   4.570  -0.843
   37   2HG2  VAL   5          HG21      VAL   5   4.673   4.202  -2.283
   38   3HG2  VAL   5          HG23      VAL   5   5.387   4.008  -0.682
   39    H    THR   6           HN       THR   6   2.903   7.886  -0.710
   40    HA   THR   6           HA       THR   6   1.149   6.472   1.250
   41    HB   THR   6           HB       THR   6   1.363   8.995   1.291
   42    HG1  THR   6           HG1      THR   6  -1.032   9.258   0.975
   43   1HG2  THR   6          HG21      THR   6   1.056   8.624  -1.516
   44   2HG2  THR   6          HG23      THR   6  -0.332   9.549  -0.945
   45   3HG2  THR   6          HG22      THR   6   1.303  10.135  -0.641
   46    H    LEU   7           HN       LEU   7  -0.979   5.762   0.325
   47    HA   LEU   7           HA       LEU   7  -0.808   5.386  -2.643
   48   1HB   LEU   7           HB2      LEU   7  -0.718   3.473  -0.454
   49   2HB   LEU   7           HB1      LEU   7  -2.052   3.117  -1.549
   50    HG   LEU   7           HG       LEU   7  -0.584   3.023  -3.434
   51   1HD1  LEU   7          HD12      LEU   7   1.350   4.306  -1.549
   52   2HD1  LEU   7          HD11      LEU   7   1.952   3.357  -2.909
   53   3HD1  LEU   7          HD13      LEU   7   0.926   4.756  -3.195
   54   1HD2  LEU   7          HD21      LEU   7   0.212   1.530  -0.982
   55   2HD2  LEU   7          HD23      LEU   7  -0.319   0.910  -2.545
   56   3HD2  LEU   7          HD22      LEU   7   1.339   1.474  -2.337
   57    H    ALA   8           HN       ALA   8  -2.794   5.193  -3.713
   58    HA   ALA   8           HA       ALA   8  -5.222   6.007  -2.132
   59   1HB   ALA   8           HB3      ALA   8  -3.818   7.194  -4.370
   60   2HB   ALA   8           HB2      ALA   8  -5.472   6.800  -4.836
   61   3HB   ALA   8           HB1      ALA   8  -5.172   7.848  -3.449
   62    H    VAL   9           HN       VAL   9  -6.363   4.061  -2.027
   63    HA   VAL   9           HA       VAL   9  -6.573   2.453  -4.552
   64    HB   VAL   9           HB       VAL   9  -5.529   1.398  -2.591
   65   1HG1  VAL   9          HG11      VAL   9  -7.472   2.838  -1.179
   66   2HG1  VAL   9          HG13      VAL   9  -7.952   1.152  -0.998
   67   3HG1  VAL   9          HG12      VAL   9  -6.340   1.667  -0.503
   68   1HG2  VAL   9          HG21      VAL   9  -7.010   0.101  -4.189
   69   2HG2  VAL   9          HG23      VAL   9  -6.846  -0.616  -2.587
   70   3HG2  VAL   9          HG22      VAL   9  -8.310   0.272  -3.010
   71    HA   PRO  10           HA       PRO  10 -10.805   4.234  -4.070
   72   1HB   PRO  10           HB2      PRO  10 -11.118   4.027  -6.883
   73   2HB   PRO  10           HB1      PRO  10 -10.783   5.492  -5.956
   74   1HG   PRO  10           HG2      PRO  10  -9.010   4.035  -7.723
   75   2HG   PRO  10           HG1      PRO  10  -8.733   5.581  -6.915
   76   1HD   PRO  10           HD2      PRO  10  -7.566   3.029  -6.273
   77   2HD   PRO  10           HD1      PRO  10  -7.331   4.579  -5.430
   78    H    GLY  11           HN       GLY  11  -9.508   1.244  -4.954
   79   1HA   GLY  11           HA2      GLY  11 -11.992   0.048  -5.959
   80   2HA   GLY  11           HA1      GLY  11 -10.493  -0.815  -5.616
   81    H    MET  12           HN       MET  12 -11.446   1.213  -3.068
   82    HA   MET  12           HA       MET  12 -12.389  -1.139  -1.526
   83   1HB   MET  12           HB2      MET  12 -11.576   0.141   0.402
   84   2HB   MET  12           HB1      MET  12 -10.322   0.078  -0.837
   85   1HG   MET  12           HG2      MET  12 -10.269   2.338  -0.476
   86   2HG   MET  12           HG1      MET  12 -11.606   2.322  -1.624
   87   1HE   MET  12           HE3      MET  12 -12.588   4.398  -1.029
   88   2HE   MET  12           HE2      MET  12 -13.916   3.245  -1.127
   89   3HE   MET  12           HE1      MET  12 -13.904   4.457   0.152
   90    H    THR  13           HN       THR  13 -13.639   0.215   0.587
   91    HA   THR  13           HA       THR  13 -15.466   2.273  -0.210
   92    HB   THR  13           HB       THR  13 -16.304   0.705  -1.782
   93    HG1  THR  13           HG1      THR  13 -17.959   1.720  -0.668
   94   1HG2  THR  13          HG22      THR  13 -15.904  -1.204   0.470
   95   2HG2  THR  13          HG21      THR  13 -17.201  -1.550  -0.670
   96   3HG2  THR  13          HG23      THR  13 -15.540  -1.400  -1.243
   97    H    CYS  14           HN       CYS  14 -14.377   0.091   2.244
   98    HA   CYS  14           HA       CYS  14 -15.866   1.534   4.267
   99   1HB   CYS  14           HB2      CYS  14 -17.466  -0.136   4.871
  100   2HB   CYS  14           HB1      CYS  14 -17.561  -0.024   3.115
  101    H    ALA  15           HN       ALA  15 -15.884  -0.525   6.247
  102    HA   ALA  15           HA       ALA  15 -12.991  -0.711   6.794
  103   1HB   ALA  15           HB1      ALA  15 -15.580  -1.265   8.243
  104   2HB   ALA  15           HB3      ALA  15 -14.046  -1.817   8.919
  105   3HB   ALA  15           HB2      ALA  15 -14.321  -0.096   8.646
  106    H    ALA  16           HN       ALA  16 -13.128  -2.225   4.662
  107    HA   ALA  16           HA       ALA  16 -12.815  -4.974   5.629
  108   1HB   ALA  16           HB3      ALA  16 -15.038  -4.128   3.751
  109   2HB   ALA  16           HB2      ALA  16 -14.580  -5.806   4.039
  110   3HB   ALA  16           HB1      ALA  16 -15.222  -4.828   5.359
  111    H    CYS  17           HN       CYS  17 -13.077  -2.880   2.700
  112    HA   CYS  17           HA       CYS  17 -11.046  -4.668   1.447
  113   1HB   CYS  17           HB2      CYS  17 -11.876  -3.622  -0.703
  114   2HB   CYS  17           HB1      CYS  17 -13.045  -4.598   0.173
  115    HA   PRO  18           HA       PRO  18  -9.085  -0.385   0.831
  116   1HB   PRO  18           HB2      PRO  18  -9.523   1.363   2.952
  117   2HB   PRO  18           HB1      PRO  18 -10.356   1.442   1.403
  118   1HG   PRO  18           HG2      PRO  18 -11.410   0.639   4.010
  119   2HG   PRO  18           HG1      PRO  18 -12.287   1.045   2.531
  120   1HD   PRO  18           HD2      PRO  18 -11.813  -1.577   3.628
  121   2HD   PRO  18           HD1      PRO  18 -12.654  -1.166   2.123
  122    H    ILE  19           HN       ILE  19  -9.840  -1.446   4.095
  123    HA   ILE  19           HA       ILE  19  -7.266  -1.108   5.318
  124    HB   ILE  19           HB       ILE  19  -9.625  -2.967   5.746
  125   1HG1  ILE  19          HG12      ILE  19  -8.730  -0.613   7.417
  126   2HG1  ILE  19          HG11      ILE  19  -9.819  -0.423   6.042
  127   1HG2  ILE  19          HG22      ILE  19  -6.993  -3.129   6.867
  128   2HG2  ILE  19          HG21      ILE  19  -8.117  -2.629   8.130
  129   3HG2  ILE  19          HG23      ILE  19  -8.406  -4.119   7.233
  130   1HD1  ILE  19          HD11      ILE  19 -10.327  -2.326   8.345
  131   2HD1  ILE  19          HD13      ILE  19 -11.009  -0.703   8.241
  132   3HD1  ILE  19          HD12      ILE  19 -11.440  -1.920   7.039
  133    H    THR  20           HN       THR  20  -8.665  -3.605   3.250
  134    HA   THR  20           HA       THR  20  -6.727  -5.676   3.715
  135    HB   THR  20           HB       THR  20  -8.258  -5.095   1.155
  136    HG1  THR  20           HG1      THR  20  -9.742  -6.624   2.495
  137   1HG2  THR  20          HG23      THR  20  -7.277  -7.599   2.555
  138   2HG2  THR  20          HG22      THR  20  -8.399  -7.627   1.195
  139   3HG2  THR  20          HG21      THR  20  -6.771  -6.983   0.981
  140    H    VAL  21           HN       VAL  21  -6.706  -2.696   1.990
  141    HA   VAL  21           HA       VAL  21  -4.602  -3.281   0.118
  142    HB   VAL  21           HB       VAL  21  -5.524  -0.688   1.409
  143   1HG1  VAL  21          HG12      VAL  21  -3.416  -1.286  -0.467
  144   2HG1  VAL  21          HG11      VAL  21  -4.644  -0.285  -1.243
  145   3HG1  VAL  21          HG13      VAL  21  -3.862   0.267   0.238
  146   1HG2  VAL  21          HG22      VAL  21  -6.407  -2.121  -1.115
  147   2HG2  VAL  21          HG21      VAL  21  -7.387  -1.802   0.317
  148   3HG2  VAL  21          HG23      VAL  21  -6.863  -0.466  -0.708
  149    H    LYS  22           HN       LYS  22  -4.839  -2.206   3.453
  150    HA   LYS  22           HA       LYS  22  -2.075  -1.482   3.806
  151   1HB   LYS  22           HB2      LYS  22  -4.047  -0.854   5.264
  152   2HB   LYS  22           HB1      LYS  22  -4.070  -2.522   5.843
  153   1HG   LYS  22           HG2      LYS  22  -1.397  -1.767   6.066
  154   2HG   LYS  22           HG1      LYS  22  -2.288  -0.339   6.591
  155   1HD   LYS  22           HD2      LYS  22  -2.420  -1.399   8.593
  156   2HD   LYS  22           HD1      LYS  22  -3.673  -2.376   7.826
  157   1HE   LYS  22           HE2      LYS  22  -0.942  -3.296   7.219
  158   2HE   LYS  22           HE1      LYS  22  -1.371  -3.402   8.939
  159   1HZ   LYS  22           HZ1      LYS  22  -3.052  -4.373   6.687
  160   2HZ   LYS  22           HZ3      LYS  22  -2.125  -5.363   7.705
  161   3HZ   LYS  22           HZ2      LYS  22  -3.435  -4.486   8.338
  162    H    LYS  23           HN       LYS  23  -3.974  -4.431   4.161
  163    HA   LYS  23           HA       LYS  23  -1.952  -6.051   5.339
  164   1HB   LYS  23           HB2      LYS  23  -4.513  -6.389   4.925
  165   2HB   LYS  23           HB1      LYS  23  -3.996  -7.048   3.372
  166   1HG   LYS  23           HG2      LYS  23  -2.782  -8.008   5.961
  167   2HG   LYS  23           HG1      LYS  23  -4.275  -8.707   5.333
  168   1HD   LYS  23           HD2      LYS  23  -2.940  -8.942   3.102
  169   2HD   LYS  23           HD1      LYS  23  -1.518  -8.764   4.130
  170   1HE   LYS  23           HE2      LYS  23  -1.737 -10.874   4.948
  171   2HE   LYS  23           HE1      LYS  23  -3.475 -10.657   5.231
  172   1HZ   LYS  23           HZ1      LYS  23  -3.526 -10.653   2.631
  173   2HZ   LYS  23           HZ3      LYS  23  -2.088 -11.536   2.799
  174   3HZ   LYS  23           HZ2      LYS  23  -3.527 -12.120   3.489
  175    H    ALA  24           HN       ALA  24  -2.633  -5.104   2.063
  176    HA   ALA  24           HA       ALA  24  -0.990  -6.936   0.654
  177   1HB   ALA  24           HB3      ALA  24  -2.731  -4.908   0.081
  178   2HB   ALA  24           HB2      ALA  24  -1.191  -4.172  -0.363
  179   3HB   ALA  24           HB1      ALA  24  -1.697  -5.683  -1.118
  180    H    LEU  25           HN       LEU  25  -0.260  -3.536   1.582
  181    HA   LEU  25           HA       LEU  25   2.514  -3.667   0.823
  182   1HB   LEU  25           HB2      LEU  25   1.375  -1.938   3.022
  183   2HB   LEU  25           HB1      LEU  25   2.646  -1.538   1.869
  184    HG   LEU  25           HG       LEU  25   0.409  -2.196   0.302
  185   1HD1  LEU  25          HD12      LEU  25  -0.834  -1.927   2.512
  186   2HD1  LEU  25          HD11      LEU  25  -0.377  -0.225   2.458
  187   3HD1  LEU  25          HD13      LEU  25  -1.398  -0.905   1.190
  188   1HD2  LEU  25          HD23      LEU  25   2.269  -0.090   0.668
  189   2HD2  LEU  25          HD22      LEU  25   1.153  -0.303  -0.681
  190   3HD2  LEU  25          HD21      LEU  25   0.671   0.653   0.720
  191    H    SER  26           HN       SER  26   0.800  -4.718   3.669
  192    HA   SER  26           HA       SER  26   3.124  -4.848   5.421
  193   1HB   SER  26           HB2      SER  26   0.248  -5.667   5.415
  194   2HB   SER  26           HB1      SER  26   1.314  -6.464   6.569
  195    HG   SER  26           HG       SER  26   0.418  -4.557   7.435
  196    H    LYS  27           HN       LYS  27   1.710  -6.851   2.960
  197    HA   LYS  27           HA       LYS  27   3.445  -9.117   3.803
  198   1HB   LYS  27           HB2      LYS  27   1.338 -10.029   3.711
  199   2HB   LYS  27           HB1      LYS  27   0.747  -8.780   2.619
  200   1HG   LYS  27           HG2      LYS  27   2.688 -10.873   1.657
  201   2HG   LYS  27           HG1      LYS  27   0.956 -11.197   1.708
  202   1HD   LYS  27           HD2      LYS  27   1.512  -8.592   0.539
  203   2HD   LYS  27           HD1      LYS  27   2.325  -9.885  -0.346
  204   1HE   LYS  27           HE2      LYS  27  -0.394 -10.654   0.380
  205   2HE   LYS  27           HE1      LYS  27  -0.369  -9.178  -0.606
  206   1HZ   LYS  27           HZ3      LYS  27   1.213 -10.305  -2.102
  207   2HZ   LYS  27           HZ2      LYS  27   1.019 -11.737  -1.207
  208   3HZ   LYS  27           HZ1      LYS  27  -0.296 -11.078  -2.056
  209    H    VAL  28           HN       VAL  28   3.464  -6.538   1.737
  210    HA   VAL  28           HA       VAL  28   4.080  -7.420  -0.832
  211    HB   VAL  28           HB       VAL  28   5.034  -5.227   0.985
  212   1HG1  VAL  28          HG11      VAL  28   6.515  -6.226  -1.341
  213   2HG1  VAL  28          HG13      VAL  28   6.050  -4.534  -1.508
  214   3HG1  VAL  28          HG12      VAL  28   7.005  -5.053  -0.120
  215   1HG2  VAL  28          HG23      VAL  28   2.840  -5.181  -0.238
  216   2HG2  VAL  28          HG22      VAL  28   3.902  -3.835  -0.650
  217   3HG2  VAL  28          HG21      VAL  28   3.738  -5.199  -1.756
  218    H    GLU  29           HN       GLU  29   6.865  -6.488   1.139
  219    HA   GLU  29           HA       GLU  29   8.086  -9.064   1.401
  220   1HB   GLU  29           HB2      GLU  29   9.481  -9.162  -0.533
  221   2HB   GLU  29           HB1      GLU  29   7.889  -8.726  -1.144
  222   1HG   GLU  29           HG2      GLU  29   8.541  -6.346  -1.165
  223   2HG   GLU  29           HG1      GLU  29  10.137  -6.780  -0.554
  224    H    GLY  30           HN       GLY  30   8.770  -5.627   0.678
  225   1HA   GLY  30           HA2      GLY  30  11.017  -5.779   2.641
  226   2HA   GLY  30           HA1      GLY  30  10.954  -4.624   1.311
  227    H    VAL  31           HN       VAL  31   7.892  -4.597   2.187
  228    HA   VAL  31           HA       VAL  31   7.830  -2.064   3.403
  229    HB   VAL  31           HB       VAL  31   6.019  -4.475   3.404
  230   1HG1  VAL  31          HG11      VAL  31   5.906  -2.168   5.205
  231   2HG1  VAL  31          HG13      VAL  31   4.448  -2.334   4.227
  232   3HG1  VAL  31          HG12      VAL  31   4.981  -3.669   5.249
  233   1HG2  VAL  31          HG23      VAL  31   6.220  -1.824   2.013
  234   2HG2  VAL  31          HG22      VAL  31   5.907  -3.420   1.331
  235   3HG2  VAL  31          HG21      VAL  31   4.630  -2.564   2.197
  236    H    SER  32           HN       SER  32   8.505  -1.374   5.320
  237    HA   SER  32           HA       SER  32   8.929  -3.364   7.517
  238   1HB   SER  32           HB2      SER  32  10.648  -1.594   6.333
  239   2HB   SER  32           HB1      SER  32  10.069  -0.639   7.695
  240    HG   SER  32           HG       SER  32  11.357  -1.795   8.870
  241    H    LYS  33           HN       LYS  33   7.000  -0.767   6.492
  242    HA   LYS  33           HA       LYS  33   5.596  -0.718   9.094
  243   1HB   LYS  33           HB2      LYS  33   6.894   1.040   9.757
  244   2HB   LYS  33           HB1      LYS  33   7.477   1.336   8.125
  245   1HG   LYS  33           HG2      LYS  33   5.222   2.397   7.623
  246   2HG   LYS  33           HG1      LYS  33   4.871   2.284   9.348
  247   1HD   LYS  33           HD2      LYS  33   7.492   3.415   8.976
  248   2HD   LYS  33           HD1      LYS  33   6.322   4.318   8.012
  249   1HE   LYS  33           HE2      LYS  33   5.179   3.726  10.601
  250   2HE   LYS  33           HE1      LYS  33   6.741   4.544  10.799
  251   1HZ   LYS  33           HZ1      LYS  33   4.823   5.452   8.750
  252   2HZ   LYS  33           HZ3      LYS  33   4.660   5.975  10.355
  253   3HZ   LYS  33           HZ2      LYS  33   6.082   6.318   9.492
  254    H    VAL  34           HN       VAL  34   3.466   0.437   8.848
  255    HA   VAL  34           HA       VAL  34   2.703   1.154   6.085
  256    HB   VAL  34           HB       VAL  34   2.584  -1.277   6.141
  257   1HG1  VAL  34          HG13      VAL  34   1.587  -0.746   8.811
  258   2HG1  VAL  34          HG12      VAL  34   0.480  -1.800   7.933
  259   3HG1  VAL  34          HG11      VAL  34   2.171  -2.262   8.125
  260   1HG2  VAL  34          HG22      VAL  34   0.714   0.230   5.117
  261   2HG2  VAL  34          HG21      VAL  34   0.400  -1.497   5.299
  262   3HG2  VAL  34          HG23      VAL  34  -0.262  -0.350   6.465
  263    H    ASP  35           HN       ASP  35   0.469   1.933   5.962
  264    HA   ASP  35           HA       ASP  35  -0.769   2.738   8.562
  265   1HB   ASP  35           HB2      ASP  35   0.551   4.395   6.564
  266   2HB   ASP  35           HB1      ASP  35  -1.139   4.859   6.739
  267    H    VAL  36           HN       VAL  36  -3.072   2.722   8.425
  268    HA   VAL  36           HA       VAL  36  -4.129   1.614   5.855
  269    HB   VAL  36           HB       VAL  36  -5.719   1.553   8.371
  270   1HG1  VAL  36          HG13      VAL  36  -5.541   0.177   5.854
  271   2HG1  VAL  36          HG12      VAL  36  -5.356  -0.987   7.166
  272   3HG1  VAL  36          HG11      VAL  36  -6.785   0.044   7.097
  273   1HG2  VAL  36          HG21      VAL  36  -2.982   0.422   8.137
  274   2HG2  VAL  36          HG23      VAL  36  -3.906   0.842   9.578
  275   3HG2  VAL  36          HG22      VAL  36  -4.217  -0.679   8.744
  276    H    GLY  37           HN       GLY  37  -5.491   2.822   4.672
  277   1HA   GLY  37           HA2      GLY  37  -6.892   5.118   5.986
  278   2HA   GLY  37           HA1      GLY  37  -6.376   5.132   4.292
  279    H    PHE  38           HN       PHE  38  -7.967   2.677   6.281
  280    HA   PHE  38           HA       PHE  38  -9.490   1.192   4.728
  281   1HB   PHE  38           HB2      PHE  38 -11.261   1.309   6.489
  282   2HB   PHE  38           HB1      PHE  38  -9.627   1.172   7.123
  283    HD1  PHE  38           HD1      PHE  38  -9.973   4.441   5.824
  284    HD2  PHE  38           HD2      PHE  38 -11.114   2.004   9.174
  285    HE1  PHE  38           HE1      PHE  38 -10.330   6.476   7.183
  286    HE2  PHE  38           HE2      PHE  38 -11.471   4.044  10.532
  287    HZ   PHE  38           HZ       PHE  38 -11.079   6.281   9.538
  288    H    GLU  39           HN       GLU  39 -12.142   2.847   5.763
  289    HA   GLU  39           HA       GLU  39 -13.486   3.163   3.402
  290   1HB   GLU  39           HB2      GLU  39 -14.394   3.585   5.645
  291   2HB   GLU  39           HB1      GLU  39 -13.432   5.057   5.773
  292   1HG   GLU  39           HG2      GLU  39 -15.207   6.138   4.889
  293   2HG   GLU  39           HG1      GLU  39 -14.780   5.369   3.361
  294    H    LYS  40           HN       LYS  40 -11.058   5.423   4.691
  295    HA   LYS  40           HA       LYS  40 -11.462   7.322   2.473
  296   1HB   LYS  40           HB2      LYS  40 -10.829   7.736   4.975
  297   2HB   LYS  40           HB1      LYS  40  -9.194   7.320   4.459
  298   1HG   LYS  40           HG2      LYS  40  -9.764   9.045   2.506
  299   2HG   LYS  40           HG1      LYS  40 -10.872   9.680   3.723
  300   1HD   LYS  40           HD2      LYS  40  -8.098   9.059   4.618
  301   2HD   LYS  40           HD1      LYS  40  -8.308  10.470   3.580
  302   1HE   LYS  40           HE2      LYS  40  -9.204  11.664   5.286
  303   2HE   LYS  40           HE1      LYS  40 -10.363  10.370   5.647
  304   1HZ   LYS  40           HZ3      LYS  40  -7.564   9.851   6.275
  305   2HZ   LYS  40           HZ2      LYS  40  -8.367  10.964   7.276
  306   3HZ   LYS  40           HZ1      LYS  40  -8.964   9.382   7.109
  307    H    ARG  41           HN       ARG  41 -10.694   4.668   1.668
  308    HA   ARG  41           HA       ARG  41  -8.707   3.450   0.849
  309   1HB   ARG  41           HB2      ARG  41  -8.830   4.093  -1.502
  310   2HB   ARG  41           HB1      ARG  41 -10.437   4.153  -0.783
  311   1HG   ARG  41           HG2      ARG  41 -10.626   6.317  -1.335
  312   2HG   ARG  41           HG1      ARG  41  -9.171   6.699  -0.415
  313   1HD   ARG  41           HD2      ARG  41  -8.055   7.059  -2.362
  314   2HD   ARG  41           HD1      ARG  41  -8.377   5.383  -2.848
  315    HE   ARG  41           HE       ARG  41 -10.803   6.743  -3.210
  316   1HH1  ARG  41          HH21      ARG  41  -7.544   6.992  -4.326
  317   2HH1  ARG  41          HH22      ARG  41  -7.983   7.686  -5.850
  318   1HH2  ARG  41          HH11      ARG  41 -11.387   7.646  -5.192
  319   2HH2  ARG  41          HH12      ARG  41 -10.157   8.053  -6.342
  320    H    GLU  42           HN       GLU  42  -6.853   4.139   2.170
  321    HA   GLU  42           HA       GLU  42  -4.928   5.653   0.570
  322   1HB   GLU  42           HB2      GLU  42  -6.499   7.237   1.934
  323   2HB   GLU  42           HB1      GLU  42  -5.533   6.721   3.317
  324   1HG   GLU  42           HG2      GLU  42  -3.638   7.787   2.571
  325   2HG   GLU  42           HG1      GLU  42  -4.052   7.559   0.871
  326    H    ALA  43           HN       ALA  43  -3.242   4.187   0.763
  327    HA   ALA  43           HA       ALA  43  -2.670   3.099   3.500
  328   1HB   ALA  43           HB2      ALA  43  -2.022   2.119   0.701
  329   2HB   ALA  43           HB1      ALA  43  -1.508   1.307   2.179
  330   3HB   ALA  43           HB3      ALA  43  -3.224   1.437   1.796
  331    H    VAL  44           HN       VAL  44  -0.920   4.061   4.467
  332    HA   VAL  44           HA       VAL  44   1.184   5.265   2.693
  333    HB   VAL  44           HB       VAL  44  -0.085   5.916   5.306
  334   1HG1  VAL  44          HG13      VAL  44   2.827   6.566   4.740
  335   2HG1  VAL  44          HG12      VAL  44   1.875   7.216   6.075
  336   3HG1  VAL  44          HG11      VAL  44   2.245   5.493   6.013
  337   1HG2  VAL  44          HG22      VAL  44  -0.493   7.191   3.220
  338   2HG2  VAL  44          HG21      VAL  44   0.234   8.203   4.468
  339   3HG2  VAL  44          HG23      VAL  44   1.222   7.591   3.143
  340    H    VAL  45           HN       VAL  45   3.050   4.043   2.573
  341    HA   VAL  45           HA       VAL  45   3.646   2.315   4.952
  342    HB   VAL  45           HB       VAL  45   3.493   1.714   2.007
  343   1HG1  VAL  45          HG12      VAL  45   5.223   0.457   4.080
  344   2HG1  VAL  45          HG11      VAL  45   4.346  -0.635   3.009
  345   3HG1  VAL  45          HG13      VAL  45   5.454   0.560   2.335
  346   1HG2  VAL  45          HG21      VAL  45   1.620   1.456   3.874
  347   2HG2  VAL  45          HG23      VAL  45   1.824   0.229   2.623
  348   3HG2  VAL  45          HG22      VAL  45   2.503  -0.029   4.230
  349    H    THR  46           HN       THR  46   5.781   1.800   5.324
  350    HA   THR  46           HA       THR  46   7.870   3.446   3.934
  351    HB   THR  46           HB       THR  46   7.373   2.561   6.776
  352    HG1  THR  46           HG1      THR  46   8.154   4.768   7.062
  353   1HG2  THR  46          HG21      THR  46   9.636   1.735   6.165
  354   2HG2  THR  46          HG23      THR  46  10.077   3.368   5.664
  355   3HG2  THR  46          HG22      THR  46   9.706   3.034   7.356
  356    H    PHE  47           HN       PHE  47   9.902   2.198   3.557
  357    HA   PHE  47           HA       PHE  47   9.977  -0.615   4.245
  358   1HB   PHE  47           HB2      PHE  47   9.446  -1.494   2.042
  359   2HB   PHE  47           HB1      PHE  47   8.125  -0.448   2.571
  360    HD1  PHE  47           HD2      PHE  47  11.047  -0.723   0.311
  361    HD2  PHE  47           HD1      PHE  47   7.720   1.707   1.558
  362    HE1  PHE  47           HE2      PHE  47  11.356   0.725  -1.669
  363    HE2  PHE  47           HE1      PHE  47   8.037   3.151  -0.430
  364    HZ   PHE  47           HZ       PHE  47   9.853   2.658  -2.041
  365    H    ASP  48           HN       ASP  48  11.582  -1.748   2.660
  366    HA   ASP  48           HA       ASP  48  13.903   0.086   2.308
  367   1HB   ASP  48           HB2      ASP  48  13.493  -2.808   3.004
  368   2HB   ASP  48           HB1      ASP  48  15.005  -2.337   2.227
  369    H    ASP  49           HN       ASP  49  14.142   0.664   0.181
  370    HA   ASP  49           HA       ASP  49  12.717  -0.689  -1.926
  371   1HB   ASP  49           HB2      ASP  49  13.207   1.678  -2.006
  372   2HB   ASP  49           HB1      ASP  49  14.941   1.368  -1.906
  373    H    THR  50           HN       THR  50  15.428  -1.745  -0.313
  374    HA   THR  50           HA       THR  50  17.161  -2.606  -2.434
  375    HB   THR  50           HB       THR  50  17.612  -2.485   0.061
  376    HG1  THR  50           HG1      THR  50  19.158  -3.847  -0.316
  377   1HG2  THR  50          HG23      THR  50  15.364  -4.209   0.110
  378   2HG2  THR  50          HG22      THR  50  16.745  -5.164   0.650
  379   3HG2  THR  50          HG21      THR  50  16.331  -3.663   1.480
  380    H    LYS  51           HN       LYS  51  14.043  -3.669  -1.412
  381    HA   LYS  51           HA       LYS  51  14.226  -5.988  -3.276
  382   1HB   LYS  51           HB2      LYS  51  13.303  -5.898  -0.407
  383   2HB   LYS  51           HB1      LYS  51  12.793  -7.188  -1.496
  384   1HG   LYS  51           HG2      LYS  51  15.585  -6.930  -1.850
  385   2HG   LYS  51           HG1      LYS  51  15.308  -6.887  -0.109
  386   1HD   LYS  51           HD2      LYS  51  14.019  -8.965  -1.885
  387   2HD   LYS  51           HD1      LYS  51  15.605  -9.210  -1.154
  388   1HE   LYS  51           HE2      LYS  51  13.579  -8.244   0.756
  389   2HE   LYS  51           HE1      LYS  51  13.224  -9.846   0.077
  390   1HZ   LYS  51           HZ2      LYS  51  15.973  -9.188   0.899
  391   2HZ   LYS  51           HZ1      LYS  51  14.843  -9.647   2.081
  392   3HZ   LYS  51           HZ3      LYS  51  15.212 -10.705   0.808
  393    H    ALA  52           HN       ALA  52  12.134  -3.896  -1.373
  394    HA   ALA  52           HA       ALA  52   9.911  -4.301  -3.334
  395   1HB   ALA  52           HB2      ALA  52   9.814  -4.565  -0.712
  396   2HB   ALA  52           HB1      ALA  52   9.715  -2.804  -0.733
  397   3HB   ALA  52           HB3      ALA  52   8.486  -3.766  -1.552
  398    H    SER  53           HN       SER  53   8.529  -1.967  -3.088
  399    HA   SER  53           HA       SER  53  10.105   0.439  -3.151
  400   1HB   SER  53           HB2      SER  53  10.975  -0.892  -5.134
  401   2HB   SER  53           HB1      SER  53   9.380  -0.709  -5.856
  402    HG   SER  53           HG       SER  53  10.693   1.556  -4.861
  403    H    VAL  54           HN       VAL  54   8.798   2.290  -3.801
  404    HA   VAL  54           HA       VAL  54   6.159   2.414  -3.024
  405    HB   VAL  54           HB       VAL  54   7.442   4.372  -3.618
  406   1HG1  VAL  54          HG13      VAL  54   8.673   3.075  -5.480
  407   2HG1  VAL  54          HG12      VAL  54   7.330   3.546  -6.520
  408   3HG1  VAL  54          HG11      VAL  54   8.342   4.781  -5.773
  409   1HG2  VAL  54          HG22      VAL  54   4.831   3.866  -4.660
  410   2HG2  VAL  54          HG21      VAL  54   5.529   5.413  -4.181
  411   3HG2  VAL  54          HG23      VAL  54   5.704   4.843  -5.841
  412    H    GLN  55           HN       GLN  55   7.344   1.534  -6.274
  413    HA   GLN  55           HA       GLN  55   4.802   1.204  -7.532
  414   1HB   GLN  55           HB2      GLN  55   7.106   1.285  -8.576
  415   2HB   GLN  55           HB1      GLN  55   7.370  -0.355  -7.983
  416   1HG   GLN  55           HG2      GLN  55   5.396  -1.127  -9.264
  417   2HG   GLN  55           HG1      GLN  55   5.164   0.510  -9.878
  418   1HE2  GLN  55          HE22      GLN  55   7.758   0.261 -12.282
  419   2HE2  GLN  55          HE21      GLN  55   6.625   1.278 -11.530
  420    H    LYS  56           HN       LYS  56   6.896  -1.112  -5.798
  421    HA   LYS  56           HA       LYS  56   5.186  -3.390  -6.068
  422   1HB   LYS  56           HB2      LYS  56   7.635  -2.580  -4.772
  423   2HB   LYS  56           HB1      LYS  56   6.665  -3.544  -3.658
  424   1HG   LYS  56           HG2      LYS  56   6.802  -5.437  -4.954
  425   2HG   LYS  56           HG1      LYS  56   6.860  -4.525  -6.463
  426   1HD   LYS  56           HD2      LYS  56   9.199  -3.758  -5.210
  427   2HD   LYS  56           HD1      LYS  56   9.064  -5.459  -4.763
  428   1HE   LYS  56           HE2      LYS  56  10.020  -5.832  -6.811
  429   2HE   LYS  56           HE1      LYS  56   8.386  -5.525  -7.436
  430   1HZ   LYS  56           HZ3      LYS  56   8.969  -3.108  -7.367
  431   2HZ   LYS  56           HZ2      LYS  56  10.580  -3.560  -7.067
  432   3HZ   LYS  56           HZ1      LYS  56   9.827  -4.005  -8.524
  433    H    LEU  57           HN       LEU  57   5.038  -0.620  -3.870
  434    HA   LEU  57           HA       LEU  57   3.373  -1.942  -1.878
  435   1HB   LEU  57           HB2      LEU  57   3.624   1.001  -2.585
  436   2HB   LEU  57           HB1      LEU  57   3.109   0.330  -1.039
  437    HG   LEU  57           HG       LEU  57   5.850  -0.162  -2.245
  438   1HD1  LEU  57          HD13      LEU  57   4.938   2.264  -1.370
  439   2HD1  LEU  57          HD12      LEU  57   5.574   1.577   0.125
  440   3HD1  LEU  57          HD11      LEU  57   6.622   1.749  -1.284
  441   1HD2  LEU  57          HD23      LEU  57   4.394  -1.238   0.011
  442   2HD2  LEU  57          HD22      LEU  57   6.004  -1.666  -0.568
  443   3HD2  LEU  57          HD21      LEU  57   5.804  -0.347   0.584
  444    H    THR  58           HN       THR  58   2.690   0.472  -4.421
  445    HA   THR  58           HA       THR  58  -0.165   0.293  -4.304
  446    HB   THR  58           HB       THR  58   1.687   0.958  -6.616
  447    HG1  THR  58           HG1      THR  58   2.280   2.452  -5.268
  448   1HG2  THR  58          HG22      THR  58  -1.197   1.618  -6.001
  449   2HG2  THR  58          HG21      THR  58  -0.248   2.526  -7.177
  450   3HG2  THR  58          HG23      THR  58  -0.551   0.808  -7.428
  451    H    LYS  59           HN       LYS  59   2.308  -1.741  -5.636
  452    HA   LYS  59           HA       LYS  59   0.568  -3.144  -7.526
  453   1HB   LYS  59           HB2      LYS  59   2.936  -2.924  -7.976
  454   2HB   LYS  59           HB1      LYS  59   3.347  -3.572  -6.387
  455   1HG   LYS  59           HG2      LYS  59   1.609  -5.357  -7.913
  456   2HG   LYS  59           HG1      LYS  59   3.145  -5.047  -8.723
  457   1HD   LYS  59           HD2      LYS  59   4.372  -6.096  -7.098
  458   2HD   LYS  59           HD1      LYS  59   3.287  -5.582  -5.805
  459   1HE   LYS  59           HE2      LYS  59   2.006  -7.468  -5.973
  460   2HE   LYS  59           HE1      LYS  59   2.090  -7.477  -7.747
  461   1HZ   LYS  59           HZ3      LYS  59   4.575  -7.979  -7.323
  462   2HZ   LYS  59           HZ2      LYS  59   4.047  -8.497  -5.793
  463   3HZ   LYS  59           HZ1      LYS  59   3.450  -9.242  -7.199
  464    H    ALA  60           HN       ALA  60   1.630  -3.454  -4.175
  465    HA   ALA  60           HA       ALA  60   0.807  -6.207  -3.814
  466   1HB   ALA  60           HB2      ALA  60   2.218  -4.335  -2.409
  467   2HB   ALA  60           HB1      ALA  60   0.685  -4.308  -1.536
  468   3HB   ALA  60           HB3      ALA  60   1.588  -5.816  -1.687
  469    H    THR  61           HN       THR  61  -0.803  -3.059  -3.366
  470    HA   THR  61           HA       THR  61  -3.291  -4.261  -2.381
  471    HB   THR  61           HB       THR  61  -2.467  -1.928  -1.931
  472    HG1  THR  61           HG1      THR  61  -4.795  -2.702  -2.117
  473   1HG2  THR  61          HG21      THR  61  -1.581  -1.513  -4.216
  474   2HG2  THR  61          HG23      THR  61  -3.236  -1.472  -4.825
  475   3HG2  THR  61          HG22      THR  61  -2.683  -0.241  -3.689
  476    H    ALA  62           HN       ALA  62  -1.998  -3.008  -5.430
  477    HA   ALA  62           HA       ALA  62  -4.309  -3.336  -7.047
  478   1HB   ALA  62           HB1      ALA  62  -2.130  -2.183  -7.614
  479   2HB   ALA  62           HB3      ALA  62  -1.391  -3.776  -7.779
  480   3HB   ALA  62           HB2      ALA  62  -2.684  -3.287  -8.873
  481    H    ASP  63           HN       ASP  63  -1.997  -5.581  -5.693
  482    HA   ASP  63           HA       ASP  63  -2.956  -7.830  -7.356
  483   1HB   ASP  63           HB2      ASP  63  -0.542  -7.310  -6.552
  484   2HB   ASP  63           HB1      ASP  63  -1.081  -7.922  -4.988
  485    H    ALA  64           HN       ALA  64  -3.538  -6.389  -4.230
  486    HA   ALA  64           HA       ALA  64  -4.655  -8.751  -2.956
  487   1HB   ALA  64           HB1      ALA  64  -4.524  -5.788  -2.508
  488   2HB   ALA  64           HB3      ALA  64  -5.707  -6.714  -1.585
  489   3HB   ALA  64           HB2      ALA  64  -3.990  -7.096  -1.453
  490    H    GLY  65           HN       GLY  65  -5.709  -6.486  -5.320
  491   1HA   GLY  65           HA2      GLY  65  -7.742  -7.141  -6.613
  492   2HA   GLY  65           HA1      GLY  65  -8.489  -7.532  -5.066
  493    H    TYR  66           HN       TYR  66  -6.450  -4.747  -5.315
  494    HA   TYR  66           HA       TYR  66  -8.837  -2.962  -5.503
  495   1HB   TYR  66           HB2      TYR  66  -6.631  -2.726  -3.435
  496   2HB   TYR  66           HB1      TYR  66  -8.153  -1.837  -3.489
  497    HD1  TYR  66           HD1      TYR  66 -10.241  -3.623  -3.897
  498    HD2  TYR  66           HD2      TYR  66  -6.598  -4.341  -1.730
  499    HE1  TYR  66           HE1      TYR  66 -11.368  -5.406  -2.586
  500    HE2  TYR  66           HE2      TYR  66  -7.722  -6.123  -0.435
  501    HH   TYR  66           HH       TYR  66 -11.012  -7.164  -1.195
  502    HA   PRO  67           HA       PRO  67  -5.492  -1.657  -8.405
  503   1HB   PRO  67           HB2      PRO  67  -7.630  -0.110  -9.615
  504   2HB   PRO  67           HB1      PRO  67  -6.732  -1.470 -10.296
  505   1HG   PRO  67           HG2      PRO  67  -9.433  -1.467  -9.375
  506   2HG   PRO  67           HG1      PRO  67  -8.501  -2.845  -9.968
  507   1HD   PRO  67           HD2      PRO  67  -9.350  -2.322  -7.261
  508   2HD   PRO  67           HD1      PRO  67  -8.389  -3.699  -7.855
  509    H    SER  68           HN       SER  68  -4.467  -0.320  -6.829
  510    HA   SER  68           HA       SER  68  -5.757   2.324  -6.262
  511   1HB   SER  68           HB2      SER  68  -3.320   1.377  -4.843
  512   2HB   SER  68           HB1      SER  68  -4.752   2.176  -4.200
  513    HG   SER  68           HG       SER  68  -4.621  -0.041  -3.599
  514    H    SER  69           HN       SER  69  -3.484   3.716  -5.526
  515    HA   SER  69           HA       SER  69  -1.600   3.680  -7.814
  516   1HB   SER  69           HB2      SER  69  -3.842   5.533  -7.365
  517   2HB   SER  69           HB1      SER  69  -2.300   6.352  -7.596
  518    HG   SER  69           HG       SER  69  -2.257   5.693  -9.605
  519    H    VAL  70           HN       VAL  70  -0.189   5.939  -7.282
  520    HA   VAL  70           HA       VAL  70   0.311   5.920  -4.347
  521    HB   VAL  70           HB       VAL  70   1.641   4.309  -5.815
  522   1HG1  VAL  70          HG11      VAL  70   1.985   6.330  -7.494
  523   2HG1  VAL  70          HG13      VAL  70   3.377   6.664  -6.462
  524   3HG1  VAL  70          HG12      VAL  70   3.244   5.112  -7.290
  525   1HG2  VAL  70          HG21      VAL  70   2.344   5.878  -3.564
  526   2HG2  VAL  70          HG23      VAL  70   3.059   4.342  -4.051
  527   3HG2  VAL  70          HG22      VAL  70   3.763   5.860  -4.607
  528    H    LYS  71           HN       LYS  71   1.381   7.795  -3.532
  529    HA   LYS  71           HA       LYS  71   2.021   9.983  -5.418
  530   1HB   LYS  71           HB2      LYS  71   0.326  11.374  -3.832
  531   2HB   LYS  71           HB1      LYS  71  -0.194  10.613  -5.334
  532   1HG   LYS  71           HG2      LYS  71  -1.299   8.902  -4.248
  533   2HG   LYS  71           HG1      LYS  71  -0.213   8.942  -2.859
  534   1HD   LYS  71           HD2      LYS  71  -1.925  10.007  -1.821
  535   2HD   LYS  71           HD1      LYS  71  -1.364  11.420  -2.716
  536   1HE   LYS  71           HE2      LYS  71  -2.919  10.304  -4.625
  537   2HE   LYS  71           HE1      LYS  71  -3.773   9.728  -3.181
  538   1HZ   LYS  71           HZ3      LYS  71  -3.140  12.275  -2.531
  539   2HZ   LYS  71           HZ2      LYS  71  -3.488  12.416  -4.188
  540   3HZ   LYS  71           HZ1      LYS  71  -4.647  11.776  -3.125
  541    H    GLN  72           HN       GLN  72   3.570   8.533  -3.553
  542    HA   GLN  72           HA       GLN  72   4.854   8.781  -1.532
  543   1HB   GLN  72           HB2      GLN  72   5.185  11.326  -3.149
  544   2HB   GLN  72           HB1      GLN  72   6.342  10.729  -1.958
  545   1HG   GLN  72           HG2      GLN  72   6.719   8.710  -3.251
  546   2HG   GLN  72           HG1      GLN  72   5.443   9.151  -4.386
  547   1HE2  GLN  72          HE22      GLN  72   8.226  10.389  -6.280
  548   2HE2  GLN  72          HE21      GLN  72   7.201   9.050  -6.083
   
  No H/Q in entry =         548
  Start of MODEL   15
    1   1H    ALA   1           HT1      ALA   1  18.323   2.553   1.734
    2   2H    ALA   1           HT3      ALA   1  19.147   2.278   0.277
    3   3H    ALA   1           HT2      ALA   1  17.950   3.482   0.361
    4    HA   ALA   1           HA       ALA   1  16.806   1.767  -0.673
    5   1HB   ALA   1           HB1      ALA   1  18.692   0.194   1.042
    6   2HB   ALA   1           HB3      ALA   1  17.227  -0.595   0.459
    7   3HB   ALA   1           HB2      ALA   1  18.392   0.063  -0.691
    8    H    THR   2           HN       THR   2  15.756   3.439   1.170
    9    HA   THR   2           HA       THR   2  13.853   1.770   2.645
   10    HB   THR   2           HB       THR   2  14.530   3.793   4.413
   11    HG1  THR   2           HG1      THR   2  16.427   4.352   3.622
   12   1HG2  THR   2          HG21      THR   2  14.087   1.247   4.681
   13   2HG2  THR   2          HG23      THR   2  15.836   1.092   4.524
   14   3HG2  THR   2          HG22      THR   2  15.150   2.043   5.842
   15    H    GLN   3           HN       GLN   3  12.405   2.681   1.029
   16    HA   GLN   3           HA       GLN   3  12.062   5.655   1.172
   17   1HB   GLN   3           HB2      GLN   3  10.864   3.833  -0.904
   18   2HB   GLN   3           HB1      GLN   3  11.309   5.530  -1.053
   19   1HG   GLN   3           HG2      GLN   3  13.694   4.210  -0.372
   20   2HG   GLN   3           HG1      GLN   3  12.915   3.167  -1.561
   21   1HE2  GLN   3          HE22      GLN   3  14.827   6.327  -2.939
   22   2HE2  GLN   3          HE21      GLN   3  15.150   5.533  -1.474
   23    H    THR   4           HN       THR   4   9.909   6.517   1.228
   24    HA   THR   4           HA       THR   4   7.771   4.633   2.148
   25    HB   THR   4           HB       THR   4   8.437   7.343   3.348
   26    HG1  THR   4           HG1      THR   4   9.281   4.737   3.953
   27   1HG2  THR   4          HG22      THR   4   6.510   5.122   4.005
   28   2HG2  THR   4          HG21      THR   4   7.050   6.251   5.248
   29   3HG2  THR   4          HG23      THR   4   6.186   6.847   3.831
   30    H    VAL   5           HN       VAL   5   5.783   5.127   1.223
   31    HA   VAL   5           HA       VAL   5   5.376   7.804  -0.021
   32    HB   VAL   5           HB       VAL   5   4.725   6.640  -2.136
   33   1HG1  VAL   5          HG11      VAL   5   7.085   7.524  -1.568
   34   2HG1  VAL   5          HG13      VAL   5   7.524   5.830  -1.349
   35   3HG1  VAL   5          HG12      VAL   5   6.945   6.396  -2.915
   36   1HG2  VAL   5          HG21      VAL   5   4.444   4.419  -0.699
   37   2HG2  VAL   5          HG23      VAL   5   4.907   4.341  -2.399
   38   3HG2  VAL   5          HG22      VAL   5   6.135   4.191  -1.143
   39    H    THR   6           HN       THR   6   3.081   7.826  -0.978
   40    HA   THR   6           HA       THR   6   1.238   6.474   0.933
   41    HB   THR   6           HB       THR   6   1.446   9.019   0.863
   42    HG1  THR   6           HG1      THR   6  -0.762   9.272   1.012
   43   1HG2  THR   6          HG23      THR   6   1.394   8.639  -1.857
   44   2HG2  THR   6          HG22      THR   6  -0.265   9.142  -1.529
   45   3HG2  THR   6          HG21      THR   6   1.082  10.177  -1.054
   46    H    LEU   7           HN       LEU   7  -0.889   5.830  -0.091
   47    HA   LEU   7           HA       LEU   7  -0.509   5.254  -3.002
   48   1HB   LEU   7           HB2      LEU   7  -0.712   3.481  -0.705
   49   2HB   LEU   7           HB1      LEU   7  -1.962   3.129  -1.900
   50    HG   LEU   7           HG       LEU   7  -0.341   2.867  -3.643
   51   1HD1  LEU   7          HD11      LEU   7   1.466   4.181  -1.663
   52   2HD1  LEU   7          HD13      LEU   7   2.159   3.099  -2.870
   53   3HD1  LEU   7          HD12      LEU   7   1.247   4.515  -3.378
   54   1HD2  LEU   7          HD23      LEU   7  -0.502   1.132  -1.573
   55   2HD2  LEU   7          HD22      LEU   7   0.552   0.857  -2.961
   56   3HD2  LEU   7          HD21      LEU   7   1.211   1.543  -1.475
   57    H    ALA   8           HN       ALA   8  -2.267   5.520  -4.247
   58    HA   ALA   8           HA       ALA   8  -4.806   6.411  -2.906
   59   1HB   ALA   8           HB2      ALA   8  -3.138   7.369  -5.119
   60   2HB   ALA   8           HB1      ALA   8  -4.839   7.236  -5.566
   61   3HB   ALA   8           HB3      ALA   8  -4.363   8.234  -4.191
   62    H    VAL   9           HN       VAL   9  -5.791   4.309  -2.800
   63    HA   VAL   9           HA       VAL   9  -6.254   3.004  -5.462
   64    HB   VAL   9           HB       VAL   9  -5.053   1.498  -4.121
   65   1HG1  VAL   9          HG11      VAL   9  -6.735   2.511  -1.818
   66   2HG1  VAL   9          HG13      VAL   9  -5.637   1.136  -1.692
   67   3HG1  VAL   9          HG12      VAL   9  -5.003   2.741  -2.059
   68   1HG2  VAL   9          HG21      VAL   9  -7.255   0.561  -4.945
   69   2HG2  VAL   9          HG23      VAL   9  -6.589  -0.270  -3.540
   70   3HG2  VAL   9          HG22      VAL   9  -7.914   0.876  -3.340
   71    HA   PRO  10           HA       PRO  10 -10.439   4.403  -4.383
   72   1HB   PRO  10           HB2      PRO  10 -11.176   4.321  -7.097
   73   2HB   PRO  10           HB1      PRO  10 -10.626   5.745  -6.207
   74   1HG   PRO  10           HG2      PRO  10  -9.240   4.268  -8.286
   75   2HG   PRO  10           HG1      PRO  10  -8.776   5.790  -7.518
   76   1HD   PRO  10           HD2      PRO  10  -7.646   3.156  -7.090
   77   2HD   PRO  10           HD1      PRO  10  -7.145   4.700  -6.355
   78    H    GLY  11           HN       GLY  11  -9.183   1.483  -5.323
   79   1HA   GLY  11           HA2      GLY  11 -11.661   0.187  -6.210
   80   2HA   GLY  11           HA1      GLY  11 -10.127  -0.621  -5.886
   81    H    MET  12           HN       MET  12 -10.913   1.429  -3.353
   82    HA   MET  12           HA       MET  12 -12.396  -0.682  -1.853
   83   1HB   MET  12           HB2      MET  12 -10.746  -0.290   0.010
   84   2HB   MET  12           HB1      MET  12 -10.015  -0.998  -1.433
   85   1HG   MET  12           HG2      MET  12  -9.541   1.445  -2.140
   86   2HG   MET  12           HG1      MET  12  -9.858   1.849  -0.455
   87   1HE   MET  12           HE3      MET  12  -8.781   1.766   1.140
   88   2HE   MET  12           HE2      MET  12  -7.433   0.758   1.653
   89   3HE   MET  12           HE1      MET  12  -7.123   2.266   0.793
   90    H    THR  13           HN       THR  13 -13.507   0.210   0.037
   91    HA   THR  13           HA       THR  13 -13.443   2.960   0.815
   92    HB   THR  13           HB       THR  13 -14.215   3.378  -1.441
   93    HG1  THR  13           HG1      THR  13 -16.033   4.463  -0.942
   94   1HG2  THR  13          HG23      THR  13 -15.062   0.935  -1.636
   95   2HG2  THR  13          HG22      THR  13 -16.574   1.563  -0.980
   96   3HG2  THR  13          HG21      THR  13 -15.946   2.189  -2.505
   97    H    CYS  14           HN       CYS  14 -13.733   0.352   2.051
   98    HA   CYS  14           HA       CYS  14 -15.954   0.910   3.833
   99   1HB   CYS  14           HB2      CYS  14 -17.604  -0.324   2.864
  100   2HB   CYS  14           HB1      CYS  14 -16.618  -0.261   1.411
  101    H    ALA  15           HN       ALA  15 -16.324  -1.319   5.202
  102    HA   ALA  15           HA       ALA  15 -13.667  -2.004   6.227
  103   1HB   ALA  15           HB3      ALA  15 -15.875  -1.628   7.499
  104   2HB   ALA  15           HB2      ALA  15 -16.335  -3.238   6.944
  105   3HB   ALA  15           HB1      ALA  15 -14.922  -3.032   7.980
  106    H    ALA  16           HN       ALA  16 -12.985  -3.041   4.064
  107    HA   ALA  16           HA       ALA  16 -13.091  -5.903   4.248
  108   1HB   ALA  16           HB3      ALA  16 -15.428  -4.772   3.321
  109   2HB   ALA  16           HB2      ALA  16 -14.586  -5.172   1.823
  110   3HB   ALA  16           HB1      ALA  16 -14.921  -6.433   3.010
  111    H    CYS  17           HN       CYS  17 -13.027  -3.355   1.692
  112    HA   CYS  17           HA       CYS  17 -10.859  -4.827   0.313
  113   1HB   CYS  17           HB2      CYS  17 -12.005  -2.146  -0.480
  114   2HB   CYS  17           HB1      CYS  17 -11.341  -3.397  -1.506
  115    HA   PRO  18           HA       PRO  18  -8.701  -0.592   1.348
  116   1HB   PRO  18           HB2      PRO  18 -10.015   0.021   3.895
  117   2HB   PRO  18           HB1      PRO  18  -9.666   1.098   2.545
  118   1HG   PRO  18           HG2      PRO  18 -12.174   0.264   3.205
  119   2HG   PRO  18           HG1      PRO  18 -11.703   0.708   1.563
  120   1HD   PRO  18           HD2      PRO  18 -12.221  -1.999   2.687
  121   2HD   PRO  18           HD1      PRO  18 -12.315  -1.433   1.005
  122    H    ILE  19           HN       ILE  19  -9.869  -1.874   4.470
  123    HA   ILE  19           HA       ILE  19  -7.467  -2.124   5.838
  124    HB   ILE  19           HB       ILE  19  -9.848  -3.982   5.646
  125   1HG1  ILE  19          HG12      ILE  19  -9.071  -1.761   7.564
  126   2HG1  ILE  19          HG11      ILE  19 -10.405  -1.742   6.409
  127   1HG2  ILE  19          HG21      ILE  19  -7.803  -5.104   6.577
  128   2HG2  ILE  19          HG23      ILE  19  -7.760  -3.872   7.838
  129   3HG2  ILE  19          HG22      ILE  19  -9.130  -4.979   7.732
  130   1HD1  ILE  19          HD11      ILE  19 -11.230  -3.868   7.647
  131   2HD1  ILE  19          HD13      ILE  19 -10.134  -3.364   8.934
  132   3HD1  ILE  19          HD12      ILE  19 -11.458  -2.309   8.438
  133    H    THR  20           HN       THR  20  -8.585  -4.117   3.136
  134    HA   THR  20           HA       THR  20  -6.713  -6.291   3.491
  135    HB   THR  20           HB       THR  20  -8.171  -5.226   1.034
  136    HG1  THR  20           HG1      THR  20  -9.588  -7.020   1.672
  137   1HG2  THR  20          HG22      THR  20  -6.497  -7.626   1.594
  138   2HG2  THR  20          HG21      THR  20  -7.962  -7.878   0.645
  139   3HG2  THR  20          HG23      THR  20  -6.734  -6.744   0.084
  140    H    VAL  21           HN       VAL  21  -6.726  -3.263   1.712
  141    HA   VAL  21           HA       VAL  21  -4.329  -3.570   0.249
  142    HB   VAL  21           HB       VAL  21  -5.870  -1.241   1.411
  143   1HG1  VAL  21          HG12      VAL  21  -3.131  -1.251   0.409
  144   2HG1  VAL  21          HG11      VAL  21  -4.174  -0.198  -0.546
  145   3HG1  VAL  21          HG13      VAL  21  -4.029   0.048   1.194
  146   1HG2  VAL  21          HG21      VAL  21  -5.720  -2.696  -1.166
  147   2HG2  VAL  21          HG23      VAL  21  -7.080  -1.852  -0.427
  148   3HG2  VAL  21          HG22      VAL  21  -5.842  -0.941  -1.291
  149    H    LYS  22           HN       LYS  22  -5.011  -2.879   3.599
  150    HA   LYS  22           HA       LYS  22  -2.413  -1.840   4.281
  151   1HB   LYS  22           HB2      LYS  22  -4.336  -1.381   5.681
  152   2HB   LYS  22           HB1      LYS  22  -4.696  -3.095   5.831
  153   1HG   LYS  22           HG2      LYS  22  -3.528  -2.990   7.767
  154   2HG   LYS  22           HG1      LYS  22  -2.099  -2.985   6.736
  155   1HD   LYS  22           HD2      LYS  22  -2.001  -0.576   6.758
  156   2HD   LYS  22           HD1      LYS  22  -3.561  -0.470   7.574
  157   1HE   LYS  22           HE2      LYS  22  -1.075  -1.767   8.753
  158   2HE   LYS  22           HE1      LYS  22  -1.695  -0.162   9.186
  159   1HZ   LYS  22           HZ3      LYS  22  -3.900  -1.739   9.302
  160   2HZ   LYS  22           HZ2      LYS  22  -2.692  -2.760   9.922
  161   3HZ   LYS  22           HZ1      LYS  22  -2.981  -1.248  10.640
  162    H    LYS  23           HN       LYS  23  -3.992  -5.022   4.470
  163    HA   LYS  23           HA       LYS  23  -1.747  -6.360   5.626
  164   1HB   LYS  23           HB2      LYS  23  -3.961  -7.318   5.710
  165   2HB   LYS  23           HB1      LYS  23  -4.089  -7.279   3.951
  166   1HG   LYS  23           HG2      LYS  23  -3.523  -9.552   4.949
  167   2HG   LYS  23           HG1      LYS  23  -2.417  -8.978   3.701
  168   1HD   LYS  23           HD2      LYS  23  -0.682  -8.886   5.146
  169   2HD   LYS  23           HD1      LYS  23  -1.649  -8.059   6.368
  170   1HE   LYS  23           HE2      LYS  23  -2.527 -10.813   6.100
  171   2HE   LYS  23           HE1      LYS  23  -0.790 -10.738   6.463
  172   1HZ   LYS  23           HZ3      LYS  23  -2.832  -9.114   7.878
  173   2HZ   LYS  23           HZ2      LYS  23  -2.261 -10.605   8.460
  174   3HZ   LYS  23           HZ1      LYS  23  -1.196  -9.293   8.287
  175    H    ALA  24           HN       ALA  24  -2.555  -5.440   2.389
  176    HA   ALA  24           HA       ALA  24  -0.817  -7.183   0.950
  177   1HB   ALA  24           HB1      ALA  24  -2.734  -5.277   0.420
  178   2HB   ALA  24           HB3      ALA  24  -1.258  -4.494  -0.146
  179   3HB   ALA  24           HB2      ALA  24  -1.731  -6.061  -0.801
  180    H    LEU  25           HN       LEU  25  -0.362  -3.800   2.052
  181    HA   LEU  25           HA       LEU  25   2.383  -3.639   1.114
  182   1HB   LEU  25           HB2      LEU  25   1.048  -2.025   3.299
  183   2HB   LEU  25           HB1      LEU  25   2.327  -1.504   2.206
  184    HG   LEU  25           HG       LEU  25  -0.006  -2.442   0.742
  185   1HD1  LEU  25          HD12      LEU  25  -0.988  -1.550   2.946
  186   2HD1  LEU  25          HD11      LEU  25  -0.412   0.033   2.423
  187   3HD1  LEU  25          HD13      LEU  25  -1.603  -0.836   1.455
  188   1HD2  LEU  25          HD22      LEU  25   1.857  -1.054  -0.159
  189   2HD2  LEU  25          HD21      LEU  25   0.291  -0.270  -0.369
  190   3HD2  LEU  25          HD23      LEU  25   1.376   0.257   0.918
  191    H    SER  26           HN       SER  26   0.876  -4.249   4.270
  192    HA   SER  26           HA       SER  26   3.246  -4.310   5.845
  193   1HB   SER  26           HB2      SER  26   0.575  -4.431   6.282
  194   2HB   SER  26           HB1      SER  26   0.979  -6.135   6.477
  195    HG   SER  26           HG       SER  26   2.632  -4.251   7.700
  196    H    LYS  27           HN       LYS  27   1.819  -6.594   3.625
  197    HA   LYS  27           HA       LYS  27   3.937  -8.526   4.415
  198   1HB   LYS  27           HB2      LYS  27   2.341 -10.132   4.586
  199   2HB   LYS  27           HB1      LYS  27   1.181  -8.811   4.553
  200   1HG   LYS  27           HG2      LYS  27   2.184 -10.332   2.124
  201   2HG   LYS  27           HG1      LYS  27   0.608 -10.538   2.884
  202   1HD   LYS  27           HD2      LYS  27  -0.232  -8.707   1.868
  203   2HD   LYS  27           HD1      LYS  27   1.183  -7.741   2.283
  204   1HE   LYS  27           HE2      LYS  27   1.143  -7.859  -0.121
  205   2HE   LYS  27           HE1      LYS  27   2.399  -9.004   0.390
  206   1HZ   LYS  27           HZ1      LYS  27   0.677 -10.750   0.414
  207   2HZ   LYS  27           HZ3      LYS  27  -0.435  -9.645  -0.235
  208   3HZ   LYS  27           HZ2      LYS  27   0.929 -10.106  -1.138
  209    H    VAL  28           HN       VAL  28   3.308  -6.332   2.121
  210    HA   VAL  28           HA       VAL  28   3.325  -7.574  -0.389
  211    HB   VAL  28           HB       VAL  28   3.187  -5.147   0.041
  212   1HG1  VAL  28          HG13      VAL  28   5.071  -5.288   1.808
  213   2HG1  VAL  28          HG12      VAL  28   6.177  -5.156   0.441
  214   3HG1  VAL  28          HG11      VAL  28   5.028  -3.860   0.774
  215   1HG2  VAL  28          HG21      VAL  28   5.487  -6.018  -1.735
  216   2HG2  VAL  28          HG23      VAL  28   3.798  -5.843  -2.209
  217   3HG2  VAL  28          HG22      VAL  28   4.747  -4.418  -1.786
  218    H    GLU  29           HN       GLU  29   6.190  -6.822   1.643
  219    HA   GLU  29           HA       GLU  29   7.650  -9.154   1.153
  220   1HB   GLU  29           HB2      GLU  29   7.466  -7.327  -1.136
  221   2HB   GLU  29           HB1      GLU  29   9.131  -7.735  -0.716
  222   1HG   GLU  29           HG2      GLU  29   7.605 -10.124  -0.521
  223   2HG   GLU  29           HG1      GLU  29   7.183  -9.358  -2.052
  224    H    GLY  30           HN       GLY  30   9.085  -6.064   0.244
  225   1HA   GLY  30           HA2      GLY  30  10.917  -6.247   2.530
  226   2HA   GLY  30           HA1      GLY  30  11.005  -5.068   1.226
  227    H    VAL  31           HN       VAL  31   7.852  -5.013   2.247
  228    HA   VAL  31           HA       VAL  31   7.799  -2.422   3.259
  229    HB   VAL  31           HB       VAL  31   5.846  -3.898   2.782
  230   1HG1  VAL  31          HG13      VAL  31   7.128  -5.647   4.511
  231   2HG1  VAL  31          HG12      VAL  31   5.783  -5.042   5.479
  232   3HG1  VAL  31          HG11      VAL  31   5.473  -5.818   3.926
  233   1HG2  VAL  31          HG21      VAL  31   5.972  -1.814   4.461
  234   2HG2  VAL  31          HG23      VAL  31   4.476  -2.714   4.217
  235   3HG2  VAL  31          HG22      VAL  31   5.487  -3.049   5.623
  236    H    SER  32           HN       SER  32   8.639  -1.465   4.995
  237    HA   SER  32           HA       SER  32   9.617  -3.160   7.254
  238   1HB   SER  32           HB2      SER  32  10.750  -1.089   5.632
  239   2HB   SER  32           HB1      SER  32  10.645  -0.491   7.286
  240    HG   SER  32           HG       SER  32  12.469  -2.050   6.348
  241    H    LYS  33           HN       LYS  33   7.344  -0.810   6.295
  242    HA   LYS  33           HA       LYS  33   6.232  -0.678   9.009
  243   1HB   LYS  33           HB2      LYS  33   7.714   1.023   9.493
  244   2HB   LYS  33           HB1      LYS  33   7.912   1.472   7.805
  245   1HG   LYS  33           HG2      LYS  33   5.938   2.763   7.790
  246   2HG   LYS  33           HG1      LYS  33   5.301   1.965   9.229
  247   1HD   LYS  33           HD2      LYS  33   7.375   2.963  10.434
  248   2HD   LYS  33           HD1      LYS  33   7.482   4.035   9.038
  249   1HE   LYS  33           HE2      LYS  33   4.755   3.818  10.138
  250   2HE   LYS  33           HE1      LYS  33   5.930   4.542  11.255
  251   1HZ   LYS  33           HZ3      LYS  33   6.043   5.326   8.437
  252   2HZ   LYS  33           HZ2      LYS  33   4.787   5.972   9.381
  253   3HZ   LYS  33           HZ1      LYS  33   6.406   6.232   9.824
  254    H    VAL  34           HN       VAL  34   4.121   0.523   8.970
  255    HA   VAL  34           HA       VAL  34   3.081   1.170   6.266
  256    HB   VAL  34           HB       VAL  34   2.838  -1.265   6.572
  257   1HG1  VAL  34          HG13      VAL  34   2.776  -1.079   9.110
  258   2HG1  VAL  34          HG12      VAL  34   1.083  -0.610   8.951
  259   3HG1  VAL  34          HG11      VAL  34   1.612  -2.202   8.406
  260   1HG2  VAL  34          HG21      VAL  34   0.836   0.531   5.864
  261   2HG2  VAL  34          HG23      VAL  34   0.806  -1.208   5.575
  262   3HG2  VAL  34          HG22      VAL  34   0.036  -0.540   7.015
  263    H    ASP  35           HN       ASP  35   1.082   2.355   6.350
  264    HA   ASP  35           HA       ASP  35  -0.271   2.957   8.847
  265   1HB   ASP  35           HB2      ASP  35   1.808   4.224   9.187
  266   2HB   ASP  35           HB1      ASP  35   1.635   4.974   7.600
  267    H    VAL  36           HN       VAL  36  -1.924   2.264   7.280
  268    HA   VAL  36           HA       VAL  36  -2.464   4.228   5.096
  269    HB   VAL  36           HB       VAL  36  -3.620   2.374   4.068
  270   1HG1  VAL  36          HG12      VAL  36  -1.021   2.384   4.282
  271   2HG1  VAL  36          HG11      VAL  36  -1.266   1.058   5.417
  272   3HG1  VAL  36          HG13      VAL  36  -1.808   0.900   3.747
  273   1HG2  VAL  36          HG22      VAL  36  -3.658   1.402   6.866
  274   2HG2  VAL  36          HG21      VAL  36  -4.847   1.182   5.582
  275   3HG2  VAL  36          HG23      VAL  36  -3.405   0.170   5.633
  276    H    GLY  37           HN       GLY  37  -5.096   3.640   4.666
  277   1HA   GLY  37           HA2      GLY  37  -6.603   4.070   7.162
  278   2HA   GLY  37           HA1      GLY  37  -6.685   5.356   5.949
  279    H    PHE  38           HN       PHE  38  -7.594   2.083   6.692
  280    HA   PHE  38           HA       PHE  38  -8.501   1.196   4.196
  281   1HB   PHE  38           HB2      PHE  38 -10.252  -0.028   5.751
  282   2HB   PHE  38           HB1      PHE  38  -8.545  -0.426   5.867
  283    HD1  PHE  38           HD2      PHE  38 -11.390   1.245   7.507
  284    HD2  PHE  38           HD1      PHE  38  -7.217   0.268   7.821
  285    HE1  PHE  38           HE2      PHE  38 -11.438   1.810   9.920
  286    HE2  PHE  38           HE1      PHE  38  -7.271   0.823  10.237
  287    HZ   PHE  38           HZ       PHE  38  -9.380   1.597  11.285
  288    H    GLU  39           HN       GLU  39 -10.416   2.869   6.682
  289    HA   GLU  39           HA       GLU  39 -12.731   3.257   5.015
  290   1HB   GLU  39           HB2      GLU  39 -12.612   3.278   7.523
  291   2HB   GLU  39           HB1      GLU  39 -11.771   4.825   7.428
  292   1HG   GLU  39           HG2      GLU  39 -13.709   5.782   6.207
  293   2HG   GLU  39           HG1      GLU  39 -14.555   4.244   6.374
  294    H    LYS  40           HN       LYS  40  -9.720   5.006   5.409
  295    HA   LYS  40           HA       LYS  40 -10.753   7.408   4.008
  296   1HB   LYS  40           HB2      LYS  40  -8.594   6.666   5.799
  297   2HB   LYS  40           HB1      LYS  40  -7.964   7.539   4.401
  298   1HG   LYS  40           HG2      LYS  40 -10.429   8.714   5.466
  299   2HG   LYS  40           HG1      LYS  40  -9.105   8.710   6.633
  300   1HD   LYS  40           HD2      LYS  40  -8.279  10.519   5.571
  301   2HD   LYS  40           HD1      LYS  40  -7.923   9.465   4.202
  302   1HE   LYS  40           HE2      LYS  40  -9.331  10.893   3.078
  303   2HE   LYS  40           HE1      LYS  40 -10.604   9.915   3.835
  304   1HZ   LYS  40           HZ1      LYS  40  -9.955  11.536   5.843
  305   2HZ   LYS  40           HZ3      LYS  40  -9.655  12.572   4.535
  306   3HZ   LYS  40           HZ2      LYS  40 -11.195  11.883   4.735
  307    H    ARG  41           HN       ARG  41  -9.683   4.412   3.078
  308    HA   ARG  41           HA       ARG  41  -8.680   3.557   1.123
  309   1HB   ARG  41           HB2      ARG  41 -10.814   4.676   0.424
  310   2HB   ARG  41           HB1      ARG  41  -9.862   6.097   0.013
  311   1HG   ARG  41           HG2      ARG  41  -8.897   3.520  -1.103
  312   2HG   ARG  41           HG1      ARG  41 -10.422   4.091  -1.753
  313   1HD   ARG  41           HD2      ARG  41  -7.693   5.358  -1.943
  314   2HD   ARG  41           HD1      ARG  41  -8.878   5.091  -3.223
  315    HE   ARG  41           HE       ARG  41  -8.671   7.438  -1.572
  316   1HH1  ARG  41          HH21      ARG  41 -11.040   5.280  -2.867
  317   2HH1  ARG  41          HH22      ARG  41 -12.355   6.365  -2.589
  318   1HH2  ARG  41          HH11      ARG  41 -10.372   8.856  -1.232
  319   2HH2  ARG  41          HH12      ARG  41 -11.980   8.385  -1.669
  320    H    GLU  42           HN       GLU  42  -6.559   4.262   2.241
  321    HA   GLU  42           HA       GLU  42  -4.892   5.554   0.216
  322   1HB   GLU  42           HB2      GLU  42  -6.249   7.250   1.903
  323   2HB   GLU  42           HB1      GLU  42  -4.724   7.046   2.765
  324   1HG   GLU  42           HG2      GLU  42  -3.490   8.064   1.110
  325   2HG   GLU  42           HG1      GLU  42  -4.573   7.525  -0.174
  326    H    ALA  43           HN       ALA  43  -3.045   4.278   0.367
  327    HA   ALA  43           HA       ALA  43  -2.334   3.215   3.061
  328   1HB   ALA  43           HB3      ALA  43  -2.224   2.290   0.253
  329   2HB   ALA  43           HB2      ALA  43  -0.892   1.768   1.284
  330   3HB   ALA  43           HB1      ALA  43  -2.554   1.374   1.723
  331    H    VAL  44           HN       VAL  44  -0.649   4.205   4.083
  332    HA   VAL  44           HA       VAL  44   1.512   5.417   2.398
  333    HB   VAL  44           HB       VAL  44   0.058   6.166   4.862
  334   1HG1  VAL  44          HG11      VAL  44   3.065   6.447   4.651
  335   2HG1  VAL  44          HG13      VAL  44   2.086   7.485   5.688
  336   3HG1  VAL  44          HG12      VAL  44   2.140   5.746   5.978
  337   1HG2  VAL  44          HG21      VAL  44   0.083   7.370   2.622
  338   2HG2  VAL  44          HG23      VAL  44   0.407   8.379   4.031
  339   3HG2  VAL  44          HG22      VAL  44   1.737   7.852   3.000
  340    H    VAL  45           HN       VAL  45   3.113   3.907   2.233
  341    HA   VAL  45           HA       VAL  45   3.786   2.419   4.767
  342    HB   VAL  45           HB       VAL  45   3.708   1.428   1.908
  343   1HG1  VAL  45          HG12      VAL  45   5.212   0.469   4.046
  344   2HG1  VAL  45          HG11      VAL  45   3.768  -0.541   4.065
  345   3HG1  VAL  45          HG13      VAL  45   4.758  -0.445   2.609
  346   1HG2  VAL  45          HG22      VAL  45   1.764   1.491   4.147
  347   2HG2  VAL  45          HG21      VAL  45   1.476   1.397   2.409
  348   3HG2  VAL  45          HG23      VAL  45   1.909  -0.055   3.312
  349    H    THR  46           HN       THR  46   5.904   1.854   5.104
  350    HA   THR  46           HA       THR  46   7.980   3.249   3.449
  351    HB   THR  46           HB       THR  46   7.637   2.514   6.355
  352    HG1  THR  46           HG1      THR  46   8.279   4.673   6.586
  353   1HG2  THR  46          HG23      THR  46  10.267   3.088   4.961
  354   2HG2  THR  46          HG22      THR  46  10.046   3.044   6.710
  355   3HG2  THR  46          HG21      THR  46   9.813   1.580   5.754
  356    H    PHE  47           HN       PHE  47   9.980   1.909   3.136
  357    HA   PHE  47           HA       PHE  47   9.956  -0.899   3.837
  358   1HB   PHE  47           HB2      PHE  47   9.479  -1.737   1.576
  359   2HB   PHE  47           HB1      PHE  47   8.134  -0.746   2.147
  360    HD1  PHE  47           HD2      PHE  47  11.074  -0.855  -0.116
  361    HD2  PHE  47           HD1      PHE  47   7.677   1.443   1.201
  362    HE1  PHE  47           HE2      PHE  47  11.364   0.680  -2.030
  363    HE2  PHE  47           HE1      PHE  47   7.973   2.970  -0.728
  364    HZ   PHE  47           HZ       PHE  47   9.812   2.585  -2.342
  365    H    ASP  48           HN       ASP  48  11.498  -2.051   2.141
  366    HA   ASP  48           HA       ASP  48  13.901  -0.307   1.916
  367   1HB   ASP  48           HB2      ASP  48  13.667  -3.334   1.879
  368   2HB   ASP  48           HB1      ASP  48  15.140  -2.390   2.104
  369    H    ASP  49           HN       ASP  49  14.454   0.235  -0.168
  370    HA   ASP  49           HA       ASP  49  12.820  -0.741  -2.352
  371   1HB   ASP  49           HB2      ASP  49  13.964   0.915  -3.602
  372   2HB   ASP  49           HB1      ASP  49  13.941   1.551  -1.957
  373    H    THR  50           HN       THR  50  15.062  -2.490  -0.824
  374    HA   THR  50           HA       THR  50  16.630  -3.426  -3.139
  375    HB   THR  50           HB       THR  50  17.586  -4.935  -1.382
  376    HG1  THR  50           HG1      THR  50  16.390  -5.283   0.286
  377   1HG2  THR  50          HG23      THR  50  17.324  -1.987  -0.772
  378   2HG2  THR  50          HG22      THR  50  18.414  -3.051   0.117
  379   3HG2  THR  50          HG21      THR  50  18.641  -2.801  -1.614
  380    H    LYS  51           HN       LYS  51  13.937  -4.514  -1.096
  381    HA   LYS  51           HA       LYS  51  13.544  -6.829  -2.960
  382   1HB   LYS  51           HB2      LYS  51  13.200  -6.438   0.006
  383   2HB   LYS  51           HB1      LYS  51  12.294  -7.702  -0.828
  384   1HG   LYS  51           HG2      LYS  51  14.279  -8.804  -1.540
  385   2HG   LYS  51           HG1      LYS  51  15.287  -7.415  -1.132
  386   1HD   LYS  51           HD2      LYS  51  15.576  -9.077   0.602
  387   2HD   LYS  51           HD1      LYS  51  14.639  -7.744   1.277
  388   1HE   LYS  51           HE2      LYS  51  12.539  -9.035   0.781
  389   2HE   LYS  51           HE1      LYS  51  13.556 -10.404   0.290
  390   1HZ   LYS  51           HZ2      LYS  51  14.715 -10.139   2.477
  391   2HZ   LYS  51           HZ1      LYS  51  13.482  -9.066   2.937
  392   3HZ   LYS  51           HZ3      LYS  51  13.110 -10.684   2.589
  393    H    ALA  52           HN       ALA  52  12.271  -3.903  -1.817
  394    HA   ALA  52           HA       ALA  52   9.626  -4.529  -3.063
  395   1HB   ALA  52           HB2      ALA  52  10.262  -3.965  -0.309
  396   2HB   ALA  52           HB1      ALA  52   9.263  -2.662  -0.952
  397   3HB   ALA  52           HB3      ALA  52   8.688  -4.329  -1.018
  398    H    SER  53           HN       SER  53   8.428  -2.156  -3.059
  399    HA   SER  53           HA       SER  53  10.067   0.169  -3.475
  400   1HB   SER  53           HB2      SER  53  10.670  -1.544  -5.353
  401   2HB   SER  53           HB1      SER  53   9.114  -1.088  -6.041
  402    HG   SER  53           HG       SER  53  11.440   0.222  -6.128
  403    H    VAL  54           HN       VAL  54   8.733   1.994  -4.143
  404    HA   VAL  54           HA       VAL  54   6.131   2.176  -3.289
  405    HB   VAL  54           HB       VAL  54   6.015   4.066  -4.894
  406   1HG1  VAL  54          HG12      VAL  54   7.416   4.159  -2.784
  407   2HG1  VAL  54          HG11      VAL  54   8.817   3.808  -3.796
  408   3HG1  VAL  54          HG13      VAL  54   7.896   5.288  -4.051
  409   1HG2  VAL  54          HG21      VAL  54   8.286   2.542  -6.122
  410   2HG2  VAL  54          HG23      VAL  54   6.910   3.314  -6.912
  411   3HG2  VAL  54          HG22      VAL  54   8.234   4.297  -6.288
  412    H    GLN  55           HN       GLN  55   7.265   1.005  -6.444
  413    HA   GLN  55           HA       GLN  55   4.689   0.695  -7.672
  414   1HB   GLN  55           HB2      GLN  55   7.243   0.529  -8.476
  415   2HB   GLN  55           HB1      GLN  55   6.949  -1.191  -8.216
  416   1HG   GLN  55           HG2      GLN  55   5.358  -1.316  -9.893
  417   2HG   GLN  55           HG1      GLN  55   4.904   0.382  -9.732
  418   1HE2  GLN  55          HE22      GLN  55   8.564  -0.016 -11.515
  419   2HE2  GLN  55          HE21      GLN  55   8.281  -0.698  -9.987
  420    H    LYS  56           HN       LYS  56   6.776  -1.580  -5.866
  421    HA   LYS  56           HA       LYS  56   5.033  -3.834  -5.962
  422   1HB   LYS  56           HB2      LYS  56   7.467  -2.941  -4.654
  423   2HB   LYS  56           HB1      LYS  56   6.477  -3.895  -3.549
  424   1HG   LYS  56           HG2      LYS  56   6.664  -5.810  -4.808
  425   2HG   LYS  56           HG1      LYS  56   6.767  -4.924  -6.330
  426   1HD   LYS  56           HD2      LYS  56   9.068  -4.092  -5.246
  427   2HD   LYS  56           HD1      LYS  56   8.928  -5.633  -4.398
  428   1HE   LYS  56           HE2      LYS  56   8.565  -5.466  -7.397
  429   2HE   LYS  56           HE1      LYS  56  10.168  -5.680  -6.664
  430   1HZ   LYS  56           HZ1      LYS  56   7.849  -7.340  -5.872
  431   2HZ   LYS  56           HZ3      LYS  56   8.857  -7.784  -7.162
  432   3HZ   LYS  56           HZ2      LYS  56   9.500  -7.635  -5.597
  433    H    LEU  57           HN       LEU  57   4.996  -0.948  -3.914
  434    HA   LEU  57           HA       LEU  57   3.268  -2.032  -1.852
  435   1HB   LEU  57           HB2      LEU  57   3.588   0.834  -2.817
  436   2HB   LEU  57           HB1      LEU  57   3.061   0.314  -1.218
  437    HG   LEU  57           HG       LEU  57   5.794  -0.289  -2.389
  438   1HD1  LEU  57          HD11      LEU  57   4.883   2.170  -1.541
  439   2HD1  LEU  57          HD13      LEU  57   5.602   1.503  -0.075
  440   3HD1  LEU  57          HD12      LEU  57   6.570   1.657  -1.541
  441   1HD2  LEU  57          HD23      LEU  57   4.467  -0.772   0.278
  442   2HD2  LEU  57          HD22      LEU  57   5.298  -1.933  -0.757
  443   3HD2  LEU  57          HD21      LEU  57   6.222  -0.713   0.120
  444    H    THR  58           HN       THR  58   2.668   0.132  -4.619
  445    HA   THR  58           HA       THR  58  -0.201   0.034  -4.495
  446    HB   THR  58           HB       THR  58   1.357   0.413  -7.035
  447    HG1  THR  58           HG1      THR  58   1.670   1.809  -4.641
  448   1HG2  THR  58          HG21      THR  58  -0.992   1.717  -5.666
  449   2HG2  THR  58          HG23      THR  58  -0.161   2.507  -7.006
  450   3HG2  THR  58          HG22      THR  58  -0.934   0.941  -7.249
  451    H    LYS  59           HN       LYS  59   2.227  -2.162  -5.567
  452    HA   LYS  59           HA       LYS  59   0.482  -3.647  -7.415
  453   1HB   LYS  59           HB2      LYS  59   3.050  -3.259  -7.513
  454   2HB   LYS  59           HB1      LYS  59   3.143  -4.515  -6.278
  455   1HG   LYS  59           HG2      LYS  59   1.569  -5.830  -7.946
  456   2HG   LYS  59           HG1      LYS  59   2.260  -4.724  -9.134
  457   1HD   LYS  59           HD2      LYS  59   3.790  -6.475  -9.218
  458   2HD   LYS  59           HD1      LYS  59   4.543  -5.423  -8.018
  459   1HE   LYS  59           HE2      LYS  59   4.067  -6.855  -6.266
  460   2HE   LYS  59           HE1      LYS  59   2.574  -7.445  -7.023
  461   1HZ   LYS  59           HZ3      LYS  59   4.173  -8.334  -8.818
  462   2HZ   LYS  59           HZ2      LYS  59   5.367  -8.186  -7.618
  463   3HZ   LYS  59           HZ1      LYS  59   4.025  -9.198  -7.366
  464    H    ALA  60           HN       ALA  60   1.358  -3.642  -4.038
  465    HA   ALA  60           HA       ALA  60   0.599  -6.422  -3.538
  466   1HB   ALA  60           HB1      ALA  60   1.932  -4.336  -2.220
  467   2HB   ALA  60           HB3      ALA  60   0.454  -4.563  -1.285
  468   3HB   ALA  60           HB2      ALA  60   1.557  -5.917  -1.533
  469    H    THR  61           HN       THR  61  -0.919  -3.228  -3.259
  470    HA   THR  61           HA       THR  61  -3.463  -4.367  -2.292
  471    HB   THR  61           HB       THR  61  -2.827  -2.167  -1.576
  472    HG1  THR  61           HG1      THR  61  -4.534  -0.896  -2.684
  473   1HG2  THR  61          HG22      THR  61  -2.405  -1.620  -4.509
  474   2HG2  THR  61          HG21      THR  61  -2.586  -0.322  -3.331
  475   3HG2  THR  61          HG23      THR  61  -1.245  -1.453  -3.191
  476    H    ALA  62           HN       ALA  62  -2.006  -3.224  -5.297
  477    HA   ALA  62           HA       ALA  62  -4.353  -3.426  -6.948
  478   1HB   ALA  62           HB1      ALA  62  -1.380  -3.720  -7.517
  479   2HB   ALA  62           HB3      ALA  62  -2.615  -3.530  -8.761
  480   3HB   ALA  62           HB2      ALA  62  -2.313  -2.226  -7.613
  481    H    ASP  63           HN       ASP  63  -2.015  -5.681  -5.630
  482    HA   ASP  63           HA       ASP  63  -2.909  -7.918  -7.325
  483   1HB   ASP  63           HB2      ASP  63  -0.922  -7.416  -5.123
  484   2HB   ASP  63           HB1      ASP  63  -1.373  -9.079  -5.499
  485    H    ALA  64           HN       ALA  64  -3.743  -6.416  -4.303
  486    HA   ALA  64           HA       ALA  64  -5.022  -8.740  -3.096
  487   1HB   ALA  64           HB2      ALA  64  -4.142  -6.460  -2.103
  488   2HB   ALA  64           HB1      ALA  64  -5.737  -5.862  -2.563
  489   3HB   ALA  64           HB3      ALA  64  -5.591  -7.194  -1.416
  490    H    GLY  65           HN       GLY  65  -5.766  -6.432  -5.536
  491   1HA   GLY  65           HA2      GLY  65  -7.638  -7.028  -7.072
  492   2HA   GLY  65           HA1      GLY  65  -8.573  -7.441  -5.635
  493    H    TYR  66           HN       TYR  66  -6.453  -4.682  -5.701
  494    HA   TYR  66           HA       TYR  66  -8.833  -2.873  -5.901
  495   1HB   TYR  66           HB2      TYR  66  -6.564  -2.791  -3.885
  496   2HB   TYR  66           HB1      TYR  66  -7.957  -1.705  -3.927
  497    HD1  TYR  66           HD1      TYR  66 -10.170  -3.423  -4.564
  498    HD2  TYR  66           HD2      TYR  66  -6.828  -4.199  -1.965
  499    HE1  TYR  66           HE1      TYR  66 -11.523  -5.090  -3.317
  500    HE2  TYR  66           HE2      TYR  66  -8.185  -5.855  -0.724
  501    HH   TYR  66           HH       TYR  66 -11.522  -6.094  -1.004
  502    HA   PRO  67           HA       PRO  67  -5.869  -1.311  -9.001
  503   1HB   PRO  67           HB2      PRO  67  -7.855   0.824  -9.258
  504   2HB   PRO  67           HB1      PRO  67  -7.360  -0.375 -10.458
  505   1HG   PRO  67           HG2      PRO  67  -9.801  -0.320  -8.987
  506   2HG   PRO  67           HG1      PRO  67  -9.245  -1.581 -10.091
  507   1HD   PRO  67           HD2      PRO  67  -9.508  -1.752  -7.234
  508   2HD   PRO  67           HD1      PRO  67  -8.865  -2.994  -8.337
  509    H    SER  68           HN       SER  68  -4.258  -0.553  -7.578
  510    HA   SER  68           HA       SER  68  -4.900   1.844  -5.934
  511   1HB   SER  68           HB2      SER  68  -3.122   1.085  -4.534
  512   2HB   SER  68           HB1      SER  68  -4.037  -0.349  -4.989
  513    HG   SER  68           HG       SER  68  -2.453  -0.429  -6.810
  514    H    SER  69           HN       SER  69  -3.342   3.555  -5.787
  515    HA   SER  69           HA       SER  69  -1.511   3.800  -8.144
  516   1HB   SER  69           HB2      SER  69  -3.822   5.120  -7.939
  517   2HB   SER  69           HB1      SER  69  -2.874   6.157  -6.877
  518    HG   SER  69           HG       SER  69  -1.924   6.932  -8.577
  519    H    VAL  70           HN       VAL  70  -0.005   5.881  -7.503
  520    HA   VAL  70           HA       VAL  70   0.699   5.678  -4.620
  521    HB   VAL  70           HB       VAL  70   1.786   4.034  -6.271
  522   1HG1  VAL  70          HG11      VAL  70   2.304   6.330  -7.688
  523   2HG1  VAL  70          HG13      VAL  70   3.843   6.062  -6.870
  524   3HG1  VAL  70          HG12      VAL  70   3.165   4.806  -7.906
  525   1HG2  VAL  70          HG22      VAL  70   2.760   5.411  -3.975
  526   2HG2  VAL  70          HG21      VAL  70   3.243   3.817  -4.558
  527   3HG2  VAL  70          HG23      VAL  70   4.113   5.254  -5.094
  528    H    LYS  71           HN       LYS  71   1.846   7.532  -3.807
  529    HA   LYS  71           HA       LYS  71   2.730   9.644  -5.639
  530   1HB   LYS  71           HB2      LYS  71   0.930  11.246  -4.910
  531   2HB   LYS  71           HB1      LYS  71   0.334   9.895  -5.877
  532   1HG   LYS  71           HG2      LYS  71   0.168   8.816  -3.392
  533   2HG   LYS  71           HG1      LYS  71  -0.125  10.515  -3.017
  534   1HD   LYS  71           HD2      LYS  71  -1.581   9.821  -5.390
  535   2HD   LYS  71           HD1      LYS  71  -1.947   8.644  -4.128
  536   1HE   LYS  71           HE2      LYS  71  -1.910  11.548  -3.375
  537   2HE   LYS  71           HE1      LYS  71  -3.317  10.917  -4.254
  538   1HZ   LYS  71           HZ1      LYS  71  -2.134   9.629  -1.853
  539   2HZ   LYS  71           HZ3      LYS  71  -3.488  10.649  -1.807
  540   3HZ   LYS  71           HZ2      LYS  71  -3.563   9.177  -2.653
  541    H    GLN  72           HN       GLN  72   4.140   8.490  -3.594
  542    HA   GLN  72           HA       GLN  72   5.180   8.894  -1.481
  543   1HB   GLN  72           HB2      GLN  72   5.852  10.569  -3.439
  544   2HB   GLN  72           HB1      GLN  72   5.143  11.756  -2.342
  545   1HG   GLN  72           HG2      GLN  72   6.645  11.097  -0.559
  546   2HG   GLN  72           HG1      GLN  72   7.271   9.760  -1.525
  547   1HE2  GLN  72          HE21      GLN  72   6.716  13.279  -2.156
  548   2HE2  GLN  72          HE22      GLN  72   8.263  13.552  -2.798
   
  No H/Q in entry =         548
  Start of MODEL   16
    1   1H    ALA   1           HT3      ALA   1  18.211   2.130   1.532
    2   2H    ALA   1           HT2      ALA   1  18.818   2.213  -0.052
    3   3H    ALA   1           HT1      ALA   1  17.667   3.343   0.480
    4    HA   ALA   1           HA       ALA   1  16.505   1.787  -0.878
    5   1HB   ALA   1           HB2      ALA   1  18.245  -0.059   0.733
    6   2HB   ALA   1           HB1      ALA   1  16.765  -0.680   0.001
    7   3HB   ALA   1           HB3      ALA   1  18.028   0.015  -1.015
    8    H    THR   2           HN       THR   2  15.599   3.382   1.108
    9    HA   THR   2           HA       THR   2  13.619   1.717   2.530
   10    HB   THR   2           HB       THR   2  14.300   3.756   4.284
   11    HG1  THR   2           HG1      THR   2  16.350   4.137   4.108
   12   1HG2  THR   2          HG22      THR   2  14.606   0.846   4.100
   13   2HG2  THR   2          HG21      THR   2  15.769   1.610   5.184
   14   3HG2  THR   2          HG23      THR   2  14.040   1.834   5.447
   15    H    GLN   3           HN       GLN   3  12.245   2.611   0.848
   16    HA   GLN   3           HA       GLN   3  11.866   5.581   0.951
   17   1HB   GLN   3           HB2      GLN   3  10.862   3.596  -1.097
   18   2HB   GLN   3           HB1      GLN   3  11.010   5.339  -1.284
   19   1HG   GLN   3           HG2      GLN   3  13.533   4.029  -0.533
   20   2HG   GLN   3           HG1      GLN   3  12.896   3.488  -2.085
   21   1HE2  GLN   3          HE22      GLN   3  13.479   7.551  -1.786
   22   2HE2  GLN   3          HE21      GLN   3  12.748   6.724  -0.496
   23    H    THR   4           HN       THR   4   9.724   6.434   1.067
   24    HA   THR   4           HA       THR   4   7.587   4.516   1.916
   25    HB   THR   4           HB       THR   4   8.231   7.184   3.211
   26    HG1  THR   4           HG1      THR   4   9.713   6.178   4.268
   27   1HG2  THR   4          HG21      THR   4   5.912   6.348   3.467
   28   2HG2  THR   4          HG23      THR   4   6.543   4.839   4.127
   29   3HG2  THR   4          HG22      THR   4   6.780   6.351   5.003
   30    H    VAL   5           HN       VAL   5   5.665   4.943   0.895
   31    HA   VAL   5           HA       VAL   5   5.232   7.675  -0.276
   32    HB   VAL   5           HB       VAL   5   4.477   6.579  -2.327
   33   1HG1  VAL   5          HG11      VAL   5   7.125   6.642  -1.346
   34   2HG1  VAL   5          HG13      VAL   5   6.948   5.090  -2.166
   35   3HG1  VAL   5          HG12      VAL   5   6.612   6.590  -3.032
   36   1HG2  VAL   5          HG21      VAL   5   4.552   4.237  -0.571
   37   2HG2  VAL   5          HG23      VAL   5   3.670   4.476  -2.080
   38   3HG2  VAL   5          HG22      VAL   5   5.353   3.948  -2.115
   39    H    THR   6           HN       THR   6   2.899   7.858  -0.977
   40    HA   THR   6           HA       THR   6   1.134   6.628   1.075
   41    HB   THR   6           HB       THR   6  -0.251   8.694   0.076
   42    HG1  THR   6           HG1      THR   6   1.509   8.976  -1.492
   43   1HG2  THR   6          HG21      THR   6   1.680   8.359   2.216
   44   2HG2  THR   6          HG23      THR   6   1.607  10.033   1.666
   45   3HG2  THR   6          HG22      THR   6   0.143   9.225   2.227
   46    H    LEU   7           HN       LEU   7  -0.962   5.841   0.240
   47    HA   LEU   7           HA       LEU   7  -0.911   5.425  -2.728
   48   1HB   LEU   7           HB2      LEU   7  -0.721   3.506  -0.576
   49   2HB   LEU   7           HB1      LEU   7  -2.168   3.194  -1.527
   50    HG   LEU   7           HG       LEU   7  -0.862   3.116  -3.573
   51   1HD1  LEU   7          HD11      LEU   7   1.373   3.981  -1.745
   52   2HD1  LEU   7          HD13      LEU   7   1.683   3.237  -3.313
   53   3HD1  LEU   7          HD12      LEU   7   0.804   4.758  -3.217
   54   1HD2  LEU   7          HD22      LEU   7   0.195   1.497  -1.257
   55   2HD2  LEU   7          HD21      LEU   7  -0.880   0.975  -2.553
   56   3HD2  LEU   7          HD23      LEU   7   0.829   1.266  -2.885
   57    H    ALA   8           HN       ALA   8  -2.945   5.060  -3.683
   58    HA   ALA   8           HA       ALA   8  -5.304   6.017  -2.087
   59   1HB   ALA   8           HB2      ALA   8  -3.927   7.172  -4.323
   60   2HB   ALA   8           HB1      ALA   8  -5.535   6.683  -4.860
   61   3HB   ALA   8           HB3      ALA   8  -5.358   7.787  -3.496
   62    H    VAL   9           HN       VAL   9  -6.622   4.215  -1.948
   63    HA   VAL   9           HA       VAL   9  -6.845   2.487  -4.396
   64    HB   VAL   9           HB       VAL   9  -7.243   1.874  -1.453
   65   1HG1  VAL   9          HG11      VAL   9  -8.485   0.568  -3.390
   66   2HG1  VAL   9          HG13      VAL   9  -6.903  -0.180  -3.604
   67   3HG1  VAL   9          HG12      VAL   9  -7.736  -0.310  -2.056
   68   1HG2  VAL   9          HG23      VAL   9  -4.871   2.304  -2.753
   69   2HG2  VAL   9          HG22      VAL   9  -5.058   1.221  -1.373
   70   3HG2  VAL   9          HG21      VAL   9  -5.094   0.574  -3.014
   71    HA   PRO  10           HA       PRO  10 -10.992   4.529  -3.649
   72   1HB   PRO  10           HB2      PRO  10 -11.275   4.858  -6.453
   73   2HB   PRO  10           HB1      PRO  10 -10.894   6.112  -5.269
   74   1HG   PRO  10           HG2      PRO  10  -9.153   4.906  -7.257
   75   2HG   PRO  10           HG1      PRO  10  -8.845   6.298  -6.218
   76   1HD   PRO  10           HD2      PRO  10  -7.721   3.674  -5.978
   77   2HD   PRO  10           HD1      PRO  10  -7.515   5.046  -4.863
   78    H    GLY  11           HN       GLY  11  -9.756   1.757  -5.196
   79   1HA   GLY  11           HA2      GLY  11 -11.948   0.727  -6.639
   80   2HA   GLY  11           HA1      GLY  11 -10.782  -0.276  -5.773
   81    H    MET  12           HN       MET  12 -11.551   1.199  -3.227
   82    HA   MET  12           HA       MET  12 -14.294   0.131  -2.791
   83   1HB   MET  12           HB2      MET  12 -12.227  -0.480  -0.730
   84   2HB   MET  12           HB1      MET  12 -13.637  -1.418  -1.211
   85   1HG   MET  12           HG2      MET  12 -11.850  -2.691  -2.026
   86   2HG   MET  12           HG1      MET  12 -12.347  -1.773  -3.447
   87   1HE   MET  12           HE2      MET  12 -10.488  -0.934  -0.176
   88   2HE   MET  12           HE1      MET  12  -9.743  -2.426  -0.741
   89   3HE   MET  12           HE3      MET  12  -8.799  -0.932  -0.671
   90    H    THR  13           HN       THR  13 -14.770   0.678  -0.255
   91    HA   THR  13           HA       THR  13 -13.413   2.871   0.971
   92    HB   THR  13           HB       THR  13 -13.998   4.175  -0.931
   93    HG1  THR  13           HG1      THR  13 -14.904   4.767   1.356
   94   1HG2  THR  13          HG23      THR  13 -16.337   2.408  -0.935
   95   2HG2  THR  13          HG22      THR  13 -16.741   4.090  -1.280
   96   3HG2  THR  13          HG21      THR  13 -15.559   3.244  -2.278
   97    H    CYS  14           HN       CYS  14 -14.202   1.104   2.627
   98    HA   CYS  14           HA       CYS  14 -16.744   2.154   3.736
   99   1HB   CYS  14           HB2      CYS  14 -18.024   0.357   3.233
  100   2HB   CYS  14           HB1      CYS  14 -16.796   0.018   2.026
  101    H    ALA  15           HN       ALA  15 -14.367  -0.524   4.312
  102    HA   ALA  15           HA       ALA  15 -13.445   0.592   6.771
  103   1HB   ALA  15           HB1      ALA  15 -15.995  -0.937   6.781
  104   2HB   ALA  15           HB3      ALA  15 -14.876  -1.263   8.104
  105   3HB   ALA  15           HB2      ALA  15 -15.468   0.376   7.833
  106    H    ALA  16           HN       ALA  16 -14.076  -2.301   4.856
  107    HA   ALA  16           HA       ALA  16 -11.781  -3.645   6.237
  108   1HB   ALA  16           HB1      ALA  16 -14.149  -4.605   6.284
  109   2HB   ALA  16           HB3      ALA  16 -13.952  -4.908   4.557
  110   3HB   ALA  16           HB2      ALA  16 -12.886  -5.699   5.718
  111    H    CYS  17           HN       CYS  17 -13.229  -3.051   3.017
  112    HA   CYS  17           HA       CYS  17 -11.172  -4.424   1.550
  113   1HB   CYS  17           HB2      CYS  17 -12.815  -2.097   0.538
  114   2HB   CYS  17           HB1      CYS  17 -12.215  -3.478  -0.367
  115    HA   PRO  18           HA       PRO  18  -9.169  -0.088   0.959
  116   1HB   PRO  18           HB2      PRO  18  -9.719   1.523   3.229
  117   2HB   PRO  18           HB1      PRO  18 -10.266   1.801   1.579
  118   1HG   PRO  18           HG2      PRO  18 -11.825   0.932   3.869
  119   2HG   PRO  18           HG1      PRO  18 -12.388   1.393   2.259
  120   1HD   PRO  18           HD2      PRO  18 -12.285  -1.241   3.369
  121   2HD   PRO  18           HD1      PRO  18 -12.723  -0.792   1.705
  122    H    ILE  19           HN       ILE  19  -9.881  -1.277   4.206
  123    HA   ILE  19           HA       ILE  19  -7.201  -0.990   5.276
  124    HB   ILE  19           HB       ILE  19  -9.819  -1.826   6.056
  125   1HG1  ILE  19          HG12      ILE  19  -7.412  -1.699   7.869
  126   2HG1  ILE  19          HG11      ILE  19  -8.063  -0.243   7.116
  127   1HG2  ILE  19          HG23      ILE  19  -7.667  -3.874   6.638
  128   2HG2  ILE  19          HG22      ILE  19  -9.140  -3.733   7.596
  129   3HG2  ILE  19          HG21      ILE  19  -9.238  -4.147   5.884
  130   1HD1  ILE  19          HD13      ILE  19 -10.346  -1.361   8.073
  131   2HD1  ILE  19          HD12      ILE  19  -9.193  -1.915   9.283
  132   3HD1  ILE  19          HD11      ILE  19  -9.387  -0.190   8.973
  133    H    THR  20           HN       THR  20  -8.802  -3.313   3.214
  134    HA   THR  20           HA       THR  20  -7.076  -5.577   3.572
  135    HB   THR  20           HB       THR  20  -8.433  -4.638   1.016
  136    HG1  THR  20           HG1      THR  20  -9.469  -5.884   3.333
  137   1HG2  THR  20          HG23      THR  20  -7.255  -7.164   2.031
  138   2HG2  THR  20          HG22      THR  20  -8.776  -7.316   1.150
  139   3HG2  THR  20          HG21      THR  20  -7.381  -6.560   0.379
  140    H    VAL  21           HN       VAL  21  -6.731  -2.482   2.117
  141    HA   VAL  21           HA       VAL  21  -4.579  -3.132   0.302
  142    HB   VAL  21           HB       VAL  21  -5.418  -0.513   1.593
  143   1HG1  VAL  21          HG13      VAL  21  -3.193  -1.041   0.067
  144   2HG1  VAL  21          HG12      VAL  21  -4.366  -0.554  -1.157
  145   3HG1  VAL  21          HG11      VAL  21  -3.983   0.533   0.178
  146   1HG2  VAL  21          HG21      VAL  21  -7.060  -2.092   0.139
  147   2HG2  VAL  21          HG23      VAL  21  -7.116  -0.331   0.055
  148   3HG2  VAL  21          HG22      VAL  21  -6.240  -1.245  -1.173
  149    H    LYS  22           HN       LYS  22  -4.914  -2.113   3.653
  150    HA   LYS  22           HA       LYS  22  -2.175  -1.477   4.177
  151   1HB   LYS  22           HB2      LYS  22  -3.538  -0.814   5.914
  152   2HB   LYS  22           HB1      LYS  22  -4.661  -2.146   5.669
  153   1HG   LYS  22           HG2      LYS  22  -3.535  -3.528   7.111
  154   2HG   LYS  22           HG1      LYS  22  -1.958  -2.880   6.661
  155   1HD   LYS  22           HD2      LYS  22  -3.256  -0.729   7.882
  156   2HD   LYS  22           HD1      LYS  22  -3.696  -2.121   8.872
  157   1HE   LYS  22           HE2      LYS  22  -1.068  -2.652   8.561
  158   2HE   LYS  22           HE1      LYS  22  -1.021  -0.881   8.447
  159   1HZ   LYS  22           HZ3      LYS  22  -2.707  -1.092  10.428
  160   2HZ   LYS  22           HZ2      LYS  22  -1.915  -2.577  10.667
  161   3HZ   LYS  22           HZ1      LYS  22  -1.034  -1.124  10.706
  162    H    LYS  23           HN       LYS  23  -4.070  -4.431   4.108
  163    HA   LYS  23           HA       LYS  23  -2.077  -6.178   5.184
  164   1HB   LYS  23           HB2      LYS  23  -4.316  -6.935   5.153
  165   2HB   LYS  23           HB1      LYS  23  -4.530  -6.459   3.468
  166   1HG   LYS  23           HG2      LYS  23  -4.288  -8.946   3.807
  167   2HG   LYS  23           HG1      LYS  23  -3.094  -8.251   2.711
  168   1HD   LYS  23           HD2      LYS  23  -1.436  -9.003   4.025
  169   2HD   LYS  23           HD1      LYS  23  -2.070  -8.057   5.371
  170   1HE   LYS  23           HE2      LYS  23  -2.087 -10.329   6.136
  171   2HE   LYS  23           HE1      LYS  23  -3.770  -9.985   5.690
  172   1HZ   LYS  23           HZ3      LYS  23  -2.880 -10.706   3.341
  173   2HZ   LYS  23           HZ2      LYS  23  -1.760 -11.579   4.273
  174   3HZ   LYS  23           HZ1      LYS  23  -3.425 -11.859   4.459
  175    H    ALA  24           HN       ALA  24  -2.967  -5.307   1.910
  176    HA   ALA  24           HA       ALA  24  -1.234  -6.961   0.446
  177   1HB   ALA  24           HB2      ALA  24  -3.063  -4.892   0.017
  178   2HB   ALA  24           HB1      ALA  24  -1.557  -4.301  -0.685
  179   3HB   ALA  24           HB3      ALA  24  -2.241  -5.832  -1.230
  180    H    LEU  25           HN       LEU  25  -0.640  -3.560   1.467
  181    HA   LEU  25           HA       LEU  25   2.051  -3.446   0.478
  182   1HB   LEU  25           HB2      LEU  25   0.942  -1.978   2.881
  183   2HB   LEU  25           HB1      LEU  25   2.173  -1.420   1.750
  184    HG   LEU  25           HG       LEU  25  -0.256  -2.119   0.338
  185   1HD1  LEU  25          HD13      LEU  25  -1.059  -1.428   2.718
  186   2HD1  LEU  25          HD12      LEU  25  -0.565   0.196   2.240
  187   3HD1  LEU  25          HD11      LEU  25  -1.810  -0.654   1.323
  188   1HD2  LEU  25          HD22      LEU  25   1.878  -0.366   0.127
  189   2HD2  LEU  25          HD21      LEU  25   0.438  -0.343  -0.891
  190   3HD2  LEU  25          HD23      LEU  25   0.533   0.702   0.526
  191    H    SER  26           HN       SER  26   0.721  -4.313   3.657
  192    HA   SER  26           HA       SER  26   3.226  -4.648   5.005
  193   1HB   SER  26           HB2      SER  26   1.414  -4.634   6.453
  194   2HB   SER  26           HB1      SER  26   0.372  -5.476   5.311
  195    HG   SER  26           HG       SER  26   1.187  -7.370   5.947
  196    H    LYS  27           HN       LYS  27   1.496  -6.484   2.637
  197    HA   LYS  27           HA       LYS  27   3.267  -8.830   3.078
  198   1HB   LYS  27           HB2      LYS  27   0.487  -8.376   2.291
  199   2HB   LYS  27           HB1      LYS  27   1.318  -9.503   1.218
  200   1HG   LYS  27           HG2      LYS  27   0.195 -10.550   3.252
  201   2HG   LYS  27           HG1      LYS  27   1.898 -10.950   3.031
  202   1HD   LYS  27           HD2      LYS  27   2.324 -10.145   5.087
  203   2HD   LYS  27           HD1      LYS  27   1.812  -8.550   4.544
  204   1HE   LYS  27           HE2      LYS  27  -0.126  -8.683   5.710
  205   2HE   LYS  27           HE1      LYS  27  -0.473 -10.294   5.053
  206   1HZ   LYS  27           HZ2      LYS  27   1.504  -9.727   7.199
  207   2HZ   LYS  27           HZ1      LYS  27  -0.057 -10.347   7.463
  208   3HZ   LYS  27           HZ3      LYS  27   1.081 -11.260   6.598
  209    H    VAL  28           HN       VAL  28   3.075  -6.093   1.201
  210    HA   VAL  28           HA       VAL  28   3.463  -6.782  -1.461
  211    HB   VAL  28           HB       VAL  28   4.031  -4.606   0.341
  212   1HG1  VAL  28          HG11      VAL  28   6.221  -5.238  -1.650
  213   2HG1  VAL  28          HG13      VAL  28   5.936  -3.608  -1.040
  214   3HG1  VAL  28          HG12      VAL  28   6.389  -4.899   0.072
  215   1HG2  VAL  28          HG23      VAL  28   3.167  -5.106  -2.399
  216   2HG2  VAL  28          HG22      VAL  28   2.695  -3.816  -1.293
  217   3HG2  VAL  28          HG21      VAL  28   4.155  -3.651  -2.269
  218    H    GLU  29           HN       GLU  29   6.015  -6.606   1.029
  219    HA   GLU  29           HA       GLU  29   7.458  -8.906   0.689
  220   1HB   GLU  29           HB2      GLU  29   7.576  -7.204  -1.723
  221   2HB   GLU  29           HB1      GLU  29   9.155  -7.728  -1.137
  222   1HG   GLU  29           HG2      GLU  29   7.499  -9.985  -0.935
  223   2HG   GLU  29           HG1      GLU  29   7.124  -9.264  -2.499
  224    H    GLY  30           HN       GLY  30   8.744  -5.742  -0.245
  225   1HA   GLY  30           HA2      GLY  30  10.683  -5.841   1.942
  226   2HA   GLY  30           HA1      GLY  30  10.595  -4.594   0.703
  227    H    VAL  31           HN       VAL  31   7.559  -4.497   1.483
  228    HA   VAL  31           HA       VAL  31   7.392  -2.143   2.866
  229    HB   VAL  31           HB       VAL  31   5.522  -3.546   1.998
  230   1HG1  VAL  31          HG12      VAL  31   6.647  -5.476   3.682
  231   2HG1  VAL  31          HG11      VAL  31   5.129  -5.039   4.467
  232   3HG1  VAL  31          HG13      VAL  31   5.127  -5.619   2.802
  233   1HG2  VAL  31          HG22      VAL  31   5.327  -2.646   4.888
  234   2HG2  VAL  31          HG21      VAL  31   4.980  -1.676   3.457
  235   3HG2  VAL  31          HG23      VAL  31   3.937  -3.034   3.877
  236    H    SER  32           HN       SER  32   8.237  -1.455   4.744
  237    HA   SER  32           HA       SER  32   8.788  -3.450   6.900
  238   1HB   SER  32           HB2      SER  32  10.076  -0.838   6.067
  239   2HB   SER  32           HB1      SER  32  10.443  -1.621   7.601
  240    HG   SER  32           HG       SER  32  10.978  -3.508   6.330
  241    H    LYS  33           HN       LYS  33   6.915  -0.796   5.921
  242    HA   LYS  33           HA       LYS  33   5.834  -0.532   8.683
  243   1HB   LYS  33           HB2      LYS  33   7.638   1.243   7.682
  244   2HB   LYS  33           HB1      LYS  33   6.120   1.971   7.143
  245   1HG   LYS  33           HG2      LYS  33   5.298   2.185   9.310
  246   2HG   LYS  33           HG1      LYS  33   6.413   0.978   9.953
  247   1HD   LYS  33           HD2      LYS  33   8.078   2.498  10.249
  248   2HD   LYS  33           HD1      LYS  33   7.744   3.292   8.710
  249   1HE   LYS  33           HE2      LYS  33   5.529   4.044  10.078
  250   2HE   LYS  33           HE1      LYS  33   6.685   3.915  11.418
  251   1HZ   LYS  33           HZ2      LYS  33   7.656   5.138   8.958
  252   2HZ   LYS  33           HZ1      LYS  33   6.552   6.055   9.866
  253   3HZ   LYS  33           HZ3      LYS  33   8.001   5.531  10.574
  254    H    VAL  34           HN       VAL  34   3.663   0.300   8.696
  255    HA   VAL  34           HA       VAL  34   2.304   0.670   6.088
  256    HB   VAL  34           HB       VAL  34   1.381  -1.421   8.069
  257   1HG1  VAL  34          HG12      VAL  34   0.599  -0.481   5.352
  258   2HG1  VAL  34          HG11      VAL  34   0.491  -2.214   5.660
  259   3HG1  VAL  34          HG13      VAL  34  -0.411  -1.081   6.667
  260   1HG2  VAL  34          HG22      VAL  34   3.209  -1.723   5.668
  261   2HG2  VAL  34          HG21      VAL  34   3.588  -2.120   7.344
  262   3HG2  VAL  34          HG23      VAL  34   2.399  -3.072   6.458
  263    H    ASP  35           HN       ASP  35   0.796   2.225   6.315
  264    HA   ASP  35           HA       ASP  35  -0.773   2.540   8.795
  265   1HB   ASP  35           HB2      ASP  35   1.252   4.535   7.730
  266   2HB   ASP  35           HB1      ASP  35  -0.024   4.993   8.859
  267    H    VAL  36           HN       VAL  36  -2.528   2.055   7.298
  268    HA   VAL  36           HA       VAL  36  -2.956   4.073   5.134
  269    HB   VAL  36           HB       VAL  36  -4.171   2.360   4.032
  270   1HG1  VAL  36          HG13      VAL  36  -1.644   1.978   4.383
  271   2HG1  VAL  36          HG12      VAL  36  -2.120   0.748   5.554
  272   3HG1  VAL  36          HG11      VAL  36  -2.603   0.591   3.865
  273   1HG2  VAL  36          HG21      VAL  36  -4.234   0.916   6.701
  274   2HG2  VAL  36          HG23      VAL  36  -5.602   1.705   5.917
  275   3HG2  VAL  36          HG22      VAL  36  -4.873   0.276   5.187
  276    H    GLY  37           HN       GLY  37  -5.656   3.562   4.758
  277   1HA   GLY  37           HA2      GLY  37  -7.082   4.160   7.272
  278   2HA   GLY  37           HA1      GLY  37  -7.115   5.421   6.034
  279    H    PHE  38           HN       PHE  38  -8.704   2.695   7.136
  280    HA   PHE  38           HA       PHE  38  -9.554   1.248   4.931
  281   1HB   PHE  38           HB2      PHE  38 -11.683   0.998   6.334
  282   2HB   PHE  38           HB1      PHE  38 -10.162   0.578   7.111
  283    HD1  PHE  38           HD1      PHE  38 -10.574   4.138   6.602
  284    HD2  PHE  38           HD2      PHE  38 -11.546   0.888   9.241
  285    HE1  PHE  38           HE1      PHE  38 -11.053   5.752   8.415
  286    HE2  PHE  38           HE2      PHE  38 -12.020   2.508  11.055
  287    HZ   PHE  38           HZ       PHE  38 -11.775   4.940  10.643
  288    H    GLU  39           HN       GLU  39 -12.409   2.741   5.958
  289    HA   GLU  39           HA       GLU  39 -13.621   3.381   3.640
  290   1HB   GLU  39           HB2      GLU  39 -14.695   3.785   5.725
  291   2HB   GLU  39           HB1      GLU  39 -13.461   4.944   6.221
  292   1HG   GLU  39           HG2      GLU  39 -14.619   6.623   5.276
  293   2HG   GLU  39           HG1      GLU  39 -14.586   5.795   3.719
  294    H    LYS  40           HN       LYS  40 -10.992   5.306   5.037
  295    HA   LYS  40           HA       LYS  40 -11.215   7.341   2.899
  296   1HB   LYS  40           HB2      LYS  40  -9.406   8.408   4.193
  297   2HB   LYS  40           HB1      LYS  40 -10.714   7.916   5.266
  298   1HG   LYS  40           HG2      LYS  40  -9.507   6.011   6.032
  299   2HG   LYS  40           HG1      LYS  40  -8.315   6.156   4.740
  300   1HD   LYS  40           HD2      LYS  40  -8.728   8.297   6.838
  301   2HD   LYS  40           HD1      LYS  40  -7.548   6.998   7.013
  302   1HE   LYS  40           HE2      LYS  40  -6.310   7.733   5.095
  303   2HE   LYS  40           HE1      LYS  40  -7.610   8.836   4.600
  304   1HZ   LYS  40           HZ3      LYS  40  -6.512   9.081   7.308
  305   2HZ   LYS  40           HZ2      LYS  40  -5.606   9.710   6.015
  306   3HZ   LYS  40           HZ1      LYS  40  -7.182  10.274   6.305
  307    H    ARG  41           HN       ARG  41 -10.791   4.931   1.749
  308    HA   ARG  41           HA       ARG  41  -8.750   3.472   1.143
  309   1HB   ARG  41           HB2      ARG  41  -9.009   3.935  -1.236
  310   2HB   ARG  41           HB1      ARG  41 -10.573   4.085  -0.435
  311   1HG   ARG  41           HG2      ARG  41 -10.738   6.173  -1.262
  312   2HG   ARG  41           HG1      ARG  41  -9.365   6.631  -0.254
  313   1HD   ARG  41           HD2      ARG  41  -7.929   6.672  -2.037
  314   2HD   ARG  41           HD1      ARG  41  -8.620   5.196  -2.737
  315    HE   ARG  41           HE       ARG  41 -10.635   7.099  -3.008
  316   1HH1  ARG  41          HH21      ARG  41  -7.306   6.828  -3.894
  317   2HH1  ARG  41          HH22      ARG  41  -7.476   7.788  -5.325
  318   1HH2  ARG  41          HH11      ARG  41 -10.866   8.351  -4.873
  319   2HH2  ARG  41          HH12      ARG  41  -9.487   8.651  -5.877
  320    H    GLU  42           HN       GLU  42  -6.905   4.375   2.416
  321    HA   GLU  42           HA       GLU  42  -5.051   5.808   0.591
  322   1HB   GLU  42           HB2      GLU  42  -6.278   6.869   3.109
  323   2HB   GLU  42           HB1      GLU  42  -4.593   7.279   2.786
  324   1HG   GLU  42           HG2      GLU  42  -5.466   7.892   0.397
  325   2HG   GLU  42           HG1      GLU  42  -7.043   7.969   1.185
  326    H    ALA  43           HN       ALA  43  -3.323   4.374   0.654
  327    HA   ALA  43           HA       ALA  43  -2.633   3.178   3.307
  328   1HB   ALA  43           HB1      ALA  43  -2.777   2.259   0.529
  329   2HB   ALA  43           HB3      ALA  43  -1.281   1.785   1.332
  330   3HB   ALA  43           HB2      ALA  43  -2.837   1.320   2.021
  331    H    VAL  44           HN       VAL  44  -0.914   4.211   4.255
  332    HA   VAL  44           HA       VAL  44   1.197   5.373   2.471
  333    HB   VAL  44           HB       VAL  44   0.133   5.920   5.235
  334   1HG1  VAL  44          HG13      VAL  44   2.802   6.777   4.088
  335   2HG1  VAL  44          HG12      VAL  44   2.033   7.586   5.453
  336   3HG1  VAL  44          HG11      VAL  44   2.518   5.896   5.589
  337   1HG2  VAL  44          HG22      VAL  44   0.082   7.177   2.610
  338   2HG2  VAL  44          HG21      VAL  44  -0.921   7.500   4.024
  339   3HG2  VAL  44          HG23      VAL  44   0.649   8.287   3.857
  340    H    VAL  45           HN       VAL  45   2.928   3.978   2.280
  341    HA   VAL  45           HA       VAL  45   3.650   2.422   4.757
  342    HB   VAL  45           HB       VAL  45   4.262   0.592   3.098
  343   1HG1  VAL  45          HG13      VAL  45   1.597   1.496   3.947
  344   2HG1  VAL  45          HG12      VAL  45   1.571   0.407   2.560
  345   3HG1  VAL  45          HG11      VAL  45   2.336  -0.102   4.066
  346   1HG2  VAL  45          HG22      VAL  45   4.185   2.317   1.170
  347   2HG2  VAL  45          HG21      VAL  45   3.513   0.714   0.872
  348   3HG2  VAL  45          HG23      VAL  45   2.439   2.071   1.213
  349    H    THR  46           HN       THR  46   5.802   1.611   4.807
  350    HA   THR  46           HA       THR  46   7.818   3.200   3.245
  351    HB   THR  46           HB       THR  46   7.617   2.303   6.124
  352    HG1  THR  46           HG1      THR  46   7.268   4.357   6.223
  353   1HG2  THR  46          HG22      THR  46   9.769   1.453   5.270
  354   2HG2  THR  46          HG21      THR  46  10.162   3.062   4.664
  355   3HG2  THR  46          HG23      THR  46  10.019   2.784   6.400
  356    H    PHE  47           HN       PHE  47   9.838   1.804   2.874
  357    HA   PHE  47           HA       PHE  47   9.664  -1.026   3.443
  358   1HB   PHE  47           HB2      PHE  47   9.131  -1.752   1.156
  359   2HB   PHE  47           HB1      PHE  47   7.846  -0.722   1.788
  360    HD1  PHE  47           HD2      PHE  47  10.855  -0.766  -0.419
  361    HD2  PHE  47           HD1      PHE  47   7.334   1.390   0.800
  362    HE1  PHE  47           HE2      PHE  47  11.159   0.800  -2.305
  363    HE2  PHE  47           HE1      PHE  47   7.639   2.947  -1.102
  364    HZ   PHE  47           HZ       PHE  47   9.546   2.651  -2.652
  365    H    ASP  48           HN       ASP  48  11.129  -2.212   1.695
  366    HA   ASP  48           HA       ASP  48  13.642  -0.627   1.541
  367   1HB   ASP  48           HB2      ASP  48  12.885  -3.476   2.008
  368   2HB   ASP  48           HB1      ASP  48  14.395  -3.187   1.142
  369    H    ASP  49           HN       ASP  49  13.981   0.157  -0.485
  370    HA   ASP  49           HA       ASP  49  12.450  -0.701  -2.755
  371   1HB   ASP  49           HB2      ASP  49  13.670   0.991  -3.882
  372   2HB   ASP  49           HB1      ASP  49  13.625   1.531  -2.205
  373    H    THR  50           HN       THR  50  14.978  -2.315  -1.273
  374    HA   THR  50           HA       THR  50  16.398  -3.252  -3.648
  375    HB   THR  50           HB       THR  50  17.123  -4.980  -1.751
  376    HG1  THR  50           HG1      THR  50  15.934  -4.590  -0.060
  377   1HG2  THR  50          HG23      THR  50  18.472  -3.120  -2.775
  378   2HG2  THR  50          HG22      THR  50  17.824  -2.043  -1.538
  379   3HG2  THR  50          HG21      THR  50  18.831  -3.415  -1.074
  380    H    LYS  51           HN       LYS  51  13.568  -4.278  -1.838
  381    HA   LYS  51           HA       LYS  51  13.393  -6.694  -3.613
  382   1HB   LYS  51           HB2      LYS  51  12.804  -6.267  -0.682
  383   2HB   LYS  51           HB1      LYS  51  12.099  -7.620  -1.566
  384   1HG   LYS  51           HG2      LYS  51  14.031  -8.770  -1.459
  385   2HG   LYS  51           HG1      LYS  51  14.921  -7.416  -2.157
  386   1HD   LYS  51           HD2      LYS  51  15.887  -7.752  -0.008
  387   2HD   LYS  51           HD1      LYS  51  14.830  -6.353   0.174
  388   1HE   LYS  51           HE2      LYS  51  13.208  -7.570   1.369
  389   2HE   LYS  51           HE1      LYS  51  13.787  -9.128   0.747
  390   1HZ   LYS  51           HZ3      LYS  51  15.673  -7.442   2.220
  391   2HZ   LYS  51           HZ2      LYS  51  14.496  -8.275   3.118
  392   3HZ   LYS  51           HZ1      LYS  51  15.581  -9.133   2.132
  393    H    ALA  52           HN       ALA  52  12.029  -3.739  -2.855
  394    HA   ALA  52           HA       ALA  52   9.541  -4.407  -4.296
  395   1HB   ALA  52           HB2      ALA  52   9.260  -4.957  -1.830
  396   2HB   ALA  52           HB1      ALA  52   9.467  -3.237  -1.502
  397   3HB   ALA  52           HB3      ALA  52   8.098  -3.792  -2.466
  398    H    SER  53           HN       SER  53   8.116  -2.105  -3.872
  399    HA   SER  53           HA       SER  53   9.642   0.317  -3.747
  400   1HB   SER  53           HB2      SER  53   9.453   0.655  -6.346
  401   2HB   SER  53           HB1      SER  53  10.786  -0.292  -5.691
  402    HG   SER  53           HG       SER  53   9.750  -1.395  -7.385
  403    H    VAL  54           HN       VAL  54   8.334   2.192  -4.538
  404    HA   VAL  54           HA       VAL  54   5.712   2.291  -3.712
  405    HB   VAL  54           HB       VAL  54   5.598   4.297  -5.023
  406   1HG1  VAL  54          HG13      VAL  54   7.661   3.824  -3.344
  407   2HG1  VAL  54          HG12      VAL  54   8.551   4.198  -4.820
  408   3HG1  VAL  54          HG11      VAL  54   7.417   5.371  -4.154
  409   1HG2  VAL  54          HG23      VAL  54   7.588   2.873  -6.784
  410   2HG2  VAL  54          HG22      VAL  54   6.025   3.557  -7.232
  411   3HG2  VAL  54          HG21      VAL  54   7.381   4.622  -6.863
  412    H    GLN  55           HN       GLN  55   6.946   1.116  -6.802
  413    HA   GLN  55           HA       GLN  55   4.426   0.839  -8.164
  414   1HB   GLN  55           HB2      GLN  55   7.047   0.636  -8.797
  415   2HB   GLN  55           HB1      GLN  55   6.671  -1.078  -8.616
  416   1HG   GLN  55           HG2      GLN  55   5.218  -1.092 -10.411
  417   2HG   GLN  55           HG1      GLN  55   4.778   0.604 -10.203
  418   1HE2  GLN  55          HE22      GLN  55   8.452  -0.045 -11.945
  419   2HE2  GLN  55          HE21      GLN  55   7.994  -0.987 -10.610
  420    H    LYS  56           HN       LYS  56   6.424  -1.451  -6.297
  421    HA   LYS  56           HA       LYS  56   4.636  -3.682  -6.467
  422   1HB   LYS  56           HB2      LYS  56   7.179  -3.151  -5.583
  423   2HB   LYS  56           HB1      LYS  56   6.325  -3.395  -4.060
  424   1HG   LYS  56           HG2      LYS  56   6.391  -5.617  -4.394
  425   2HG   LYS  56           HG1      LYS  56   5.434  -5.412  -5.862
  426   1HD   LYS  56           HD2      LYS  56   7.940  -4.596  -6.677
  427   2HD   LYS  56           HD1      LYS  56   8.314  -5.913  -5.565
  428   1HE   LYS  56           HE2      LYS  56   6.788  -7.411  -6.792
  429   2HE   LYS  56           HE1      LYS  56   6.379  -6.089  -7.903
  430   1HZ   LYS  56           HZ2      LYS  56   8.926  -5.885  -8.132
  431   2HZ   LYS  56           HZ1      LYS  56   8.952  -7.482  -7.554
  432   3HZ   LYS  56           HZ3      LYS  56   8.125  -7.115  -8.988
  433    H    LEU  57           HN       LEU  57   4.634  -0.824  -4.390
  434    HA   LEU  57           HA       LEU  57   2.961  -1.965  -2.300
  435   1HB   LEU  57           HB2      LEU  57   3.286   0.919  -3.193
  436   2HB   LEU  57           HB1      LEU  57   2.785   0.362  -1.599
  437    HG   LEU  57           HG       LEU  57   5.493  -0.251  -2.834
  438   1HD1  LEU  57          HD12      LEU  57   4.602   2.213  -1.965
  439   2HD1  LEU  57          HD11      LEU  57   5.344   1.546  -0.511
  440   3HD1  LEU  57          HD13      LEU  57   6.288   1.699  -1.993
  441   1HD2  LEU  57          HD23      LEU  57   4.213  -0.722  -0.135
  442   2HD2  LEU  57          HD22      LEU  57   5.027  -1.887  -1.179
  443   3HD2  LEU  57          HD21      LEU  57   5.966  -0.664  -0.321
  444    H    THR  58           HN       THR  58   2.296   0.317  -4.968
  445    HA   THR  58           HA       THR  58  -0.564   0.215  -4.774
  446    HB   THR  58           HB       THR  58   0.914   0.642  -7.353
  447    HG1  THR  58           HG1      THR  58   1.249   2.037  -4.953
  448   1HG2  THR  58          HG23      THR  58  -1.266   2.170  -5.901
  449   2HG2  THR  58          HG22      THR  58  -0.656   2.541  -7.514
  450   3HG2  THR  58          HG21      THR  58  -1.516   1.029  -7.222
  451    H    LYS  59           HN       LYS  59   1.845  -1.920  -6.041
  452    HA   LYS  59           HA       LYS  59   0.062  -3.366  -7.858
  453   1HB   LYS  59           HB2      LYS  59   2.542  -3.123  -8.139
  454   2HB   LYS  59           HB1      LYS  59   2.767  -4.084  -6.676
  455   1HG   LYS  59           HG2      LYS  59   2.197  -6.038  -7.710
  456   2HG   LYS  59           HG1      LYS  59   0.978  -5.263  -8.722
  457   1HD   LYS  59           HD2      LYS  59   3.941  -4.844  -9.154
  458   2HD   LYS  59           HD1      LYS  59   3.045  -6.141  -9.944
  459   1HE   LYS  59           HE2      LYS  59   1.427  -3.949 -10.414
  460   2HE   LYS  59           HE1      LYS  59   3.059  -3.264 -10.545
  461   1HZ   LYS  59           HZ2      LYS  59   3.514  -5.476 -11.812
  462   2HZ   LYS  59           HZ1      LYS  59   1.837  -5.452 -12.080
  463   3HZ   LYS  59           HZ3      LYS  59   2.799  -4.166 -12.624
  464    H    ALA  60           HN       ALA  60   1.079  -3.507  -4.497
  465    HA   ALA  60           HA       ALA  60   0.207  -6.220  -3.981
  466   1HB   ALA  60           HB1      ALA  60   1.345  -3.951  -2.602
  467   2HB   ALA  60           HB3      ALA  60   0.020  -4.612  -1.645
  468   3HB   ALA  60           HB2      ALA  60   1.367  -5.647  -2.119
  469    H    THR  61           HN       THR  61  -1.333  -3.013  -3.624
  470    HA   THR  61           HA       THR  61  -3.867  -4.163  -2.668
  471    HB   THR  61           HB       THR  61  -2.953  -1.842  -2.232
  472    HG1  THR  61           HG1      THR  61  -5.281  -2.552  -2.289
  473   1HG2  THR  61          HG21      THR  61  -2.138  -1.484  -4.567
  474   2HG2  THR  61          HG23      THR  61  -3.817  -1.363  -5.094
  475   3HG2  THR  61          HG22      THR  61  -3.152  -0.165  -3.983
  476    H    ALA  62           HN       ALA  62  -2.439  -3.052  -5.694
  477    HA   ALA  62           HA       ALA  62  -4.731  -3.277  -7.377
  478   1HB   ALA  62           HB2      ALA  62  -1.757  -3.676  -7.843
  479   2HB   ALA  62           HB1      ALA  62  -2.939  -3.554  -9.145
  480   3HB   ALA  62           HB3      ALA  62  -2.664  -2.181  -8.072
  481    H    ASP  63           HN       ASP  63  -2.550  -5.592  -5.924
  482    HA   ASP  63           HA       ASP  63  -3.556  -7.823  -7.585
  483   1HB   ASP  63           HB2      ASP  63  -1.238  -7.928  -7.060
  484   2HB   ASP  63           HB1      ASP  63  -1.514  -7.444  -5.386
  485    H    ALA  64           HN       ALA  64  -4.172  -6.257  -4.540
  486    HA   ALA  64           HA       ALA  64  -5.502  -8.492  -3.243
  487   1HB   ALA  64           HB2      ALA  64  -4.615  -5.908  -2.618
  488   2HB   ALA  64           HB1      ALA  64  -6.372  -5.803  -2.501
  489   3HB   ALA  64           HB3      ALA  64  -5.494  -6.988  -1.536
  490    H    GLY  65           HN       GLY  65  -6.254  -6.302  -5.768
  491   1HA   GLY  65           HA2      GLY  65  -8.232  -6.783  -7.160
  492   2HA   GLY  65           HA1      GLY  65  -9.088  -7.201  -5.680
  493    H    TYR  66           HN       TYR  66  -6.944  -4.443  -5.906
  494    HA   TYR  66           HA       TYR  66  -9.325  -2.632  -5.971
  495   1HB   TYR  66           HB2      TYR  66  -7.006  -2.566  -4.017
  496   2HB   TYR  66           HB1      TYR  66  -8.381  -1.470  -4.037
  497    HD1  TYR  66           HD1      TYR  66 -10.681  -3.166  -4.509
  498    HD2  TYR  66           HD2      TYR  66  -7.189  -3.937  -2.100
  499    HE1  TYR  66           HE1      TYR  66 -11.969  -4.786  -3.139
  500    HE2  TYR  66           HE2      TYR  66  -8.489  -5.541  -0.737
  501    HH   TYR  66           HH       TYR  66 -10.624  -6.216  -0.223
  502    HA   PRO  67           HA       PRO  67  -6.306  -1.047  -9.013
  503   1HB   PRO  67           HB2      PRO  67  -8.365   0.831  -9.749
  504   2HB   PRO  67           HB1      PRO  67  -7.791  -0.566 -10.665
  505   1HG   PRO  67           HG2      PRO  67 -10.294  -0.266  -9.280
  506   2HG   PRO  67           HG1      PRO  67  -9.729  -1.650 -10.220
  507   1HD   PRO  67           HD2      PRO  67 -10.029  -1.480  -7.368
  508   2HD   PRO  67           HD1      PRO  67  -9.381  -2.846  -8.310
  509    H    SER  68           HN       SER  68  -4.942   0.024  -7.499
  510    HA   SER  68           HA       SER  68  -5.982   2.569  -6.306
  511   1HB   SER  68           HB2      SER  68  -4.446   2.153  -4.571
  512   2HB   SER  68           HB1      SER  68  -4.975   0.535  -5.024
  513    HG   SER  68           HG       SER  68  -3.113   0.413  -6.365
  514    H    SER  69           HN       SER  69  -3.649   3.858  -5.763
  515    HA   SER  69           HA       SER  69  -1.901   4.115  -8.096
  516   1HB   SER  69           HB2      SER  69  -3.999   5.217  -8.843
  517   2HB   SER  69           HB1      SER  69  -3.966   6.242  -7.411
  518    HG   SER  69           HG       SER  69  -1.854   6.094  -9.299
  519    H    VAL  70           HN       VAL  70   0.043   4.761  -7.177
  520    HA   VAL  70           HA       VAL  70  -0.003   5.776  -4.416
  521    HB   VAL  70           HB       VAL  70   1.422   3.914  -5.036
  522   1HG1  VAL  70          HG12      VAL  70   1.773   5.464  -7.416
  523   2HG1  VAL  70          HG11      VAL  70   3.363   5.187  -6.704
  524   3HG1  VAL  70          HG13      VAL  70   2.322   3.818  -7.097
  525   1HG2  VAL  70          HG22      VAL  70   2.261   5.991  -3.570
  526   2HG2  VAL  70          HG21      VAL  70   3.329   4.640  -3.938
  527   3HG2  VAL  70          HG23      VAL  70   3.431   6.128  -4.880
  528    H    LYS  71           HN       LYS  71   1.391   7.624  -3.815
  529    HA   LYS  71           HA       LYS  71   1.940   9.483  -6.069
  530   1HB   LYS  71           HB2      LYS  71   0.642  11.261  -4.913
  531   2HB   LYS  71           HB1      LYS  71  -0.379   9.878  -5.316
  532   1HG   LYS  71           HG2      LYS  71   0.303   9.030  -2.926
  533   2HG   LYS  71           HG1      LYS  71   0.677  10.729  -2.635
  534   1HD   LYS  71           HD2      LYS  71  -1.844  10.586  -3.975
  535   2HD   LYS  71           HD1      LYS  71  -1.879   9.467  -2.611
  536   1HE   LYS  71           HE2      LYS  71  -0.980  11.345  -1.159
  537   2HE   LYS  71           HE1      LYS  71  -1.252  12.437  -2.532
  538   1HZ   LYS  71           HZ2      LYS  71  -3.556  11.276  -2.585
  539   2HZ   LYS  71           HZ1      LYS  71  -3.218  10.910  -0.961
  540   3HZ   LYS  71           HZ3      LYS  71  -3.279  12.527  -1.469
  541    H    GLN  72           HN       GLN  72   3.766   8.097  -4.435
  542    HA   GLN  72           HA       GLN  72   5.549   8.418  -2.884
  543   1HB   GLN  72           HB2      GLN  72   5.270  10.881  -4.605
  544   2HB   GLN  72           HB1      GLN  72   6.598  10.731  -3.453
  545   1HG   GLN  72           HG2      GLN  72   7.633   9.718  -5.225
  546   2HG   GLN  72           HG1      GLN  72   6.756   8.306  -4.636
  547   1HE2  GLN  72          HE22      GLN  72   5.036   7.996  -7.681
  548   2HE2  GLN  72          HE21      GLN  72   5.757   7.241  -6.342
   
  No H/Q in entry =         548
  Start of MODEL   17
    1   1H    ALA   1           HT1      ALA   1  18.454   1.636   2.005
    2   2H    ALA   1           HT3      ALA   1  19.167   0.455   1.019
    3   3H    ALA   1           HT2      ALA   1  19.192   2.085   0.543
    4    HA   ALA   1           HA       ALA   1  17.176   1.968  -0.391
    5   1HB   ALA   1           HB1      ALA   1  18.166  -0.802   0.084
    6   2HB   ALA   1           HB3      ALA   1  16.502  -0.650  -0.482
    7   3HB   ALA   1           HB2      ALA   1  17.825   0.019  -1.438
    8    H    THR   2           HN       THR   2  15.946   3.061   1.289
    9    HA   THR   2           HA       THR   2  13.977   1.351   2.638
   10    HB   THR   2           HB       THR   2  14.636   3.319   4.485
   11    HG1  THR   2           HG1      THR   2  17.002   2.184   3.424
   12   1HG2  THR   2          HG23      THR   2  15.567   0.448   4.275
   13   2HG2  THR   2          HG22      THR   2  15.665   1.418   5.746
   14   3HG2  THR   2          HG21      THR   2  14.092   1.022   5.052
   15    H    GLN   3           HN       GLN   3  12.555   2.289   1.060
   16    HA   GLN   3           HA       GLN   3  12.232   5.261   1.182
   17   1HB   GLN   3           HB2      GLN   3  10.999   3.455  -0.880
   18   2HB   GLN   3           HB1      GLN   3  11.517   5.129  -1.048
   19   1HG   GLN   3           HG2      GLN   3  13.424   2.810  -0.611
   20   2HG   GLN   3           HG1      GLN   3  13.030   3.475  -2.196
   21   1HE2  GLN   3          HE22      GLN   3  15.250   6.180  -1.863
   22   2HE2  GLN   3          HE21      GLN   3  14.243   5.260  -2.874
   23    H    THR   4           HN       THR   4  10.068   6.133   1.174
   24    HA   THR   4           HA       THR   4   7.917   4.285   2.126
   25    HB   THR   4           HB       THR   4   8.784   6.940   3.326
   26    HG1  THR   4           HG1      THR   4   9.414   5.660   5.052
   27   1HG2  THR   4          HG23      THR   4   6.246   5.951   3.290
   28   2HG2  THR   4          HG22      THR   4   6.877   5.186   4.749
   29   3HG2  THR   4          HG21      THR   4   6.894   6.943   4.596
   30    H    VAL   5           HN       VAL   5   5.869   4.865   1.320
   31    HA   VAL   5           HA       VAL   5   5.564   7.506  -0.056
   32    HB   VAL   5           HB       VAL   5   4.600   6.127  -2.001
   33   1HG1  VAL   5          HG11      VAL   5   7.094   7.131  -1.535
   34   2HG1  VAL   5          HG13      VAL   5   7.469   5.438  -1.849
   35   3HG1  VAL   5          HG12      VAL   5   6.601   6.387  -3.055
   36   1HG2  VAL   5          HG21      VAL   5   4.610   4.022  -0.490
   37   2HG2  VAL   5          HG23      VAL   5   5.150   3.831  -2.158
   38   3HG2  VAL   5          HG22      VAL   5   6.333   3.938  -0.854
   39    H    THR   6           HN       THR   6   3.259   7.846  -0.637
   40    HA   THR   6           HA       THR   6   1.467   6.465   1.307
   41    HB   THR   6           HB       THR   6   1.869   8.984   1.414
   42    HG1  THR   6           HG1      THR   6  -0.152   9.241   2.025
   43   1HG2  THR   6          HG23      THR   6   1.684   8.886  -1.285
   44   2HG2  THR   6          HG22      THR   6   0.033   9.354  -0.881
   45   3HG2  THR   6          HG21      THR   6   1.388  10.350  -0.348
   46    H    LEU   7           HN       LEU   7  -0.594   5.739   0.443
   47    HA   LEU   7           HA       LEU   7  -0.617   5.560  -2.543
   48   1HB   LEU   7           HB2      LEU   7  -0.563   3.529  -0.446
   49   2HB   LEU   7           HB1      LEU   7  -1.941   3.311  -1.519
   50    HG   LEU   7           HG       LEU   7  -0.526   3.216  -3.450
   51   1HD1  LEU   7          HD11      LEU   7   1.632   4.102  -1.539
   52   2HD1  LEU   7          HD13      LEU   7   1.983   3.435  -3.133
   53   3HD1  LEU   7          HD12      LEU   7   1.060   4.925  -2.985
   54   1HD2  LEU   7          HD23      LEU   7  -0.617   1.168  -1.943
   55   2HD2  LEU   7          HD22      LEU   7   0.801   1.249  -2.988
   56   3HD2  LEU   7          HD21      LEU   7   0.937   1.676  -1.283
   57    H    ALA   8           HN       ALA   8  -2.692   5.363  -3.481
   58    HA   ALA   8           HA       ALA   8  -5.008   6.134  -1.740
   59   1HB   ALA   8           HB3      ALA   8  -3.607   7.671  -3.790
   60   2HB   ALA   8           HB2      ALA   8  -5.326   7.514  -4.151
   61   3HB   ALA   8           HB1      ALA   8  -4.807   8.214  -2.618
   62    H    VAL   9           HN       VAL   9  -6.276   4.309  -2.006
   63    HA   VAL   9           HA       VAL   9  -6.577   3.217  -4.782
   64    HB   VAL   9           HB       VAL   9  -7.542   1.878  -2.273
   65   1HG1  VAL   9          HG12      VAL   9  -6.737   1.153  -5.047
   66   2HG1  VAL   9          HG11      VAL   9  -6.406  -0.024  -3.776
   67   3HG1  VAL   9          HG13      VAL   9  -8.057   0.526  -4.059
   68   1HG2  VAL   9          HG23      VAL   9  -4.786   2.653  -2.801
   69   2HG2  VAL   9          HG22      VAL   9  -5.465   1.857  -1.384
   70   3HG2  VAL   9          HG21      VAL   9  -4.956   0.899  -2.773
   71    HA   PRO  10           HA       PRO  10 -10.600   5.324  -4.302
   72   1HB   PRO  10           HB2      PRO  10 -11.002   5.094  -7.097
   73   2HB   PRO  10           HB1      PRO  10 -10.431   6.515  -6.218
   74   1HG   PRO  10           HG2      PRO  10  -8.940   4.781  -7.989
   75   2HG   PRO  10           HG1      PRO  10  -8.408   6.272  -7.208
   76   1HD   PRO  10           HD2      PRO  10  -7.668   3.559  -6.544
   77   2HD   PRO  10           HD1      PRO  10  -7.119   5.065  -5.768
   78    H    GLY  11           HN       GLY  11  -9.886   2.137  -4.751
   79   1HA   GLY  11           HA2      GLY  11 -12.622   1.416  -5.695
   80   2HA   GLY  11           HA1      GLY  11 -11.243   0.318  -5.675
   81    H    MET  12           HN       MET  12 -10.926   1.854  -2.846
   82    HA   MET  12           HA       MET  12 -12.258  -0.339  -1.352
   83   1HB   MET  12           HB2      MET  12 -10.679   1.823  -0.019
   84   2HB   MET  12           HB1      MET  12 -10.660   0.086   0.271
   85   1HG   MET  12           HG2      MET  12  -9.330   1.589  -1.992
   86   2HG   MET  12           HG1      MET  12  -8.551   0.635  -0.734
   87   1HE   MET  12           HE1      MET  12  -9.303  -1.777  -0.255
   88   2HE   MET  12           HE3      MET  12 -10.999  -1.711  -0.747
   89   3HE   MET  12           HE2      MET  12  -9.923  -2.919  -1.441
   90    H    THR  13           HN       THR  13 -13.769   0.103   0.382
   91    HA   THR  13           HA       THR  13 -14.570   2.751   1.161
   92    HB   THR  13           HB       THR  13 -15.261   2.818  -1.205
   93    HG1  THR  13           HG1      THR  13 -16.581   3.721   0.564
   94   1HG2  THR  13          HG21      THR  13 -16.296   0.163  -0.498
   95   2HG2  THR  13          HG23      THR  13 -17.440   1.149  -1.407
   96   3HG2  THR  13          HG22      THR  13 -15.843   0.811  -2.075
   97    H    CYS  14           HN       CYS  14 -14.193   0.271   2.598
   98    HA   CYS  14           HA       CYS  14 -16.552   0.216   4.205
   99   1HB   CYS  14           HB2      CYS  14 -17.927  -1.104   2.988
  100   2HB   CYS  14           HB1      CYS  14 -16.732  -1.129   1.701
  101    H    ALA  15           HN       ALA  15 -16.388  -1.560   5.889
  102    HA   ALA  15           HA       ALA  15 -13.631  -1.983   6.677
  103   1HB   ALA  15           HB3      ALA  15 -16.181  -2.019   7.811
  104   2HB   ALA  15           HB2      ALA  15 -15.637  -3.691   7.938
  105   3HB   ALA  15           HB1      ALA  15 -14.674  -2.394   8.647
  106    H    ALA  16           HN       ALA  16 -12.895  -3.173   4.651
  107    HA   ALA  16           HA       ALA  16 -12.706  -5.983   5.085
  108   1HB   ALA  16           HB3      ALA  16 -14.991  -4.949   3.477
  109   2HB   ALA  16           HB2      ALA  16 -14.196  -6.409   2.897
  110   3HB   ALA  16           HB1      ALA  16 -14.905  -6.372   4.511
  111    H    CYS  17           HN       CYS  17 -13.122  -3.827   2.225
  112    HA   CYS  17           HA       CYS  17 -10.823  -5.116   0.909
  113   1HB   CYS  17           HB2      CYS  17 -12.395  -2.725  -0.063
  114   2HB   CYS  17           HB1      CYS  17 -11.578  -3.952  -1.015
  115    HA   PRO  18           HA       PRO  18  -9.207  -0.500   1.360
  116   1HB   PRO  18           HB2      PRO  18 -10.311   0.043   4.038
  117   2HB   PRO  18           HB1      PRO  18 -10.258   1.106   2.625
  118   1HG   PRO  18           HG2      PRO  18 -12.539  -0.063   3.594
  119   2HG   PRO  18           HG1      PRO  18 -12.332   0.445   1.917
  120   1HD   PRO  18           HD2      PRO  18 -12.422  -2.300   3.020
  121   2HD   PRO  18           HD1      PRO  18 -12.652  -1.749   1.345
  122    H    ILE  19           HN       ILE  19  -9.949  -2.170   4.421
  123    HA   ILE  19           HA       ILE  19  -7.370  -2.020   5.615
  124    HB   ILE  19           HB       ILE  19  -9.631  -4.035   5.775
  125   1HG1  ILE  19          HG12      ILE  19  -8.774  -1.695   7.508
  126   2HG1  ILE  19          HG11      ILE  19 -10.229  -1.791   6.515
  127   1HG2  ILE  19          HG23      ILE  19  -7.005  -3.873   7.215
  128   2HG2  ILE  19          HG22      ILE  19  -8.427  -4.426   8.099
  129   3HG2  ILE  19          HG21      ILE  19  -7.889  -5.294   6.662
  130   1HD1  ILE  19          HD13      ILE  19  -9.909  -4.025   8.414
  131   2HD1  ILE  19          HD12      ILE  19 -10.128  -2.449   9.174
  132   3HD1  ILE  19          HD11      ILE  19 -11.336  -3.058   8.043
  133    H    THR  20           HN       THR  20  -8.582  -4.081   3.037
  134    HA   THR  20           HA       THR  20  -6.672  -6.217   3.229
  135    HB   THR  20           HB       THR  20  -8.061  -5.070   0.777
  136    HG1  THR  20           HG1      THR  20  -9.039  -7.223   2.259
  137   1HG2  THR  20          HG22      THR  20  -6.250  -6.767   0.414
  138   2HG2  THR  20          HG21      THR  20  -7.178  -7.896   1.400
  139   3HG2  THR  20          HG23      THR  20  -7.843  -7.301  -0.122
  140    H    VAL  21           HN       VAL  21  -6.596  -2.982   1.968
  141    HA   VAL  21           HA       VAL  21  -4.248  -3.254   0.341
  142    HB   VAL  21           HB       VAL  21  -5.389  -0.829   1.772
  143   1HG1  VAL  21          HG11      VAL  21  -3.107  -1.178   0.121
  144   2HG1  VAL  21          HG13      VAL  21  -4.316  -0.346  -0.857
  145   3HG1  VAL  21          HG12      VAL  21  -3.803   0.342   0.684
  146   1HG2  VAL  21          HG21      VAL  21  -6.773  -2.438   0.045
  147   2HG2  VAL  21          HG23      VAL  21  -7.056  -0.706   0.219
  148   3HG2  VAL  21          HG22      VAL  21  -6.022  -1.304  -1.079
  149    H    LYS  22           HN       LYS  22  -4.928  -2.802   3.740
  150    HA   LYS  22           HA       LYS  22  -2.318  -1.879   4.543
  151   1HB   LYS  22           HB2      LYS  22  -4.358  -1.676   5.938
  152   2HB   LYS  22           HB1      LYS  22  -4.479  -3.434   6.012
  153   1HG   LYS  22           HG2      LYS  22  -2.822  -3.615   7.561
  154   2HG   LYS  22           HG1      LYS  22  -1.845  -2.360   6.800
  155   1HD   LYS  22           HD2      LYS  22  -3.271  -0.622   7.777
  156   2HD   LYS  22           HD1      LYS  22  -4.306  -1.856   8.497
  157   1HE   LYS  22           HE2      LYS  22  -1.927  -2.681   9.479
  158   2HE   LYS  22           HE1      LYS  22  -1.596  -0.943   9.338
  159   1HZ   LYS  22           HZ2      LYS  22  -4.210  -1.223  10.269
  160   2HZ   LYS  22           HZ1      LYS  22  -3.248  -2.259  11.210
  161   3HZ   LYS  22           HZ3      LYS  22  -2.869  -0.610  11.112
  162    H    LYS  23           HN       LYS  23  -3.924  -5.038   4.353
  163    HA   LYS  23           HA       LYS  23  -1.674  -6.545   5.273
  164   1HB   LYS  23           HB2      LYS  23  -4.264  -7.039   3.879
  165   2HB   LYS  23           HB1      LYS  23  -3.071  -8.339   3.866
  166   1HG   LYS  23           HG2      LYS  23  -4.616  -8.500   5.815
  167   2HG   LYS  23           HG1      LYS  23  -2.934  -8.283   6.307
  168   1HD   LYS  23           HD2      LYS  23  -3.268  -6.072   6.962
  169   2HD   LYS  23           HD1      LYS  23  -4.671  -5.866   5.913
  170   1HE   LYS  23           HE2      LYS  23  -5.515  -6.008   8.173
  171   2HE   LYS  23           HE1      LYS  23  -5.865  -7.575   7.414
  172   1HZ   LYS  23           HZ2      LYS  23  -3.246  -7.196   8.669
  173   2HZ   LYS  23           HZ1      LYS  23  -4.581  -7.438   9.691
  174   3HZ   LYS  23           HZ3      LYS  23  -4.183  -8.607   8.528
  175    H    ALA  24           HN       ALA  24  -2.650  -5.298   2.192
  176    HA   ALA  24           HA       ALA  24  -1.052  -6.831   0.442
  177   1HB   ALA  24           HB1      ALA  24  -2.818  -4.718   0.310
  178   2HB   ALA  24           HB3      ALA  24  -1.296  -3.964  -0.166
  179   3HB   ALA  24           HB2      ALA  24  -1.911  -5.352  -1.063
  180    H    LEU  25           HN       LEU  25  -0.317  -3.802   2.188
  181    HA   LEU  25           HA       LEU  25   2.366  -3.502   1.177
  182   1HB   LEU  25           HB2      LEU  25   1.241  -2.615   3.848
  183   2HB   LEU  25           HB1      LEU  25   2.518  -1.838   2.917
  184    HG   LEU  25           HG       LEU  25   0.073  -2.149   1.362
  185   1HD1  LEU  25          HD11      LEU  25  -0.624  -1.844   3.883
  186   2HD1  LEU  25          HD13      LEU  25  -0.136  -0.173   3.610
  187   3HD1  LEU  25          HD12      LEU  25  -1.418  -0.886   2.632
  188   1HD2  LEU  25          HD21      LEU  25   2.294  -0.376   1.687
  189   2HD2  LEU  25          HD23      LEU  25   1.077  -0.367   0.411
  190   3HD2  LEU  25          HD22      LEU  25   0.816   0.564   1.886
  191    H    SER  26           HN       SER  26   1.094  -4.865   4.224
  192    HA   SER  26           HA       SER  26   3.640  -5.665   5.285
  193   1HB   SER  26           HB2      SER  26   1.361  -5.357   6.433
  194   2HB   SER  26           HB1      SER  26   0.930  -6.934   5.778
  195    HG   SER  26           HG       SER  26   2.129  -7.829   7.251
  196    H    LYS  27           HN       LYS  27   1.759  -6.833   2.695
  197    HA   LYS  27           HA       LYS  27   3.049  -9.505   2.864
  198   1HB   LYS  27           HB2      LYS  27   0.498  -8.425   1.730
  199   2HB   LYS  27           HB1      LYS  27   1.186  -9.882   1.018
  200   1HG   LYS  27           HG2      LYS  27  -0.495 -10.181   2.965
  201   2HG   LYS  27           HG1      LYS  27   1.008 -11.099   3.034
  202   1HD   LYS  27           HD2      LYS  27   1.944  -9.692   4.670
  203   2HD   LYS  27           HD1      LYS  27   0.824  -8.377   4.310
  204   1HE   LYS  27           HE2      LYS  27  -0.066  -9.258   6.311
  205   2HE   LYS  27           HE1      LYS  27  -1.022 -10.097   5.074
  206   1HZ   LYS  27           HZ3      LYS  27   1.185 -11.623   5.207
  207   2HZ   LYS  27           HZ2      LYS  27   1.035 -11.134   6.827
  208   3HZ   LYS  27           HZ1      LYS  27  -0.245 -11.944   6.059
  209    H    VAL  28           HN       VAL  28   3.207  -6.534   1.292
  210    HA   VAL  28           HA       VAL  28   3.765  -7.049  -1.396
  211    HB   VAL  28           HB       VAL  28   4.646  -5.128   0.712
  212   1HG1  VAL  28          HG12      VAL  28   6.123  -5.577  -1.874
  213   2HG1  VAL  28          HG11      VAL  28   5.998  -3.953  -1.197
  214   3HG1  VAL  28          HG13      VAL  28   6.775  -5.238  -0.271
  215   1HG2  VAL  28          HG21      VAL  28   3.359  -4.965  -2.020
  216   2HG2  VAL  28          HG23      VAL  28   2.614  -4.644  -0.454
  217   3HG2  VAL  28          HG22      VAL  28   3.824  -3.535  -1.098
  218    H    GLU  29           HN       GLU  29   6.168  -6.968   1.242
  219    HA   GLU  29           HA       GLU  29   7.553  -9.316   0.981
  220   1HB   GLU  29           HB2      GLU  29   7.806  -7.661  -1.435
  221   2HB   GLU  29           HB1      GLU  29   9.361  -8.151  -0.768
  222   1HG   GLU  29           HG2      GLU  29   7.826 -10.451  -0.567
  223   2HG   GLU  29           HG1      GLU  29   7.341  -9.767  -2.119
  224    H    GLY  30           HN       GLY  30   9.175  -6.323   0.042
  225   1HA   GLY  30           HA2      GLY  30  10.903  -6.472   2.384
  226   2HA   GLY  30           HA1      GLY  30  10.992  -5.258   1.113
  227    H    VAL  31           HN       VAL  31   7.852  -5.129   1.868
  228    HA   VAL  31           HA       VAL  31   7.798  -2.634   3.101
  229    HB   VAL  31           HB       VAL  31   6.019  -5.047   3.113
  230   1HG1  VAL  31          HG11      VAL  31   5.942  -2.848   5.092
  231   2HG1  VAL  31          HG13      VAL  31   4.414  -3.154   4.266
  232   3HG1  VAL  31          HG12      VAL  31   5.206  -4.450   5.162
  233   1HG2  VAL  31          HG21      VAL  31   6.013  -2.233   2.048
  234   2HG2  VAL  31          HG23      VAL  31   5.803  -3.747   1.171
  235   3HG2  VAL  31          HG22      VAL  31   4.499  -3.125   2.182
  236    H    SER  32           HN       SER  32   8.648  -1.919   4.925
  237    HA   SER  32           HA       SER  32   9.213  -3.858   7.130
  238   1HB   SER  32           HB2      SER  32  11.251  -2.900   6.742
  239   2HB   SER  32           HB1      SER  32  10.536  -1.532   5.895
  240    HG   SER  32           HG       SER  32  11.583  -1.209   8.069
  241    H    LYS  33           HN       LYS  33   7.182  -1.286   6.229
  242    HA   LYS  33           HA       LYS  33   6.071  -1.184   8.972
  243   1HB   LYS  33           HB2      LYS  33   7.378   0.587   9.515
  244   2HB   LYS  33           HB1      LYS  33   7.921   0.783   7.854
  245   1HG   LYS  33           HG2      LYS  33   5.912   2.063   7.307
  246   2HG   LYS  33           HG1      LYS  33   5.264   1.784   8.924
  247   1HD   LYS  33           HD2      LYS  33   7.863   2.829   9.296
  248   2HD   LYS  33           HD1      LYS  33   7.112   3.823   8.048
  249   1HE   LYS  33           HE2      LYS  33   6.382   4.889  10.012
  250   2HE   LYS  33           HE1      LYS  33   5.035   3.776   9.699
  251   1HZ   LYS  33           HZ3      LYS  33   7.283   2.615  11.107
  252   2HZ   LYS  33           HZ2      LYS  33   6.449   3.809  11.982
  253   3HZ   LYS  33           HZ1      LYS  33   5.620   2.446  11.396
  254    H    VAL  34           HN       VAL  34   3.968   0.024   8.991
  255    HA   VAL  34           HA       VAL  34   2.844   0.661   6.317
  256    HB   VAL  34           HB       VAL  34   1.608  -1.374   8.191
  257   1HG1  VAL  34          HG11      VAL  34   0.481   0.065   6.145
  258   2HG1  VAL  34          HG13      VAL  34   1.025  -1.383   5.299
  259   3HG1  VAL  34          HG12      VAL  34  -0.076  -1.524   6.670
  260   1HG2  VAL  34          HG23      VAL  34   3.381  -1.757   5.759
  261   2HG2  VAL  34          HG22      VAL  34   3.719  -2.280   7.408
  262   3HG2  VAL  34          HG21      VAL  34   2.422  -3.044   6.490
  263    H    ASP  35           HN       ASP  35   0.928   1.927   6.443
  264    HA   ASP  35           HA       ASP  35  -0.375   2.565   8.968
  265   1HB   ASP  35           HB2      ASP  35   1.634   3.827   9.356
  266   2HB   ASP  35           HB1      ASP  35   1.662   4.415   7.693
  267    H    VAL  36           HN       VAL  36  -2.110   1.922   7.428
  268    HA   VAL  36           HA       VAL  36  -2.656   3.929   5.280
  269    HB   VAL  36           HB       VAL  36  -3.845   2.140   4.222
  270   1HG1  VAL  36          HG12      VAL  36  -1.184   1.954   4.815
  271   2HG1  VAL  36          HG11      VAL  36  -1.775   0.418   5.449
  272   3HG1  VAL  36          HG13      VAL  36  -2.035   0.832   3.755
  273   1HG2  VAL  36          HG21      VAL  36  -4.298   1.328   6.945
  274   2HG2  VAL  36          HG23      VAL  36  -5.091   0.748   5.480
  275   3HG2  VAL  36          HG22      VAL  36  -3.609  -0.021   6.046
  276    H    GLY  37           HN       GLY  37  -5.313   3.488   4.895
  277   1HA   GLY  37           HA2      GLY  37  -6.771   3.836   7.429
  278   2HA   GLY  37           HA1      GLY  37  -6.760   5.234   6.350
  279    H    PHE  38           HN       PHE  38  -7.992   2.018   6.842
  280    HA   PHE  38           HA       PHE  38  -8.995   1.227   4.412
  281   1HB   PHE  38           HB2      PHE  38 -10.962   0.402   5.933
  282   2HB   PHE  38           HB1      PHE  38  -9.330  -0.170   6.260
  283    HD1  PHE  38           HD2      PHE  38 -10.156   3.330   7.023
  284    HD2  PHE  38           HD1      PHE  38  -9.971  -0.657   8.613
  285    HE1  PHE  38           HE2      PHE  38 -10.296   4.238   9.322
  286    HE2  PHE  38           HE1      PHE  38 -10.109   0.254  10.909
  287    HZ   PHE  38           HZ       PHE  38 -10.271   2.701  11.266
  288    H    GLU  39           HN       GLU  39 -11.728   2.146   6.273
  289    HA   GLU  39           HA       GLU  39 -13.677   3.077   5.018
  290   1HB   GLU  39           HB2      GLU  39 -12.064   4.476   7.004
  291   2HB   GLU  39           HB1      GLU  39 -13.044   5.585   6.045
  292   1HG   GLU  39           HG2      GLU  39 -14.278   3.072   7.139
  293   2HG   GLU  39           HG1      GLU  39 -14.090   4.483   8.182
  294    H    LYS  40           HN       LYS  40 -11.261   5.691   4.900
  295    HA   LYS  40           HA       LYS  40 -12.229   6.748   2.421
  296   1HB   LYS  40           HB2      LYS  40 -10.274   7.278   4.430
  297   2HB   LYS  40           HB1      LYS  40  -9.448   7.330   2.873
  298   1HG   LYS  40           HG2      LYS  40 -10.299   9.384   2.547
  299   2HG   LYS  40           HG1      LYS  40 -11.903   8.655   2.472
  300   1HD   LYS  40           HD2      LYS  40 -12.108  10.242   4.204
  301   2HD   LYS  40           HD1      LYS  40 -11.823   8.729   5.067
  302   1HE   LYS  40           HE2      LYS  40  -9.292   9.962   4.365
  303   2HE   LYS  40           HE1      LYS  40 -10.302  11.091   5.291
  304   1HZ   LYS  40           HZ1      LYS  40 -10.833   8.983   6.677
  305   2HZ   LYS  40           HZ3      LYS  40  -9.378   8.394   6.035
  306   3HZ   LYS  40           HZ2      LYS  40  -9.380   9.819   6.959
  307    H    ARG  41           HN       ARG  41  -8.890   5.640   2.733
  308    HA   ARG  41           HA       ARG  41  -8.445   3.351   1.462
  309   1HB   ARG  41           HB2      ARG  41  -8.534   3.825  -1.007
  310   2HB   ARG  41           HB1      ARG  41 -10.111   3.712  -0.239
  311   1HG   ARG  41           HG2      ARG  41 -10.542   5.735  -1.179
  312   2HG   ARG  41           HG1      ARG  41  -9.446   6.401   0.033
  313   1HD   ARG  41           HD2      ARG  41  -7.815   5.343  -2.037
  314   2HD   ARG  41           HD1      ARG  41  -9.082   6.295  -2.825
  315    HE   ARG  41           HE       ARG  41  -6.902   7.369  -1.322
  316   1HH1  ARG  41          HH21      ARG  41 -10.341   7.670  -1.593
  317   2HH1  ARG  41          HH22      ARG  41 -10.393   9.181  -0.755
  318   1HH2  ARG  41          HH11      ARG  41  -6.970   9.347  -0.259
  319   2HH2  ARG  41          HH12      ARG  41  -8.494  10.133  -0.011
  320    H    GLU  42           HN       GLU  42  -6.691   4.729   2.780
  321    HA   GLU  42           HA       GLU  42  -4.749   5.698   0.703
  322   1HB   GLU  42           HB2      GLU  42  -5.767   6.979   3.222
  323   2HB   GLU  42           HB1      GLU  42  -4.109   7.310   2.721
  324   1HG   GLU  42           HG2      GLU  42  -5.061   7.863   0.417
  325   2HG   GLU  42           HG1      GLU  42  -6.652   7.848   1.180
  326    H    ALA  43           HN       ALA  43  -3.018   4.292   0.799
  327    HA   ALA  43           HA       ALA  43  -2.349   3.104   3.456
  328   1HB   ALA  43           HB1      ALA  43  -2.102   2.249   0.586
  329   2HB   ALA  43           HB3      ALA  43  -1.124   1.468   1.829
  330   3HB   ALA  43           HB2      ALA  43  -2.884   1.407   1.923
  331    H    VAL  44           HN       VAL  44  -0.625   4.107   4.427
  332    HA   VAL  44           HA       VAL  44   1.544   5.199   2.672
  333    HB   VAL  44           HB       VAL  44   0.409   5.845   5.380
  334   1HG1  VAL  44          HG12      VAL  44   3.227   6.400   4.435
  335   2HG1  VAL  44          HG11      VAL  44   2.436   7.382   5.668
  336   3HG1  VAL  44          HG13      VAL  44   2.718   5.665   5.955
  337   1HG2  VAL  44          HG23      VAL  44  -0.344   7.052   3.349
  338   2HG2  VAL  44          HG22      VAL  44   0.481   8.129   4.476
  339   3HG2  VAL  44          HG21      VAL  44   1.321   7.544   3.039
  340    H    VAL  45           HN       VAL  45   3.373   3.961   2.612
  341    HA   VAL  45           HA       VAL  45   3.909   2.202   4.986
  342    HB   VAL  45           HB       VAL  45   2.628   1.241   2.979
  343   1HG1  VAL  45          HG12      VAL  45   4.679   2.383   1.550
  344   2HG1  VAL  45          HG11      VAL  45   5.164   0.689   1.614
  345   3HG1  VAL  45          HG13      VAL  45   3.595   1.132   0.941
  346   1HG2  VAL  45          HG23      VAL  45   5.179   0.038   4.065
  347   2HG2  VAL  45          HG22      VAL  45   3.521  -0.295   4.568
  348   3HG2  VAL  45          HG21      VAL  45   4.099  -0.863   3.002
  349    H    THR  46           HN       THR  46   6.052   1.341   5.082
  350    HA   THR  46           HA       THR  46   8.161   2.896   3.612
  351    HB   THR  46           HB       THR  46   7.830   2.001   6.481
  352    HG1  THR  46           HG1      THR  46   7.306   4.088   6.204
  353   1HG2  THR  46          HG22      THR  46  10.412   2.563   5.005
  354   2HG2  THR  46          HG21      THR  46  10.277   2.632   6.762
  355   3HG2  THR  46          HG23      THR  46   9.985   1.114   5.914
  356    H    PHE  47           HN       PHE  47  10.106   1.535   3.179
  357    HA   PHE  47           HA       PHE  47  10.043  -1.295   3.798
  358   1HB   PHE  47           HB2      PHE  47   9.493  -2.057   1.522
  359   2HB   PHE  47           HB1      PHE  47   8.183  -1.065   2.165
  360    HD1  PHE  47           HD2      PHE  47  11.097  -1.092  -0.151
  361    HD2  PHE  47           HD1      PHE  47   7.663   1.097   1.241
  362    HE1  PHE  47           HE2      PHE  47  11.335   0.483  -2.037
  363    HE2  PHE  47           HE1      PHE  47   7.907   2.672  -0.658
  364    HZ   PHE  47           HZ       PHE  47   9.744   2.365  -2.297
  365    H    ASP  48           HN       ASP  48  11.542  -2.413   2.003
  366    HA   ASP  48           HA       ASP  48  13.958  -0.685   1.790
  367   1HB   ASP  48           HB2      ASP  48  13.522  -3.691   1.891
  368   2HB   ASP  48           HB1      ASP  48  15.099  -2.949   1.618
  369    H    ASP  49           HN       ASP  49  14.383   0.000  -0.284
  370    HA   ASP  49           HA       ASP  49  12.723  -0.929  -2.463
  371   1HB   ASP  49           HB2      ASP  49  13.739   0.806  -3.657
  372   2HB   ASP  49           HB1      ASP  49  13.935   1.349  -1.992
  373    H    THR  50           HN       THR  50  15.226  -2.525  -1.028
  374    HA   THR  50           HA       THR  50  16.651  -3.482  -3.393
  375    HB   THR  50           HB       THR  50  17.564  -5.087  -1.637
  376    HG1  THR  50           HG1      THR  50  15.932  -5.223  -0.199
  377   1HG2  THR  50          HG23      THR  50  17.772  -2.184  -1.772
  378   2HG2  THR  50          HG22      THR  50  18.146  -2.794  -0.161
  379   3HG2  THR  50          HG21      THR  50  19.044  -3.386  -1.559
  380    H    LYS  51           HN       LYS  51  13.838  -4.462  -1.522
  381    HA   LYS  51           HA       LYS  51  13.556  -6.864  -3.290
  382   1HB   LYS  51           HB2      LYS  51  13.200  -6.382  -0.366
  383   2HB   LYS  51           HB1      LYS  51  12.119  -7.544  -1.138
  384   1HG   LYS  51           HG2      LYS  51  14.102  -8.735  -2.057
  385   2HG   LYS  51           HG1      LYS  51  15.149  -7.610  -1.190
  386   1HD   LYS  51           HD2      LYS  51  13.102  -9.451   0.083
  387   2HD   LYS  51           HD1      LYS  51  14.850  -9.692   0.099
  388   1HE   LYS  51           HE2      LYS  51  14.926  -7.292   1.154
  389   2HE   LYS  51           HE1      LYS  51  13.223  -7.608   1.544
  390   1HZ   LYS  51           HZ2      LYS  51  15.373  -9.572   2.092
  391   2HZ   LYS  51           HZ1      LYS  51  14.901  -8.407   3.234
  392   3HZ   LYS  51           HZ3      LYS  51  13.785  -9.565   2.696
  393    H    ALA  52           HN       ALA  52  12.126  -3.965  -2.123
  394    HA   ALA  52           HA       ALA  52   9.650  -4.557  -3.689
  395   1HB   ALA  52           HB3      ALA  52   9.979  -3.734  -0.815
  396   2HB   ALA  52           HB2      ALA  52   8.541  -3.227  -1.702
  397   3HB   ALA  52           HB1      ALA  52   8.896  -4.943  -1.505
  398    H    SER  53           HN       SER  53   8.337  -2.198  -3.417
  399    HA   SER  53           HA       SER  53   9.959   0.178  -3.497
  400   1HB   SER  53           HB2      SER  53  10.264  -1.522  -5.680
  401   2HB   SER  53           HB1      SER  53   9.128  -0.307  -6.256
  402    HG   SER  53           HG       SER  53  11.634  -0.002  -6.226
  403    H    VAL  54           HN       VAL  54   8.663   2.059  -4.167
  404    HA   VAL  54           HA       VAL  54   6.063   2.236  -3.302
  405    HB   VAL  54           HB       VAL  54   5.985   4.234  -4.684
  406   1HG1  VAL  54          HG13      VAL  54   7.782   3.896  -2.807
  407   2HG1  VAL  54          HG12      VAL  54   8.918   3.911  -4.154
  408   3HG1  VAL  54          HG11      VAL  54   7.886   5.309  -3.858
  409   1HG2  VAL  54          HG22      VAL  54   8.173   2.849  -6.248
  410   2HG2  VAL  54          HG21      VAL  54   6.580   3.328  -6.836
  411   3HG2  VAL  54          HG23      VAL  54   7.779   4.559  -6.440
  412    H    GLN  55           HN       GLN  55   7.139   1.308  -6.576
  413    HA   GLN  55           HA       GLN  55   4.560   1.027  -7.767
  414   1HB   GLN  55           HB2      GLN  55   6.571   1.052  -9.093
  415   2HB   GLN  55           HB1      GLN  55   7.255  -0.299  -8.187
  416   1HG   GLN  55           HG2      GLN  55   5.762  -1.855  -9.149
  417   2HG   GLN  55           HG1      GLN  55   4.666  -0.589  -9.705
  418   1HE2  GLN  55          HE22      GLN  55   8.046  -0.153 -11.859
  419   2HE2  GLN  55          HE21      GLN  55   7.968   0.254 -10.215
  420    H    LYS  56           HN       LYS  56   6.638  -1.305  -6.048
  421    HA   LYS  56           HA       LYS  56   4.889  -3.559  -6.277
  422   1HB   LYS  56           HB2      LYS  56   7.425  -3.093  -5.459
  423   2HB   LYS  56           HB1      LYS  56   6.636  -3.239  -3.888
  424   1HG   LYS  56           HG2      LYS  56   6.423  -5.471  -4.114
  425   2HG   LYS  56           HG1      LYS  56   5.718  -5.300  -5.722
  426   1HD   LYS  56           HD2      LYS  56   8.163  -4.789  -6.480
  427   2HD   LYS  56           HD1      LYS  56   8.617  -5.550  -4.954
  428   1HE   LYS  56           HE2      LYS  56   6.614  -7.009  -6.615
  429   2HE   LYS  56           HE1      LYS  56   8.290  -6.994  -7.201
  430   1HZ   LYS  56           HZ1      LYS  56   8.032  -7.364  -4.350
  431   2HZ   LYS  56           HZ3      LYS  56   7.365  -8.631  -5.260
  432   3HZ   LYS  56           HZ2      LYS  56   8.996  -8.202  -5.469
  433    H    LEU  57           HN       LEU  57   4.836  -0.779  -4.095
  434    HA   LEU  57           HA       LEU  57   3.159  -2.080  -2.082
  435   1HB   LEU  57           HB2      LEU  57   3.502   0.872  -2.696
  436   2HB   LEU  57           HB1      LEU  57   3.054   0.151  -1.152
  437    HG   LEU  57           HG       LEU  57   5.706  -0.388  -2.517
  438   1HD1  LEU  57          HD12      LEU  57   4.864   2.033  -1.452
  439   2HD1  LEU  57          HD11      LEU  57   5.748   1.276  -0.128
  440   3HD1  LEU  57          HD13      LEU  57   6.539   1.527  -1.680
  441   1HD2  LEU  57          HD21      LEU  57   4.444  -1.069   0.117
  442   2HD2  LEU  57          HD23      LEU  57   5.425  -2.081  -0.944
  443   3HD2  LEU  57          HD22      LEU  57   6.190  -0.835   0.042
  444    H    THR  58           HN       THR  58   2.587   0.358  -4.625
  445    HA   THR  58           HA       THR  58  -0.291   0.314  -4.441
  446    HB   THR  58           HB       THR  58   1.109   0.905  -7.007
  447    HG1  THR  58           HG1      THR  58   2.387   2.369  -6.200
  448   1HG2  THR  58          HG22      THR  58  -0.871   2.376  -5.247
  449   2HG2  THR  58          HG21      THR  58  -0.261   2.996  -6.781
  450   3HG2  THR  58          HG23      THR  58  -1.225   1.520  -6.748
  451    H    LYS  59           HN       LYS  59   2.098  -1.766  -5.801
  452    HA   LYS  59           HA       LYS  59   0.312  -3.063  -7.734
  453   1HB   LYS  59           HB2      LYS  59   2.764  -2.769  -8.063
  454   2HB   LYS  59           HB1      LYS  59   3.057  -3.782  -6.648
  455   1HG   LYS  59           HG2      LYS  59   3.182  -5.410  -8.266
  456   2HG   LYS  59           HG1      LYS  59   1.439  -5.438  -7.995
  457   1HD   LYS  59           HD2      LYS  59   1.900  -3.357  -9.848
  458   2HD   LYS  59           HD1      LYS  59   2.883  -4.718 -10.391
  459   1HE   LYS  59           HE2      LYS  59   0.683  -6.110  -9.890
  460   2HE   LYS  59           HE1      LYS  59  -0.101  -4.533 -10.113
  461   1HZ   LYS  59           HZ2      LYS  59   1.362  -4.318 -12.151
  462   2HZ   LYS  59           HZ1      LYS  59   1.661  -5.985 -12.001
  463   3HZ   LYS  59           HZ3      LYS  59   0.080  -5.428 -12.263
  464    H    ALA  60           HN       ALA  60   1.346  -3.420  -4.397
  465    HA   ALA  60           HA       ALA  60   0.526  -6.192  -4.094
  466   1HB   ALA  60           HB3      ALA  60   1.689  -4.053  -2.558
  467   2HB   ALA  60           HB2      ALA  60   0.341  -4.729  -1.645
  468   3HB   ALA  60           HB1      ALA  60   1.660  -5.774  -2.173
  469    H    THR  61           HN       THR  61  -1.033  -3.036  -3.505
  470    HA   THR  61           HA       THR  61  -3.539  -4.288  -2.627
  471    HB   THR  61           HB       THR  61  -2.705  -2.038  -1.930
  472    HG1  THR  61           HG1      THR  61  -4.843  -1.007  -2.845
  473   1HG2  THR  61          HG22      THR  61  -1.818  -1.530  -4.281
  474   2HG2  THR  61          HG21      THR  61  -3.480  -1.108  -4.694
  475   3HG2  THR  61          HG23      THR  61  -2.626  -0.206  -3.443
  476    H    ALA  62           HN       ALA  62  -2.173  -2.853  -5.552
  477    HA   ALA  62           HA       ALA  62  -4.492  -2.990  -7.208
  478   1HB   ALA  62           HB2      ALA  62  -1.526  -3.279  -7.807
  479   2HB   ALA  62           HB1      ALA  62  -2.761  -2.962  -9.023
  480   3HB   ALA  62           HB3      ALA  62  -2.429  -1.766  -7.770
  481    H    ASP  63           HN       ASP  63  -2.236  -5.358  -5.981
  482    HA   ASP  63           HA       ASP  63  -3.084  -7.472  -7.849
  483   1HB   ASP  63           HB2      ASP  63  -0.786  -7.367  -7.001
  484   2HB   ASP  63           HB1      ASP  63  -1.373  -7.408  -5.339
  485    H    ALA  64           HN       ALA  64  -3.903  -6.237  -4.672
  486    HA   ALA  64           HA       ALA  64  -5.359  -8.590  -3.779
  487   1HB   ALA  64           HB2      ALA  64  -4.549  -6.003  -2.833
  488   2HB   ALA  64           HB1      ALA  64  -6.287  -6.168  -2.578
  489   3HB   ALA  64           HB3      ALA  64  -5.177  -7.354  -1.889
  490    H    GLY  65           HN       GLY  65  -5.902  -6.105  -6.046
  491   1HA   GLY  65           HA2      GLY  65  -7.832  -6.316  -7.561
  492   2HA   GLY  65           HA1      GLY  65  -8.779  -6.854  -6.175
  493    H    TYR  66           HN       TYR  66  -6.491  -4.204  -6.050
  494    HA   TYR  66           HA       TYR  66  -8.780  -2.282  -5.896
  495   1HB   TYR  66           HB2      TYR  66  -6.417  -2.590  -4.011
  496   2HB   TYR  66           HB1      TYR  66  -7.681  -1.372  -3.875
  497    HD1  TYR  66           HD1      TYR  66 -10.092  -2.857  -4.595
  498    HD2  TYR  66           HD2      TYR  66  -6.755  -4.061  -2.166
  499    HE1  TYR  66           HE1      TYR  66 -11.540  -4.484  -3.407
  500    HE2  TYR  66           HE2      TYR  66  -8.204  -5.685  -0.984
  501    HH   TYR  66           HH       TYR  66 -10.218  -6.822  -1.162
  502    HA   PRO  67           HA       PRO  67  -5.539  -0.875  -8.911
  503   1HB   PRO  67           HB2      PRO  67  -7.714   0.775  -9.912
  504   2HB   PRO  67           HB1      PRO  67  -6.856  -0.533 -10.733
  505   1HG   PRO  67           HG2      PRO  67  -9.516  -0.591  -9.697
  506   2HG   PRO  67           HG1      PRO  67  -8.619  -1.924 -10.431
  507   1HD   PRO  67           HD2      PRO  67  -9.351  -1.609  -7.660
  508   2HD   PRO  67           HD1      PRO  67  -8.416  -2.935  -8.396
  509    H    SER  68           HN       SER  68  -4.420   0.348  -7.315
  510    HA   SER  68           HA       SER  68  -5.707   2.902  -6.427
  511   1HB   SER  68           HB2      SER  68  -4.241   2.737  -4.554
  512   2HB   SER  68           HB1      SER  68  -4.826   1.101  -4.840
  513    HG   SER  68           HG       SER  68  -2.903   0.590  -5.791
  514    H    SER  69           HN       SER  69  -3.510   4.328  -5.701
  515    HA   SER  69           HA       SER  69  -1.644   4.586  -7.983
  516   1HB   SER  69           HB2      SER  69  -3.965   5.819  -8.295
  517   2HB   SER  69           HB1      SER  69  -3.283   6.974  -7.155
  518    HG   SER  69           HG       SER  69  -1.549   7.266  -8.565
  519    H    VAL  70           HN       VAL  70   0.315   5.087  -7.024
  520    HA   VAL  70           HA       VAL  70   0.286   6.004  -4.217
  521    HB   VAL  70           HB       VAL  70   1.578   4.055  -4.854
  522   1HG1  VAL  70          HG11      VAL  70   2.455   5.884  -7.039
  523   2HG1  VAL  70          HG13      VAL  70   3.655   4.748  -6.423
  524   3HG1  VAL  70          HG12      VAL  70   2.134   4.151  -7.086
  525   1HG2  VAL  70          HG21      VAL  70   2.529   6.057  -3.338
  526   2HG2  VAL  70          HG23      VAL  70   3.495   4.623  -3.684
  527   3HG2  VAL  70          HG22      VAL  70   3.746   6.101  -4.613
  528    H    LYS  71           HN       LYS  71   1.732   7.772  -3.560
  529    HA   LYS  71           HA       LYS  71   2.606   9.550  -5.774
  530   1HB   LYS  71           HB2      LYS  71   1.264  11.433  -4.821
  531   2HB   LYS  71           HB1      LYS  71   0.258  10.109  -5.410
  532   1HG   LYS  71           HG2      LYS  71   0.717   9.326  -2.831
  533   2HG   LYS  71           HG1      LYS  71   0.653  11.080  -2.655
  534   1HD   LYS  71           HD2      LYS  71  -1.435   9.982  -4.416
  535   2HD   LYS  71           HD1      LYS  71  -1.550   9.435  -2.742
  536   1HE   LYS  71           HE2      LYS  71  -1.082  12.056  -2.291
  537   2HE   LYS  71           HE1      LYS  71  -1.905  12.174  -3.859
  538   1HZ   LYS  71           HZ1      LYS  71  -3.415  10.348  -2.723
  539   2HZ   LYS  71           HZ3      LYS  71  -2.904  11.139  -1.312
  540   3HZ   LYS  71           HZ2      LYS  71  -3.720  12.007  -2.522
  541    H    GLN  72           HN       GLN  72   4.332   8.296  -4.064
  542    HA   GLN  72           HA       GLN  72   6.060   8.699  -2.496
  543   1HB   GLN  72           HB2      GLN  72   5.437  11.115  -4.033
  544   2HB   GLN  72           HB1      GLN  72   6.200  11.480  -2.485
  545   1HG   GLN  72           HG2      GLN  72   8.185  10.913  -3.369
  546   2HG   GLN  72           HG1      GLN  72   7.594   9.261  -3.554
  547   1HE2  GLN  72          HE22      GLN  72   8.189  11.486  -6.838
  548   2HE2  GLN  72          HE21      GLN  72   8.741  11.940  -5.298
   
  No H/Q in entry =         548
  Start of MODEL   18
    1   1H    ALA   1           HT2      ALA   1  16.761   1.458   0.002
    2   2H    ALA   1           HT1      ALA   1  18.072   2.462  -0.395
    3   3H    ALA   1           HT3      ALA   1  18.049   1.651   1.094
    4    HA   ALA   1           HA       ALA   1  17.460   3.896   1.554
    5   1HB   ALA   1           HB2      ALA   1  16.949   4.186  -0.940
    6   2HB   ALA   1           HB1      ALA   1  15.337   3.567  -0.579
    7   3HB   ALA   1           HB3      ALA   1  15.895   5.064   0.168
    8    H    THR   2           HN       THR   2  15.148   4.646   2.412
    9    HA   THR   2           HA       THR   2  13.395   2.411   3.175
   10    HB   THR   2           HB       THR   2  13.802   3.837   5.513
   11    HG1  THR   2           HG1      THR   2  15.602   4.863   4.755
   12   1HG2  THR   2          HG23      THR   2  13.769   1.271   4.838
   13   2HG2  THR   2          HG22      THR   2  15.518   1.458   4.968
   14   3HG2  THR   2          HG21      THR   2  14.489   1.802   6.358
   15    H    GLN   3           HN       GLN   3  11.883   3.614   1.862
   16    HA   GLN   3           HA       GLN   3  11.076   6.257   3.032
   17   1HB   GLN   3           HB2      GLN   3  10.218   6.325   0.422
   18   2HB   GLN   3           HB1      GLN   3  11.740   7.003   0.990
   19   1HG   GLN   3           HG2      GLN   3  12.913   4.930   0.423
   20   2HG   GLN   3           HG1      GLN   3  11.392   4.175  -0.057
   21   1HE2  GLN   3          HE22      GLN   3  13.380   6.406  -2.734
   22   2HE2  GLN   3          HE21      GLN   3  14.055   5.909  -1.258
   23    H    THR   4           HN       THR   4   8.862   6.759   3.033
   24    HA   THR   4           HA       THR   4   7.012   4.449   2.625
   25    HB   THR   4           HB       THR   4   6.781   4.725   4.875
   26    HG1  THR   4           HG1      THR   4   4.887   5.575   4.831
   27   1HG2  THR   4          HG22      THR   4   7.774   7.563   4.599
   28   2HG2  THR   4          HG21      THR   4   7.482   6.721   6.121
   29   3HG2  THR   4          HG23      THR   4   8.761   6.169   5.039
   30    H    VAL   5           HN       VAL   5   4.918   4.998   1.814
   31    HA   VAL   5           HA       VAL   5   4.503   7.800   0.865
   32    HB   VAL   5           HB       VAL   5   3.860   6.761  -1.361
   33   1HG1  VAL   5          HG13      VAL   5   6.392   7.418  -0.314
   34   2HG1  VAL   5          HG12      VAL   5   6.631   5.932  -1.233
   35   3HG1  VAL   5          HG11      VAL   5   5.932   7.350  -2.015
   36   1HG2  VAL   5          HG21      VAL   5   3.561   4.453  -0.424
   37   2HG2  VAL   5          HG23      VAL   5   4.623   4.495  -1.831
   38   3HG2  VAL   5          HG22      VAL   5   5.310   4.355  -0.213
   39    H    THR   6           HN       THR   6   2.161   7.860  -0.075
   40    HA   THR   6           HA       THR   6   0.438   6.198   1.718
   41    HB   THR   6           HB       THR   6   0.487   8.761   1.863
   42    HG1  THR   6           HG1      THR   6  -1.922   8.812   1.653
   43   1HG2  THR   6          HG23      THR   6   0.392   8.622  -0.868
   44   2HG2  THR   6          HG22      THR   6  -1.297   8.945  -0.478
   45   3HG2  THR   6          HG21      THR   6  -0.037  10.052   0.069
   46    H    LEU   7           HN       LEU   7  -1.630   5.447   0.631
   47    HA   LEU   7           HA       LEU   7  -1.215   5.242  -2.329
   48   1HB   LEU   7           HB2      LEU   7  -1.195   3.210  -0.265
   49   2HB   LEU   7           HB1      LEU   7  -2.455   2.873  -1.450
   50    HG   LEU   7           HG       LEU   7  -0.875   3.011  -3.258
   51   1HD1  LEU   7          HD11      LEU   7   0.859   4.162  -1.127
   52   2HD1  LEU   7          HD13      LEU   7   1.626   3.279  -2.446
   53   3HD1  LEU   7          HD12      LEU   7   0.625   4.683  -2.790
   54   1HD2  LEU   7          HD21      LEU   7  -0.928   0.938  -1.617
   55   2HD2  LEU   7          HD23      LEU   7   0.318   1.033  -2.863
   56   3HD2  LEU   7          HD22      LEU   7   0.696   1.484  -1.201
   57    H    ALA   8           HN       ALA   8  -2.999   5.361  -3.575
   58    HA   ALA   8           HA       ALA   8  -5.606   5.917  -2.193
   59   1HB   ALA   8           HB2      ALA   8  -4.139   6.987  -4.555
   60   2HB   ALA   8           HB1      ALA   8  -5.894   6.890  -4.706
   61   3HB   ALA   8           HB3      ALA   8  -5.171   7.831  -3.401
   62    H    VAL   9           HN       VAL   9  -6.568   3.861  -2.168
   63    HA   VAL   9           HA       VAL   9  -6.678   2.390  -4.783
   64    HB   VAL   9           HB       VAL   9  -5.574   1.299  -2.833
   65   1HG1  VAL   9          HG12      VAL   9  -7.359   2.488  -1.264
   66   2HG1  VAL   9          HG11      VAL   9  -8.253   0.994  -1.531
   67   3HG1  VAL   9          HG13      VAL   9  -6.646   0.943  -0.809
   68   1HG2  VAL   9          HG23      VAL   9  -7.987   0.243  -4.203
   69   2HG2  VAL   9          HG22      VAL   9  -6.343  -0.391  -4.174
   70   3HG2  VAL   9          HG21      VAL   9  -7.422  -0.676  -2.809
   71    HA   PRO  10           HA       PRO  10 -10.974   4.016  -4.017
   72   1HB   PRO  10           HB2      PRO  10 -11.280   4.369  -6.809
   73   2HB   PRO  10           HB1      PRO  10 -10.960   5.629  -5.613
   74   1HG   PRO  10           HG2      PRO  10  -9.165   4.523  -7.621
   75   2HG   PRO  10           HG1      PRO  10  -8.942   5.944  -6.596
   76   1HD   PRO  10           HD2      PRO  10  -7.639   3.411  -6.340
   77   2HD   PRO  10           HD1      PRO  10  -7.540   4.793  -5.223
   78    H    GLY  11           HN       GLY  11  -9.533   1.350  -5.525
   79   1HA   GLY  11           HA2      GLY  11 -11.626   0.190  -7.029
   80   2HA   GLY  11           HA1      GLY  11 -10.398  -0.736  -6.164
   81    H    MET  12           HN       MET  12 -11.417   0.802  -3.659
   82    HA   MET  12           HA       MET  12 -14.057  -0.450  -3.242
   83   1HB   MET  12           HB2      MET  12 -12.419  -1.266  -1.041
   84   2HB   MET  12           HB1      MET  12 -13.269  -2.280  -2.191
   85   1HG   MET  12           HG2      MET  12 -10.915  -2.877  -2.218
   86   2HG   MET  12           HG1      MET  12 -11.315  -2.103  -3.744
   87   1HE   MET  12           HE2      MET  12 -10.777  -1.061  -0.192
   88   2HE   MET  12           HE1      MET  12  -9.524   0.177  -0.201
   89   3HE   MET  12           HE3      MET  12 -11.150   0.553  -0.790
   90    H    THR  13           HN       THR  13 -14.336  -0.197  -0.555
   91    HA   THR  13           HA       THR  13 -13.147   2.109   0.667
   92    HB   THR  13           HB       THR  13 -14.238   3.243  -1.223
   93    HG1  THR  13           HG1      THR  13 -15.942   4.330   0.299
   94   1HG2  THR  13          HG21      THR  13 -16.561   1.608  -0.275
   95   2HG2  THR  13          HG23      THR  13 -16.877   3.176  -1.020
   96   3HG2  THR  13          HG22      THR  13 -16.016   1.928  -1.922
   97    H    CYS  14           HN       CYS  14 -13.679  -0.223   1.900
   98    HA   CYS  14           HA       CYS  14 -15.698   0.518   3.897
   99   1HB   CYS  14           HB2      CYS  14 -16.420  -2.144   3.177
  100   2HB   CYS  14           HB1      CYS  14 -17.407  -0.696   3.052
  101    H    ALA  15           HN       ALA  15 -15.790  -1.383   5.595
  102    HA   ALA  15           HA       ALA  15 -13.049  -1.983   6.345
  103   1HB   ALA  15           HB1      ALA  15 -15.661  -1.907   7.480
  104   2HB   ALA  15           HB3      ALA  15 -15.006  -3.516   7.785
  105   3HB   ALA  15           HB2      ALA  15 -14.124  -2.087   8.326
  106    H    ALA  16           HN       ALA  16 -12.495  -3.277   4.311
  107    HA   ALA  16           HA       ALA  16 -12.529  -6.086   4.841
  108   1HB   ALA  16           HB2      ALA  16 -14.867  -4.915   3.569
  109   2HB   ALA  16           HB1      ALA  16 -14.133  -6.148   2.543
  110   3HB   ALA  16           HB3      ALA  16 -14.638  -6.552   4.183
  111    H    CYS  17           HN       CYS  17 -12.766  -3.913   1.975
  112    HA   CYS  17           HA       CYS  17 -10.640  -5.478   0.635
  113   1HB   CYS  17           HB2      CYS  17 -11.918  -2.999  -0.471
  114   2HB   CYS  17           HB1      CYS  17 -11.399  -4.449  -1.317
  115    HA   PRO  18           HA       PRO  18  -8.588  -1.111   0.776
  116   1HB   PRO  18           HB2      PRO  18  -9.469   0.128   3.221
  117   2HB   PRO  18           HB1      PRO  18  -9.647   0.728   1.574
  118   1HG   PRO  18           HG2      PRO  18 -11.703  -0.264   3.270
  119   2HG   PRO  18           HG1      PRO  18 -11.853   0.227   1.582
  120   1HD   PRO  18           HD2      PRO  18 -11.920  -2.464   2.688
  121   2HD   PRO  18           HD1      PRO  18 -12.202  -1.958   1.004
  122    H    ILE  19           HN       ILE  19  -9.607  -2.517   3.907
  123    HA   ILE  19           HA       ILE  19  -7.075  -2.428   5.238
  124    HB   ILE  19           HB       ILE  19  -9.272  -4.532   5.295
  125   1HG1  ILE  19          HG12      ILE  19  -8.891  -2.144   7.117
  126   2HG1  ILE  19          HG11      ILE  19  -9.949  -2.117   5.707
  127   1HG2  ILE  19          HG21      ILE  19  -6.807  -4.709   6.465
  128   2HG2  ILE  19          HG23      ILE  19  -7.729  -3.904   7.735
  129   3HG2  ILE  19          HG22      ILE  19  -8.264  -5.463   7.110
  130   1HD1  ILE  19          HD11      ILE  19 -10.694  -4.458   6.979
  131   2HD1  ILE  19          HD13      ILE  19 -10.370  -3.367   8.326
  132   3HD1  ILE  19          HD12      ILE  19 -11.549  -2.920   7.094
  133    H    THR  20           HN       THR  20  -8.333  -4.564   2.717
  134    HA   THR  20           HA       THR  20  -6.393  -6.674   2.901
  135    HB   THR  20           HB       THR  20  -7.828  -5.644   0.421
  136    HG1  THR  20           HG1      THR  20  -8.772  -7.273   2.541
  137   1HG2  THR  20          HG22      THR  20  -6.890  -8.376   1.336
  138   2HG2  THR  20          HG21      THR  20  -7.880  -8.094  -0.096
  139   3HG2  THR  20          HG23      THR  20  -6.247  -7.433  -0.008
  140    H    VAL  21           HN       VAL  21  -6.434  -3.503   1.481
  141    HA   VAL  21           HA       VAL  21  -4.163  -3.774  -0.233
  142    HB   VAL  21           HB       VAL  21  -5.413  -1.390   1.172
  143   1HG1  VAL  21          HG11      VAL  21  -3.024  -1.590  -0.373
  144   2HG1  VAL  21          HG13      VAL  21  -4.229  -0.762  -1.359
  145   3HG1  VAL  21          HG12      VAL  21  -3.806  -0.130   0.232
  146   1HG2  VAL  21          HG21      VAL  21  -6.069  -2.970  -1.263
  147   2HG2  VAL  21          HG23      VAL  21  -7.137  -2.068  -0.186
  148   3HG2  VAL  21          HG22      VAL  21  -6.195  -1.217  -1.410
  149    H    LYS  22           HN       LYS  22  -4.629  -3.193   3.197
  150    HA   LYS  22           HA       LYS  22  -1.982  -2.195   3.729
  151   1HB   LYS  22           HB2      LYS  22  -3.533  -1.740   5.418
  152   2HB   LYS  22           HB1      LYS  22  -4.281  -3.331   5.291
  153   1HG   LYS  22           HG2      LYS  22  -2.821  -4.267   6.768
  154   2HG   LYS  22           HG1      LYS  22  -1.443  -3.392   6.102
  155   1HD   LYS  22           HD2      LYS  22  -2.464  -1.305   7.235
  156   2HD   LYS  22           HD1      LYS  22  -3.450  -2.447   8.148
  157   1HE   LYS  22           HE2      LYS  22  -1.115  -3.629   8.591
  158   2HE   LYS  22           HE1      LYS  22  -0.487  -2.002   8.260
  159   1HZ   LYS  22           HZ2      LYS  22  -2.806  -2.433  10.043
  160   2HZ   LYS  22           HZ1      LYS  22  -1.216  -2.502  10.639
  161   3HZ   LYS  22           HZ3      LYS  22  -1.795  -1.072   9.934
  162    H    LYS  23           HN       LYS  23  -3.553  -5.375   3.831
  163    HA   LYS  23           HA       LYS  23  -1.251  -6.823   4.714
  164   1HB   LYS  23           HB2      LYS  23  -3.903  -7.337   3.516
  165   2HB   LYS  23           HB1      LYS  23  -2.713  -8.613   3.257
  166   1HG   LYS  23           HG2      LYS  23  -4.127  -8.808   5.384
  167   2HG   LYS  23           HG1      LYS  23  -2.379  -8.915   5.601
  168   1HD   LYS  23           HD2      LYS  23  -2.238  -6.660   6.378
  169   2HD   LYS  23           HD1      LYS  23  -3.884  -6.302   5.855
  170   1HE   LYS  23           HE2      LYS  23  -4.599  -8.181   7.510
  171   2HE   LYS  23           HE1      LYS  23  -2.982  -7.966   8.210
  172   1HZ   LYS  23           HZ3      LYS  23  -4.949  -5.790   7.720
  173   2HZ   LYS  23           HZ2      LYS  23  -4.596  -6.467   9.238
  174   3HZ   LYS  23           HZ1      LYS  23  -3.405  -5.598   8.394
  175    H    ALA  24           HN       ALA  24  -2.229  -5.562   1.667
  176    HA   ALA  24           HA       ALA  24  -0.625  -7.167  -0.067
  177   1HB   ALA  24           HB2      ALA  24  -2.620  -5.434  -0.392
  178   2HB   ALA  24           HB1      ALA  24  -1.285  -4.315  -0.663
  179   3HB   ALA  24           HB3      ALA  24  -1.464  -5.738  -1.688
  180    H    LEU  25           HN       LEU  25  -0.055  -3.997   1.498
  181    HA   LEU  25           HA       LEU  25   2.551  -3.586   0.300
  182   1HB   LEU  25           HB2      LEU  25   1.581  -2.531   2.964
  183   2HB   LEU  25           HB1      LEU  25   2.679  -1.752   1.827
  184    HG   LEU  25           HG       LEU  25   0.139  -2.374   0.561
  185   1HD1  LEU  25          HD13      LEU  25  -0.300  -1.946   3.155
  186   2HD1  LEU  25          HD12      LEU  25  -0.121  -0.265   2.660
  187   3HD1  LEU  25          HD11      LEU  25  -1.368  -1.272   1.925
  188   1HD2  LEU  25          HD21      LEU  25   2.192  -0.483   0.418
  189   2HD2  LEU  25          HD23      LEU  25   0.692  -0.457  -0.510
  190   3HD2  LEU  25          HD22      LEU  25   0.805   0.435   1.007
  191    H    SER  26           HN       SER  26   1.460  -4.942   3.399
  192    HA   SER  26           HA       SER  26   4.084  -5.412   4.488
  193   1HB   SER  26           HB2      SER  26   2.619  -7.118   5.846
  194   2HB   SER  26           HB1      SER  26   2.280  -5.398   6.011
  195    HG   SER  26           HG       SER  26   0.706  -7.359   5.078
  196    H    LYS  27           HN       LYS  27   2.167  -6.940   2.069
  197    HA   LYS  27           HA       LYS  27   3.727  -9.448   2.248
  198   1HB   LYS  27           HB2      LYS  27   1.185  -8.523   0.948
  199   2HB   LYS  27           HB1      LYS  27   1.976  -9.983   0.355
  200   1HG   LYS  27           HG2      LYS  27   0.179 -10.163   2.273
  201   2HG   LYS  27           HG1      LYS  27   1.645 -11.139   2.355
  202   1HD   LYS  27           HD2      LYS  27   2.667  -9.653   3.925
  203   2HD   LYS  27           HD1      LYS  27   1.450  -8.409   3.645
  204   1HE   LYS  27           HE2      LYS  27   0.996  -9.592   5.769
  205   2HE   LYS  27           HE1      LYS  27  -0.293  -9.919   4.595
  206   1HZ   LYS  27           HZ1      LYS  27   2.081 -11.641   4.588
  207   2HZ   LYS  27           HZ3      LYS  27   0.926 -11.883   5.806
  208   3HZ   LYS  27           HZ2      LYS  27   0.476 -12.013   4.172
  209    H    VAL  28           HN       VAL  28   3.769  -6.479   0.655
  210    HA   VAL  28           HA       VAL  28   4.492  -6.930  -1.990
  211    HB   VAL  28           HB       VAL  28   5.339  -5.042   0.188
  212   1HG1  VAL  28          HG11      VAL  28   6.775  -5.486  -2.400
  213   2HG1  VAL  28          HG13      VAL  28   6.526  -3.821  -1.872
  214   3HG1  VAL  28          HG12      VAL  28   7.408  -4.949  -0.844
  215   1HG2  VAL  28          HG23      VAL  28   3.196  -4.782  -1.048
  216   2HG2  VAL  28          HG22      VAL  28   4.277  -3.410  -1.296
  217   3HG2  VAL  28          HG21      VAL  28   4.103  -4.635  -2.553
  218    H    GLU  29           HN       GLU  29   6.877  -6.720   0.674
  219    HA   GLU  29           HA       GLU  29   8.268  -9.090   0.437
  220   1HB   GLU  29           HB2      GLU  29   8.758  -9.031  -1.814
  221   2HB   GLU  29           HB1      GLU  29   8.619  -7.276  -1.896
  222   1HG   GLU  29           HG2      GLU  29  10.814  -6.931  -1.308
  223   2HG   GLU  29           HG1      GLU  29  10.900  -8.412  -0.354
  224    H    GLY  30           HN       GLY  30   9.469  -5.758  -0.151
  225   1HA   GLY  30           HA2      GLY  30  11.276  -6.052   2.169
  226   2HA   GLY  30           HA1      GLY  30  11.351  -4.767   0.967
  227    H    VAL  31           HN       VAL  31   8.184  -4.863   1.621
  228    HA   VAL  31           HA       VAL  31   7.875  -2.440   2.934
  229    HB   VAL  31           HB       VAL  31   6.092  -3.955   2.031
  230   1HG1  VAL  31          HG13      VAL  31   7.217  -5.885   3.524
  231   2HG1  VAL  31          HG12      VAL  31   5.965  -5.366   4.652
  232   3HG1  VAL  31          HG11      VAL  31   5.520  -5.939   3.044
  233   1HG2  VAL  31          HG22      VAL  31   5.755  -3.000   4.893
  234   2HG2  VAL  31          HG21      VAL  31   5.435  -2.066   3.432
  235   3HG2  VAL  31          HG23      VAL  31   4.423  -3.453   3.830
  236    H    SER  32           HN       SER  32   8.430  -1.678   4.878
  237    HA   SER  32           HA       SER  32   9.293  -3.619   6.982
  238   1HB   SER  32           HB2      SER  32   9.962  -0.739   6.337
  239   2HB   SER  32           HB1      SER  32  10.479  -1.516   7.830
  240    HG   SER  32           HG       SER  32  11.715  -2.906   6.682
  241    H    LYS  33           HN       LYS  33   6.841  -1.452   6.108
  242    HA   LYS  33           HA       LYS  33   5.479  -1.819   8.672
  243   1HB   LYS  33           HB2      LYS  33   6.510  -0.047   9.650
  244   2HB   LYS  33           HB1      LYS  33   7.167   0.515   8.121
  245   1HG   LYS  33           HG2      LYS  33   5.708   2.246   8.902
  246   2HG   LYS  33           HG1      LYS  33   4.835   1.430   7.606
  247   1HD   LYS  33           HD2      LYS  33   3.173   0.897   9.025
  248   2HD   LYS  33           HD1      LYS  33   4.317   0.062  10.078
  249   1HE   LYS  33           HE2      LYS  33   4.716   1.994  11.382
  250   2HE   LYS  33           HE1      LYS  33   4.068   3.075  10.133
  251   1HZ   LYS  33           HZ2      LYS  33   2.242   1.004  10.972
  252   2HZ   LYS  33           HZ1      LYS  33   2.635   2.105  12.205
  253   3HZ   LYS  33           HZ3      LYS  33   1.968   2.667  10.752
  254    H    VAL  34           HN       VAL  34   3.236  -0.914   8.549
  255    HA   VAL  34           HA       VAL  34   2.427   0.015   5.837
  256    HB   VAL  34           HB       VAL  34   1.358  -2.443   7.259
  257   1HG1  VAL  34          HG12      VAL  34   0.656  -1.146   4.609
  258   2HG1  VAL  34          HG11      VAL  34   0.128  -2.757   5.091
  259   3HG1  VAL  34          HG13      VAL  34  -0.405  -1.346   6.004
  260   1HG2  VAL  34          HG21      VAL  34   3.048  -2.118   4.759
  261   2HG2  VAL  34          HG23      VAL  34   3.579  -2.817   6.288
  262   3HG2  VAL  34          HG22      VAL  34   2.359  -3.642   5.318
  263    H    ASP  35           HN       ASP  35   0.223   0.807   5.779
  264    HA   ASP  35           HA       ASP  35  -1.053   1.361   8.425
  265   1HB   ASP  35           HB2      ASP  35   0.371   3.286   7.685
  266   2HB   ASP  35           HB1      ASP  35  -0.557   3.359   6.188
  267    H    VAL  36           HN       VAL  36  -3.296   1.069   8.278
  268    HA   VAL  36           HA       VAL  36  -4.338   0.474   5.538
  269    HB   VAL  36           HB       VAL  36  -4.512  -1.414   6.948
  270   1HG1  VAL  36          HG11      VAL  36  -5.182   0.624   9.040
  271   2HG1  VAL  36          HG13      VAL  36  -5.755  -1.032   9.244
  272   3HG1  VAL  36          HG12      VAL  36  -4.027  -0.706   9.109
  273   1HG2  VAL  36          HG21      VAL  36  -6.657  -0.684   5.783
  274   2HG2  VAL  36          HG23      VAL  36  -6.865  -1.781   7.148
  275   3HG2  VAL  36          HG22      VAL  36  -7.183  -0.058   7.346
  276    H    GLY  37           HN       GLY  37  -5.797   1.817   4.670
  277   1HA   GLY  37           HA2      GLY  37  -7.287   3.679   6.474
  278   2HA   GLY  37           HA1      GLY  37  -6.917   4.024   4.774
  279    H    PHE  38           HN       PHE  38  -8.282   1.325   6.616
  280    HA   PHE  38           HA       PHE  38  -9.708  -0.168   4.950
  281   1HB   PHE  38           HB2      PHE  38 -11.599   0.019   6.801
  282   2HB   PHE  38           HB1      PHE  38 -10.019  -0.639   7.180
  283    HD1  PHE  38           HD1      PHE  38 -11.025   2.942   6.679
  284    HD2  PHE  38           HD2      PHE  38  -9.604  -0.065   9.401
  285    HE1  PHE  38           HE1      PHE  38 -10.678   4.675   8.414
  286    HE2  PHE  38           HE2      PHE  38  -9.256   1.671  11.135
  287    HZ   PHE  38           HZ       PHE  38  -9.793   4.041  10.642
  288    H    GLU  39           HN       GLU  39 -12.335   1.494   6.214
  289    HA   GLU  39           HA       GLU  39 -13.750   1.842   3.844
  290   1HB   GLU  39           HB2      GLU  39 -14.478   2.022   6.282
  291   2HB   GLU  39           HB1      GLU  39 -13.907   3.691   6.233
  292   1HG   GLU  39           HG2      GLU  39 -15.442   4.206   4.407
  293   2HG   GLU  39           HG1      GLU  39 -15.962   2.522   4.335
  294    H    LYS  40           HN       LYS  40 -11.857   4.432   5.504
  295    HA   LYS  40           HA       LYS  40 -12.371   6.534   3.695
  296   1HB   LYS  40           HB2      LYS  40 -11.195   6.583   5.925
  297   2HB   LYS  40           HB1      LYS  40  -9.759   5.950   5.117
  298   1HG   LYS  40           HG2      LYS  40 -10.872   8.217   3.671
  299   2HG   LYS  40           HG1      LYS  40 -10.485   8.646   5.338
  300   1HD   LYS  40           HD2      LYS  40  -8.583   7.250   3.432
  301   2HD   LYS  40           HD1      LYS  40  -8.550   8.976   3.798
  302   1HE   LYS  40           HE2      LYS  40  -8.463   6.995   6.064
  303   2HE   LYS  40           HE1      LYS  40  -6.981   7.366   5.162
  304   1HZ   LYS  40           HZ1      LYS  40  -8.627   9.656   5.815
  305   2HZ   LYS  40           HZ3      LYS  40  -7.935   8.886   7.158
  306   3HZ   LYS  40           HZ2      LYS  40  -6.941   9.469   5.909
  307    H    ARG  41           HN       ARG  41 -10.588   3.681   3.107
  308    HA   ARG  41           HA       ARG  41  -9.394   2.921   1.225
  309   1HB   ARG  41           HB2      ARG  41 -11.410   3.977   0.176
  310   2HB   ARG  41           HB1      ARG  41 -10.499   5.477   0.039
  311   1HG   ARG  41           HG2      ARG  41  -9.081   3.128  -1.025
  312   2HG   ARG  41           HG1      ARG  41 -10.572   3.504  -1.885
  313   1HD   ARG  41           HD2      ARG  41  -8.187   5.334  -1.453
  314   2HD   ARG  41           HD1      ARG  41  -8.866   4.782  -2.990
  315    HE   ARG  41           HE       ARG  41 -10.996   6.022  -1.683
  316   1HH1  ARG  41          HH21      ARG  41  -7.790   6.863  -2.657
  317   2HH1  ARG  41          HH22      ARG  41  -8.169   8.533  -2.913
  318   1HH2  ARG  41          HH11      ARG  41 -11.497   8.198  -2.008
  319   2HH2  ARG  41          HH12      ARG  41 -10.261   9.290  -2.538
  320    H    GLU  42           HN       GLU  42  -7.387   3.378   2.383
  321    HA   GLU  42           HA       GLU  42  -5.602   5.071   0.849
  322   1HB   GLU  42           HB2      GLU  42  -7.007   6.644   2.329
  323   2HB   GLU  42           HB1      GLU  42  -6.129   5.958   3.697
  324   1HG   GLU  42           HG2      GLU  42  -4.463   7.414   3.290
  325   2HG   GLU  42           HG1      GLU  42  -4.171   6.582   1.761
  326    H    ALA  43           HN       ALA  43  -3.723   3.847   0.920
  327    HA   ALA  43           HA       ALA  43  -3.137   2.399   3.485
  328   1HB   ALA  43           HB2      ALA  43  -3.073   1.735   0.621
  329   2HB   ALA  43           HB1      ALA  43  -1.617   1.246   1.488
  330   3HB   ALA  43           HB3      ALA  43  -3.195   0.664   2.017
  331    H    VAL  44           HN       VAL  44  -1.469   3.320   4.598
  332    HA   VAL  44           HA       VAL  44   0.610   4.839   3.058
  333    HB   VAL  44           HB       VAL  44  -0.803   5.117   5.640
  334   1HG1  VAL  44          HG12      VAL  44   2.185   5.276   5.478
  335   2HG1  VAL  44          HG11      VAL  44   1.338   6.494   6.431
  336   3HG1  VAL  44          HG13      VAL  44   1.164   4.785   6.830
  337   1HG2  VAL  44          HG22      VAL  44   0.527   6.892   3.607
  338   2HG2  VAL  44          HG21      VAL  44  -1.175   6.816   4.062
  339   3HG2  VAL  44          HG23      VAL  44  -0.001   7.541   5.160
  340    H    VAL  45           HN       VAL  45   2.541   3.767   2.844
  341    HA   VAL  45           HA       VAL  45   3.187   1.688   4.919
  342    HB   VAL  45           HB       VAL  45   2.186   0.808   2.844
  343   1HG1  VAL  45          HG13      VAL  45   4.519   2.262   1.597
  344   2HG1  VAL  45          HG12      VAL  45   3.647   0.977   0.761
  345   3HG1  VAL  45          HG11      VAL  45   2.804   2.453   1.233
  346   1HG2  VAL  45          HG21      VAL  45   4.821   0.128   3.890
  347   2HG2  VAL  45          HG23      VAL  45   3.508  -0.941   3.400
  348   3HG2  VAL  45          HG22      VAL  45   4.650  -0.341   2.199
  349    H    THR  46           HN       THR  46   5.356   1.246   5.284
  350    HA   THR  46           HA       THR  46   7.380   3.195   4.209
  351    HB   THR  46           HB       THR  46   6.952   1.781   6.847
  352    HG1  THR  46           HG1      THR  46   6.357   3.754   7.205
  353   1HG2  THR  46          HG22      THR  46   9.536   2.598   5.579
  354   2HG2  THR  46          HG21      THR  46   9.339   2.844   7.314
  355   3HG2  THR  46          HG23      THR  46   9.191   1.225   6.631
  356    H    PHE  47           HN       PHE  47   9.419   2.181   3.571
  357    HA   PHE  47           HA       PHE  47   9.775  -0.690   3.799
  358   1HB   PHE  47           HB2      PHE  47   9.362  -1.223   1.449
  359   2HB   PHE  47           HB1      PHE  47   7.918  -0.470   2.131
  360    HD1  PHE  47           HD2      PHE  47  10.954   0.170   0.048
  361    HD2  PHE  47           HD1      PHE  47   7.123   1.636   1.346
  362    HE1  PHE  47           HE2      PHE  47  11.076   1.978  -1.632
  363    HE2  PHE  47           HE1      PHE  47   7.247   3.442  -0.347
  364    HZ   PHE  47           HZ       PHE  47   9.224   3.614  -1.830
  365    H    ASP  48           HN       ASP  48  11.514  -1.352   2.081
  366    HA   ASP  48           HA       ASP  48  13.580   0.796   2.072
  367   1HB   ASP  48           HB2      ASP  48  13.664  -2.239   2.068
  368   2HB   ASP  48           HB1      ASP  48  15.104  -1.251   1.814
  369    H    ASP  49           HN       ASP  49  13.963   1.653   0.060
  370    HA   ASP  49           HA       ASP  49  12.567   0.663  -2.238
  371   1HB   ASP  49           HB2      ASP  49  13.281   2.636  -3.164
  372   2HB   ASP  49           HB1      ASP  49  13.690   3.002  -1.491
  373    H    THR  50           HN       THR  50  15.268  -0.667  -0.785
  374    HA   THR  50           HA       THR  50  16.740  -1.409  -3.212
  375    HB   THR  50           HB       THR  50  17.853  -1.082  -1.051
  376    HG1  THR  50           HG1      THR  50  18.918  -2.567  -2.212
  377   1HG2  THR  50          HG22      THR  50  15.588  -2.514  -0.090
  378   2HG2  THR  50          HG21      THR  50  17.024  -3.449   0.328
  379   3HG2  THR  50          HG23      THR  50  16.881  -1.770   0.851
  380    H    LYS  51           HN       LYS  51  14.112  -2.715  -1.306
  381    HA   LYS  51           HA       LYS  51  14.163  -5.184  -3.012
  382   1HB   LYS  51           HB2      LYS  51  13.942  -4.724  -0.093
  383   2HB   LYS  51           HB1      LYS  51  12.839  -5.934  -0.752
  384   1HG   LYS  51           HG2      LYS  51  14.524  -7.386  -1.258
  385   2HG   LYS  51           HG1      LYS  51  15.628  -6.094  -1.733
  386   1HD   LYS  51           HD2      LYS  51  16.384  -7.257   0.332
  387   2HD   LYS  51           HD1      LYS  51  16.047  -5.549   0.617
  388   1HE   LYS  51           HE2      LYS  51  13.928  -6.044   1.643
  389   2HE   LYS  51           HE1      LYS  51  14.008  -7.739   1.125
  390   1HZ   LYS  51           HZ1      LYS  51  16.388  -7.041   2.476
  391   2HZ   LYS  51           HZ3      LYS  51  15.062  -6.639   3.453
  392   3HZ   LYS  51           HZ2      LYS  51  15.245  -8.229   2.886
  393    H    ALA  52           HN       ALA  52  12.483  -2.390  -2.216
  394    HA   ALA  52           HA       ALA  52  10.063  -3.348  -3.616
  395   1HB   ALA  52           HB3      ALA  52  10.305  -3.274  -0.777
  396   2HB   ALA  52           HB2      ALA  52   9.232  -1.954  -1.241
  397   3HB   ALA  52           HB1      ALA  52   8.855  -3.607  -1.725
  398    H    SER  53           HN       SER  53   8.417  -1.218  -3.259
  399    HA   SER  53           HA       SER  53   9.649   1.370  -3.182
  400   1HB   SER  53           HB2      SER  53  10.142  -0.216  -5.502
  401   2HB   SER  53           HB1      SER  53   9.071   1.099  -5.978
  402    HG   SER  53           HG       SER  53  10.646   2.417  -4.661
  403    H    VAL  54           HN       VAL  54   8.106   3.058  -3.822
  404    HA   VAL  54           HA       VAL  54   5.482   2.802  -3.089
  405    HB   VAL  54           HB       VAL  54   5.160   4.808  -4.446
  406   1HG1  VAL  54          HG13      VAL  54   7.006   4.530  -2.477
  407   2HG1  VAL  54          HG12      VAL  54   8.022   5.136  -3.787
  408   3HG1  VAL  54          HG11      VAL  54   6.629   6.072  -3.245
  409   1HG2  VAL  54          HG21      VAL  54   7.697   3.901  -5.824
  410   2HG2  VAL  54          HG23      VAL  54   6.096   4.033  -6.552
  411   3HG2  VAL  54          HG22      VAL  54   6.960   5.487  -6.052
  412    H    GLN  55           HN       GLN  55   6.806   2.165  -6.349
  413    HA   GLN  55           HA       GLN  55   4.333   1.597  -7.657
  414   1HB   GLN  55           HB2      GLN  55   6.867   1.856  -8.427
  415   2HB   GLN  55           HB1      GLN  55   6.857   0.098  -8.275
  416   1HG   GLN  55           HG2      GLN  55   6.206   0.459 -10.514
  417   2HG   GLN  55           HG1      GLN  55   4.676   0.199  -9.676
  418   1HE2  GLN  55          HE22      GLN  55   3.532   3.255 -11.009
  419   2HE2  GLN  55          HE21      GLN  55   3.267   1.590 -10.816
  420    H    LYS  56           HN       LYS  56   6.631  -0.547  -5.957
  421    HA   LYS  56           HA       LYS  56   5.158  -2.975  -6.350
  422   1HB   LYS  56           HB2      LYS  56   7.569  -2.095  -5.210
  423   2HB   LYS  56           HB1      LYS  56   6.686  -2.841  -3.877
  424   1HG   LYS  56           HG2      LYS  56   7.005  -4.910  -4.714
  425   2HG   LYS  56           HG1      LYS  56   6.455  -4.414  -6.315
  426   1HD   LYS  56           HD2      LYS  56   9.001  -3.208  -5.867
  427   2HD   LYS  56           HD1      LYS  56   9.135  -4.916  -5.447
  428   1HE   LYS  56           HE2      LYS  56   7.606  -4.900  -7.799
  429   2HE   LYS  56           HE1      LYS  56   8.890  -3.708  -8.082
  430   1HZ   LYS  56           HZ1      LYS  56   9.405  -6.366  -6.874
  431   2HZ   LYS  56           HZ3      LYS  56   9.510  -6.091  -8.544
  432   3HZ   LYS  56           HZ2      LYS  56  10.542  -5.259  -7.481
  433    H    LEU  57           HN       LEU  57   4.793  -0.342  -4.029
  434    HA   LEU  57           HA       LEU  57   3.197  -1.855  -2.119
  435   1HB   LEU  57           HB2      LEU  57   3.239   1.130  -2.689
  436   2HB   LEU  57           HB1      LEU  57   2.796   0.349  -1.173
  437    HG   LEU  57           HG       LEU  57   5.547   0.181  -2.432
  438   1HD1  LEU  57          HD12      LEU  57   4.342   2.355  -1.118
  439   2HD1  LEU  57          HD11      LEU  57   5.393   1.597   0.078
  440   3HD1  LEU  57          HD13      LEU  57   6.058   2.139  -1.461
  441   1HD2  LEU  57          HD23      LEU  57   4.252  -1.322  -0.387
  442   2HD2  LEU  57          HD22      LEU  57   5.940  -1.407  -0.889
  443   3HD2  LEU  57          HD21      LEU  57   5.456  -0.294   0.391
  444    H    THR  58           HN       THR  58   2.385   0.633  -4.536
  445    HA   THR  58           HA       THR  58  -0.454   0.248  -4.473
  446    HB   THR  58           HB       THR  58   1.180   1.145  -6.845
  447    HG1  THR  58           HG1      THR  58   2.130   2.461  -5.528
  448   1HG2  THR  58          HG22      THR  58  -1.488   1.085  -6.483
  449   2HG2  THR  58          HG21      THR  58  -1.140   2.656  -5.762
  450   3HG2  THR  58          HG23      THR  58  -0.688   2.334  -7.437
  451    H    LYS  59           HN       LYS  59   2.167  -1.535  -5.834
  452    HA   LYS  59           HA       LYS  59   0.593  -2.868  -7.921
  453   1HB   LYS  59           HB2      LYS  59   2.955  -2.536  -8.268
  454   2HB   LYS  59           HB1      LYS  59   3.342  -3.221  -6.689
  455   1HG   LYS  59           HG2      LYS  59   2.404  -5.409  -7.463
  456   2HG   LYS  59           HG1      LYS  59   2.181  -4.704  -9.065
  457   1HD   LYS  59           HD2      LYS  59   4.875  -4.507  -7.769
  458   2HD   LYS  59           HD1      LYS  59   4.393  -6.042  -8.493
  459   1HE   LYS  59           HE2      LYS  59   3.733  -3.822 -10.256
  460   2HE   LYS  59           HE1      LYS  59   5.465  -3.841  -9.864
  461   1HZ   LYS  59           HZ3      LYS  59   5.133  -6.401 -10.179
  462   2HZ   LYS  59           HZ2      LYS  59   3.827  -5.912 -11.149
  463   3HZ   LYS  59           HZ1      LYS  59   5.404  -5.400 -11.521
  464    H    ALA  60           HN       ALA  60   1.486  -3.347  -4.551
  465    HA   ALA  60           HA       ALA  60   0.755  -6.159  -4.430
  466   1HB   ALA  60           HB1      ALA  60   2.141  -4.495  -2.851
  467   2HB   ALA  60           HB3      ALA  60   0.568  -4.316  -2.075
  468   3HB   ALA  60           HB2      ALA  60   1.321  -5.907  -2.186
  469    H    THR  61           HN       THR  61  -0.933  -3.101  -3.682
  470    HA   THR  61           HA       THR  61  -3.431  -4.444  -2.957
  471    HB   THR  61           HB       THR  61  -2.741  -2.206  -2.148
  472    HG1  THR  61           HG1      THR  61  -4.781  -1.146  -3.191
  473   1HG2  THR  61          HG21      THR  61  -3.043  -1.431  -5.059
  474   2HG2  THR  61          HG23      THR  61  -2.845  -0.284  -3.735
  475   3HG2  THR  61          HG22      THR  61  -1.549  -1.414  -4.124
  476    H    ALA  62           HN       ALA  62  -1.982  -2.968  -5.811
  477    HA   ALA  62           HA       ALA  62  -4.249  -3.052  -7.539
  478   1HB   ALA  62           HB3      ALA  62  -1.263  -3.002  -7.778
  479   2HB   ALA  62           HB2      ALA  62  -2.195  -3.369  -9.229
  480   3HB   ALA  62           HB1      ALA  62  -2.445  -1.842  -8.383
  481    H    ASP  63           HN       ASP  63  -1.947  -5.459  -6.419
  482    HA   ASP  63           HA       ASP  63  -2.967  -7.502  -8.301
  483   1HB   ASP  63           HB2      ASP  63  -0.689  -7.079  -6.461
  484   2HB   ASP  63           HB1      ASP  63  -1.269  -8.744  -6.531
  485    H    ALA  64           HN       ALA  64  -3.629  -6.283  -5.150
  486    HA   ALA  64           HA       ALA  64  -4.705  -8.755  -4.022
  487   1HB   ALA  64           HB2      ALA  64  -3.811  -6.480  -2.965
  488   2HB   ALA  64           HB1      ALA  64  -5.494  -5.991  -3.157
  489   3HB   ALA  64           HB3      ALA  64  -5.091  -7.392  -2.165
  490    H    GLY  65           HN       GLY  65  -5.755  -6.300  -6.198
  491   1HA   GLY  65           HA2      GLY  65  -7.776  -6.911  -7.557
  492   2HA   GLY  65           HA1      GLY  65  -8.538  -7.366  -6.037
  493    H    TYR  66           HN       TYR  66  -6.493  -4.565  -6.115
  494    HA   TYR  66           HA       TYR  66  -8.865  -2.769  -6.328
  495   1HB   TYR  66           HB2      TYR  66  -6.828  -2.617  -4.087
  496   2HB   TYR  66           HB1      TYR  66  -8.384  -1.795  -4.194
  497    HD1  TYR  66           HD1      TYR  66 -10.401  -3.560  -4.728
  498    HD2  TYR  66           HD2      TYR  66  -6.775  -4.428  -2.583
  499    HE1  TYR  66           HE1      TYR  66 -11.524  -5.458  -3.592
  500    HE2  TYR  66           HE2      TYR  66  -7.900  -6.330  -1.461
  501    HH   TYR  66           HH       TYR  66 -11.148  -6.728  -1.321
  502    HA   PRO  67           HA       PRO  67  -5.310  -1.245  -8.846
  503   1HB   PRO  67           HB2      PRO  67  -7.327   0.429 -10.087
  504   2HB   PRO  67           HB1      PRO  67  -6.404  -0.896 -10.805
  505   1HG   PRO  67           HG2      PRO  67  -9.168  -0.898 -10.076
  506   2HG   PRO  67           HG1      PRO  67  -8.224  -2.240 -10.728
  507   1HD   PRO  67           HD2      PRO  67  -9.251  -1.946  -8.052
  508   2HD   PRO  67           HD1      PRO  67  -8.266  -3.281  -8.698
  509    H    SER  68           HN       SER  68  -4.371  -0.024  -7.136
  510    HA   SER  68           HA       SER  68  -5.730   2.548  -6.411
  511   1HB   SER  68           HB2      SER  68  -4.746   2.279  -4.329
  512   2HB   SER  68           HB1      SER  68  -4.894   0.593  -4.814
  513    HG   SER  68           HG       SER  68  -2.685   2.027  -4.312
  514    H    SER  69           HN       SER  69  -3.532   3.902  -5.437
  515    HA   SER  69           HA       SER  69  -1.542   4.113  -7.631
  516   1HB   SER  69           HB2      SER  69  -3.786   5.945  -7.005
  517   2HB   SER  69           HB1      SER  69  -2.227   6.735  -7.223
  518    HG   SER  69           HG       SER  69  -2.186   5.185  -9.163
  519    H    VAL  70           HN       VAL  70  -0.081   6.211  -6.831
  520    HA   VAL  70           HA       VAL  70   0.234   5.972  -3.880
  521    HB   VAL  70           HB       VAL  70   1.577   4.398  -5.390
  522   1HG1  VAL  70          HG13      VAL  70   3.051   7.005  -5.855
  523   2HG1  VAL  70          HG12      VAL  70   3.680   5.412  -6.275
  524   3HG1  VAL  70          HG11      VAL  70   2.238   6.030  -7.079
  525   1HG2  VAL  70          HG23      VAL  70   2.161   5.701  -2.955
  526   2HG2  VAL  70          HG22      VAL  70   2.866   4.195  -3.541
  527   3HG2  VAL  70          HG21      VAL  70   3.660   5.732  -3.879
  528    H    LYS  71           HN       LYS  71   0.954   7.796  -2.852
  529    HA   LYS  71           HA       LYS  71   1.768  10.107  -4.569
  530   1HB   LYS  71           HB2      LYS  71  -0.517  10.455  -3.997
  531   2HB   LYS  71           HB1      LYS  71  -0.270   9.865  -2.351
  532   1HG   LYS  71           HG2      LYS  71   1.558  11.991  -2.748
  533   2HG   LYS  71           HG1      LYS  71  -0.008  12.534  -3.346
  534   1HD   LYS  71           HD2      LYS  71  -0.881  11.411  -1.113
  535   2HD   LYS  71           HD1      LYS  71   0.777  11.700  -0.584
  536   1HE   LYS  71           HE2      LYS  71   0.035  13.799  -0.058
  537   2HE   LYS  71           HE1      LYS  71   0.097  14.100  -1.807
  538   1HZ   LYS  71           HZ3      LYS  71  -2.218  12.846  -0.437
  539   2HZ   LYS  71           HZ2      LYS  71  -2.125  14.508  -0.781
  540   3HZ   LYS  71           HZ1      LYS  71  -2.140  13.375  -2.047
  541    H    GLN  72           HN       GLN  72   3.959   9.364  -3.848
  542    HA   GLN  72           HA       GLN  72   4.968   9.021  -1.301
  543   1HB   GLN  72           HB2      GLN  72   6.014   9.306  -3.740
  544   2HB   GLN  72           HB1      GLN  72   6.380  10.922  -3.135
  545   1HG   GLN  72           HG2      GLN  72   7.145   9.391  -1.008
  546   2HG   GLN  72           HG1      GLN  72   7.527   8.314  -2.351
  547   1HE2  GLN  72          HE22      GLN  72  10.529  10.419  -1.931
  548   2HE2  GLN  72          HE21      GLN  72   9.749   9.175  -1.081
   
  No H/Q in entry =         548
  Start of MODEL   19
    1   1H    ALA   1           HT3      ALA   1  17.204   2.542  -0.177
    2   2H    ALA   1           HT2      ALA   1  18.428   1.409   0.148
    3   3H    ALA   1           HT1      ALA   1  18.073   1.844  -1.456
    4    HA   ALA   1           HA       ALA   1  16.148   0.601  -1.533
    5   1HB   ALA   1           HB1      ALA   1  18.399  -0.515   0.057
    6   2HB   ALA   1           HB3      ALA   1  16.910  -1.460   0.049
    7   3HB   ALA   1           HB2      ALA   1  17.718  -1.077  -1.471
    8    H    THR   2           HN       THR   2  15.320   2.575   0.185
    9    HA   THR   2           HA       THR   2  13.554   1.154   2.011
   10    HB   THR   2           HB       THR   2  14.527   3.170   3.593
   11    HG1  THR   2           HG1      THR   2  16.794   1.907   2.522
   12   1HG2  THR   2          HG23      THR   2  15.173   0.242   3.385
   13   2HG2  THR   2          HG22      THR   2  15.860   1.233   4.673
   14   3HG2  THR   2          HG21      THR   2  14.111   1.054   4.536
   15    H    GLN   3           HN       GLN   3  11.946   2.083   0.587
   16    HA   GLN   3           HA       GLN   3  11.828   5.084   0.621
   17   1HB   GLN   3           HB2      GLN   3  10.281   3.368  -1.291
   18   2HB   GLN   3           HB1      GLN   3  10.952   4.976  -1.535
   19   1HG   GLN   3           HG2      GLN   3  13.254   3.678  -1.177
   20   2HG   GLN   3           HG1      GLN   3  12.291   2.312  -1.742
   21   1HE2  GLN   3          HE22      GLN   3  11.572   4.093  -4.918
   22   2HE2  GLN   3          HE21      GLN   3  10.658   3.380  -3.677
   23    H    THR   4           HN       THR   4   9.720   6.068   0.806
   24    HA   THR   4           HA       THR   4   7.576   4.343   1.984
   25    HB   THR   4           HB       THR   4   8.585   7.008   3.045
   26    HG1  THR   4           HG1      THR   4   9.335   4.407   3.492
   27   1HG2  THR   4          HG23      THR   4   6.575   5.015   4.125
   28   2HG2  THR   4          HG22      THR   4   7.142   6.446   4.985
   29   3HG2  THR   4          HG21      THR   4   6.213   6.623   3.497
   30    H    VAL   5           HN       VAL   5   5.743   4.719   0.782
   31    HA   VAL   5           HA       VAL   5   5.292   7.482  -0.314
   32    HB   VAL   5           HB       VAL   5   4.302   6.172  -2.291
   33   1HG1  VAL   5          HG13      VAL   5   6.700   7.278  -1.965
   34   2HG1  VAL   5          HG12      VAL   5   7.231   5.600  -2.066
   35   3HG1  VAL   5          HG11      VAL   5   6.329   6.321  -3.399
   36   1HG2  VAL   5          HG21      VAL   5   4.462   4.013  -0.779
   37   2HG2  VAL   5          HG23      VAL   5   4.757   3.897  -2.514
   38   3HG2  VAL   5          HG22      VAL   5   6.116   3.956  -1.390
   39    H    THR   6           HN       THR   6   2.948   7.666  -1.037
   40    HA   THR   6           HA       THR   6   1.175   6.412   1.005
   41    HB   THR   6           HB       THR   6   1.542   8.947   0.881
   42    HG1  THR   6           HG1      THR   6  -1.132   8.459   0.300
   43   1HG2  THR   6          HG23      THR   6   1.336   8.649  -1.778
   44   2HG2  THR   6          HG22      THR   6  -0.353   9.000  -1.415
   45   3HG2  THR   6          HG21      THR   6   0.903  10.154  -0.967
   46    H    LEU   7           HN       LEU   7  -0.974   5.728   0.171
   47    HA   LEU   7           HA       LEU   7  -0.897   5.214  -2.777
   48   1HB   LEU   7           HB2      LEU   7  -1.032   3.407  -0.485
   49   2HB   LEU   7           HB1      LEU   7  -2.367   3.145  -1.602
   50    HG   LEU   7           HG       LEU   7  -0.863   2.820  -3.446
   51   1HD1  LEU   7          HD12      LEU   7   1.212   3.805  -1.499
   52   2HD1  LEU   7          HD11      LEU   7   1.643   2.942  -2.976
   53   3HD1  LEU   7          HD13      LEU   7   0.782   4.472  -3.066
   54   1HD2  LEU   7          HD22      LEU   7  -1.090   0.989  -1.567
   55   2HD2  LEU   7          HD21      LEU   7   0.133   0.787  -2.821
   56   3HD2  LEU   7          HD23      LEU   7   0.594   1.392  -1.230
   57    H    ALA   8           HN       ALA   8  -2.923   5.000  -3.774
   58    HA   ALA   8           HA       ALA   8  -5.269   6.137  -2.291
   59   1HB   ALA   8           HB1      ALA   8  -3.976   7.781  -3.743
   60   2HB   ALA   8           HB3      ALA   8  -4.428   6.793  -5.132
   61   3HB   ALA   8           HB2      ALA   8  -5.675   7.598  -4.180
   62    H    VAL   9           HN       VAL   9  -6.497   4.232  -2.226
   63    HA   VAL   9           HA       VAL   9  -6.771   2.710  -4.791
   64    HB   VAL   9           HB       VAL   9  -7.752   1.737  -2.135
   65   1HG1  VAL   9          HG11      VAL   9  -6.747   0.620  -4.717
   66   2HG1  VAL   9          HG13      VAL   9  -6.549  -0.347  -3.255
   67   3HG1  VAL   9          HG12      VAL   9  -8.158   0.155  -3.772
   68   1HG2  VAL   9          HG22      VAL   9  -5.183   2.718  -2.230
   69   2HG2  VAL   9          HG21      VAL   9  -5.705   1.397  -1.195
   70   3HG2  VAL   9          HG23      VAL   9  -4.944   1.054  -2.743
   71    HA   PRO  10           HA       PRO  10 -10.818   4.807  -4.644
   72   1HB   PRO  10           HB2      PRO  10 -11.227   4.118  -7.364
   73   2HB   PRO  10           HB1      PRO  10 -10.673   5.672  -6.733
   74   1HG   PRO  10           HG2      PRO  10  -9.165   3.703  -8.213
   75   2HG   PRO  10           HG1      PRO  10  -8.643   5.298  -7.664
   76   1HD   PRO  10           HD2      PRO  10  -7.898   2.714  -6.595
   77   2HD   PRO  10           HD1      PRO  10  -7.334   4.321  -6.076
   78    H    GLY  11           HN       GLY  11  -9.975   1.577  -4.829
   79   1HA   GLY  11           HA2      GLY  11 -12.707   0.639  -5.516
   80   2HA   GLY  11           HA1      GLY  11 -11.291  -0.392  -5.317
   81    H    MET  12           HN       MET  12 -11.163   1.707  -2.793
   82    HA   MET  12           HA       MET  12 -12.540  -0.248  -0.993
   83   1HB   MET  12           HB2      MET  12 -10.747   1.802   0.161
   84   2HB   MET  12           HB1      MET  12 -10.787   0.065   0.444
   85   1HG   MET  12           HG2      MET  12  -9.543   1.474  -1.932
   86   2HG   MET  12           HG1      MET  12  -8.679   0.659  -0.634
   87   1HE   MET  12           HE2      MET  12  -9.742  -1.448   0.175
   88   2HE   MET  12           HE1      MET  12 -11.181  -2.028  -0.653
   89   3HE   MET  12           HE3      MET  12  -9.648  -2.895  -0.819
   90    H    THR  13           HN       THR  13 -13.679   0.705   0.915
   91    HA   THR  13           HA       THR  13 -14.270   3.498   1.144
   92    HB   THR  13           HB       THR  13 -15.299   3.324  -0.997
   93    HG1  THR  13           HG1      THR  13 -17.489   3.599  -0.485
   94   1HG2  THR  13          HG21      THR  13 -15.709   0.606  -0.164
   95   2HG2  THR  13          HG23      THR  13 -17.244   1.281  -0.710
   96   3HG2  THR  13          HG22      THR  13 -15.843   1.292  -1.782
   97    H    CYS  14           HN       CYS  14 -13.918   1.025   2.835
   98    HA   CYS  14           HA       CYS  14 -15.959   1.617   4.791
   99   1HB   CYS  14           HB2      CYS  14 -17.616   0.235   4.111
  100   2HB   CYS  14           HB1      CYS  14 -16.699  -0.060   2.641
  101    H    ALA  15           HN       ALA  15 -15.826  -0.068   6.647
  102    HA   ALA  15           HA       ALA  15 -13.010  -0.585   7.213
  103   1HB   ALA  15           HB3      ALA  15 -15.511  -0.331   8.581
  104   2HB   ALA  15           HB2      ALA  15 -14.796  -1.877   9.038
  105   3HB   ALA  15           HB1      ALA  15 -13.893  -0.382   9.281
  106    H    ALA  16           HN       ALA  16 -12.702  -2.119   5.311
  107    HA   ALA  16           HA       ALA  16 -12.724  -4.855   6.168
  108   1HB   ALA  16           HB1      ALA  16 -15.177  -3.805   5.159
  109   2HB   ALA  16           HB3      ALA  16 -14.555  -4.943   3.964
  110   3HB   ALA  16           HB2      ALA  16 -14.824  -5.468   5.627
  111    H    CYS  17           HN       CYS  17 -13.090  -2.896   3.169
  112    HA   CYS  17           HA       CYS  17 -11.166  -4.692   1.809
  113   1HB   CYS  17           HB2      CYS  17 -12.570  -2.273   0.667
  114   2HB   CYS  17           HB1      CYS  17 -11.981  -3.693  -0.184
  115    HA   PRO  18           HA       PRO  18  -8.858  -0.471   1.467
  116   1HB   PRO  18           HB2      PRO  18  -9.557   1.178   3.674
  117   2HB   PRO  18           HB1      PRO  18  -9.908   1.476   1.976
  118   1HG   PRO  18           HG2      PRO  18 -11.755   0.753   4.067
  119   2HG   PRO  18           HG1      PRO  18 -12.107   1.135   2.381
  120   1HD   PRO  18           HD2      PRO  18 -12.162  -1.449   3.666
  121   2HD   PRO  18           HD1      PRO  18 -12.533  -1.067   1.970
  122    H    ILE  19           HN       ILE  19  -9.921  -1.575   4.645
  123    HA   ILE  19           HA       ILE  19  -7.490  -1.412   6.124
  124    HB   ILE  19           HB       ILE  19 -10.015  -2.047   6.600
  125   1HG1  ILE  19          HG12      ILE  19  -7.746  -3.393   8.089
  126   2HG1  ILE  19          HG11      ILE  19  -8.279  -1.735   8.335
  127   1HG2  ILE  19          HG22      ILE  19  -9.993  -4.092   5.237
  128   2HG2  ILE  19          HG21      ILE  19  -8.751  -4.774   6.285
  129   3HG2  ILE  19          HG23      ILE  19 -10.364  -4.451   6.921
  130   1HD1  ILE  19          HD13      ILE  19 -10.128  -4.103   8.637
  131   2HD1  ILE  19          HD12      ILE  19  -9.226  -3.411   9.985
  132   3HD1  ILE  19          HD11      ILE  19 -10.425  -2.437   9.133
  133    H    THR  20           HN       THR  20  -8.780  -3.796   3.868
  134    HA   THR  20           HA       THR  20  -6.848  -5.884   4.220
  135    HB   THR  20           HB       THR  20  -8.393  -5.039   1.736
  136    HG1  THR  20           HG1      THR  20  -9.211  -6.946   3.639
  137   1HG2  THR  20          HG21      THR  20  -6.583  -6.788   1.498
  138   2HG2  THR  20          HG23      THR  20  -7.500  -7.792   2.620
  139   3HG2  THR  20          HG22      THR  20  -8.202  -7.338   1.067
  140    H    VAL  21           HN       VAL  21  -6.792  -2.805   2.690
  141    HA   VAL  21           HA       VAL  21  -4.634  -3.262   0.844
  142    HB   VAL  21           HB       VAL  21  -5.476  -0.700   2.237
  143   1HG1  VAL  21          HG13      VAL  21  -3.971  -1.358  -0.290
  144   2HG1  VAL  21          HG12      VAL  21  -4.792   0.190  -0.099
  145   3HG1  VAL  21          HG11      VAL  21  -3.506  -0.269   1.017
  146   1HG2  VAL  21          HG23      VAL  21  -6.616  -2.052  -0.229
  147   2HG2  VAL  21          HG22      VAL  21  -7.461  -1.759   1.291
  148   3HG2  VAL  21          HG21      VAL  21  -6.993  -0.402   0.266
  149    H    LYS  22           HN       LYS  22  -4.937  -2.374   4.229
  150    HA   LYS  22           HA       LYS  22  -2.207  -1.623   4.682
  151   1HB   LYS  22           HB2      LYS  22  -4.353  -1.307   6.124
  152   2HB   LYS  22           HB1      LYS  22  -4.044  -2.951   6.679
  153   1HG   LYS  22           HG2      LYS  22  -1.826  -2.317   7.470
  154   2HG   LYS  22           HG1      LYS  22  -2.031  -0.688   6.825
  155   1HD   LYS  22           HD2      LYS  22  -3.633  -0.113   8.440
  156   2HD   LYS  22           HD1      LYS  22  -4.013  -1.798   8.800
  157   1HE   LYS  22           HE2      LYS  22  -1.228  -0.777   9.322
  158   2HE   LYS  22           HE1      LYS  22  -2.520  -0.453  10.495
  159   1HZ   LYS  22           HZ2      LYS  22  -1.957  -3.137   9.356
  160   2HZ   LYS  22           HZ1      LYS  22  -1.355  -2.608  10.854
  161   3HZ   LYS  22           HZ3      LYS  22  -3.028  -2.763  10.621
  162    H    LYS  23           HN       LYS  23  -4.042  -4.642   4.897
  163    HA   LYS  23           HA       LYS  23  -1.850  -6.238   5.835
  164   1HB   LYS  23           HB2      LYS  23  -4.150  -6.954   6.088
  165   2HB   LYS  23           HB1      LYS  23  -4.410  -6.856   4.346
  166   1HG   LYS  23           HG2      LYS  23  -2.198  -8.613   5.309
  167   2HG   LYS  23           HG1      LYS  23  -3.852  -9.180   5.546
  168   1HD   LYS  23           HD2      LYS  23  -3.505  -8.062   2.888
  169   2HD   LYS  23           HD1      LYS  23  -2.351  -9.363   3.186
  170   1HE   LYS  23           HE2      LYS  23  -4.585 -10.497   4.228
  171   2HE   LYS  23           HE1      LYS  23  -5.310  -9.491   2.958
  172   1HZ   LYS  23           HZ1      LYS  23  -3.193 -10.405   1.668
  173   2HZ   LYS  23           HZ3      LYS  23  -3.439 -11.716   2.716
  174   3HZ   LYS  23           HZ2      LYS  23  -4.682 -11.225   1.667
  175    H    ALA  24           HN       ALA  24  -2.842  -5.080   2.748
  176    HA   ALA  24           HA       ALA  24  -1.423  -6.915   1.076
  177   1HB   ALA  24           HB1      ALA  24  -3.329  -5.361   0.485
  178   2HB   ALA  24           HB3      ALA  24  -2.170  -4.033   0.541
  179   3HB   ALA  24           HB2      ALA  24  -1.979  -5.321  -0.649
  180    H    LEU  25           HN       LEU  25  -0.645  -3.526   1.992
  181    HA   LEU  25           HA       LEU  25   1.970  -3.494   0.847
  182   1HB   LEU  25           HB2      LEU  25   1.084  -2.023   3.340
  183   2HB   LEU  25           HB1      LEU  25   2.228  -1.477   2.115
  184    HG   LEU  25           HG       LEU  25  -0.270  -2.096   0.843
  185   1HD1  LEU  25          HD13      LEU  25  -0.970  -1.601   3.305
  186   2HD1  LEU  25          HD12      LEU  25  -0.559   0.068   2.916
  187   3HD1  LEU  25          HD11      LEU  25  -1.819  -0.767   2.005
  188   1HD2  LEU  25          HD21      LEU  25   1.695   0.080   1.073
  189   2HD2  LEU  25          HD23      LEU  25   0.783  -0.464  -0.336
  190   3HD2  LEU  25          HD22      LEU  25   0.046   0.652   0.815
  191    H    SER  26           HN       SER  26   0.810  -4.490   4.052
  192    HA   SER  26           HA       SER  26   3.436  -4.888   5.196
  193   1HB   SER  26           HB2      SER  26   0.959  -4.682   6.181
  194   2HB   SER  26           HB1      SER  26   1.018  -6.437   6.051
  195    HG   SER  26           HG       SER  26   2.001  -6.231   7.915
  196    H    LYS  27           HN       LYS  27   1.404  -6.675   3.033
  197    HA   LYS  27           HA       LYS  27   3.130  -9.081   3.387
  198   1HB   LYS  27           HB2      LYS  27   0.282  -8.607   2.544
  199   2HB   LYS  27           HB1      LYS  27   1.098 -10.101   2.083
  200   1HG   LYS  27           HG2      LYS  27  -0.206 -10.213   4.262
  201   2HG   LYS  27           HG1      LYS  27   1.487 -10.697   4.377
  202   1HD   LYS  27           HD2      LYS  27   2.110  -8.739   5.486
  203   2HD   LYS  27           HD1      LYS  27   0.732  -7.833   4.863
  204   1HE   LYS  27           HE2      LYS  27   0.205  -8.246   7.155
  205   2HE   LYS  27           HE1      LYS  27  -0.735  -9.450   6.251
  206   1HZ   LYS  27           HZ2      LYS  27   1.077 -11.026   6.523
  207   2HZ   LYS  27           HZ1      LYS  27   1.973  -9.882   7.403
  208   3HZ   LYS  27           HZ3      LYS  27   0.527 -10.497   8.042
  209    H    VAL  28           HN       VAL  28   3.150  -6.437   1.563
  210    HA   VAL  28           HA       VAL  28   3.027  -7.375  -1.148
  211    HB   VAL  28           HB       VAL  28   2.898  -5.012  -0.425
  212   1HG1  VAL  28          HG12      VAL  28   4.792  -5.460   1.333
  213   2HG1  VAL  28          HG11      VAL  28   5.875  -5.039   0.007
  214   3HG1  VAL  28          HG13      VAL  28   4.680  -3.873   0.576
  215   1HG2  VAL  28          HG21      VAL  28   5.252  -5.677  -2.221
  216   2HG2  VAL  28          HG23      VAL  28   3.576  -5.468  -2.728
  217   3HG2  VAL  28          HG22      VAL  28   4.492  -4.090  -2.117
  218    H    GLU  29           HN       GLU  29   5.778  -6.984   1.113
  219    HA   GLU  29           HA       GLU  29   7.270  -9.212   0.367
  220   1HB   GLU  29           HB2      GLU  29   7.168  -7.130  -1.683
  221   2HB   GLU  29           HB1      GLU  29   8.824  -7.547  -1.237
  222   1HG   GLU  29           HG2      GLU  29   7.464  -9.996  -1.369
  223   2HG   GLU  29           HG1      GLU  29   6.910  -9.082  -2.772
  224    H    GLY  30           HN       GLY  30   8.754  -6.043  -0.081
  225   1HA   GLY  30           HA2      GLY  30  10.454  -6.547   2.273
  226   2HA   GLY  30           HA1      GLY  30  10.701  -5.287   1.070
  227    H    VAL  31           HN       VAL  31   7.495  -5.116   1.920
  228    HA   VAL  31           HA       VAL  31   7.492  -2.601   3.097
  229    HB   VAL  31           HB       VAL  31   5.504  -3.877   2.453
  230   1HG1  VAL  31          HG11      VAL  31   6.681  -5.942   3.838
  231   2HG1  VAL  31          HG13      VAL  31   5.396  -5.447   4.942
  232   3HG1  VAL  31          HG12      VAL  31   5.004  -5.928   3.290
  233   1HG2  VAL  31          HG23      VAL  31   5.737  -2.193   4.630
  234   2HG2  VAL  31          HG22      VAL  31   4.211  -2.739   3.935
  235   3HG2  VAL  31          HG21      VAL  31   4.903  -3.587   5.318
  236    H    SER  32           HN       SER  32   8.280  -1.772   4.921
  237    HA   SER  32           HA       SER  32   9.051  -3.644   7.129
  238   1HB   SER  32           HB2      SER  32  10.238  -1.185   5.903
  239   2HB   SER  32           HB1      SER  32  10.543  -1.487   7.612
  240    HG   SER  32           HG       SER  32  12.074  -2.698   6.777
  241    H    LYS  33           HN       LYS  33   7.044  -1.048   6.200
  242    HA   LYS  33           HA       LYS  33   5.918  -0.898   8.932
  243   1HB   LYS  33           HB2      LYS  33   7.475   0.752   9.360
  244   2HB   LYS  33           HB1      LYS  33   7.648   1.174   7.661
  245   1HG   LYS  33           HG2      LYS  33   5.588   2.418   7.678
  246   2HG   LYS  33           HG1      LYS  33   5.171   1.812   9.281
  247   1HD   LYS  33           HD2      LYS  33   7.775   3.016   9.396
  248   2HD   LYS  33           HD1      LYS  33   6.654   4.151   8.642
  249   1HE   LYS  33           HE2      LYS  33   5.080   3.312  10.663
  250   2HE   LYS  33           HE1      LYS  33   6.668   3.084  11.424
  251   1HZ   LYS  33           HZ2      LYS  33   5.882   5.545   9.962
  252   2HZ   LYS  33           HZ1      LYS  33   5.756   5.379  11.648
  253   3HZ   LYS  33           HZ3      LYS  33   7.278   5.307  10.902
  254    H    VAL  34           HN       VAL  34   3.825   0.315   8.900
  255    HA   VAL  34           HA       VAL  34   2.790   1.032   6.215
  256    HB   VAL  34           HB       VAL  34   2.566  -1.435   6.505
  257   1HG1  VAL  34          HG11      VAL  34   1.644  -0.564   9.113
  258   2HG1  VAL  34          HG13      VAL  34   0.435  -1.587   8.337
  259   3HG1  VAL  34          HG12      VAL  34   2.077  -2.186   8.574
  260   1HG2  VAL  34          HG23      VAL  34   0.093   0.303   6.441
  261   2HG2  VAL  34          HG22      VAL  34   0.924  -0.466   5.090
  262   3HG2  VAL  34          HG21      VAL  34  -0.002  -1.445   6.225
  263    H    ASP  35           HN       ASP  35   0.737   2.133   6.330
  264    HA   ASP  35           HA       ASP  35  -0.624   2.683   8.825
  265   1HB   ASP  35           HB2      ASP  35   1.732   3.993   8.620
  266   2HB   ASP  35           HB1      ASP  35   0.713   5.116   7.719
  267    H    VAL  36           HN       VAL  36  -2.352   2.077   7.330
  268    HA   VAL  36           HA       VAL  36  -2.829   3.985   5.083
  269    HB   VAL  36           HB       VAL  36  -4.127   2.164   4.157
  270   1HG1  VAL  36          HG12      VAL  36  -1.443   2.054   4.555
  271   2HG1  VAL  36          HG11      VAL  36  -1.934   0.560   5.353
  272   3HG1  VAL  36          HG13      VAL  36  -2.338   0.827   3.657
  273   1HG2  VAL  36          HG23      VAL  36  -4.965   1.566   6.596
  274   2HG2  VAL  36          HG22      VAL  36  -4.876   0.314   5.361
  275   3HG2  VAL  36          HG21      VAL  36  -3.599   0.452   6.568
  276    H    GLY  37           HN       GLY  37  -5.534   3.403   4.754
  277   1HA   GLY  37           HA2      GLY  37  -6.905   4.203   7.249
  278   2HA   GLY  37           HA1      GLY  37  -7.042   5.285   5.857
  279    H    PHE  38           HN       PHE  38  -8.472   2.706   7.376
  280    HA   PHE  38           HA       PHE  38  -9.344   0.969   5.362
  281   1HB   PHE  38           HB2      PHE  38 -10.945   1.919   7.754
  282   2HB   PHE  38           HB1      PHE  38 -10.985   0.324   7.003
  283    HD1  PHE  38           HD1      PHE  38  -7.746   0.614   6.637
  284    HD2  PHE  38           HD2      PHE  38 -10.508   0.710   9.926
  285    HE1  PHE  38           HE1      PHE  38  -5.933  -0.092   8.178
  286    HE2  PHE  38           HE2      PHE  38  -8.699  -0.001  11.464
  287    HZ   PHE  38           HZ       PHE  38  -6.412  -0.398  10.592
  288    H    GLU  39           HN       GLU  39 -12.144   2.517   6.620
  289    HA   GLU  39           HA       GLU  39 -13.422   2.996   4.195
  290   1HB   GLU  39           HB2      GLU  39 -14.113   3.217   6.731
  291   2HB   GLU  39           HB1      GLU  39 -13.707   4.917   6.490
  292   1HG   GLU  39           HG2      GLU  39 -15.371   5.211   4.850
  293   2HG   GLU  39           HG1      GLU  39 -15.508   3.479   4.549
  294    H    LYS  40           HN       LYS  40 -11.081   5.093   5.859
  295    HA   LYS  40           HA       LYS  40 -11.402   7.506   4.454
  296   1HB   LYS  40           HB2      LYS  40  -9.871   7.005   6.376
  297   2HB   LYS  40           HB1      LYS  40  -8.804   6.159   5.254
  298   1HG   LYS  40           HG2      LYS  40  -8.244   8.128   4.100
  299   2HG   LYS  40           HG1      LYS  40  -9.658   8.993   4.702
  300   1HD   LYS  40           HD2      LYS  40  -8.494   8.484   7.054
  301   2HD   LYS  40           HD1      LYS  40  -7.048   8.464   6.045
  302   1HE   LYS  40           HE2      LYS  40  -7.734  10.701   5.113
  303   2HE   LYS  40           HE1      LYS  40  -9.049  10.733   6.305
  304   1HZ   LYS  40           HZ2      LYS  40  -7.351  10.288   8.035
  305   2HZ   LYS  40           HZ1      LYS  40  -6.142  10.497   6.860
  306   3HZ   LYS  40           HZ3      LYS  40  -7.154  11.794   7.272
  307    H    ARG  41           HN       ARG  41  -9.553   4.629   3.499
  308    HA   ARG  41           HA       ARG  41  -9.066   3.825   1.316
  309   1HB   ARG  41           HB2      ARG  41 -11.127   5.205   0.718
  310   2HB   ARG  41           HB1      ARG  41 -10.013   6.502   0.304
  311   1HG   ARG  41           HG2      ARG  41  -9.530   3.772  -0.828
  312   2HG   ARG  41           HG1      ARG  41 -10.794   4.764  -1.540
  313   1HD   ARG  41           HD2      ARG  41  -7.823   5.350  -1.392
  314   2HD   ARG  41           HD1      ARG  41  -8.853   5.298  -2.827
  315    HE   ARG  41           HE       ARG  41  -8.431   7.587  -1.130
  316   1HH1  ARG  41          HH21      ARG  41 -10.902   5.917  -2.857
  317   2HH1  ARG  41          HH22      ARG  41 -12.057   7.193  -2.688
  318   1HH2  ARG  41          HH11      ARG  41  -9.914   9.262  -0.920
  319   2HH2  ARG  41          HH12      ARG  41 -11.496   9.090  -1.603
  320    H    GLU  42           HN       GLU  42  -6.907   4.307   2.495
  321    HA   GLU  42           HA       GLU  42  -5.170   5.639   0.567
  322   1HB   GLU  42           HB2      GLU  42  -6.328   7.511   1.846
  323   2HB   GLU  42           HB1      GLU  42  -5.456   6.965   3.278
  324   1HG   GLU  42           HG2      GLU  42  -3.339   7.458   2.307
  325   2HG   GLU  42           HG1      GLU  42  -4.034   7.623   0.695
  326    H    ALA  43           HN       ALA  43  -3.352   4.350   0.660
  327    HA   ALA  43           HA       ALA  43  -2.637   3.180   3.319
  328   1HB   ALA  43           HB3      ALA  43  -2.493   2.279   0.468
  329   2HB   ALA  43           HB2      ALA  43  -1.369   1.586   1.638
  330   3HB   ALA  43           HB1      ALA  43  -3.108   1.417   1.878
  331    H    VAL  44           HN       VAL  44  -0.916   4.201   4.258
  332    HA   VAL  44           HA       VAL  44   1.231   5.283   2.471
  333    HB   VAL  44           HB       VAL  44   0.031   6.021   5.114
  334   1HG1  VAL  44          HG13      VAL  44   2.928   6.056   4.502
  335   2HG1  VAL  44          HG12      VAL  44   2.274   7.575   5.118
  336   3HG1  VAL  44          HG11      VAL  44   2.107   6.096   6.063
  337   1HG2  VAL  44          HG21      VAL  44  -0.346   7.121   2.789
  338   2HG2  VAL  44          HG23      VAL  44  -0.060   8.176   4.173
  339   3HG2  VAL  44          HG22      VAL  44   1.247   7.834   3.039
  340    H    VAL  45           HN       VAL  45   2.940   3.873   2.342
  341    HA   VAL  45           HA       VAL  45   3.598   2.347   4.849
  342    HB   VAL  45           HB       VAL  45   3.487   1.269   2.023
  343   1HG1  VAL  45          HG13      VAL  45   4.981   0.240   3.931
  344   2HG1  VAL  45          HG12      VAL  45   3.440  -0.360   4.545
  345   3HG1  VAL  45          HG11      VAL  45   3.985  -0.819   2.932
  346   1HG2  VAL  45          HG23      VAL  45   1.435   1.613   4.130
  347   2HG2  VAL  45          HG22      VAL  45   1.239   1.422   2.388
  348   3HG2  VAL  45          HG21      VAL  45   1.503   0.007   3.405
  349    H    THR  46           HN       THR  46   5.717   1.600   5.022
  350    HA   THR  46           HA       THR  46   7.752   2.942   3.272
  351    HB   THR  46           HB       THR  46   7.555   2.282   6.213
  352    HG1  THR  46           HG1      THR  46   7.263   4.349   6.161
  353   1HG2  THR  46          HG22      THR  46   9.696   1.340   5.384
  354   2HG2  THR  46          HG21      THR  46  10.107   2.916   4.707
  355   3HG2  THR  46          HG23      THR  46   9.955   2.719   6.453
  356    H    PHE  47           HN       PHE  47   9.720   1.533   2.940
  357    HA   PHE  47           HA       PHE  47   9.619  -1.253   3.729
  358   1HB   PHE  47           HB2      PHE  47   9.029  -2.156   1.527
  359   2HB   PHE  47           HB1      PHE  47   7.750  -1.075   2.085
  360    HD1  PHE  47           HD1      PHE  47   7.432   1.138   1.100
  361    HD2  PHE  47           HD2      PHE  47  10.536  -1.494  -0.307
  362    HE1  PHE  47           HE1      PHE  47   7.724   2.548  -0.915
  363    HE2  PHE  47           HE2      PHE  47  10.822  -0.073  -2.311
  364    HZ   PHE  47           HZ       PHE  47   9.417   1.940  -2.618
  365    H    ASP  48           HN       ASP  48  11.114  -2.514   2.065
  366    HA   ASP  48           HA       ASP  48  13.538  -0.818   1.700
  367   1HB   ASP  48           HB2      ASP  48  13.113  -3.814   2.007
  368   2HB   ASP  48           HB1      ASP  48  14.688  -3.053   1.784
  369    H    ASP  49           HN       ASP  49  13.710  -0.186  -0.410
  370    HA   ASP  49           HA       ASP  49  12.207  -1.324  -2.542
  371   1HB   ASP  49           HB2      ASP  49  12.864   0.817  -3.014
  372   2HB   ASP  49           HB1      ASP  49  14.382   0.652  -2.137
  373    H    THR  50           HN       THR  50  14.946  -2.585  -0.981
  374    HA   THR  50           HA       THR  50  16.306  -3.832  -3.197
  375    HB   THR  50           HB       THR  50  17.070  -3.445  -0.780
  376    HG1  THR  50           HG1      THR  50  17.306  -6.123  -1.651
  377   1HG2  THR  50          HG22      THR  50  14.950  -4.433   0.183
  378   2HG2  THR  50          HG21      THR  50  15.549  -6.019  -0.305
  379   3HG2  THR  50          HG23      THR  50  16.440  -5.067   0.883
  380    H    LYS  51           HN       LYS  51  13.437  -4.613  -1.341
  381    HA   LYS  51           HA       LYS  51  13.091  -7.090  -2.992
  382   1HB   LYS  51           HB2      LYS  51  13.066  -6.595  -0.074
  383   2HB   LYS  51           HB1      LYS  51  11.741  -7.599  -0.666
  384   1HG   LYS  51           HG2      LYS  51  13.275  -9.160  -1.676
  385   2HG   LYS  51           HG1      LYS  51  14.646  -8.096  -1.361
  386   1HD   LYS  51           HD2      LYS  51  14.777  -9.674   0.381
  387   2HD   LYS  51           HD1      LYS  51  13.956  -8.306   1.134
  388   1HE   LYS  51           HE2      LYS  51  11.916  -9.860  -0.067
  389   2HE   LYS  51           HE1      LYS  51  12.978 -10.999   0.783
  390   1HZ   LYS  51           HZ2      LYS  51  12.956  -9.096   2.566
  391   2HZ   LYS  51           HZ1      LYS  51  11.460  -8.729   1.850
  392   3HZ   LYS  51           HZ3      LYS  51  11.721 -10.262   2.526
  393    H    ALA  52           HN       ALA  52  11.922  -4.050  -2.326
  394    HA   ALA  52           HA       ALA  52   9.246  -4.742  -3.423
  395   1HB   ALA  52           HB3      ALA  52   9.685  -4.454  -0.710
  396   2HB   ALA  52           HB2      ALA  52   9.173  -2.834  -1.183
  397   3HB   ALA  52           HB1      ALA  52   8.130  -4.218  -1.509
  398    H    SER  53           HN       SER  53   8.049  -2.299  -3.304
  399    HA   SER  53           HA       SER  53   9.704  -0.021  -3.841
  400   1HB   SER  53           HB2      SER  53   8.864  -0.420  -6.460
  401   2HB   SER  53           HB1      SER  53  10.498  -0.686  -5.859
  402    HG   SER  53           HG       SER  53   9.974  -2.621  -6.654
  403    H    VAL  54           HN       VAL  54   8.362   1.810  -4.520
  404    HA   VAL  54           HA       VAL  54   5.800   2.015  -3.519
  405    HB   VAL  54           HB       VAL  54   5.649   3.961  -4.947
  406   1HG1  VAL  54          HG12      VAL  54   7.694   3.548  -3.247
  407   2HG1  VAL  54          HG11      VAL  54   8.604   3.809  -4.735
  408   3HG1  VAL  54          HG13      VAL  54   7.497   5.051  -4.149
  409   1HG2  VAL  54          HG23      VAL  54   7.792   2.610  -6.608
  410   2HG2  VAL  54          HG22      VAL  54   6.114   2.861  -7.089
  411   3HG2  VAL  54          HG21      VAL  54   7.188   4.244  -6.880
  412    H    GLN  55           HN       GLN  55   6.770   0.879  -6.748
  413    HA   GLN  55           HA       GLN  55   4.138   0.560  -7.836
  414   1HB   GLN  55           HB2      GLN  55   6.793   0.221  -8.611
  415   2HB   GLN  55           HB1      GLN  55   6.143  -1.418  -8.653
  416   1HG   GLN  55           HG2      GLN  55   5.182  -0.928 -10.628
  417   2HG   GLN  55           HG1      GLN  55   4.151   0.229  -9.786
  418   1HE2  GLN  55          HE22      GLN  55   6.792   2.847 -10.443
  419   2HE2  GLN  55          HE21      GLN  55   6.215   2.112  -9.026
  420    H    LYS  56           HN       LYS  56   6.287  -1.663  -6.054
  421    HA   LYS  56           HA       LYS  56   4.561  -3.946  -6.117
  422   1HB   LYS  56           HB2      LYS  56   7.101  -3.233  -5.213
  423   2HB   LYS  56           HB1      LYS  56   6.233  -3.669  -3.740
  424   1HG   LYS  56           HG2      LYS  56   6.262  -5.860  -4.275
  425   2HG   LYS  56           HG1      LYS  56   5.656  -5.533  -5.899
  426   1HD   LYS  56           HD2      LYS  56   8.079  -4.692  -6.377
  427   2HD   LYS  56           HD1      LYS  56   8.507  -5.612  -4.935
  428   1HE   LYS  56           HE2      LYS  56   7.399  -7.629  -5.965
  429   2HE   LYS  56           HE1      LYS  56   7.198  -6.686  -7.455
  430   1HZ   LYS  56           HZ1      LYS  56   9.795  -7.011  -6.054
  431   2HZ   LYS  56           HZ3      LYS  56   9.309  -7.990  -7.351
  432   3HZ   LYS  56           HZ2      LYS  56   9.530  -6.321  -7.584
  433    H    LEU  57           HN       LEU  57   4.560  -1.052  -4.091
  434    HA   LEU  57           HA       LEU  57   2.984  -2.157  -1.925
  435   1HB   LEU  57           HB2      LEU  57   3.159   0.695  -2.952
  436   2HB   LEU  57           HB1      LEU  57   2.713   0.191  -1.324
  437    HG   LEU  57           HG       LEU  57   5.418  -0.331  -2.600
  438   1HD1  LEU  57          HD13      LEU  57   4.455   2.091  -1.791
  439   2HD1  LEU  57          HD12      LEU  57   5.149   1.486  -0.286
  440   3HD1  LEU  57          HD11      LEU  57   6.158   1.636  -1.725
  441   1HD2  LEU  57          HD21      LEU  57   4.265  -0.793   0.164
  442   2HD2  LEU  57          HD23      LEU  57   4.983  -1.986  -0.919
  443   3HD2  LEU  57          HD22      LEU  57   6.000  -0.767  -0.151
  444    H    THR  58           HN       THR  58   2.113  -0.017  -4.655
  445    HA   THR  58           HA       THR  58  -0.728  -0.247  -4.311
  446    HB   THR  58           HB       THR  58   1.146   0.512  -6.560
  447    HG1  THR  58           HG1      THR  58  -0.820   2.045  -5.239
  448   1HG2  THR  58          HG21      THR  58  -1.782  -0.010  -6.649
  449   2HG2  THR  58          HG23      THR  58  -1.213   1.453  -7.454
  450   3HG2  THR  58          HG22      THR  58  -0.579  -0.122  -7.934
  451    H    LYS  59           HN       LYS  59   1.715  -2.284  -5.692
  452    HA   LYS  59           HA       LYS  59  -0.121  -3.870  -7.329
  453   1HB   LYS  59           HB2      LYS  59   2.769  -3.807  -6.583
  454   2HB   LYS  59           HB1      LYS  59   2.116  -5.338  -7.172
  455   1HG   LYS  59           HG2      LYS  59   1.244  -4.198  -9.177
  456   2HG   LYS  59           HG1      LYS  59   1.901  -2.669  -8.593
  457   1HD   LYS  59           HD2      LYS  59   4.112  -3.329  -8.945
  458   2HD   LYS  59           HD1      LYS  59   3.713  -5.047  -8.876
  459   1HE   LYS  59           HE2      LYS  59   4.012  -4.726 -11.182
  460   2HE   LYS  59           HE1      LYS  59   2.262  -4.475 -11.020
  461   1HZ   LYS  59           HZ3      LYS  59   3.143  -2.061 -10.388
  462   2HZ   LYS  59           HZ2      LYS  59   4.380  -2.522 -11.458
  463   3HZ   LYS  59           HZ1      LYS  59   2.764  -2.504 -11.981
  464    H    ALA  60           HN       ALA  60   1.068  -3.834  -4.040
  465    HA   ALA  60           HA       ALA  60   0.429  -6.611  -3.437
  466   1HB   ALA  60           HB2      ALA  60   1.649  -4.340  -2.214
  467   2HB   ALA  60           HB1      ALA  60   0.339  -4.856  -1.152
  468   3HB   ALA  60           HB3      ALA  60   1.609  -5.994  -1.602
  469    H    THR  61           HN       THR  61  -1.220  -3.474  -2.967
  470    HA   THR  61           HA       THR  61  -3.627  -4.713  -1.836
  471    HB   THR  61           HB       THR  61  -2.821  -2.382  -1.418
  472    HG1  THR  61           HG1      THR  61  -5.006  -2.855  -1.132
  473   1HG2  THR  61          HG21      THR  61  -2.000  -1.916  -3.692
  474   2HG2  THR  61          HG23      THR  61  -3.655  -1.966  -4.299
  475   3HG2  THR  61          HG22      THR  61  -3.163  -0.691  -3.184
  476    H    ALA  62           HN       ALA  62  -2.439  -3.612  -4.958
  477    HA   ALA  62           HA       ALA  62  -4.855  -3.902  -6.466
  478   1HB   ALA  62           HB3      ALA  62  -1.910  -4.185  -7.141
  479   2HB   ALA  62           HB2      ALA  62  -3.182  -4.144  -8.360
  480   3HB   ALA  62           HB1      ALA  62  -2.898  -2.738  -7.332
  481    H    ASP  63           HN       ASP  63  -2.412  -6.109  -5.251
  482    HA   ASP  63           HA       ASP  63  -3.367  -8.412  -6.786
  483   1HB   ASP  63           HB2      ASP  63  -1.008  -7.960  -5.878
  484   2HB   ASP  63           HB1      ASP  63  -1.656  -8.339  -4.282
  485    H    ALA  64           HN       ALA  64  -4.076  -6.794  -3.787
  486    HA   ALA  64           HA       ALA  64  -5.486  -9.026  -2.549
  487   1HB   ALA  64           HB2      ALA  64  -4.369  -7.042  -1.409
  488   2HB   ALA  64           HB1      ALA  64  -5.690  -6.047  -2.021
  489   3HB   ALA  64           HB3      ALA  64  -6.024  -7.353  -0.883
  490    H    GLY  65           HN       GLY  65  -6.118  -6.783  -5.038
  491   1HA   GLY  65           HA2      GLY  65  -8.134  -7.106  -6.421
  492   2HA   GLY  65           HA1      GLY  65  -9.014  -7.474  -4.940
  493    H    TYR  66           HN       TYR  66  -6.671  -4.889  -5.225
  494    HA   TYR  66           HA       TYR  66  -8.901  -2.897  -5.185
  495   1HB   TYR  66           HB2      TYR  66  -6.512  -3.130  -3.320
  496   2HB   TYR  66           HB1      TYR  66  -7.685  -1.813  -3.296
  497    HD1  TYR  66           HD1      TYR  66 -10.203  -3.187  -3.819
  498    HD2  TYR  66           HD2      TYR  66  -6.915  -4.384  -1.316
  499    HE1  TYR  66           HE1      TYR  66 -11.747  -4.546  -2.434
  500    HE2  TYR  66           HE2      TYR  66  -8.459  -5.749   0.052
  501    HH   TYR  66           HH       TYR  66 -11.030  -6.894  -0.651
  502    HA   PRO  67           HA       PRO  67  -5.681  -1.868  -8.371
  503   1HB   PRO  67           HB2      PRO  67  -7.809  -0.274  -9.528
  504   2HB   PRO  67           HB1      PRO  67  -7.023  -1.707 -10.199
  505   1HG   PRO  67           HG2      PRO  67  -9.664  -1.511  -9.107
  506   2HG   PRO  67           HG1      PRO  67  -8.860  -2.950  -9.740
  507   1HD   PRO  67           HD2      PRO  67  -9.495  -2.366  -6.997
  508   2HD   PRO  67           HD1      PRO  67  -8.620  -3.783  -7.630
  509    H    SER  68           HN       SER  68  -4.516  -0.521  -6.932
  510    HA   SER  68           HA       SER  68  -5.745   2.119  -6.245
  511   1HB   SER  68           HB2      SER  68  -4.911   0.497  -4.498
  512   2HB   SER  68           HB1      SER  68  -3.287   0.750  -5.127
  513    HG   SER  68           HG       SER  68  -3.531   2.214  -3.511
  514    H    SER  69           HN       SER  69  -3.678   3.699  -5.756
  515    HA   SER  69           HA       SER  69  -1.768   3.692  -8.033
  516   1HB   SER  69           HB2      SER  69  -4.207   5.282  -7.783
  517   2HB   SER  69           HB1      SER  69  -2.782   6.309  -7.906
  518    HG   SER  69           HG       SER  69  -3.427   5.828  -9.970
  519    H    VAL  70           HN       VAL  70   0.182   4.166  -7.040
  520    HA   VAL  70           HA       VAL  70   0.140   5.447  -4.389
  521    HB   VAL  70           HB       VAL  70   1.377   3.384  -4.789
  522   1HG1  VAL  70          HG12      VAL  70   2.448   4.995  -7.072
  523   2HG1  VAL  70          HG11      VAL  70   3.514   3.803  -6.326
  524   3HG1  VAL  70          HG13      VAL  70   1.976   3.296  -7.024
  525   1HG2  VAL  70          HG21      VAL  70   2.377   5.639  -3.557
  526   2HG2  VAL  70          HG23      VAL  70   3.115   4.039  -3.470
  527   3HG2  VAL  70          HG22      VAL  70   3.686   5.211  -4.658
  528    H    LYS  71           HN       LYS  71   1.540   7.275  -3.911
  529    HA   LYS  71           HA       LYS  71   2.618   8.718  -6.253
  530   1HB   LYS  71           HB2      LYS  71   1.182  10.724  -5.657
  531   2HB   LYS  71           HB1      LYS  71   0.282   9.342  -6.286
  532   1HG   LYS  71           HG2      LYS  71  -0.901   9.205  -4.380
  533   2HG   LYS  71           HG1      LYS  71   0.587   9.041  -3.447
  534   1HD   LYS  71           HD2      LYS  71  -0.168  11.017  -2.541
  535   2HD   LYS  71           HD1      LYS  71   0.707  11.676  -3.924
  536   1HE   LYS  71           HE2      LYS  71  -1.295  11.960  -5.193
  537   2HE   LYS  71           HE1      LYS  71  -2.229  10.940  -4.081
  538   1HZ   LYS  71           HZ2      LYS  71  -1.230  12.702  -2.377
  539   2HZ   LYS  71           HZ1      LYS  71  -1.331  13.691  -3.755
  540   3HZ   LYS  71           HZ3      LYS  71  -2.723  12.929  -3.156
  541    H    GLN  72           HN       GLN  72   3.973   7.672  -4.061
  542    HA   GLN  72           HA       GLN  72   5.107   8.264  -1.997
  543   1HB   GLN  72           HB2      GLN  72   6.920   9.880  -2.841
  544   2HB   GLN  72           HB1      GLN  72   6.705   8.383  -3.745
  545   1HG   GLN  72           HG2      GLN  72   6.824  10.077  -5.401
  546   2HG   GLN  72           HG1      GLN  72   5.106   9.726  -5.253
  547   1HE2  GLN  72          HE22      GLN  72   6.505  13.243  -3.619
  548   2HE2  GLN  72          HE21      GLN  72   7.543  11.903  -3.701
   
  No H/Q in entry =         548
  Start of MODEL   20
    1   1H    ALA   1           HT3      ALA   1  18.298   0.665   1.733
    2   2H    ALA   1           HT2      ALA   1  19.285   1.584   0.699
    3   3H    ALA   1           HT1      ALA   1  18.902   2.163   2.250
    4    HA   ALA   1           HA       ALA   1  17.500   3.371   0.817
    5   1HB   ALA   1           HB1      ALA   1  18.124   1.434  -0.915
    6   2HB   ALA   1           HB3      ALA   1  16.520   0.852  -0.469
    7   3HB   ALA   1           HB2      ALA   1  16.713   2.461  -1.165
    8    H    THR   2           HN       THR   2  15.465   3.866   1.662
    9    HA   THR   2           HA       THR   2  13.500   2.016   2.392
   10    HB   THR   2           HB       THR   2  14.952   1.332   4.122
   11    HG1  THR   2           HG1      THR   2  13.248   3.319   5.187
   12   1HG2  THR   2          HG23      THR   2  15.529   4.265   4.391
   13   2HG2  THR   2          HG22      THR   2  15.880   3.156   5.717
   14   3HG2  THR   2          HG21      THR   2  16.665   2.937   4.153
   15    H    GLN   3           HN       GLN   3  11.982   3.334   1.740
   16    HA   GLN   3           HA       GLN   3  11.826   6.084   2.943
   17   1HB   GLN   3           HB2      GLN   3  11.131   6.897   0.763
   18   2HB   GLN   3           HB1      GLN   3  12.615   5.968   0.552
   19   1HG   GLN   3           HG2      GLN   3  11.430   4.079  -0.285
   20   2HG   GLN   3           HG1      GLN   3   9.877   4.735   0.234
   21   1HE2  GLN   3          HE22      GLN   3  11.660   6.496  -3.040
   22   2HE2  GLN   3          HE21      GLN   3  12.645   5.886  -1.798
   23    H    THR   4           HN       THR   4   9.531   7.003   2.604
   24    HA   THR   4           HA       THR   4   7.485   4.843   2.994
   25    HB   THR   4           HB       THR   4   7.537   7.558   4.339
   26    HG1  THR   4           HG1      THR   4   9.292   6.690   5.193
   27   1HG2  THR   4          HG21      THR   4   5.430   6.091   4.197
   28   2HG2  THR   4          HG23      THR   4   6.272   4.987   5.285
   29   3HG2  THR   4          HG22      THR   4   5.918   6.636   5.802
   30    H    VAL   5           HN       VAL   5   5.609   5.137   1.815
   31    HA   VAL   5           HA       VAL   5   5.199   7.762   0.406
   32    HB   VAL   5           HB       VAL   5   4.616   6.428  -1.592
   33   1HG1  VAL   5          HG13      VAL   5   7.198   6.756  -0.444
   34   2HG1  VAL   5          HG12      VAL   5   7.167   5.168  -1.209
   35   3HG1  VAL   5          HG11      VAL   5   6.786   6.608  -2.152
   36   1HG2  VAL   5          HG22      VAL   5   5.088   4.187   0.342
   37   2HG2  VAL   5          HG21      VAL   5   3.846   4.351  -0.898
   38   3HG2  VAL   5          HG23      VAL   5   5.499   3.938  -1.353
   39    H    THR   6           HN       THR   6   2.910   7.910  -0.390
   40    HA   THR   6           HA       THR   6   1.054   6.649   1.572
   41    HB   THR   6           HB       THR   6  -0.321   8.667   0.437
   42    HG1  THR   6           HG1      THR   6   1.562  10.304   0.265
   43   1HG2  THR   6          HG21      THR   6   1.689   8.624   2.636
   44   2HG2  THR   6          HG23      THR   6   1.037  10.188   2.151
   45   3HG2  THR   6          HG22      THR   6  -0.048   8.918   2.712
   46    H    LEU   7           HN       LEU   7  -0.983   5.851   0.617
   47    HA   LEU   7           HA       LEU   7  -0.779   5.370  -2.327
   48   1HB   LEU   7           HB2      LEU   7  -0.418   3.533  -0.142
   49   2HB   LEU   7           HB1      LEU   7  -1.864   3.067  -1.040
   50    HG   LEU   7           HG       LEU   7  -0.618   3.028  -3.122
   51   1HD1  LEU   7          HD11      LEU   7   1.580   4.156  -1.407
   52   2HD1  LEU   7          HD13      LEU   7   1.921   3.354  -2.940
   53   3HD1  LEU   7          HD12      LEU   7   0.914   4.797  -2.904
   54   1HD2  LEU   7          HD21      LEU   7   0.003   1.351  -0.865
   55   2HD2  LEU   7          HD23      LEU   7  -0.010   0.919  -2.575
   56   3HD2  LEU   7          HD22      LEU   7   1.459   1.558  -1.838
   57    H    ALA   8           HN       ALA   8  -2.775   5.015  -3.354
   58    HA   ALA   8           HA       ALA   8  -5.216   5.657  -1.717
   59   1HB   ALA   8           HB1      ALA   8  -4.411   6.557  -4.506
   60   2HB   ALA   8           HB3      ALA   8  -5.970   6.905  -3.758
   61   3HB   ALA   8           HB2      ALA   8  -4.492   7.570  -3.064
   62    H    VAL   9           HN       VAL   9  -6.531   3.852  -1.744
   63    HA   VAL   9           HA       VAL   9  -6.449   2.114  -4.193
   64    HB   VAL   9           HB       VAL   9  -7.216   1.567  -1.313
   65   1HG1  VAL   9          HG12      VAL   9  -8.111   0.226  -3.542
   66   2HG1  VAL   9          HG11      VAL   9  -6.654  -0.678  -3.132
   67   3HG1  VAL   9          HG13      VAL   9  -7.940  -0.492  -1.940
   68   1HG2  VAL   9          HG21      VAL   9  -4.705   1.490  -2.833
   69   2HG2  VAL   9          HG23      VAL   9  -4.962   1.470  -1.088
   70   3HG2  VAL   9          HG22      VAL   9  -5.068  -0.028  -2.013
   71    HA   PRO  10           HA       PRO  10 -10.738   3.986  -4.078
   72   1HB   PRO  10           HB2      PRO  10 -10.655   4.306  -6.888
   73   2HB   PRO  10           HB1      PRO  10 -10.464   5.578  -5.677
   74   1HG   PRO  10           HG2      PRO  10  -8.446   4.409  -7.416
   75   2HG   PRO  10           HG1      PRO  10  -8.321   5.827  -6.370
   76   1HD   PRO  10           HD2      PRO  10  -7.156   3.243  -5.937
   77   2HD   PRO  10           HD1      PRO  10  -7.131   4.640  -4.837
   78    H    GLY  11           HN       GLY  11  -9.074   1.413  -5.671
   79   1HA   GLY  11           HA2      GLY  11 -10.913   0.176  -7.319
   80   2HA   GLY  11           HA1      GLY  11  -9.865  -0.738  -6.233
   81    H    MET  12           HN       MET  12 -10.894   0.132  -3.763
   82    HA   MET  12           HA       MET  12 -13.797  -0.425  -3.793
   83   1HB   MET  12           HB2      MET  12 -11.654  -2.258  -2.703
   84   2HB   MET  12           HB1      MET  12 -13.338  -2.369  -2.189
   85   1HG   MET  12           HG2      MET  12 -12.328  -2.620  -5.039
   86   2HG   MET  12           HG1      MET  12 -12.907  -3.942  -4.026
   87   1HE   MET  12           HE1      MET  12 -14.825  -4.381  -3.234
   88   2HE   MET  12           HE3      MET  12 -15.944  -3.085  -2.792
   89   3HE   MET  12           HE2      MET  12 -16.336  -4.178  -4.115
   90    H    THR  13           HN       THR  13 -14.785   0.485  -1.971
   91    HA   THR  13           HA       THR  13 -13.006   1.430   0.245
   92    HB   THR  13           HB       THR  13 -13.378   3.288  -1.241
   93    HG1  THR  13           HG1      THR  13 -13.894   4.491   0.382
   94   1HG2  THR  13          HG21      THR  13 -16.241   2.327  -1.195
   95   2HG2  THR  13          HG23      THR  13 -15.806   3.948  -1.738
   96   3HG2  THR  13          HG22      THR  13 -15.183   2.536  -2.592
   97    H    CYS  14           HN       CYS  14 -14.011  -0.568   1.308
   98    HA   CYS  14           HA       CYS  14 -16.523   0.230   2.681
   99   1HB   CYS  14           HB2      CYS  14 -16.507  -2.607   1.882
  100   2HB   CYS  14           HB1      CYS  14 -17.812  -1.434   1.787
  101    H    ALA  15           HN       ALA  15 -16.593  -2.691   3.649
  102    HA   ALA  15           HA       ALA  15 -14.333  -2.419   5.595
  103   1HB   ALA  15           HB3      ALA  15 -17.140  -3.517   5.681
  104   2HB   ALA  15           HB2      ALA  15 -15.948  -4.053   6.864
  105   3HB   ALA  15           HB1      ALA  15 -16.382  -2.347   6.761
  106    H    ALA  16           HN       ALA  16 -13.230  -3.492   3.482
  107    HA   ALA  16           HA       ALA  16 -12.656  -6.230   4.142
  108   1HB   ALA  16           HB3      ALA  16 -14.901  -5.601   2.314
  109   2HB   ALA  16           HB2      ALA  16 -13.816  -6.880   1.770
  110   3HB   ALA  16           HB1      ALA  16 -14.639  -7.023   3.323
  111    H    CYS  17           HN       CYS  17 -12.984  -4.229   1.150
  112    HA   CYS  17           HA       CYS  17 -10.525  -5.348   0.051
  113   1HB   CYS  17           HB2      CYS  17 -11.828  -2.829  -0.945
  114   2HB   CYS  17           HB1      CYS  17 -11.053  -4.105  -1.855
  115    HA   PRO  18           HA       PRO  18  -8.991  -0.733   0.969
  116   1HB   PRO  18           HB2      PRO  18 -10.400  -0.485   3.557
  117   2HB   PRO  18           HB1      PRO  18 -10.168   0.735   2.295
  118   1HG   PRO  18           HG2      PRO  18 -12.550  -0.502   2.811
  119   2HG   PRO  18           HG1      PRO  18 -12.117   0.166   1.238
  120   1HD   PRO  18           HD2      PRO  18 -12.382  -2.653   2.044
  121   2HD   PRO  18           HD1      PRO  18 -12.344  -1.947   0.412
  122    H    ILE  19           HN       ILE  19  -9.976  -2.535   3.874
  123    HA   ILE  19           HA       ILE  19  -7.516  -2.446   5.278
  124    HB   ILE  19           HB       ILE  19 -10.008  -4.082   5.223
  125   1HG1  ILE  19          HG12      ILE  19  -8.881  -3.259   7.788
  126   2HG1  ILE  19          HG11      ILE  19  -9.003  -1.919   6.649
  127   1HG2  ILE  19          HG23      ILE  19  -7.405  -5.078   6.272
  128   2HG2  ILE  19          HG22      ILE  19  -8.815  -5.290   7.310
  129   3HG2  ILE  19          HG21      ILE  19  -8.801  -5.982   5.688
  130   1HD1  ILE  19          HD12      ILE  19 -11.393  -3.442   6.412
  131   2HD1  ILE  19          HD11      ILE  19 -11.104  -3.186   8.133
  132   3HD1  ILE  19          HD13      ILE  19 -11.214  -1.805   7.042
  133    H    THR  20           HN       THR  20  -8.519  -4.535   2.589
  134    HA   THR  20           HA       THR  20  -6.521  -6.584   2.912
  135    HB   THR  20           HB       THR  20  -7.861  -5.502   0.403
  136    HG1  THR  20           HG1      THR  20  -8.652  -7.608   2.132
  137   1HG2  THR  20          HG21      THR  20  -6.439  -8.075   1.086
  138   2HG2  THR  20          HG23      THR  20  -7.566  -7.961  -0.265
  139   3HG2  THR  20          HG22      THR  20  -6.111  -6.965  -0.245
  140    H    VAL  21           HN       VAL  21  -6.523  -3.360   1.684
  141    HA   VAL  21           HA       VAL  21  -4.148  -3.482   0.093
  142    HB   VAL  21           HB       VAL  21  -5.493  -1.206   1.587
  143   1HG1  VAL  21          HG12      VAL  21  -3.070  -0.948   0.652
  144   2HG1  VAL  21          HG11      VAL  21  -3.855  -0.951  -0.927
  145   3HG1  VAL  21          HG13      VAL  21  -4.263   0.290   0.258
  146   1HG2  VAL  21          HG23      VAL  21  -5.975  -2.533  -1.068
  147   2HG2  VAL  21          HG22      VAL  21  -7.146  -2.016   0.145
  148   3HG2  VAL  21          HG21      VAL  21  -6.339  -0.820  -0.867
  149    H    LYS  22           HN       LYS  22  -4.870  -2.989   3.503
  150    HA   LYS  22           HA       LYS  22  -2.236  -2.076   4.252
  151   1HB   LYS  22           HB2      LYS  22  -4.051  -1.605   5.720
  152   2HB   LYS  22           HB1      LYS  22  -4.630  -3.270   5.659
  153   1HG   LYS  22           HG2      LYS  22  -3.097  -4.007   7.198
  154   2HG   LYS  22           HG1      LYS  22  -1.863  -2.863   6.669
  155   1HD   LYS  22           HD2      LYS  22  -2.887  -1.059   7.859
  156   2HD   LYS  22           HD1      LYS  22  -4.353  -1.996   8.151
  157   1HE   LYS  22           HE2      LYS  22  -1.625  -2.783   9.233
  158   2HE   LYS  22           HE1      LYS  22  -2.837  -1.879  10.164
  159   1HZ   LYS  22           HZ2      LYS  22  -4.349  -3.810   9.160
  160   2HZ   LYS  22           HZ1      LYS  22  -2.878  -4.652   9.274
  161   3HZ   LYS  22           HZ3      LYS  22  -3.561  -3.950  10.658
  162    H    LYS  23           HN       LYS  23  -3.892  -5.203   4.120
  163    HA   LYS  23           HA       LYS  23  -1.732  -6.724   5.238
  164   1HB   LYS  23           HB2      LYS  23  -3.908  -7.674   5.252
  165   2HB   LYS  23           HB1      LYS  23  -4.153  -7.315   3.542
  166   1HG   LYS  23           HG2      LYS  23  -1.819  -9.030   4.094
  167   2HG   LYS  23           HG1      LYS  23  -3.370  -9.759   4.514
  168   1HD   LYS  23           HD2      LYS  23  -4.102  -8.839   2.152
  169   2HD   LYS  23           HD1      LYS  23  -2.367  -8.855   1.834
  170   1HE   LYS  23           HE2      LYS  23  -4.012 -11.234   2.773
  171   2HE   LYS  23           HE1      LYS  23  -3.342 -11.005   1.146
  172   1HZ   LYS  23           HZ2      LYS  23  -1.158 -10.589   2.470
  173   2HZ   LYS  23           HZ1      LYS  23  -1.933 -11.495   3.680
  174   3HZ   LYS  23           HZ3      LYS  23  -1.661 -12.181   2.153
  175    H    ALA  24           HN       ALA  24  -2.336  -5.359   2.151
  176    HA   ALA  24           HA       ALA  24  -0.679  -7.087   0.563
  177   1HB   ALA  24           HB1      ALA  24  -2.579  -5.310   0.029
  178   2HB   ALA  24           HB3      ALA  24  -1.200  -4.219  -0.109
  179   3HB   ALA  24           HB2      ALA  24  -1.306  -5.642  -1.145
  180    H    LEU  25           HN       LEU  25  -0.158  -3.767   1.830
  181    HA   LEU  25           HA       LEU  25   2.581  -3.554   1.024
  182   1HB   LEU  25           HB2      LEU  25   1.344  -2.332   3.501
  183   2HB   LEU  25           HB1      LEU  25   2.584  -1.640   2.459
  184    HG   LEU  25           HG       LEU  25   0.290  -2.239   0.856
  185   1HD1  LEU  25          HD13      LEU  25  -0.793  -2.116   3.156
  186   2HD1  LEU  25          HD12      LEU  25  -0.311  -0.421   3.197
  187   3HD1  LEU  25          HD11      LEU  25  -1.429  -0.991   1.957
  188   1HD2  LEU  25          HD21      LEU  25   2.005   0.059   1.606
  189   2HD2  LEU  25          HD23      LEU  25   1.465  -0.465   0.013
  190   3HD2  LEU  25          HD22      LEU  25   0.388   0.479   1.042
  191    H    SER  26           HN       SER  26   1.023  -5.038   3.804
  192    HA   SER  26           HA       SER  26   3.442  -5.395   5.375
  193   1HB   SER  26           HB2      SER  26   0.582  -6.219   5.399
  194   2HB   SER  26           HB1      SER  26   1.694  -7.250   6.295
  195    HG   SER  26           HG       SER  26   0.788  -5.440   7.490
  196    H    LYS  27           HN       LYS  27   1.802  -7.150   2.820
  197    HA   LYS  27           HA       LYS  27   3.664  -9.435   3.191
  198   1HB   LYS  27           HB2      LYS  27   2.086 -10.637   1.730
  199   2HB   LYS  27           HB1      LYS  27   1.232  -9.886   3.075
  200   1HG   LYS  27           HG2      LYS  27  -0.080  -9.382   1.162
  201   2HG   LYS  27           HG1      LYS  27   0.817  -7.905   1.489
  202   1HD   LYS  27           HD2      LYS  27   2.179  -8.153  -0.361
  203   2HD   LYS  27           HD1      LYS  27   2.060  -9.913  -0.338
  204   1HE   LYS  27           HE2      LYS  27  -0.359  -8.214  -0.969
  205   2HE   LYS  27           HE1      LYS  27   0.797  -8.676  -2.236
  206   1HZ   LYS  27           HZ1      LYS  27  -0.224 -10.685  -0.332
  207   2HZ   LYS  27           HZ3      LYS  27  -1.135 -10.276  -1.702
  208   3HZ   LYS  27           HZ2      LYS  27   0.427 -10.920  -1.883
  209    H    VAL  28           HN       VAL  28   3.776  -6.581   1.652
  210    HA   VAL  28           HA       VAL  28   4.301  -7.096  -1.082
  211    HB   VAL  28           HB       VAL  28   5.149  -5.082   0.978
  212   1HG1  VAL  28          HG12      VAL  28   6.430  -5.498  -1.713
  213   2HG1  VAL  28          HG11      VAL  28   6.250  -3.867  -1.067
  214   3HG1  VAL  28          HG13      VAL  28   7.188  -5.067  -0.180
  215   1HG2  VAL  28          HG23      VAL  28   2.946  -5.110  -0.349
  216   2HG2  VAL  28          HG22      VAL  28   3.851  -3.599  -0.352
  217   3HG2  VAL  28          HG21      VAL  28   3.918  -4.670  -1.751
  218    H    GLU  29           HN       GLU  29   6.983  -6.365   1.144
  219    HA   GLU  29           HA       GLU  29   8.392  -8.839   0.895
  220   1HB   GLU  29           HB2      GLU  29   8.415  -6.995  -1.382
  221   2HB   GLU  29           HB1      GLU  29  10.039  -7.405  -0.826
  222   1HG   GLU  29           HG2      GLU  29   8.784  -9.842  -0.734
  223   2HG   GLU  29           HG1      GLU  29   8.023  -9.096  -2.139
  224    H    GLY  30           HN       GLY  30   9.869  -5.712   0.170
  225   1HA   GLY  30           HA2      GLY  30  11.576  -5.934   2.533
  226   2HA   GLY  30           HA1      GLY  30  11.631  -4.643   1.334
  227    H    VAL  31           HN       VAL  31   8.455  -4.885   2.163
  228    HA   VAL  31           HA       VAL  31   8.094  -2.416   3.371
  229    HB   VAL  31           HB       VAL  31   6.420  -4.237   2.661
  230   1HG1  VAL  31          HG13      VAL  31   6.920  -5.075   5.535
  231   2HG1  VAL  31          HG12      VAL  31   5.614  -5.676   4.514
  232   3HG1  VAL  31          HG11      VAL  31   7.292  -6.030   4.100
  233   1HG2  VAL  31          HG22      VAL  31   6.168  -2.466   5.080
  234   2HG2  VAL  31          HG21      VAL  31   5.445  -2.271   3.484
  235   3HG2  VAL  31          HG23      VAL  31   4.815  -3.487   4.595
  236    H    SER  32           HN       SER  32   8.544  -1.511   5.279
  237    HA   SER  32           HA       SER  32   9.713  -3.231   7.428
  238   1HB   SER  32           HB2      SER  32  10.206  -0.492   6.348
  239   2HB   SER  32           HB1      SER  32  10.472  -0.734   8.073
  240    HG   SER  32           HG       SER  32  11.666  -2.714   7.236
  241    H    LYS  33           HN       LYS  33   7.142  -1.164   6.515
  242    HA   LYS  33           HA       LYS  33   5.727  -1.641   9.028
  243   1HB   LYS  33           HB2      LYS  33   7.021   0.058   9.975
  244   2HB   LYS  33           HB1      LYS  33   7.185   0.919   8.448
  245   1HG   LYS  33           HG2      LYS  33   5.191   2.023   8.696
  246   2HG   LYS  33           HG1      LYS  33   4.435   0.678   9.551
  247   1HD   LYS  33           HD2      LYS  33   5.715   1.201  11.573
  248   2HD   LYS  33           HD1      LYS  33   6.551   2.505  10.728
  249   1HE   LYS  33           HE2      LYS  33   3.834   3.048  10.302
  250   2HE   LYS  33           HE1      LYS  33   3.933   2.545  12.002
  251   1HZ   LYS  33           HZ2      LYS  33   5.874   4.019  12.242
  252   2HZ   LYS  33           HZ1      LYS  33   5.626   4.583  10.657
  253   3HZ   LYS  33           HZ3      LYS  33   4.458   4.873  11.852
  254    H    VAL  34           HN       VAL  34   3.481  -0.766   8.867
  255    HA   VAL  34           HA       VAL  34   2.745   0.473   6.283
  256    HB   VAL  34           HB       VAL  34   2.114  -2.353   7.133
  257   1HG1  VAL  34          HG12      VAL  34   0.652  -0.674   5.069
  258   2HG1  VAL  34          HG11      VAL  34   0.448  -2.411   5.291
  259   3HG1  VAL  34          HG13      VAL  34  -0.031  -1.297   6.571
  260   1HG2  VAL  34          HG22      VAL  34   3.187  -1.036   4.621
  261   2HG2  VAL  34          HG21      VAL  34   4.062  -2.101   5.722
  262   3HG2  VAL  34          HG23      VAL  34   2.760  -2.744   4.720
  263    H    ASP  35           HN       ASP  35   0.769   1.509   6.364
  264    HA   ASP  35           HA       ASP  35  -0.985   1.155   8.745
  265   1HB   ASP  35           HB2      ASP  35   0.911   3.181   8.499
  266   2HB   ASP  35           HB1      ASP  35  -0.561   3.944   7.896
  267    H    VAL  36           HN       VAL  36  -3.224   1.893   8.186
  268    HA   VAL  36           HA       VAL  36  -3.602   2.783   5.392
  269    HB   VAL  36           HB       VAL  36  -4.375   0.076   6.482
  270   1HG1  VAL  36          HG11      VAL  36  -5.479   1.634   4.147
  271   2HG1  VAL  36          HG13      VAL  36  -5.457  -0.130   4.129
  272   3HG1  VAL  36          HG12      VAL  36  -6.357   0.729   5.379
  273   1HG2  VAL  36          HG22      VAL  36  -2.654   1.133   4.244
  274   2HG2  VAL  36          HG21      VAL  36  -2.235  -0.031   5.501
  275   3HG2  VAL  36          HG23      VAL  36  -3.303  -0.506   4.180
  276    H    GLY  37           HN       GLY  37  -5.763   3.339   4.894
  277   1HA   GLY  37           HA2      GLY  37  -7.573   3.694   7.237
  278   2HA   GLY  37           HA1      GLY  37  -7.356   4.966   6.023
  279    H    PHE  38           HN       PHE  38  -8.456   1.658   6.492
  280    HA   PHE  38           HA       PHE  38  -9.232   0.753   4.105
  281   1HB   PHE  38           HB2      PHE  38 -11.512   0.182   5.529
  282   2HB   PHE  38           HB1      PHE  38  -9.997  -0.683   5.687
  283    HD1  PHE  38           HD1      PHE  38 -12.143   1.947   7.228
  284    HD2  PHE  38           HD2      PHE  38  -8.591  -0.441   7.635
  285    HE1  PHE  38           HE1      PHE  38 -11.969   2.605   9.604
  286    HE2  PHE  38           HE2      PHE  38  -8.425   0.220  10.015
  287    HZ   PHE  38           HZ       PHE  38 -10.113   1.744  11.000
  288    H    GLU  39           HN       GLU  39 -12.214   1.790   5.495
  289    HA   GLU  39           HA       GLU  39 -13.683   2.589   3.416
  290   1HB   GLU  39           HB2      GLU  39 -13.432   3.352   6.187
  291   2HB   GLU  39           HB1      GLU  39 -13.956   4.743   5.238
  292   1HG   GLU  39           HG2      GLU  39 -15.969   3.634   5.831
  293   2HG   GLU  39           HG1      GLU  39 -15.666   3.146   4.164
  294    H    LYS  40           HN       LYS  40 -11.165   4.708   4.813
  295    HA   LYS  40           HA       LYS  40 -11.512   6.666   2.616
  296   1HB   LYS  40           HB2      LYS  40  -9.820   6.450   5.120
  297   2HB   LYS  40           HB1      LYS  40  -9.623   7.772   3.969
  298   1HG   LYS  40           HG2      LYS  40 -11.330   8.839   4.971
  299   2HG   LYS  40           HG1      LYS  40 -12.401   7.545   4.435
  300   1HD   LYS  40           HD2      LYS  40 -12.717   7.046   6.611
  301   2HD   LYS  40           HD1      LYS  40 -11.052   6.463   6.634
  302   1HE   LYS  40           HE2      LYS  40 -10.930   9.303   6.824
  303   2HE   LYS  40           HE1      LYS  40 -12.141   8.747   7.996
  304   1HZ   LYS  40           HZ1      LYS  40 -10.581   7.072   8.769
  305   2HZ   LYS  40           HZ3      LYS  40  -9.417   7.601   7.655
  306   3HZ   LYS  40           HZ2      LYS  40  -9.901   8.621   8.925
  307    H    ARG  41           HN       ARG  41 -10.808   4.259   1.571
  308    HA   ARG  41           HA       ARG  41  -8.655   2.970   1.078
  309   1HB   ARG  41           HB2      ARG  41  -8.779   3.415  -1.322
  310   2HB   ARG  41           HB1      ARG  41 -10.394   3.396  -0.618
  311   1HG   ARG  41           HG2      ARG  41 -10.739   5.464  -1.431
  312   2HG   ARG  41           HG1      ARG  41  -9.436   6.061  -0.403
  313   1HD   ARG  41           HD2      ARG  41  -8.070   4.843  -2.490
  314   2HD   ARG  41           HD1      ARG  41  -9.445   5.605  -3.304
  315    HE   ARG  41           HE       ARG  41  -7.199   6.985  -2.194
  316   1HH1  ARG  41          HH21      ARG  41 -10.660   7.137  -2.218
  317   2HH1  ARG  41          HH22      ARG  41 -10.708   8.773  -1.661
  318   1HH2  ARG  41          HH11      ARG  41  -7.266   9.112  -1.494
  319   2HH2  ARG  41          HH12      ARG  41  -8.795   9.892  -1.264
  320    H    GLU  42           HN       GLU  42  -7.020   4.101   2.517
  321    HA   GLU  42           HA       GLU  42  -5.079   5.547   0.776
  322   1HB   GLU  42           HB2      GLU  42  -6.618   7.193   1.932
  323   2HB   GLU  42           HB1      GLU  42  -5.991   6.604   3.472
  324   1HG   GLU  42           HG2      GLU  42  -4.088   7.529   1.335
  325   2HG   GLU  42           HG1      GLU  42  -4.886   8.708   2.375
  326    H    ALA  43           HN       ALA  43  -3.327   4.118   1.027
  327    HA   ALA  43           HA       ALA  43  -2.768   3.113   3.792
  328   1HB   ALA  43           HB2      ALA  43  -2.098   2.126   1.010
  329   2HB   ALA  43           HB1      ALA  43  -1.469   1.377   2.478
  330   3HB   ALA  43           HB3      ALA  43  -3.205   1.389   2.168
  331    H    VAL  44           HN       VAL  44  -0.985   3.916   4.809
  332    HA   VAL  44           HA       VAL  44   1.087   5.314   3.159
  333    HB   VAL  44           HB       VAL  44  -0.353   5.822   5.646
  334   1HG1  VAL  44          HG13      VAL  44   2.665   5.775   5.728
  335   2HG1  VAL  44          HG12      VAL  44   1.748   6.907   6.722
  336   3HG1  VAL  44          HG11      VAL  44   1.523   5.170   6.929
  337   1HG2  VAL  44          HG23      VAL  44  -0.042   7.283   3.590
  338   2HG2  VAL  44          HG22      VAL  44   0.214   8.084   5.140
  339   3HG2  VAL  44          HG21      VAL  44   1.597   7.588   4.165
  340    H    VAL  45           HN       VAL  45   2.921   4.105   2.907
  341    HA   VAL  45           HA       VAL  45   3.520   2.053   5.026
  342    HB   VAL  45           HB       VAL  45   2.607   1.178   2.933
  343   1HG1  VAL  45          HG13      VAL  45   5.007   2.522   1.663
  344   2HG1  VAL  45          HG12      VAL  45   3.874   1.458   0.830
  345   3HG1  VAL  45          HG11      VAL  45   3.326   3.011   1.459
  346   1HG2  VAL  45          HG22      VAL  45   4.804   0.251   4.242
  347   2HG2  VAL  45          HG21      VAL  45   4.057  -0.592   2.888
  348   3HG2  VAL  45          HG23      VAL  45   5.459   0.441   2.618
  349    H    THR  46           HN       THR  46   5.653   1.477   5.356
  350    HA   THR  46           HA       THR  46   7.773   3.364   4.404
  351    HB   THR  46           HB       THR  46   7.108   2.138   7.079
  352    HG1  THR  46           HG1      THR  46   7.623   4.268   7.730
  353   1HG2  THR  46          HG21      THR  46   9.786   2.459   5.893
  354   2HG2  THR  46          HG23      THR  46   9.605   3.206   7.480
  355   3HG2  THR  46          HG22      THR  46   9.276   1.485   7.272
  356    H    PHE  47           HN       PHE  47   9.844   2.180   3.955
  357    HA   PHE  47           HA       PHE  47   9.947  -0.680   4.358
  358   1HB   PHE  47           HB2      PHE  47   9.549  -1.340   2.044
  359   2HB   PHE  47           HB1      PHE  47   8.161  -0.425   2.634
  360    HD1  PHE  47           HD2      PHE  47  11.221  -0.263   0.539
  361    HD2  PHE  47           HD1      PHE  47   7.621   1.756   1.757
  362    HE1  PHE  47           HE2      PHE  47  11.530   1.391  -1.276
  363    HE2  PHE  47           HE1      PHE  47   7.934   3.403  -0.067
  364    HZ   PHE  47           HZ       PHE  47   9.889   3.224  -1.574
  365    H    ASP  48           HN       ASP  48  11.638  -1.625   2.778
  366    HA   ASP  48           HA       ASP  48  13.972   0.242   2.679
  367   1HB   ASP  48           HB2      ASP  48  13.889  -2.788   2.551
  368   2HB   ASP  48           HB1      ASP  48  15.286  -1.772   2.908
  369    H    ASP  49           HN       ASP  49  14.127   1.054   0.606
  370    HA   ASP  49           HA       ASP  49  12.873  -0.090  -1.673
  371   1HB   ASP  49           HB2      ASP  49  13.337   2.161  -1.868
  372   2HB   ASP  49           HB1      ASP  49  14.905   2.014  -1.079
  373    H    THR  50           HN       THR  50  15.639  -1.196  -0.039
  374    HA   THR  50           HA       THR  50  17.202  -2.138  -2.291
  375    HB   THR  50           HB       THR  50  17.832  -1.742   0.193
  376    HG1  THR  50           HG1      THR  50  19.026  -2.931  -1.543
  377   1HG2  THR  50          HG23      THR  50  15.866  -3.364   0.841
  378   2HG2  THR  50          HG22      THR  50  17.065  -4.623   0.545
  379   3HG2  THR  50          HG21      THR  50  17.364  -3.393   1.773
  380    H    LYS  51           HN       LYS  51  14.216  -3.132  -0.987
  381    HA   LYS  51           HA       LYS  51  14.443  -5.767  -2.382
  382   1HB   LYS  51           HB2      LYS  51  13.908  -5.087   0.403
  383   2HB   LYS  51           HB1      LYS  51  12.633  -6.091  -0.289
  384   1HG   LYS  51           HG2      LYS  51  14.349  -7.704  -1.070
  385   2HG   LYS  51           HG1      LYS  51  15.601  -6.716  -0.318
  386   1HD   LYS  51           HD2      LYS  51  15.103  -7.460   1.769
  387   2HD   LYS  51           HD1      LYS  51  13.365  -7.384   1.479
  388   1HE   LYS  51           HE2      LYS  51  13.392  -9.649   1.332
  389   2HE   LYS  51           HE1      LYS  51  14.308  -9.468  -0.178
  390   1HZ   LYS  51           HZ1      LYS  51  16.245  -9.004   1.516
  391   2HZ   LYS  51           HZ3      LYS  51  15.289  -9.960   2.540
  392   3HZ   LYS  51           HZ2      LYS  51  15.840 -10.590   1.061
  393    H    ALA  52           HN       ALA  52  12.330  -3.243  -1.165
  394    HA   ALA  52           HA       ALA  52  10.321  -3.940  -3.287
  395   1HB   ALA  52           HB3      ALA  52  10.093  -3.969  -0.489
  396   2HB   ALA  52           HB2      ALA  52   9.292  -2.478  -0.988
  397   3HB   ALA  52           HB1      ALA  52   8.763  -4.027  -1.646
  398    H    SER  53           HN       SER  53   8.735  -1.729  -3.198
  399    HA   SER  53           HA       SER  53  10.229   0.764  -3.024
  400   1HB   SER  53           HB2      SER  53   9.477   0.226  -5.833
  401   2HB   SER  53           HB1      SER  53  10.924   0.996  -5.191
  402    HG   SER  53           HG       SER  53  10.809  -1.357  -6.183
  403    H    VAL  54           HN       VAL  54   8.856   2.586  -3.486
  404    HA   VAL  54           HA       VAL  54   6.202   2.550  -2.774
  405    HB   VAL  54           HB       VAL  54   7.706   4.511  -3.301
  406   1HG1  VAL  54          HG11      VAL  54   6.920   3.729  -6.120
  407   2HG1  VAL  54          HG13      VAL  54   7.568   5.315  -5.702
  408   3HG1  VAL  54          HG12      VAL  54   8.550   3.870  -5.461
  409   1HG2  VAL  54          HG23      VAL  54   5.116   4.555  -3.058
  410   2HG2  VAL  54          HG22      VAL  54   5.912   5.965  -3.755
  411   3HG2  VAL  54          HG21      VAL  54   5.110   4.795  -4.804
  412    H    GLN  55           HN       GLN  55   7.541   1.617  -5.892
  413    HA   GLN  55           HA       GLN  55   5.020   1.502  -7.309
  414   1HB   GLN  55           HB2      GLN  55   7.134   1.633  -8.487
  415   2HB   GLN  55           HB1      GLN  55   7.733   0.190  -7.668
  416   1HG   GLN  55           HG2      GLN  55   6.343  -1.243  -8.887
  417   2HG   GLN  55           HG1      GLN  55   5.210   0.046  -9.296
  418   1HE2  GLN  55          HE22      GLN  55   8.293  -0.736 -11.774
  419   2HE2  GLN  55          HE21      GLN  55   7.943  -1.708 -10.427
  420    H    LYS  56           HN       LYS  56   7.079  -0.988  -5.757
  421    HA   LYS  56           HA       LYS  56   5.320  -3.191  -6.166
  422   1HB   LYS  56           HB2      LYS  56   7.296  -2.650  -3.930
  423   2HB   LYS  56           HB1      LYS  56   6.729  -4.236  -4.454
  424   1HG   LYS  56           HG2      LYS  56   7.590  -3.225  -6.825
  425   2HG   LYS  56           HG1      LYS  56   8.707  -2.427  -5.718
  426   1HD   LYS  56           HD2      LYS  56   9.903  -4.344  -5.779
  427   2HD   LYS  56           HD1      LYS  56   8.634  -5.027  -4.762
  428   1HE   LYS  56           HE2      LYS  56   8.107  -6.464  -6.431
  429   2HE   LYS  56           HE1      LYS  56   7.702  -5.084  -7.471
  430   1HZ   LYS  56           HZ3      LYS  56  10.069  -4.820  -7.955
  431   2HZ   LYS  56           HZ2      LYS  56  10.425  -6.187  -7.011
  432   3HZ   LYS  56           HZ1      LYS  56   9.514  -6.348  -8.437
  433    H    LEU  57           HN       LEU  57   5.171  -0.540  -3.834
  434    HA   LEU  57           HA       LEU  57   3.486  -1.941  -1.912
  435   1HB   LEU  57           HB2      LEU  57   3.733   1.029  -2.507
  436   2HB   LEU  57           HB1      LEU  57   3.214   0.298  -0.989
  437    HG   LEU  57           HG       LEU  57   5.969  -0.103  -2.209
  438   1HD1  LEU  57          HD12      LEU  57   4.968   2.214  -1.072
  439   2HD1  LEU  57          HD11      LEU  57   5.748   1.412   0.289
  440   3HD1  LEU  57          HD13      LEU  57   6.675   1.777  -1.167
  441   1HD2  LEU  57          HD22      LEU  57   4.751  -0.784   0.486
  442   2HD2  LEU  57          HD21      LEU  57   5.338  -1.922  -0.728
  443   3HD2  LEU  57          HD23      LEU  57   6.476  -0.882   0.129
  444    H    THR  58           HN       THR  58   2.869   0.456  -4.470
  445    HA   THR  58           HA       THR  58  -0.006   0.315  -4.379
  446    HB   THR  58           HB       THR  58   1.483   0.909  -6.900
  447    HG1  THR  58           HG1      THR  58   1.900   2.141  -4.418
  448   1HG2  THR  58          HG23      THR  58  -0.946   1.365  -6.615
  449   2HG2  THR  58          HG22      THR  58  -0.560   2.465  -5.291
  450   3HG2  THR  58          HG21      THR  58  -0.021   2.834  -6.929
  451    H    LYS  59           HN       LYS  59   2.490  -1.702  -5.649
  452    HA   LYS  59           HA       LYS  59   0.803  -3.083  -7.612
  453   1HB   LYS  59           HB2      LYS  59   3.520  -2.715  -7.138
  454   2HB   LYS  59           HB1      LYS  59   3.255  -4.396  -6.675
  455   1HG   LYS  59           HG2      LYS  59   3.232  -4.961  -8.850
  456   2HG   LYS  59           HG1      LYS  59   1.789  -3.969  -9.066
  457   1HD   LYS  59           HD2      LYS  59   4.010  -2.197  -8.916
  458   2HD   LYS  59           HD1      LYS  59   4.444  -3.484 -10.042
  459   1HE   LYS  59           HE2      LYS  59   3.236  -2.309 -11.580
  460   2HE   LYS  59           HE1      LYS  59   1.802  -2.906 -10.720
  461   1HZ   LYS  59           HZ2      LYS  59   2.561  -0.941  -9.101
  462   2HZ   LYS  59           HZ1      LYS  59   3.084  -0.297 -10.584
  463   3HZ   LYS  59           HZ3      LYS  59   1.455  -0.715 -10.370
  464    H    ALA  60           HN       ALA  60   1.651  -3.338  -4.226
  465    HA   ALA  60           HA       ALA  60   0.893  -6.126  -3.905
  466   1HB   ALA  60           HB3      ALA  60   1.584  -3.761  -2.225
  467   2HB   ALA  60           HB2      ALA  60   0.654  -5.036  -1.438
  468   3HB   ALA  60           HB1      ALA  60   2.221  -5.404  -2.157
  469    H    THR  61           HN       THR  61  -0.743  -2.991  -3.418
  470    HA   THR  61           HA       THR  61  -3.276  -4.269  -2.640
  471    HB   THR  61           HB       THR  61  -2.590  -2.023  -1.892
  472    HG1  THR  61           HG1      THR  61  -4.689  -1.436  -3.602
  473   1HG2  THR  61          HG22      THR  61  -2.753  -1.335  -4.836
  474   2HG2  THR  61          HG21      THR  61  -2.609  -0.148  -3.542
  475   3HG2  THR  61          HG23      THR  61  -1.306  -1.298  -3.828
  476    H    ALA  62           HN       ALA  62  -1.795  -2.876  -5.530
  477    HA   ALA  62           HA       ALA  62  -4.051  -3.096  -7.276
  478   1HB   ALA  62           HB1      ALA  62  -1.048  -3.045  -7.557
  479   2HB   ALA  62           HB3      ALA  62  -2.059  -3.300  -8.978
  480   3HB   ALA  62           HB2      ALA  62  -2.215  -1.815  -8.039
  481    H    ASP  63           HN       ASP  63  -1.747  -5.356  -5.942
  482    HA   ASP  63           HA       ASP  63  -2.468  -7.525  -7.796
  483   1HB   ASP  63           HB2      ASP  63  -0.226  -7.563  -7.035
  484   2HB   ASP  63           HB1      ASP  63  -0.690  -7.149  -5.385
  485    H    ALA  64           HN       ALA  64  -3.453  -6.251  -4.694
  486    HA   ALA  64           HA       ALA  64  -4.788  -8.642  -3.736
  487   1HB   ALA  64           HB1      ALA  64  -4.535  -5.760  -3.085
  488   2HB   ALA  64           HB3      ALA  64  -6.042  -6.511  -2.561
  489   3HB   ALA  64           HB2      ALA  64  -4.496  -7.155  -2.008
  490    H    GLY  65           HN       GLY  65  -5.417  -6.211  -6.088
  491   1HA   GLY  65           HA2      GLY  65  -7.180  -6.729  -7.763
  492   2HA   GLY  65           HA1      GLY  65  -8.185  -7.261  -6.416
  493    H    TYR  66           HN       TYR  66  -6.150  -4.435  -6.151
  494    HA   TYR  66           HA       TYR  66  -8.577  -2.696  -6.413
  495   1HB   TYR  66           HB2      TYR  66  -6.475  -2.584  -4.224
  496   2HB   TYR  66           HB1      TYR  66  -7.976  -1.658  -4.300
  497    HD1  TYR  66           HD1      TYR  66  -9.992  -3.514  -5.106
  498    HD2  TYR  66           HD2      TYR  66  -6.641  -4.178  -2.485
  499    HE1  TYR  66           HE1      TYR  66 -11.197  -5.399  -4.035
  500    HE2  TYR  66           HE2      TYR  66  -7.854  -6.051  -1.414
  501    HH   TYR  66           HH       TYR  66 -11.165  -6.922  -2.422
  502    HA   PRO  67           HA       PRO  67  -5.136  -1.135  -9.081
  503   1HB   PRO  67           HB2      PRO  67  -7.302   0.485 -10.183
  504   2HB   PRO  67           HB1      PRO  67  -6.313  -0.736 -10.991
  505   1HG   PRO  67           HG2      PRO  67  -9.034  -0.985 -10.194
  506   2HG   PRO  67           HG1      PRO  67  -7.999  -2.246 -10.870
  507   1HD   PRO  67           HD2      PRO  67  -8.999  -2.049  -8.175
  508   2HD   PRO  67           HD1      PRO  67  -7.920  -3.298  -8.847
  509    H    SER  68           HN       SER  68  -4.127   0.109  -7.457
  510    HA   SER  68           HA       SER  68  -5.564   2.561  -6.533
  511   1HB   SER  68           HB2      SER  68  -3.689   2.441  -4.782
  512   2HB   SER  68           HB1      SER  68  -4.878   1.142  -4.752
  513    HG   SER  68           HG       SER  68  -2.250   0.975  -5.087
  514    H    SER  69           HN       SER  69  -3.516   4.114  -5.727
  515    HA   SER  69           HA       SER  69  -1.592   4.520  -7.939
  516   1HB   SER  69           HB2      SER  69  -3.997   6.186  -7.268
  517   2HB   SER  69           HB1      SER  69  -2.534   7.018  -7.789
  518    HG   SER  69           HG       SER  69  -4.250   5.337  -9.182
  519    H    VAL  70           HN       VAL  70   0.312   5.170  -6.957
  520    HA   VAL  70           HA       VAL  70   0.171   5.912  -4.095
  521    HB   VAL  70           HB       VAL  70   1.529   4.038  -4.787
  522   1HG1  VAL  70          HG13      VAL  70   2.108   5.780  -7.006
  523   2HG1  VAL  70          HG12      VAL  70   3.621   5.263  -6.261
  524   3HG1  VAL  70          HG11      VAL  70   2.466   4.061  -6.836
  525   1HG2  VAL  70          HG21      VAL  70   2.402   6.068  -3.198
  526   2HG2  VAL  70          HG23      VAL  70   3.312   4.581  -3.461
  527   3HG2  VAL  70          HG22      VAL  70   3.694   6.026  -4.397
  528    H    LYS  71           HN       LYS  71   1.489   7.696  -3.297
  529    HA   LYS  71           HA       LYS  71   2.185   9.682  -5.431
  530   1HB   LYS  71           HB2      LYS  71   1.097  11.368  -3.744
  531   2HB   LYS  71           HB1      LYS  71   0.045  10.401  -4.777
  532   1HG   LYS  71           HG2      LYS  71  -0.598   8.992  -3.041
  533   2HG   LYS  71           HG1      LYS  71   0.863   9.311  -2.108
  534   1HD   LYS  71           HD2      LYS  71  -0.510  10.663  -0.893
  535   2HD   LYS  71           HD1      LYS  71  -0.221  11.805  -2.205
  536   1HE   LYS  71           HE2      LYS  71  -2.555  11.790  -2.184
  537   2HE   LYS  71           HE1      LYS  71  -2.254  10.463  -3.324
  538   1HZ   LYS  71           HZ2      LYS  71  -2.255   9.927  -0.430
  539   2HZ   LYS  71           HZ1      LYS  71  -3.739  10.044  -1.249
  540   3HZ   LYS  71           HZ3      LYS  71  -2.605   8.873  -1.717
  541    H    GLN  72           HN       GLN  72   4.054   8.134  -4.076
  542    HA   GLN  72           HA       GLN  72   6.031   8.324  -2.789
  543   1HB   GLN  72           HB2      GLN  72   5.543  10.615  -4.316
  544   2HB   GLN  72           HB1      GLN  72   5.970  11.240  -2.723
  545   1HG   GLN  72           HG2      GLN  72   8.130  10.599  -2.932
  546   2HG   GLN  72           HG1      GLN  72   7.682   9.019  -3.575
  547   1HE2  GLN  72          HE22      GLN  72   7.544  11.914  -6.465
  548   2HE2  GLN  72          HE21      GLN  72   6.645  12.098  -5.037
   
  No H/Q in entry =         548