*HEADER   MERCURY DETOXIFICATION                  07-MAR-97   1AFI    
*TITLE    STRUCTURE OF THE REDUCED FORM OF MERP, THE PERIPLASMIC      
*TITLE   2 PROTEIN FROM THE BACTERIAL MERCURY DETOXIFICATION SYSTEM,  
*TITLE   3 NMR, 20 STRUCTURES                                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: MERP;                                            
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: MERCURIC TRANSPORT PROTEIN;                       
*COMPND  5 ENGINEERED: MERP GENE AMPLIFIED USING PCR;                 
*COMPND  6 BIOLOGICAL_UNIT: MONOMER;                                  
*COMPND  7 OTHER_DETAILS: THE PROTEIN STUDIED EXCLUDES THE PRECURSOR  
*COMPND  8 SIGNAL SEQUENCE.  THIS IS THE NATIVE FORM OF THE PROTEIN   
*COMPND  9 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 1AFI    0                                      


assign (resid   48  and name HA    ) (resid    2  and name HA    )   2.58  0.68  0.12
assign (resid    1  and name HA    ) (resid    2  and name HN    )   2.24  0.34  0.46
assign (resid    1  and name HB+   ) (resid    2  and name HN    )   2.78  0.88  1.52
assign (resid    2  and name HA    ) (resid    2  and name HN    )   2.82  0.92  0.48
assign (resid    2  and name HB    ) (resid    2  and name HN    )   2.88  0.98  0.42
assign (resid    2  and name HG2+  ) (resid    2  and name HN    )   2.77  0.87  1.53
assign (resid    3  and name HG+   ) (resid    2  and name HN    )   3.99  2.09  2.01
assign (resid    3  and name HN    ) (resid    2  and name HN    )   2.98  1.08  0.32

assign (resid    2  and name HA    ) (resid    3  and name HN    )   2.31  0.41  0.39
assign (resid    2  and name HB    ) (resid    3  and name HN    )   2.72  0.82  2.28  
assign (resid    2  and name HN    ) (resid    3  and name HN    )   3.09  1.19  0.21
assign (resid    3  and name HB+   ) (resid    3  and name HN    )   2.63  0.73  1.07
assign (resid    3  and name HB+   ) (resid    3  and name HN    )   3.14  1.24  1.16
assign (resid    3  and name HG+   ) (resid    3  and name HN    )   3.09  1.19  1.21
assign (resid   46  and name HA    ) (resid    3  and name HN    )   3.49  1.59  1.51
assign (resid   46  and name HG2+  ) (resid    3  and name HN    )   3.40  1.50  2.60
assign (resid   47  and name HA    ) (resid    3  and name HN    )   4.35  2.45  0.65
assign (resid   47  and name HD2   ) (resid    3  and name HN    )   4.24  2.34  0.76
assign (resid   47  and name HN    ) (resid    3  and name HN    )   2.88  0.98  0.42
assign (resid   49  and name HB+   ) (resid    3  and name HN    )   4.43  2.53  1.57
assign (resid   49  and name HN    ) (resid    3  and name HN    )   3.80  1.90  1.20

assign (resid   46  and name HA    ) (resid    4  and name HA    )   2.18  0.28  0.52
assign (resid    3  and name HA    ) (resid    4  and name HN    )   2.42  0.52  0.28
assign (resid    3  and name HB+   ) (resid    4  and name HN    )   3.09  1.19  1.21
assign (resid    3  and name HB+   ) (resid    4  and name HN    )   3.43  1.53  2.57
assign (resid    3  and name HG+   ) (resid    4  and name HN    )   3.42  1.52  2.58
assign (resid    3  and name HN    ) (resid    4  and name HN    )   3.76  1.86  1.24
assign (resid    4  and name HA    ) (resid    4  and name HN    )   3.12  1.22  0.18
assign (resid    4  and name HB    ) (resid    4  and name HN    )   2.89  0.99  0.41
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    )   3.94  2.04  1.06

assign (resid    4  and name HA    ) (resid    5  and name HN    )   2.21  0.31  0.49
assign (resid    4  and name HB    ) (resid    5  and name HN    )   3.27  1.37  1.73 
assign (resid    4  and name HN    ) (resid    5  and name HN    )   3.80  1.90  1.20
assign (resid    5  and name HA    ) (resid    5  and name HN    )   2.84  0.94  0.46
assign (resid    5  and name HB    ) (resid    5  and name HN    )   3.14  1.24  0.16
assign (resid    5  and name HG*   ) (resid    5  and name HN    )   2.36  0.46  2.74
assign (resid    6  and name HA    ) (resid    5  and name HN    )   4.20  2.30  0.80
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    )   3.34  1.44  4.06
assign (resid   45  and name HB    ) (resid    5  and name HN    )   3.33  1.43  1.67
assign (resid   45  and name HN    ) (resid    5  and name HN    )   2.89  0.99  0.41
assign (resid   47  and name HD1   ) (resid    5  and name HN    )   3.77  1.87  1.23
assign (resid   47  and name HE1   ) (resid    5  and name HN    )   3.43  1.53  1.57
assign (resid   57  and name HD1+  ) (resid    5  and name HN    )   4.51  2.61  1.49

assign (resid   44  and name HA    ) (resid    6  and name HA    )   2.21  0.31  0.49
assign (resid    5  and name HA    ) (resid    6  and name HN    )   2.20  0.30  0.50
assign (resid    5  and name HB    ) (resid    6  and name HN    )   2.70  0.80  0.60
assign (resid    5  and name HN    ) (resid    6  and name HN    )   3.81  1.91  1.19
assign (resid    6  and name HA    ) (resid    6  and name HN    )   3.06  1.16  0.24
assign (resid    6  and name HB    ) (resid    6  and name HN    )   2.58  0.68  0.72 
assign (resid    6  and name HG2+  ) (resid    6  and name HN    )   2.48  0.58  1.22
assign (resid    7  and name HD*   ) (resid    6  and name HN    )   4.17  2.27  3.23
assign (resid    7  and name HN    ) (resid    6  and name HN    )   3.76  1.86  1.24
assign (resid   44  and name HG*   ) (resid    6  and name HN    )   4.01  2.11  3.39
assign (resid   45  and name HN    ) (resid    6  and name HN    )   4.33  2.43  0.67
assign (resid   71  and name HB+   ) (resid    6  and name HN    )   4.19  2.29  1.81
assign (resid   71  and name HN    ) (resid    6  and name HN    )   3.74  1.84  1.26

assign (resid   57   and name HD1+  ) (resid    7   and name HD1+  )   2.92  1.02  2.38
assign (resid   57   and name HD1+  ) (resid    7   and name HD2+  )   2.66  0.76  2.04
assign (resid   70  and name HA    ) (resid    7  and name HA    )   2.30  0.40  0.40
assign (resid    6  and name HA    ) (resid    7  and name HN    )   2.42  0.52  0.28
assign (resid    6  and name HB    ) (resid    7  and name HN    )   3.68  1.78  1.32
assign (resid    6  and name HG2+  ) (resid    7  and name HN    )   2.69  0.79  1.61 
assign (resid    6  and name HN    ) (resid    7  and name HN    )   4.09  2.19  0.91
assign (resid    7  and name HB+   ) (resid    7  and name HN    )   2.90  1.00  1.40
assign (resid    7  and name HD1+  ) (resid    7  and name HN    )   3.56  1.66  2.44
assign (resid    7  and name HD2+  ) (resid    7  and name HN    )   3.40  1.50  2.60
assign (resid    7  and name HG    ) (resid    7  and name HN    )   3.39  1.49  1.61
assign (resid    9  and name HG*   ) (resid    7  and name HN    )   3.62  1.72  3.78
assign (resid   42  and name HA    ) (resid    7  and name HN    )   4.08  2.18  0.92
assign (resid   42  and name HG+   ) (resid    7  and name HN    )   4.74  2.84  1.26
assign (resid   43  and name HN    ) (resid    7  and name HN    )   3.16  1.26  0.14
assign (resid   44  and name HA    ) (resid    7  and name HN    )   3.29  1.39  1.71 
assign (resid   44  and name HB    ) (resid    7  and name HN    )   4.20  2.30  0.80

assign (resid    7  and name HA    ) (resid    8  and name HN    )   2.27  0.37  0.43
assign (resid    7  and name HB+   ) (resid    8  and name HN    )   3.31  1.41  2.69
assign (resid    7  and name HD1+  ) (resid    8  and name HN    )   3.10  1.20  1.20
assign (resid    7  and name HG    ) (resid    8  and name HN    )   3.10  1.20  0.20
assign (resid    7  and name HN    ) (resid    8  and name HN    )   3.82  1.92  1.18
assign (resid    8  and name HA    ) (resid    8  and name HN    )   3.02  1.12  0.28
assign (resid    8  and name HB+   ) (resid    8  and name HN    )   2.41  0.51  1.29
assign (resid   68  and name HA    ) (resid    8  and name HN    )   3.78  1.88  1.22
assign (resid   68  and name HB+   ) (resid    8  and name HN    )   3.52  1.62  2.48
assign (resid   68  and name HB+   ) (resid    8  and name HN    )   4.48  2.58  1.52
assign (resid   69  and name HN    ) (resid    8  and name HN    )   2.96  1.06  0.34
assign (resid   70  and name HA    ) (resid    8  and name HN    )   3.12  1.22  0.18
assign (resid   70  and name HB    ) (resid    8  and name HN    )   4.33  2.43  0.67
assign (resid   70  and name HG*   ) (resid    8  and name HN    )   3.46  1.56  3.94
assign (resid   71  and name HD+   ) (resid    8  and name HN    )   3.46  1.56  2.54
assign (resid   71  and name HN    ) (resid    8  and name HN    )   3.43  1.53  1.57

assign (resid    8  and name HA    ) (resid    9  and name HN    )   2.22  0.32  0.48
assign (resid    8  and name HB+   ) (resid    9  and name HN    )   2.80  0.90  1.50
assign (resid    8  and name HN    ) (resid    9  and name HN    )   3.78  1.88  1.22
assign (resid    9  and name HB    ) (resid    9  and name HN    )   2.79  0.89  0.51
assign (resid    9  and name HG*   ) (resid    9  and name HN    )   2.72  0.82  1.98
assign (resid    9  and name HG*   ) (resid    9  and name HN    )   3.43  1.53  3.97
assign (resid   41  and name HB+   ) (resid    9  and name HN    )   3.43  1.53  2.57
assign (resid   41  and name HG+   ) (resid    9  and name HN    )   3.73  1.83  2.27
assign (resid   42  and name HA    ) (resid    9  and name HN    )   2.83  0.93  0.47
assign (resid   43  and name HB+   ) (resid    9  and name HN    )   4.13  2.23  1.87
assign (resid   43  and name HN    ) (resid    9  and name HN    )   3.73  1.83  1.27

assign (resid    9   and name HG*   ) (resid   11   and name HN    )   3.27  1.37  2.03
assign (resid    9   and name HG*   ) (resid   11   and name HN    )   4.30  2.40  2.70
assign (resid   11   and name HA+   ) (resid   11   and name HN    )   2.68  0.78  1.02
assign (resid   11   and name HA+   ) (resid   11   and name HN    )   2.79  0.89  1.51
assign (resid   12   and name HG+   ) (resid   11   and name HN    )   4.82  2.92  1.18
assign (resid   12   and name HN    ) (resid   11   and name HN    )   3.30  1.40  0.00
assign (resid   17   and name HA    ) (resid   11   and name HN    )   3.42  1.52  1.58
assign (resid   17   and name HB+   ) (resid   11   and name HN    )   3.90  2.00  2.10
assign (resid   66   and name HB+   ) (resid   11   and name HN    )   3.97  2.07  2.03
assign (resid   66   and name HD1   ) (resid   11   and name HN    )   3.90  2.00  1.10
assign (resid    9   and name HG*   ) (resid   12   and name HN    )   3.28  1.38  2.02
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    )   3.55  1.65  2.45
assign (resid   11   and name HA+   ) (resid   12   and name HN    )   3.59  1.69  2.41
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    )   3.33  1.43  1.67
assign (resid   12   and name HB+   ) (resid   12   and name HN    )   2.81  0.91  1.49
assign (resid   12   and name HB+   ) (resid   12   and name HN    )   2.98  1.08  1.32
assign (resid   12   and name HG+   ) (resid   12   and name HN    )   2.87  0.97  1.43
assign (resid   13   and name HG2+  ) (resid   12   and name HN    )   4.42  2.52  1.58
assign (resid   13   and name HN    ) (resid   12   and name HN    )   4.51  2.61  0.49
assign (resid   41   and name HD+   ) (resid   12   and name HN    )   4.19  2.29  1.81
assign (resid   41   and name HD+   ) (resid   12   and name HN    )   3.78  1.88  2.22
assign (resid   66   and name HB+   ) (resid   12   and name HN    )   4.77  2.87  1.23
assign (resid   66   and name HD1   ) (resid   12   and name HN    )   3.97  2.07  1.03
assign (resid   12   and name HB+   ) (resid   13   and name HN    )   3.75  1.85  2.25
assign (resid   12   and name HN    ) (resid   13   and name HN    )   3.67  1.77  1.33
assign (resid   13   and name HG2+  ) (resid   13   and name HN    )   3.48  1.58  2.52
assign (resid   14   and name HN    ) (resid   13   and name HN    )   3.19  1.29  0.11
assign (resid   17   and name HB+   ) (resid   13   and name HN    )   3.94  2.04  2.06
assign (resid   41   and name HD+   ) (resid   13   and name HN    )   3.91  2.01  2.09
assign (resid   12   and name HB+   ) (resid   14   and name HN    )   4.34  2.44  1.66
assign (resid   12   and name HN    ) (resid   14   and name HN    )   4.37  2.47  0.63
assign (resid   13   and name HB    ) (resid   14   and name HN    )   4.46  2.56  0.54
assign (resid   13   and name HG2+  ) (resid   14   and name HN    )   3.92  2.02  2.08
assign (resid   13   and name HN    ) (resid   14   and name HN    )   3.19  1.29  0.11
assign (resid   14   and name HA    ) (resid   14   and name HN    )   3.77  1.87  1.23
assign (resid   14   and name HB+   ) (resid   14   and name HN    )   4.45  2.55  1.55
assign (resid   15   and name HN    ) (resid   14   and name HN    )   4.78  2.88  0.22
assign (resid   17   and name HB+   ) (resid   14   and name HN    )   3.87  1.97  2.13
assign (resid   17   and name HB+   ) (resid   14   and name HN    )   4.13  2.23  1.87
assign (resid   17   and name HN    ) (resid   14   and name HN    )   4.07  2.17  0.93
assign (resid   12   and name HA    ) (resid   15   and name HN    )   4.12  2.22  0.88
assign (resid   14   and name HA    ) (resid   15   and name HN    )   3.64  1.74  1.36
assign (resid   14   and name HB+   ) (resid   15   and name HN    )   4.05  2.15  1.95
assign (resid   14   and name HB+   ) (resid   15   and name HN    )   3.70  1.80  2.30
assign (resid   15   and name HB+   ) (resid   15   and name HN    )   3.15  1.25  1.15
assign (resid   16   and name HN    ) (resid   15   and name HN    )   4.32  2.42  0.68
assign (resid   12   and name HA    ) (resid   16   and name HN    )   4.00  2.10  1.00
assign (resid   14   and name HA    ) (resid   16   and name HN    )   4.29  2.39  0.71
assign (resid   14   and name HB+   ) (resid   16   and name HN    )   4.11  2.21  1.89
assign (resid   14   and name HB+   ) (resid   16   and name HN    )   3.90  2.00  2.10
assign (resid   15   and name HB+   ) (resid   16   and name HN    )   2.95  1.05  1.35
assign (resid   15   and name HN    ) (resid   16   and name HN    )   4.19  2.29  0.81
assign (resid   16   and name HA    ) (resid   16   and name HN    )   2.80  0.90  0.50
assign (resid   16   and name HB+   ) (resid   16   and name HN    )   2.39  0.49  1.31
assign (resid   17   and name HN    ) (resid   16   and name HN    )   2.81  0.91  0.49
assign (resid   19   and name HN    ) (resid   16   and name HN    )   4.76  2.86  0.24
assign (resid   13   and name HB    ) (resid   17   and name HN    )   2.85  0.95  0.45
assign (resid   13   and name HN    ) (resid   17   and name HN    )   4.38  2.48  0.62
assign (resid   14   and name HB+   ) (resid   17   and name HN    )   4.07  2.17  1.93
assign (resid   14   and name HN    ) (resid   17   and name HN    )   3.72  1.82  1.28
assign (resid   16   and name HB+   ) (resid   17   and name HN    )   2.87  0.97  1.43
assign (resid   16   and name HN    ) (resid   17   and name HN    )   2.72  0.82  0.58
assign (resid   17   and name HA    ) (resid   17   and name HN    )   3.01  1.11  0.29
assign (resid   17   and name HB+   ) (resid   17   and name HN    )   3.20  1.30  1.10
assign (resid   17   and name HB+   ) (resid   17   and name HN    )   2.94  1.04  1.36
assign (resid   19   and name HN    ) (resid   17   and name HN    )   3.97  2.07  1.03
assign (resid   66   and name HE1   ) (resid   17   and name HN    )   4.22  2.32  0.78
assign (resid   19  and name HA    ) (resid   19  and name HN    )   2.89  0.99  0.41
assign (resid   19  and name HB    ) (resid   19  and name HN    )   2.56  0.66  0.14
assign (resid   19  and name HG1+  ) (resid   19  and name HN    )   2.85  0.95  1.45
assign (resid   19  and name HG1+  ) (resid   19  and name HN    )   3.11  1.21  1.19
assign (resid   19  and name HG2+  ) (resid   19  and name HN    )   3.03  1.13  1.27
assign (resid   20  and name HG2+  ) (resid   19  and name HN    )   3.84  1.94  2.16
assign (resid   20  and name HN    ) (resid   19  and name HN    )   2.79  0.89  0.51
assign (resid   21  and name HN    ) (resid   19  and name HN    )   3.76  1.86  1.24
assign (resid   17  and name HA    ) (resid   20  and name HN    )   3.35  1.45  1.65
assign (resid   19  and name HA    ) (resid   20  and name HN    )   3.26  1.36  1.74 
assign (resid   19  and name HB    ) (resid   20  and name HN    )   2.59  0.69  0.11
assign (resid   19  and name HG1+  ) (resid   20  and name HN    )   3.93  2.03  2.07
assign (resid   19  and name HG1+  ) (resid   20  and name HN    )   3.60  1.70  2.40
assign (resid   19  and name HG2+  ) (resid   20  and name HN    )   2.95  1.05  1.35
assign (resid   19  and name HN    ) (resid   20  and name HN    )   2.58  0.68  0.12
assign (resid   20  and name HA    ) (resid   20  and name HN    )   2.72  0.82  0.58
assign (resid   20  and name HB    ) (resid   20  and name HN    )   2.51  0.61  0.19
assign (resid   20  and name HG2+  ) (resid   20  and name HN    )   3.06  1.16  1.24
assign (resid   21  and name HA    ) (resid   20  and name HN    )   4.28  2.38  0.72
assign (resid   21  and name HB    ) (resid   20  and name HN    )   3.68  1.78  1.32
assign (resid   21  and name HG*   ) (resid   20  and name HN    )   3.68  1.78  3.72
assign (resid   21  and name HG*   ) (resid   20  and name HN    )   4.58  2.68  2.82
assign (resid   21  and name HN    ) (resid   20  and name HN    )   2.71  0.81  0.59
assign (resid   36  and name HG*   ) (resid   20  and name HN    )   3.94  2.04  3.46
assign (resid   25   and name HD2+  ) (resid   21   and name HG*   )   2.21  0.31  3.89
assign (resid    9  and name HG*   ) (resid   21  and name HN    )   3.52  1.62  3.88
assign (resid   19  and name HA    ) (resid   21  and name HN    )   3.97  2.07  1.03
assign (resid   19  and name HN    ) (resid   21  and name HN    )   4.01  2.11  0.99
assign (resid   20  and name HA    ) (resid   21  and name HN    )   3.58  1.68  1.42
assign (resid   20  and name HB    ) (resid   21  and name HN    )   2.82  0.92  0.48
assign (resid   20  and name HG2+  ) (resid   21  and name HN    )   3.25  1.35  2.75 
assign (resid   20  and name HN    ) (resid   21  and name HN    )   2.95  1.05  0.35
assign (resid   21  and name HA    ) (resid   21  and name HN    )   2.91  1.01  0.39
assign (resid   21  and name HB    ) (resid   21  and name HN    )   2.55  0.65  0.15
assign (resid   21  and name HG*   ) (resid   21  and name HN    )   2.63  0.73  3.07 
assign (resid   21  and name HG*   ) (resid   21  and name HN    )   3.18  1.28  2.52
assign (resid   22  and name HB+   ) (resid   21  and name HN    )   3.74  1.84  2.26
assign (resid   43  and name HB+   ) (resid   21  and name HN    )   4.27  2.37  1.73
assign (resid   19  and name HN    ) (resid   22  and name HN    )   4.27  2.37  0.73
assign (resid   20  and name HA    ) (resid   22  and name HN    )   3.86  1.96  1.14
assign (resid   20  and name HB    ) (resid   22  and name HN    )   4.00  2.10  1.00
assign (resid   20  and name HN    ) (resid   22  and name HN    )   3.58  1.68  1.42
assign (resid   21  and name HA    ) (resid   22  and name HN    )   3.51  1.61  1.49
assign (resid   21  and name HB    ) (resid   22  and name HN    )   2.47  0.57  0.23
assign (resid   21  and name HG*   ) (resid   22  and name HN    )   3.18  1.28  2.52
assign (resid   21  and name HG*   ) (resid   22  and name HN    )   3.49  1.59  3.91
assign (resid   22  and name HA    ) (resid   22  and name HN    )   2.60  0.70  0.70 
assign (resid   22  and name HB+   ) (resid   22  and name HN    )   2.54  0.64  1.16
assign (resid   23  and name HG+   ) (resid   22  and name HN    )   3.62  1.72  2.38
assign (resid   24  and name HN    ) (resid   22  and name HN    )   3.58  1.68  1.42
assign (resid   36  and name HG*   ) (resid   22  and name HN    )   2.87  0.97  2.83
assign (resid   19  and name HG2+  ) (resid   23  and name HN    )   3.97  2.07  2.03
assign (resid   21  and name HA    ) (resid   23  and name HN    )   4.23  2.33  0.77
assign (resid   21  and name HG*   ) (resid   23  and name HN    )   4.59  2.69  2.81
assign (resid   22  and name HA    ) (resid   23  and name HN    )   3.24  1.34  1.76 
assign (resid   22  and name HB+   ) (resid   23  and name HN    )   2.86  0.96  1.44
assign (resid   23  and name HA    ) (resid   23  and name HN    )   2.76  0.86  0.54
assign (resid   23  and name HB+   ) (resid   23  and name HN    )   2.39  0.49  1.31
assign (resid   23  and name HB+   ) (resid   23  and name HN    )   2.89  0.99  1.41
assign (resid   23  and name HG+   ) (resid   23  and name HN    )   3.22  1.32  2.78 
assign (resid   24  and name HN    ) (resid   23  and name HN    )   2.71  0.81  0.59

assign (resid   21  and name HA    ) (resid   24  and name HN    )   3.23  1.33  0.07
assign (resid   22  and name HA    ) (resid   24  and name HN    )   3.83  1.93  1.17
assign (resid   23  and name HA    ) (resid   24  and name HN    )   3.10  1.20  0.20
assign (resid   23  and name HB+   ) (resid   24  and name HN    )   2.58  0.68  1.72 
assign (resid   23  and name HD+   ) (resid   24  and name HN    )   3.63  1.73  2.37
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    )   2.64  0.74  0.06
assign (resid   24  and name HB+   ) (resid   24  and name HN    )   2.30  0.40  1.40
assign (resid   25  and name HD1+  ) (resid   24  and name HN    )   4.05  2.15  1.95
assign (resid   25  and name HG    ) (resid   24  and name HN    )   3.38  1.48  1.62
assign (resid   27  and name HE+   ) (resid   24  and name HN    )   4.84  2.94  1.16

assign (resid   21   and name HG*   ) (resid   25   and name HD2+  )   3.28  1.38  4.42
assign (resid   57   and name HD1+  ) (resid   25   and name HD2+  )   3.36  1.46  3.64
assign (resid   57   and name HD2+  ) (resid   25   and name HD2+  )   3.01  1.11  2.29
assign (resid   21  and name HA    ) (resid   25  and name HN    )   3.98  2.08  1.02
assign (resid   21  and name HG*   ) (resid   25  and name HN    )   3.71  1.81  3.69
assign (resid   22  and name HA    ) (resid   25  and name HN    )   3.50  1.60  1.50
assign (resid   24  and name HA    ) (resid   25  and name HN    )   3.28  1.38  1.72 
assign (resid   24  and name HB+   ) (resid   25  and name HN    )   2.69  0.79  1.61 
assign (resid   25  and name HA    ) (resid   25  and name HN    )   2.79  0.89  0.51
assign (resid   25  and name HB+   ) (resid   25  and name HN    )   2.57  0.67  1.13
assign (resid   25  and name HB+   ) (resid   25  and name HN    )   2.78  0.88  1.52
assign (resid   25  and name HD1+  ) (resid   25  and name HN    )   2.88  0.98  1.42
assign (resid   25  and name HD2+  ) (resid   25  and name HN    )   3.10  1.20  1.20
assign (resid   25  and name HG    ) (resid   25  and name HN    )   2.70  0.80  0.60
assign (resid   26  and name HN    ) (resid   25  and name HN    )   2.82  0.92  0.48
assign (resid   27  and name HN    ) (resid   25  and name HN    )   4.12  2.22  0.88
assign (resid   43  and name HB+   ) (resid   25  and name HN    )   3.51  1.61  2.49

assign (resid   22  and name HA    ) (resid   26  and name HN    )   3.59  1.69  1.41
assign (resid   24  and name HB+   ) (resid   26  and name HN    )   3.45  1.55  2.55
assign (resid   25  and name HB+   ) (resid   26  and name HN    )   2.86  0.96  1.44
assign (resid   25  and name HB+   ) (resid   26  and name HN    )   3.10  1.20  1.20
assign (resid   25  and name HD1+  ) (resid   26  and name HN    )   2.86  0.96  1.44
assign (resid   25  and name HD2+  ) (resid   26  and name HN    )   3.77  1.87  2.23
assign (resid   25  and name HG    ) (resid   26  and name HN    )   3.48  1.58  1.52
assign (resid   25  and name HN    ) (resid   26  and name HN    )   2.61  0.71  0.09
assign (resid   27  and name HA    ) (resid   26  and name HN    )   4.22  2.32  0.78
assign (resid   27  and name HN    ) (resid   26  and name HN    )   2.75  0.85  0.55
assign (resid   28  and name HB    ) (resid   26  and name HN    )   4.38  2.48  0.62
assign (resid   28  and name HG*   ) (resid   26  and name HN    )   3.75  1.85  3.65
assign (resid   28  and name HN    ) (resid   26  and name HN    )   3.95  2.05  1.05

assign (resid   24  and name HB+   ) (resid   27  and name HN    )   4.04  2.14  1.96
assign (resid   25  and name HN    ) (resid   27  and name HN    )   3.77  1.87  1.23
assign (resid   26  and name HN    ) (resid   27  and name HN    )   2.85  0.95  0.45
assign (resid   27  and name HA    ) (resid   27  and name HN    )   2.68  0.78  0.62 
assign (resid   27  and name HB+   ) (resid   27  and name HN    )   2.81  0.91  1.49
assign (resid   27  and name HD+   ) (resid   27  and name HN    )   2.53  0.63  1.17
assign (resid   27  and name HE+   ) (resid   27  and name HN    )   4.14  2.24  1.86
assign (resid   27  and name HG+   ) (resid   27  and name HN    )   2.78  0.88  1.52
assign (resid   28  and name HA    ) (resid   27  and name HN    )   3.94  2.04  1.06
assign (resid   28  and name HG*   ) (resid   27  and name HN    )   3.41  1.51  3.99
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    )   2.62  0.72  0.08
assign (resid   60  and name HB+   ) (resid   27  and name HN    )   3.91  2.01  2.09

assign (resid   25  and name HB+   ) (resid   28  and name HN    )   4.61  2.71  1.39
assign (resid   26  and name HN    ) (resid   28  and name HN    )   4.06  2.16  0.94
assign (resid   27  and name HA    ) (resid   28  and name HN    )   3.19  1.29  0.11
assign (resid   27  and name HB+   ) (resid   28  and name HN    )   3.66  1.76  2.34
assign (resid   27  and name HD+   ) (resid   28  and name HN    )   3.56  1.66  2.44
assign (resid   27  and name HG+   ) (resid   28  and name HN    )   3.90  2.00  2.10
assign (resid   27  and name HN    ) (resid   28  and name HN    )   2.65  0.75  0.05
assign (resid   28  and name HA    ) (resid   28  and name HN    )   2.88  0.98  0.42
assign (resid   28  and name HB    ) (resid   28  and name HN    )   2.43  0.53  0.27
assign (resid   28  and name HG*   ) (resid   28  and name HN    )   2.53  0.63  2.57
assign (resid   28  and name HG*   ) (resid   28  and name HN    )   2.76  0.86  2.94
assign (resid   29  and name HN    ) (resid   28  and name HN    )   3.81  1.91  1.19
assign (resid   31  and name HN    ) (resid   28  and name HN    )   4.24  2.34  0.76
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    )   3.89  1.99  2.11

assign (resid   27  and name HA    ) (resid   29  and name HN    )   4.47  2.57  0.53
assign (resid   27  and name HD+   ) (resid   29  and name HN    )   4.09  2.19  1.91
assign (resid   28  and name HA    ) (resid   29  and name HN    )   2.06  0.16  2.94 
assign (resid   28  and name HG*   ) (resid   29  and name HN    )   2.59  0.69  2.51
assign (resid   28  and name HG*   ) (resid   29  and name HN    )   3.01  1.11  2.69
assign (resid   28  and name HN    ) (resid   29  and name HN    )   3.58  1.68  1.42
assign (resid   29  and name HA    ) (resid   29  and name HN    )   2.71  0.81  0.59
assign (resid   29  and name HB+   ) (resid   29  and name HN    )   2.28  0.38  1.42
assign (resid   29  and name HG+   ) (resid   29  and name HN    )   3.22  1.32  1.08
assign (resid   29  and name HG+   ) (resid   29  and name HN    )   2.99  1.09  1.31
assign (resid   31  and name HN    ) (resid   29  and name HN    )   4.68  2.78  0.32
assign (resid   52  and name HB+   ) (resid   29  and name HN    )   4.05  2.15  1.95
assign (resid   57  and name HD2+  ) (resid   29  and name HN    )   4.76  2.86  1.24

assign (resid   29  and name HB+   ) (resid   30  and name HN    )   3.24  1.34  1.06
assign (resid   29  and name HG+   ) (resid   30  and name HN    )   3.31  1.41  2.69
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    )   2.66  0.76  0.64 
assign (resid   30  and name HA2   ) (resid   30  and name HN    )   2.91  1.01  0.39
assign (resid   31  and name HG*   ) (resid   30  and name HN    )   3.62  1.72  3.78
assign (resid   31  and name HN    ) (resid   30  and name HN    )   2.73  0.83  0.57
assign (resid   52  and name HB+   ) (resid   30  and name HN    )   4.23  2.33  1.77

assign (resid   47  and name HA    ) (resid   31  and name HA    )   2.24  0.34  0.46
assign (resid   28  and name HN    ) (resid   31  and name HN    )   4.36  2.46  0.64
assign (resid   29  and name HB+   ) (resid   31  and name HN    )   4.23  2.33  1.77
assign (resid   30  and name HA1   ) (resid   31  and name HN    )   3.25  1.35  1.75 
assign (resid   30  and name HA2   ) (resid   31  and name HN    )   3.32  1.42  1.68
assign (resid   30  and name HN    ) (resid   31  and name HN    )   2.79  0.89  0.51
assign (resid   31  and name HA    ) (resid   31  and name HN    )   3.09  1.19  0.21
assign (resid   31  and name HB    ) (resid   31  and name HN    )   2.32  0.42  0.38
assign (resid   31  and name HG*   ) (resid   31  and name HN    )   2.43  0.53  1.27
assign (resid   32  and name HN    ) (resid   31  and name HN    )   3.99  2.09  1.01
assign (resid   47  and name HA    ) (resid   31  and name HN    )   3.98  2.08  1.02
assign (resid   47  and name HB+   ) (resid   31  and name HN    )   4.48  2.58  1.52 
assign (resid   47  and name HB+   ) (resid   31  and name HN    )   4.40  2.50  1.60 
assign (resid   51  and name HB+   ) (resid   31  and name HN    )   4.55  2.65  1.45
assign (resid   52  and name HB+   ) (resid   31  and name HN    )   4.02  2.12  1.98
assign (resid   57  and name HD2+  ) (resid   31  and name HN    )   4.35  2.45  1.65

assign (resid   26  and name HA    ) (resid   32  and name HN    )   3.51  1.61  1.49
assign (resid   31  and name HA    ) (resid   32  and name HN    )   2.32  0.42  0.38
assign (resid   31  and name HB    ) (resid   32  and name HN    )   3.68  1.78  1.32
assign (resid   31  and name HG*   ) (resid   32  and name HN    )   2.52  0.62  2.58
assign (resid   31  and name HN    ) (resid   32  and name HN    )   3.85  1.95  1.15
assign (resid   32  and name HA    ) (resid   32  and name HN    )   2.98  1.08  0.32
assign (resid   32  and name HB+   ) (resid   32  and name HN    )   3.20  1.30  1.10
assign (resid   32  and name HB+   ) (resid   32  and name HN    )   3.34  1.44  2.66
assign (resid   33  and name HA    ) (resid   32  and name HN    )   4.02  2.12  0.98
assign (resid   33  and name HB+   ) (resid   32  and name HN    )   3.95  2.05  2.05
assign (resid   33  and name HG+   ) (resid   32  and name HN    )   4.05  2.15  1.95
assign (resid   33  and name HN    ) (resid   32  and name HN    )   2.45  0.55  0.25
assign (resid   46  and name HA    ) (resid   32  and name HN    )   4.15  2.25  0.85
assign (resid   46  and name HG2+  ) (resid   32  and name HN    )   3.42  1.52  2.58
assign (resid   47  and name HA    ) (resid   32  and name HN    )   2.69  0.79  0.61 
assign (resid   47  and name HB+   ) (resid   32  and name HN    )   3.35  1.45  2.65
assign (resid   47  and name HB+   ) (resid   32  and name HN    )   3.44  1.54  2.56
assign (resid   47  and name HD+   ) (resid   32  and name HN    )   4.59  2.69  2.41
assign (resid   47  and name HN    ) (resid   32  and name HN    )   4.36  2.46  0.64
assign (resid   48  and name HN    ) (resid   32  and name HN    )   3.74  1.84  1.26
assign (resid   57  and name HD2+  ) (resid   32  and name HN    )   4.67  2.77  1.33

assign (resid   31  and name HA    ) (resid   33  and name HN    )   2.98  1.08  0.32
assign (resid   31  and name HB    ) (resid   33  and name HN    )   4.27  2.37  0.73
assign (resid   31  and name HG*   ) (resid   33  and name HN    )   2.51  0.61  2.59
assign (resid   32  and name HA    ) (resid   33  and name HN    )   3.04  1.14  0.26
assign (resid   32  and name HB+   ) (resid   33  and name HN    )   3.37  1.47  2.63
assign (resid   32  and name HB+   ) (resid   33  and name HN    )   3.34  1.44  2.66
assign (resid   32  and name HN    ) (resid   33  and name HN    )   2.28  0.38  0.42
assign (resid   33  and name HA    ) (resid   33  and name HN    )   2.82  0.92  0.48
assign (resid   33  and name HB+   ) (resid   33  and name HN    )   2.66  0.76  1.04
assign (resid   33  and name HG+   ) (resid   33  and name HN    )   3.50  1.60  2.50
assign (resid   34  and name HN    ) (resid   33  and name HN    )   3.56  1.66  1.44
assign (resid   45  and name HA    ) (resid   33  and name HN    )   3.72  1.82  1.28
assign (resid   45  and name HG*   ) (resid   33  and name HN    )   3.84  1.94  3.56
assign (resid   46  and name HA    ) (resid   33  and name HN    )   3.94  2.04  1.06
assign (resid   46  and name HB    ) (resid   33  and name HN    )   2.77  0.87  0.53
assign (resid   46  and name HG2+  ) (resid   33  and name HN    )   3.09  1.19  1.21
assign (resid   47  and name HA    ) (resid   33  and name HN    )   3.54  1.64  1.46
assign (resid   47  and name HB+   ) (resid   33  and name HN    )   4.49  2.59  1.51
assign (resid   47  and name HB+   ) (resid   33  and name HN    )   4.59  2.69  1.41

assign (resid   22  and name HE+   ) (resid   34  and name HN    )   3.91  2.01  2.09
assign (resid   33  and name HA    ) (resid   34  and name HN    )   2.13  0.23  0.57
assign (resid   33  and name HB+   ) (resid   34  and name HN    )   2.96  1.06  1.34
assign (resid   33  and name HG+   ) (resid   34  and name HN    )   2.83  0.93  1.47
assign (resid   33  and name HN    ) (resid   34  and name HN    )   3.71  1.81  1.29
assign (resid   34  and name HA    ) (resid   34  and name HN    )   2.68  0.78  0.62 
assign (resid   34  and name HB    ) (resid   34  and name HN    )   2.69  0.79  0.61 
assign (resid   34  and name HG*   ) (resid   34  and name HN    )   2.73  0.83  2.97
assign (resid   45  and name HA    ) (resid   34  and name HN    )   4.00  2.10  1.00
assign (resid   46  and name HB    ) (resid   34  and name HN    )   4.28  2.38  0.72

assign (resid   22  and name HD+   ) (resid   35  and name HN    )   4.48  2.58  1.52
assign (resid   25  and name HD2+  ) (resid   35  and name HN    )   4.39  2.49  1.61
assign (resid   33  and name HG+   ) (resid   35  and name HN    )   4.12  2.22  1.88
assign (resid   34  and name HA    ) (resid   35  and name HN    )   2.22  0.32  0.48
assign (resid   34  and name HB    ) (resid   35  and name HN    )   3.54  1.64  1.46
assign (resid   34  and name HG*   ) (resid   35  and name HN    )   2.54  0.64  2.56
assign (resid   34  and name HN    ) (resid   35  and name HN    )   3.86  1.96  1.14
assign (resid   35  and name HA    ) (resid   35  and name HN    )   2.95  1.05  0.35
assign (resid   35  and name HB+   ) (resid   35  and name HN    )   3.07  1.17  1.23
assign (resid   35  and name HB+   ) (resid   35  and name HN    )   2.79  0.89  1.51
assign (resid   44  and name HN    ) (resid   35  and name HN    )   2.82  0.92  0.48
assign (resid   45  and name HA    ) (resid   35  and name HN    )   3.24  1.34  1.76 
assign (resid   44  and name HG*   ) (resid   35  and name HN    )   3.40  1.50  4.00 

assign (resid   35  and name HA    ) (resid   36  and name HN    )   2.82  0.92  0.48
assign (resid   35  and name HB+   ) (resid   36  and name HN    )   3.68  1.78  2.32
assign (resid   35  and name HB+   ) (resid   36  and name HN    )   4.06  2.16  1.94
assign (resid   35  and name HN    ) (resid   36  and name HN    )   4.05  2.15  0.95
assign (resid   36  and name HA    ) (resid   36  and name HN    )   2.31  0.41  0.99 

assign (resid   36  and name HB    ) (resid   37  and name HN    )   3.26  1.36  1.74 
assign (resid   36  and name HG*   ) (resid   37  and name HN    )   2.66  0.76  3.04 
assign (resid   37  and name HA1   ) (resid   37  and name HN    )   2.69  0.79  0.61 
assign (resid   37  and name HA2   ) (resid   37  and name HN    )   2.27  0.37  1.03 
assign (resid   42  and name HB+   ) (resid   37  and name HN    )   4.02  2.12  1.98
assign (resid   42  and name HG+   ) (resid   37  and name HN    )   4.35  2.45  1.65
assign (resid   42  and name HG+   ) (resid   37  and name HN    )   4.23  2.33  1.77
assign (resid   42  and name HN    ) (resid   37  and name HN    )   3.46  1.56  1.54
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    )   3.48  1.58  2.52

assign (resid   17   and name HB+   ) (resid   38   and name HD+   )   3.02  1.12  3.28
assign (resid   38   and name HA    ) (resid   38   and name HD+   )   2.40  0.50  2.30
assign (resid   38   and name HB+   ) (resid   38   and name HD+   )   2.54  0.64  3.16
assign (resid   38   and name HB+   ) (resid   38   and name HD+   )   2.48  0.58  3.22
assign (resid   14   and name HA    ) (resid   38   and name HE+   )   3.55  1.65  3.45 
assign (resid   12   and name HA    ) (resid   38   and name HE+   )   3.61  1.71  3.39
assign (resid   12   and name HB+   ) (resid   38   and name HE+   )   3.09  1.19  3.21
assign (resid   17   and name HB+   ) (resid   38   and name HE+   )   3.42  1.52  4.58
assign (resid   17   and name HB+   ) (resid   38   and name HE+   )   3.63  1.73  4.37
assign (resid   38   and name HA    ) (resid   38   and name HE+   )   3.02  1.12  2.28
assign (resid   38   and name HB+   ) (resid   38   and name HE+   )   3.31  1.41  4.69
assign (resid   38   and name HB+   ) (resid   38   and name HE+   )   3.42  1.52  4.58
assign (resid   14   and name HA    ) (resid   38   and name HZ    )   2.94  1.04  0.36 
assign (resid    9   and name HG*   ) (resid   38   and name HE+   )   3.91  2.01  3.49 

assign (resid   36  and name HB    ) (resid   38  and name HN    )   4.24  2.34  0.76
assign (resid   36  and name HG*   ) (resid   38  and name HN    )   4.44  2.54  2.96
assign (resid   37  and name HA1   ) (resid   38  and name HN    )   3.44  1.54  1.56
assign (resid   38  and name HA    ) (resid   38  and name HN    )   3.84  1.94  1.16
assign (resid   38  and name HB+   ) (resid   38  and name HN    )   3.44  1.54  2.56
assign (resid   38  and name HB+   ) (resid   38  and name HN    )   3.31  1.41  2.69
assign (resid   38  and name HD+   ) (resid   38  and name HN    )   4.39  2.49  2.61

assign (resid   38  and name HA    ) (resid   39  and name HN    )   4.67  2.77  0.33
assign (resid   38  and name HB+   ) (resid   39  and name HN    )   4.20  2.30  1.80
assign (resid   38  and name HB+   ) (resid   39  and name HN    )   3.77  1.87  2.23
assign (resid   38  and name HD+   ) (resid   39  and name HN    )   4.49  2.59  2.51
assign (resid   38  and name HN    ) (resid   39  and name HN    )   5.06  3.16 -0.06
assign (resid   39  and name HA    ) (resid   39  and name HN    )   3.57  1.67  1.43
assign (resid   39  and name HB+   ) (resid   39  and name HN    )   3.44  1.54  2.56
assign (resid   39  and name HB+   ) (resid   39  and name HN    )   3.76  1.86  2.24
assign (resid   39  and name HG+   ) (resid   39  and name HN    )   4.12  2.22  1.88
assign (resid   40  and name HN    ) (resid   39  and name HN    )   3.88  1.98  1.12

assign (resid   39  and name HA    ) (resid   40  and name HN    )   3.53  1.63  1.47
assign (resid   39  and name HB+   ) (resid   40  and name HN    )   3.24  1.34  1.06
assign (resid   39  and name HB+   ) (resid   40  and name HN    )   3.31  1.41  2.69
assign (resid   39  and name HN    ) (resid   40  and name HN    )   4.28  2.38  0.72
assign (resid   40  and name HA    ) (resid   40  and name HN    )   3.08  1.18  0.22
assign (resid   40  and name HB+   ) (resid   40  and name HN    )   3.04  1.14  1.26
assign (resid   40  and name HD+   ) (resid   40  and name HN    )   3.64  1.74  2.36
assign (resid   41  and name HA    ) (resid   40  and name HN    )   3.93  2.03  1.07

assign (resid   39  and name HA    ) (resid   41  and name HN    )   3.73  1.83  1.27
assign (resid   40  and name HA    ) (resid   41  and name HN    )   3.28  1.38  1.72 
assign (resid   41  and name HA    ) (resid   41  and name HN    )   2.55  0.65  0.15
assign (resid   41  and name HB+   ) (resid   41  and name HN    )   3.13  1.23  1.17
assign (resid   41  and name HD+   ) (resid   41  and name HN    )   3.71  1.81  2.29
assign (resid   41  and name HD+   ) (resid   41  and name HN    )   3.85  1.95  2.15
assign (resid   41  and name HG+   ) (resid   41  and name HN    )   3.25  1.35  1.05

assign (resid    8  and name HA    ) (resid   42  and name HA    )   2.67  0.77  0.03
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    )   4.23  2.33  3.17
assign (resid   37  and name HA2   ) (resid   42  and name HN    )   4.10  2.20  0.90
assign (resid   37  and name HN    ) (resid   42  and name HN    )   3.44  1.54  1.56
assign (resid   40  and name HA    ) (resid   42  and name HN    )   4.12  2.22  0.88
assign (resid   40  and name HB+   ) (resid   42  and name HN    )   3.68  1.78  2.32
assign (resid   41  and name HA    ) (resid   42  and name HN    )   2.79  0.89  0.51
assign (resid   41  and name HB+   ) (resid   42  and name HN    )   3.08  1.18  1.22
assign (resid   41  and name HD+   ) (resid   42  and name HN    )   4.39  2.49  1.61
assign (resid   42  and name HA    ) (resid   42  and name HN    )   3.11  1.21  0.19
assign (resid   42  and name HB+   ) (resid   42  and name HN    )   2.86  0.96  1.44
assign (resid   42  and name HG+   ) (resid   42  and name HN    )   3.57  1.67  2.43
assign (resid   42  and name HG+   ) (resid   42  and name HN    )   3.44  1.54  2.56
assign (resid   43  and name HA    ) (resid   42  and name HN    )   4.63  2.73  0.37
assign (resid   43  and name HB+   ) (resid   42  and name HN    )   4.02  2.12  1.98
assign (resid   43  and name HN    ) (resid   42  and name HN    )   3.88  1.98  1.12

assign (resid    6  and name HB    ) (resid   43  and name HN    )   4.57  2.67  0.43
assign (resid    7  and name HG    ) (resid   43  and name HN    )   3.78  1.88  1.22
assign (resid    7  and name HN    ) (resid   43  and name HN    )   2.99  1.09  0.31
assign (resid    8  and name HA    ) (resid   43  and name HN    )   3.47  1.57  1.53
assign (resid    8  and name HB+   ) (resid   43  and name HN    )   4.22  2.32  2.78
assign (resid    9  and name HG*   ) (resid   43  and name HN    )   3.55  1.65  3.85
assign (resid    9  and name HN    ) (resid   43  and name HN    )   3.74  1.84  1.26
assign (resid   21  and name HG*   ) (resid   43  and name HN    )   3.01  1.11  2.69
assign (resid   42  and name HA    ) (resid   43  and name HN    )   2.36  0.46  0.34
assign (resid   42  and name HG+   ) (resid   43  and name HN    )   4.08  2.18  1.92
assign (resid   42  and name HN    ) (resid   43  and name HN    )   4.11  2.21  0.89
assign (resid   43  and name HA    ) (resid   43  and name HN    )   3.11  1.21  0.19
assign (resid   43  and name HB+   ) (resid   43  and name HN    )   2.57  0.67  1.13

assign (resid    6  and name HA    ) (resid   44  and name HA    )   2.20  0.30  0.50
assign (resid   35  and name HB+   ) (resid   44  and name HN    )   3.60  1.70  2.40
assign (resid   35  and name HB+   ) (resid   44  and name HN    )   3.55  1.65  2.45
assign (resid   35  and name HN    ) (resid   44  and name HN    )   3.05  1.15  0.25
assign (resid   43  and name HA    ) (resid   44  and name HN    )   2.27  0.37  0.43
assign (resid   44  and name HB    ) (resid   44  and name HN    )   2.52  0.62  0.18
assign (resid   44  and name HG*   ) (resid   44  and name HN    )   2.44  0.54  2.56
assign (resid   44  and name HG*   ) (resid   44  and name HN    )   2.72  0.82  2.98
assign (resid   45  and name HN    ) (resid   44  and name HN    )   3.51  1.61  1.49

assign (resid    5  and name HN    ) (resid   45  and name HN    )   2.99  1.09  0.31
assign (resid    6  and name HA    ) (resid   45  and name HN    )   3.06  1.16  0.24
assign (resid    7  and name HB+   ) (resid   45  and name HN    )   4.32  2.42  2.68
assign (resid    7  and name HN    ) (resid   45  and name HN    )   3.71  1.81  1.29
assign (resid   25  and name HD2+  ) (resid   45  and name HN    )   5.00  3.10  1.00
assign (resid   44  and name HA    ) (resid   45  and name HN    )   2.28  0.38  0.42
assign (resid   44  and name HG*   ) (resid   45  and name HN    )   2.68  0.78  3.02 
assign (resid   45  and name HB    ) (resid   45  and name HN    )   2.67  0.77  0.63 
assign (resid   45  and name HG*   ) (resid   45  and name HN    )   2.77  0.87  2.93
assign (resid   45  and name HG*   ) (resid   45  and name HN    )   2.76  0.86  2.94
assign (resid   57  and name HD1+  ) (resid   45  and name HN    )   4.33  2.43  1.67

assign (resid    4  and name HA    ) (resid   46  and name HA    )   2.13  0.23  0.57
assign (resid   33  and name HB+   ) (resid   46  and name HN    )   3.54  1.64  2.46
assign (resid   33  and name HN    ) (resid   46  and name HN    )   3.44  1.54  1.56
assign (resid   45  and name HA    ) (resid   46  and name HN    )   2.54  0.64  0.16
assign (resid   46  and name HA    ) (resid   46  and name HN    )   3.43  1.53  1.57
assign (resid   46  and name HB    ) (resid   46  and name HN    )   2.91  1.01  0.39
assign (resid   57  and name HD2+  ) (resid   46  and name HN    )   4.35  2.45  1.65

assign (resid   47   and name HA    ) (resid   47   and name HD+   )   2.76  0.86  2.54
assign (resid   47   and name HB+   ) (resid   47   and name HD+   )   2.39  0.49  3.31
assign (resid   46   and name HA    ) (resid   47   and name HD1   )   2.82  0.92  0.48
assign (resid   57   and name HD1+  ) (resid   47   and name HD1   )   2.64  0.74  1.06
assign (resid   57   and name HD2+  ) (resid   47   and name HD1   )   3.10  1.20  1.20
assign (resid   49   and name HA    ) (resid   47   and name HD2   )   2.45  0.55  0.25
assign (resid   49   and name HB+   ) (resid   47   and name HD2   )   3.27  1.37  1.03
assign (resid   53   and name HA    ) (resid   47   and name HD2   )   3.42  1.52  1.58
assign (resid    4   and name HA    ) (resid   47   and name HE1   )   3.32  1.42  1.68
assign (resid   54   and name HA    ) (resid   47   and name HE1   )   3.58  1.68  1.42
assign (resid   57   and name HD1+  ) (resid   47   and name HE1   )   2.79  0.89  1.51
assign (resid   57   and name HD2+  ) (resid   47   and name HE1   )   3.70  1.80  2.30
assign (resid   49   and name HA    ) (resid   47   and name HE2   )   2.43  0.53  0.27
assign (resid   49   and name HB+   ) (resid   47   and name HE2   )   2.77  0.87  1.53
assign (resid   53   and name HA    ) (resid   47   and name HE2   )   2.76  0.86  0.54
assign (resid   49   and name HA    ) (resid   47   and name HZ    )   3.36  1.46  1.64
assign (resid   49   and name HB+   ) (resid   47   and name HZ    )   3.58  1.68  2.42
assign (resid   53   and name HA    ) (resid   47   and name HZ    )   3.36  1.46  1.64
assign (resid   54   and name HA    ) (resid   47   and name HZ    )   3.48  1.58  1.52
assign (resid   57   and name HD1+  ) (resid   47   and name HZ    )   3.18  1.28  1.12

assign (resid   31  and name HA    ) (resid   47  and name HA    )   2.09  0.19  0.61
assign (resid    2  and name HA    ) (resid   47  and name HN    )   4.02  2.12  0.98
assign (resid    2  and name HB    ) (resid   47  and name HN    )   3.71  1.81  1.29
assign (resid    3  and name HB+   ) (resid   47  and name HN    )   3.52  1.62  2.48
assign (resid    3  and name HG+   ) (resid   47  and name HN    )   4.79  2.89  2.21
assign (resid    3  and name HN    ) (resid   47  and name HN    )   3.13  1.23  0.17
assign (resid   31  and name HG*   ) (resid   47  and name HN    )   4.17  2.27  3.23
assign (resid   46  and name HA    ) (resid   47  and name HN    )   2.45  0.55  0.25
assign (resid   46  and name HG2+  ) (resid   47  and name HN    )   2.86  0.96  1.44
assign (resid   46  and name HN    ) (resid   47  and name HN    )   4.02  2.12  0.98
assign (resid   47  and name HA    ) (resid   47  and name HN    )   3.40  1.50  1.60
assign (resid   47  and name HB+   ) (resid   47  and name HN    )   3.66  1.76  2.34
assign (resid   47  and name HB+   ) (resid   47  and name HN    )   3.88  1.98  2.12
assign (resid   47  and name HD1   ) (resid   47  and name HN    )   2.93  1.03  0.37
assign (resid   47  and name HE1   ) (resid   47  and name HN    )   4.08  2.18  0.92
assign (resid   48  and name HN    ) (resid   47  and name HN    )   4.45  2.55  0.55

assign (resid    2  and name HA    ) (resid   48  and name HA    )   2.63  0.73  0.07
assign (resid   30  and name HA1   ) (resid   48  and name HN    )   3.51  1.61  1.49
assign (resid   30  and name HA2   ) (resid   48  and name HN    )   3.48  1.58  1.52
assign (resid   31  and name HA    ) (resid   48  and name HN    )   3.21  1.31  0.09
assign (resid   31  and name HG*   ) (resid   48  and name HN    )   3.40  1.50  4.00
assign (resid   32  and name HN    ) (resid   48  and name HN    )   3.63  1.73  1.37
assign (resid   47  and name HA    ) (resid   48  and name HN    )   2.44  0.54  0.26
assign (resid   47  and name HD2   ) (resid   48  and name HN    )   3.31  1.41  1.69
assign (resid   47  and name HN    ) (resid   48  and name HN    )   4.15  2.25  0.85
assign (resid   48  and name HA    ) (resid   48  and name HN    )   2.83  0.93  0.47
assign (resid   48  and name HB+   ) (resid   48  and name HN    )   2.58  0.68  1.12
assign (resid   48  and name HB+   ) (resid   48  and name HN    )   2.44  0.54  1.26
assign (resid   49  and name HN    ) (resid   48  and name HN    )   4.06  2.16  0.94
assign (resid   52  and name HB+   ) (resid   48  and name HN    )   3.36  1.46  2.64

assign (resid    1  and name HA    ) (resid   49  and name HN    )   3.96  2.06  1.04
assign (resid    1  and name HB+   ) (resid   49  and name HN    )   3.27  1.37  2.73 
assign (resid    2  and name HA    ) (resid   49  and name HN    )   3.24  1.34  1.76 
assign (resid    3  and name HB+   ) (resid   49  and name HN    )   3.65  1.75  3.35
assign (resid    3  and name HG+   ) (resid   49  and name HN    )   3.56  1.66  3.44
assign (resid    3  and name HN    ) (resid   49  and name HN    )   4.11  2.21  0.89
assign (resid   47  and name HD2   ) (resid   49  and name HN    )   3.69  1.79  1.31
assign (resid   47  and name HE2   ) (resid   49  and name HN    )   3.87  1.97  1.13
assign (resid   48  and name HA    ) (resid   49  and name HN    )   2.24  0.34  0.46
assign (resid   48  and name HB+   ) (resid   49  and name HN    )   3.75  1.85  2.25
assign (resid   48  and name HB+   ) (resid   49  and name HN    )   3.43  1.53  2.57
assign (resid   48  and name HN    ) (resid   49  and name HN    )   3.91  2.01  1.09
assign (resid   49  and name HA    ) (resid   49  and name HN    )   2.87  0.97  0.43
assign (resid   49  and name HB+   ) (resid   49  and name HN    )   3.01  1.11  1.29
assign (resid   49  and name HB+   ) (resid   49  and name HN    )   2.81  0.91  1.49
assign (resid   51  and name HN    ) (resid   49  and name HN    )   3.67  1.77  1.33

assign (resid   47  and name HD2   ) (resid   50  and name HN    )   4.52  2.62  0.48
assign (resid   47  and name HE2   ) (resid   50  and name HN    )   4.67  2.77  0.33
assign (resid   48  and name HB+   ) (resid   50  and name HN    )   4.05  2.15  1.95
assign (resid   48  and name HB+   ) (resid   50  and name HN    )   4.11  2.21  1.89
assign (resid   49  and name HA    ) (resid   50  and name HN    )   3.30  1.40  1.70
assign (resid   49  and name HB+   ) (resid   50  and name HN    )   4.16  2.26  1.84
assign (resid   49  and name HB+   ) (resid   50  and name HN    )   4.19  2.29  1.81
assign (resid   50  and name HA    ) (resid   50  and name HN    )   2.91  1.01  0.39
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    )   2.52  0.62  1.18
assign (resid   51  and name HB+   ) (resid   50  and name HN    )   3.76  1.86  2.24
assign (resid   51  and name HN    ) (resid   50  and name HN    )   2.54  0.64  0.16
assign (resid   52  and name HN    ) (resid   50  and name HN    )   3.36  1.46  1.64

assign (resid   30  and name HA1   ) (resid   51  and name HN    )   4.48  2.58  0.52
assign (resid   47  and name HD2   ) (resid   51  and name HN    )   4.22  2.32  0.78
assign (resid   48  and name HB+   ) (resid   51  and name HN    )   3.74  1.84  2.26
assign (resid   48  and name HB+   ) (resid   51  and name HN    )   4.19  2.29  1.81
assign (resid   49  and name HA    ) (resid   51  and name HN    )   3.46  1.56  1.54
assign (resid   50  and name HB    ) (resid   51  and name HN    )   3.83  1.93  1.17
assign (resid   50  and name HN    ) (resid   51  and name HN    )   2.66  0.76  0.64 
assign (resid   51  and name HA    ) (resid   51  and name HN    )   2.73  0.83  0.57
assign (resid   51  and name HG+   ) (resid   51  and name HN    )   2.93  1.03  1.37
assign (resid   52  and name HA    ) (resid   51  and name HN    )   3.76  1.86  1.24
assign (resid   52  and name HN    ) (resid   51  and name HN    )   2.42  0.52  0.28

assign (resid   28  and name HG*   ) (resid   52  and name HN    )   4.22  2.32  3.18
assign (resid   30  and name HA1   ) (resid   52  and name HN    )   4.22  2.32  0.78
assign (resid   47  and name HD2   ) (resid   52  and name HN    )   3.45  1.55  1.55
assign (resid   47  and name HE2   ) (resid   52  and name HN    )   4.24  2.34  0.76
assign (resid   48  and name HB+   ) (resid   52  and name HN    )   4.02  2.12  1.98
assign (resid   48  and name HB+   ) (resid   52  and name HN    )   4.16  2.26  1.84
assign (resid   49  and name HA    ) (resid   52  and name HN    )   3.10  1.20  0.20
assign (resid   49  and name HB+   ) (resid   52  and name HN    )   4.49  2.59  1.51
assign (resid   49  and name HB+   ) (resid   52  and name HN    )   4.44  2.54  1.56
assign (resid   50  and name HN    ) (resid   52  and name HN    )   3.36  1.46  1.64
assign (resid   51  and name HA    ) (resid   52  and name HN    )   2.99  1.09  0.31
assign (resid   51  and name HB+   ) (resid   52  and name HN    )   2.89  0.99  1.41
assign (resid   51  and name HN    ) (resid   52  and name HN    )   2.40  0.50  0.30
assign (resid   52  and name HA    ) (resid   52  and name HN    )   2.91  1.01  0.39
assign (resid   52  and name HB+   ) (resid   52  and name HN    )   2.53  0.63  1.17
assign (resid   53  and name HN    ) (resid   52  and name HN    )   4.06  2.16  0.94

assign (resid   28  and name HG*   ) (resid   53  and name HN    )   4.05  2.15  3.35
assign (resid   28  and name HG*   ) (resid   53  and name HN    )   3.38  1.48  4.02
assign (resid   47  and name HD+   ) (resid   53  and name HN    )   4.06  2.16  2.94
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    )   2.40  0.50  0.30
assign (resid   52  and name HB+   ) (resid   53  and name HN    )   2.46  0.56  1.24
assign (resid   52  and name HN    ) (resid   53  and name HN    )   3.78  1.88  1.22
assign (resid   53  and name HA    ) (resid   53  and name HN    )   2.97  1.07  0.33
assign (resid   53  and name HB+   ) (resid   53  and name HN    )   3.16  1.26  1.14
assign (resid   53  and name HB+   ) (resid   53  and name HN    )   3.62  1.72  2.38
assign (resid   54  and name HG*   ) (resid   53  and name HN    )   4.08  2.18  3.32
assign (resid   54  and name HG*   ) (resid   53  and name HN    )   4.05  2.15  3.35
assign (resid   54  and name HN    ) (resid   53  and name HN    )   4.32  2.42  0.68
assign (resid   55  and name HB+   ) (resid   53  and name HN    )   4.13  2.23  1.87
assign (resid   56  and name HB+   ) (resid   53  and name HN    )   2.45  0.55  1.25
assign (resid   56  and name HE+   ) (resid   53  and name HN    )   4.02  2.12  1.98
assign (resid   56  and name HN    ) (resid   53  and name HN    )   3.33  1.43  1.67
assign (resid   57  and name HB+   ) (resid   53  and name HN    )   4.08  2.18  1.92
assign (resid   57  and name HD1+  ) (resid   53  and name HN    )   4.02  2.12  1.98
assign (resid   57  and name HD2+  ) (resid   53  and name HN    )   3.91  2.01  2.09
assign (resid   57  and name HG    ) (resid   53  and name HN    )   2.86  0.96  0.44
assign (resid   57  and name HN    ) (resid   53  and name HN    )   3.73  1.83  1.27

assign (resid   47  and name HE+   ) (resid   54  and name HN    )   4.05  2.15  1.95
assign (resid   47  and name HZ    ) (resid   54  and name HN    )   4.15  2.25  0.85
assign (resid   53  and name HB+   ) (resid   54  and name HN    )   3.11  1.21  1.19
assign (resid   53  and name HB+   ) (resid   54  and name HN    )   3.44  1.54  2.56
assign (resid   53  and name HN    ) (resid   54  and name HN    )   4.36  2.46  0.64
assign (resid   54  and name HA    ) (resid   54  and name HN    )   3.03  1.13  0.27
assign (resid   54  and name HB    ) (resid   54  and name HN    )   2.78  0.88  0.52
assign (resid   54  and name HG*   ) (resid   54  and name HN    )   2.72  0.82  2.98
assign (resid   54  and name HG*   ) (resid   54  and name HN    )   3.12  1.22  2.58
assign (resid   55  and name HN    ) (resid   54  and name HN    )   4.02  2.12  0.98
assign (resid   57  and name HD1+  ) (resid   54  and name HN    )   4.28  2.38  1.72
assign (resid   57  and name HD2+  ) (resid   54  and name HN    )   4.61  2.71  1.39
assign (resid   57  and name HG    ) (resid   54  and name HN    )   4.54  2.64  0.46
assign (resid   53  and name HB+   ) (resid   55  and name HN    )   4.35  2.45  1.65
assign (resid   54  and name HG*   ) (resid   55  and name HN    )   4.05  2.15  3.35
assign (resid   54  and name HG*   ) (resid   55  and name HN    )   3.92  2.02  3.48
assign (resid   54  and name HN    ) (resid   55  and name HN    )   4.46  2.56  0.54
assign (resid   55  and name HB+   ) (resid   55  and name HN    )   3.17  1.27  1.13
assign (resid   56  and name HN    ) (resid   55  and name HN    )   3.70  1.80  1.30
assign (resid   57  and name HB+   ) (resid   55  and name HN    )   3.92  2.02  2.08
assign (resid   28  and name HG*   ) (resid   56  and name HN    )   4.22  2.32  3.18
assign (resid   52  and name HA    ) (resid   56  and name HN    )   4.27  2.37  0.73
assign (resid   53  and name HN    ) (resid   56  and name HN    )   3.45  1.55  1.55
assign (resid   54  and name HA    ) (resid   56  and name HN    )   3.80  1.90  1.20
assign (resid   54  and name HG*   ) (resid   56  and name HN    )   4.37  2.47  3.03
assign (resid   54  and name HN    ) (resid   56  and name HN    )   4.07  2.17  0.93
assign (resid   55  and name HA    ) (resid   56  and name HN    )   3.53  1.63  1.47
assign (resid   55  and name HB+   ) (resid   56  and name HN    )   3.10  1.20  1.20
assign (resid   55  and name HG+   ) (resid   56  and name HN    )   3.98  2.08  2.02
assign (resid   55  and name HN    ) (resid   56  and name HN    )   3.58  1.68  1.42
assign (resid   56  and name HA    ) (resid   56  and name HN    )   2.82  0.92  0.48
assign (resid   56  and name HB+   ) (resid   56  and name HN    )   2.55  0.65  1.15
assign (resid   56  and name HD+   ) (resid   56  and name HN    )   2.99  1.09  1.31
assign (resid   57  and name HB+   ) (resid   56  and name HN    )   3.93  2.03  2.07
assign (resid   57  and name HD1+  ) (resid   56  and name HN    )   4.39  2.49  1.61
assign (resid   57  and name HD2+  ) (resid   56  and name HN    )   4.39  2.49  1.61
assign (resid   57  and name HN    ) (resid   56  and name HN    )   2.63  0.73  0.67 
assign (resid    7  and name HD1+  ) (resid   57  and name HN    )   4.25  2.35  1.75
assign (resid   28  and name HG*   ) (resid   57  and name HN    )   3.49  1.59  3.91
assign (resid   52  and name HB+   ) (resid   57  and name HN    )   3.79  1.89  2.21
assign (resid   53  and name HN    ) (resid   57  and name HN    )   3.91  2.01  1.09
assign (resid   54  and name HA    ) (resid   57  and name HN    )   3.05  1.15  0.25
assign (resid   54  and name HG*   ) (resid   57  and name HN    )   3.50  1.60  3.90
assign (resid   56  and name HB+   ) (resid   57  and name HN    )   2.91  1.01  1.39
assign (resid   56  and name HD+   ) (resid   57  and name HN    )   3.85  1.95  2.15
assign (resid   56  and name HN    ) (resid   57  and name HN    )   2.72  0.82  0.58
assign (resid   57  and name HA    ) (resid   57  and name HN    )   2.82  0.92  0.48
assign (resid   57  and name HB+   ) (resid   57  and name HN    )   2.65  0.75  1.05
assign (resid   57  and name HB+   ) (resid   57  and name HN    )   2.81  0.91  1.49
assign (resid   57  and name HD1+  ) (resid   57  and name HN    )   3.05  1.15  1.25
assign (resid   57  and name HD2+  ) (resid   57  and name HN    )   3.05  1.15  1.25
assign (resid   57  and name HG    ) (resid   57  and name HN    )   2.42  0.52  0.28
assign (resid   58  and name HN    ) (resid   57  and name HN    )   2.72  0.82  0.58
assign (resid    7  and name HD1+  ) (resid   58  and name HN    )   3.85  1.95  2.15
assign (resid    7  and name HD2+  ) (resid   58  and name HN    )   3.85  1.95  2.15
assign (resid   54  and name HA    ) (resid   58  and name HN    )   3.68  1.78  1.32
assign (resid   54  and name HG*   ) (resid   58  and name HN    )   2.42  0.52  2.68
assign (resid   54  and name HG*   ) (resid   58  and name HN    )   3.39  1.49  4.01
assign (resid   56  and name HN    ) (resid   58  and name HN    )   3.48  1.58  1.52
assign (resid   57  and name HA    ) (resid   58  and name HN    )   3.33  1.43  1.67
assign (resid   57  and name HB+   ) (resid   58  and name HN    )   2.42  0.52  1.28
assign (resid   57  and name HB+   ) (resid   58  and name HN    )   2.73  0.83  1.57
assign (resid   57  and name HG    ) (resid   58  and name HN    )   3.41  1.51  1.59
assign (resid   57  and name HN    ) (resid   58  and name HN    )   2.73  0.83  0.57
assign (resid   58  and name HA    ) (resid   58  and name HN    )   2.70  0.80  0.60 
assign (resid   58  and name HB    ) (resid   58  and name HN    )   3.37  1.47  1.63
assign (resid   59  and name HN    ) (resid   58  and name HN    )   2.77  0.87  0.53
assign (resid   60  and name HB+   ) (resid   58  and name HN    )   3.98  2.08  2.02
assign (resid   60  and name HN    ) (resid   58  and name HN    )   3.48  1.58  1.52
assign (resid   70  and name HG*   ) (resid   58  and name HN    )   3.39  1.49  4.01
assign (resid   28  and name HG*   ) (resid   59  and name HN    )   4.37  2.47  3.03
assign (resid   55  and name HG+   ) (resid   59  and name HN    )   4.82  2.92  1.18
assign (resid   56  and name HA    ) (resid   59  and name HN    )   3.13  1.23  0.17
assign (resid   57  and name HN    ) (resid   59  and name HN    )   3.43  1.53  1.57
assign (resid   58  and name HB    ) (resid   59  and name HN    )   3.60  1.70  1.40
assign (resid   58  and name HG2+  ) (resid   59  and name HN    )   3.31  1.41  2.69
assign (resid   58  and name HN    ) (resid   59  and name HN    )   2.68  0.78  0.02
assign (resid   59  and name HA    ) (resid   59  and name HN    )   2.54  0.64  0.16
assign (resid   59  and name HB+   ) (resid   59  and name HN    )   2.36  0.46  1.34
assign (resid   59  and name HG+   ) (resid   59  and name HN    )   3.00  1.10  1.30
assign (resid   60  and name HN    ) (resid   59  and name HN    )   2.62  0.72  0.08
assign (resid   62  and name HB+   ) (resid   59  and name HN    )   3.55  1.65  2.45
assign (resid   28  and name HG*   ) (resid   60  and name HN    )   3.49  1.59  3.91
assign (resid   28  and name HG*   ) (resid   60  and name HN    )   3.73  1.83  3.67
assign (resid   56  and name HD+   ) (resid   60  and name HN    )   3.84  1.94  2.16
assign (resid   57  and name HA    ) (resid   60  and name HN    )   3.11  1.21  0.19
assign (resid   57  and name HD2+  ) (resid   60  and name HN    )   4.37  2.47  1.63
assign (resid   58  and name HN    ) (resid   60  and name HN    )   3.94  2.04  1.06
assign (resid   59  and name HB+   ) (resid   60  and name HN    )   2.74  0.84  1.56
assign (resid   59  and name HN    ) (resid   60  and name HN    )   2.59  0.69  0.11
assign (resid   60  and name HA    ) (resid   60  and name HN    )   2.58  0.68  0.12
assign (resid   60  and name HB+   ) (resid   60  and name HN    )   2.28  0.38  1.42
assign (resid   61  and name HG2+  ) (resid   60  and name HN    )   3.42  1.52  2.58
assign (resid   63  and name HB+   ) (resid   60  and name HN    )   4.20  2.30  1.80
assign (resid   63  and name HN    ) (resid   60  and name HN    )   4.48  2.58  0.52

assign (resid    7  and name HD2+  ) (resid   61  and name HN    )   4.08  2.18  1.92
assign (resid   28  and name HG*   ) (resid   61  and name HN    )   3.88  1.98  3.52
assign (resid   58  and name HN    ) (resid   61  and name HN    )   4.10  2.20  0.90
assign (resid   60  and name HB+   ) (resid   61  and name HN    )   2.61  0.71  1.09
assign (resid   60  and name HN    ) (resid   61  and name HN    )   2.83  0.93  0.47
assign (resid   61  and name HA    ) (resid   61  and name HN    )   2.72  0.82  0.58
assign (resid   61  and name HB    ) (resid   61  and name HN    )   3.39  1.49  1.61
assign (resid   61  and name HG2+  ) (resid   61  and name HN    )   2.43  0.53  1.27
assign (resid   62  and name HA    ) (resid   61  and name HN    )   4.22  2.32  0.78
assign (resid   62  and name HB+   ) (resid   61  and name HN    )   3.50  1.60  2.50
assign (resid   62  and name HN    ) (resid   61  and name HN    )   2.55  0.65  0.15
assign (resid   63  and name HN    ) (resid   61  and name HN    )   3.87  1.97  1.13

assign (resid   25  and name HD1+  ) (resid   62  and name HN    )   4.49  2.59  1.51
assign (resid   59  and name HA    ) (resid   62  and name HN    )   3.05  1.15  0.25
assign (resid   59  and name HB+   ) (resid   62  and name HN    )   4.01  2.11  1.99
assign (resid   60  and name HN    ) (resid   62  and name HN    )   3.76  1.86  1.24
assign (resid   61  and name HA    ) (resid   62  and name HN    )   3.28  1.38  0.02
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    )   3.25  1.35  1.05
assign (resid   62  and name HA    ) (resid   62  and name HN    )   2.70  0.80  0.60
assign (resid   62  and name HB+   ) (resid   62  and name HN    )   2.28  0.38  1.42
assign (resid   63  and name HB+   ) (resid   62  and name HN    )   4.07  2.17  1.93
assign (resid   63  and name HN    ) (resid   62  and name HN    )   2.80  0.90  0.50
assign (resid   64  and name HB+   ) (resid   62  and name HN    )   3.48  1.58  2.52
assign (resid   64  and name HN    ) (resid   62  and name HN    )   3.96  2.06  1.04
assign (resid   66  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    )   3.94  2.04  1.06

assign (resid   59  and name HB+   ) (resid   63  and name HN    )   4.23  2.33  1.77
assign (resid   60  and name HA    ) (resid   63  and name HN    )   2.93  1.03  0.37
assign (resid   59  and name HG+   ) (resid   63  and name HN    )   3.39  1.49  2.61 
assign (resid   60  and name HN    ) (resid   63  and name HN    )   4.18  2.28  0.82
assign (resid   61  and name HA    ) (resid   63  and name HN    )   3.93  2.03  1.07
assign (resid   62  and name HA    ) (resid   63  and name HN    )   3.31  1.41  1.69
assign (resid   62  and name HB+   ) (resid   63  and name HN    )   2.51  0.61  1.19
assign (resid   62  and name HN    ) (resid   63  and name HN    )   2.71  0.81  0.59
assign (resid   63  and name HA    ) (resid   63  and name HN    )   2.69  0.79  0.61 
assign (resid   63  and name HB+   ) (resid   63  and name HN    )   2.40  0.50  1.30
assign (resid   64  and name HA    ) (resid   63  and name HN    )   3.89  1.99  1.11
assign (resid   64  and name HB+   ) (resid   63  and name HN    )   3.36  1.46  2.64
assign (resid   64  and name HN    ) (resid   63  and name HN    )   2.70  0.80  0.60

assign (resid   24  and name HB+   ) (resid   64  and name HN    )   3.45  1.55  2.55
assign (resid   60  and name HA    ) (resid   64  and name HN    )   3.63  1.73  1.37
assign (resid   60  and name HB+   ) (resid   64  and name HN    )   3.33  1.43  2.67
assign (resid   61  and name HA    ) (resid   64  and name HN    )   3.17  1.27  0.13
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    )   3.57  1.67  1.43
assign (resid   62  and name HB+   ) (resid   64  and name HN    )   3.73  1.83  2.27
assign (resid   63  and name HA    ) (resid   64  and name HN    )   3.26  1.36  1.74 
assign (resid   63  and name HB+   ) (resid   64  and name HN    )   2.95  1.05  1.35
assign (resid   63  and name HN    ) (resid   64  and name HN    )   2.76  0.86  0.54
assign (resid   64  and name HA    ) (resid   64  and name HN    )   2.69  0.79  0.61 
assign (resid   64  and name HB+   ) (resid   64  and name HN    )   2.32  0.42  1.38
assign (resid   65  and name HA1   ) (resid   64  and name HN    )   3.61  1.71  1.39
assign (resid   65  and name HA2   ) (resid   64  and name HN    )   3.62  1.72  1.38
assign (resid   65  and name HN    ) (resid   64  and name HN    )   2.58  0.68  0.12
assign (resid   66  and name HB+   ) (resid   64  and name HN    )   4.70  2.80  1.30
assign (resid   66  and name HD2   ) (resid   64  and name HN    )   4.10  2.20  0.90
assign (resid   66  and name HN    ) (resid   64  and name HN    )   3.35  1.45  1.65

assign (resid   61  and name HA    ) (resid   65  and name HN    )   4.38  2.48  0.62
assign (resid   62  and name HB+   ) (resid   65  and name HN    )   4.11  2.21  1.89
assign (resid   63  and name HA    ) (resid   65  and name HN    )   3.88  1.98  1.12
assign (resid   63  and name HN    ) (resid   65  and name HN    )   4.12  2.22  0.88
assign (resid   64  and name HA    ) (resid   65  and name HN    )   3.40  1.50  1.60
assign (resid   64  and name HB+   ) (resid   65  and name HN    )   3.28  1.38  1.02
assign (resid   64  and name HN    ) (resid   65  and name HN    )   2.80  0.90  0.50
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    )   2.71  0.81  0.59
assign (resid   66  and name HB+   ) (resid   65  and name HN    )   4.61  2.71  1.39
assign (resid   66  and name HD2   ) (resid   65  and name HN    )   4.09  2.19  0.91
assign (resid   66  and name HN    ) (resid   65  and name HN    )   2.79  0.89  0.51

assign (resid    9   and name HB    ) (resid   66   and name HD+   )   3.65  1.75  1.35
assign (resid    9   and name HG*   ) (resid   66   and name HD+   )   2.49  0.59  3.61
assign (resid   66   and name HB+   ) (resid   66   and name HD+   )   2.38  0.48  3.32
assign (resid   66   and name HB+   ) (resid   66   and name HD+   )   2.35  0.45  3.35
assign (resid   11   and name HA+   ) (resid   66   and name HD1   )   3.51  1.61  2.49
assign (resid   66   and name HA    ) (resid   66   and name HD1   )   2.93  1.03  0.37
assign (resid   20   and name HB    ) (resid   66   and name HD2   )   3.48  1.58  1.52
assign (resid   20   and name HG2+  ) (resid   66   and name HD2   )   2.61  0.71  1.09
assign (resid   21   and name HA    ) (resid   66   and name HD2   )   3.48  1.58  1.52
assign (resid   21   and name HG*   ) (resid   66   and name HD2   )   2.50  0.60  2.60
assign (resid   21   and name HG*   ) (resid   66   and name HD2   )   3.33  1.43  4.07
assign (resid   24   and name HB+   ) (resid   66   and name HD2   )   3.48  1.58  2.52
assign (resid   61   and name HG2+  ) (resid   66   and name HD2   )   3.53  1.63  2.47
assign (resid   64   and name HB+   ) (resid   66   and name HD2   )   2.41  0.51  2.29
assign (resid   65   and name HA1   ) (resid   66   and name HD2   )   3.73  1.83  1.27
assign (resid   66   and name HB+   ) (resid   66   and name HE+   )   3.28  1.38  1.02
assign (resid   66   and name HB+   ) (resid   66   and name HE+   )   3.26  1.36  1.04
assign (resid    9   and name HG*   ) (resid   66   and name HE2   )   3.05  1.15  2.65
assign (resid   20   and name HA    ) (resid   66   and name HE2   )   3.65  1.75  1.35
assign (resid   20   and name HB    ) (resid   66   and name HE2   )   2.66  0.76  0.04
assign (resid   20   and name HG2+  ) (resid   66   and name HE2   )   2.10  0.20  1.60
assign (resid   21   and name HG*   ) (resid   66   and name HE2   )   2.79  0.89  2.91
assign (resid   21   and name HG*   ) (resid   66   and name HE2   )   3.78  1.88  3.62
assign (resid   64   and name HB+   ) (resid   66   and name HE2   )   2.85  0.95  2.45

assign (resid    9  and name HG*   ) (resid   66  and name HN    )   4.31  2.41  3.09
assign (resid   21  and name HG*   ) (resid   66  and name HN    )   4.45  2.55  2.95
assign (resid   62  and name HA    ) (resid   66  and name HN    )   2.71  0.81  0.59
assign (resid   62  and name HB+   ) (resid   66  and name HN    )   3.72  1.82  2.28
assign (resid   63  and name HA    ) (resid   66  and name HN    )   4.25  2.35  0.75
assign (resid   63  and name HN    ) (resid   66  and name HN    )   4.26  2.36  0.74
assign (resid   64  and name HB+   ) (resid   66  and name HN    )   3.28  1.38  2.72 
assign (resid   64  and name HN    ) (resid   66  and name HN    )   3.45  1.55  1.55
assign (resid   65  and name HA1   ) (resid   66  and name HN    )   3.22  1.32  1.78 
assign (resid   65  and name HA2   ) (resid   66  and name HN    )   3.02  1.12  0.28
assign (resid   65  and name HN    ) (resid   66  and name HN    )   2.63  0.73  0.07
assign (resid   66  and name HB+   ) (resid   66  and name HN    )   3.24  1.34  2.76 
assign (resid   66  and name HB+   ) (resid   66  and name HN    )   2.88  0.98  1.42
assign (resid   66  and name HD2   ) (resid   66  and name HN    )   2.88  0.98  0.42
assign (resid   68  and name HB+   ) (resid   66  and name HN    )   3.60  1.70  2.40

assign (resid    9  and name HA    ) (resid   68  and name HA    )   2.49  0.59  0.21
assign (resid    9  and name HA    ) (resid   68  and name HN    )   4.08  2.18  0.92
assign (resid    9  and name HG*   ) (resid   68  and name HN    )   4.28  2.38  3.12
assign (resid    9  and name HG*   ) (resid   68  and name HN    )   4.74  2.84  2.66
assign (resid   61  and name HG2+  ) (resid   68  and name HN    )   3.66  1.76  2.34
assign (resid   62  and name HA    ) (resid   68  and name HN    )   3.78  1.88  1.22
assign (resid   62  and name HB+   ) (resid   68  and name HN    )   3.46  1.56  2.54
assign (resid   62  and name HN    ) (resid   68  and name HN    )   4.27  2.37  0.73
assign (resid   66  and name HB+   ) (resid   68  and name HN    )   3.24  1.34  2.76 
assign (resid   66  and name HN    ) (resid   68  and name HN    )   4.85  2.95  0.15
assign (resid   68  and name HA    ) (resid   68  and name HN    )   3.30  1.40  1.70 
assign (resid   68  and name HB+   ) (resid   68  and name HN    )   3.61  1.71  2.39
assign (resid   68  and name HB+   ) (resid   68  and name HN    )   3.54  1.64  2.46
assign (resid   69  and name HN    ) (resid   68  and name HN    )   4.23  2.33  0.77

assign (resid    7  and name HA    ) (resid   69  and name HN    )   3.54  1.64  1.46
assign (resid    7  and name HB+   ) (resid   69  and name HN    )   3.77  1.87  3.23
assign (resid    7  and name HD1+  ) (resid   69  and name HN    )   3.78  1.88  2.22
assign (resid    7  and name HG    ) (resid   69  and name HN    )   3.45  1.55  1.55
assign (resid    8  and name HB+   ) (resid   69  and name HN    )   2.96  1.06  2.34
assign (resid    8  and name HN    ) (resid   69  and name HN    )   2.89  0.99  0.41
assign (resid    9  and name HG*   ) (resid   69  and name HN    )   4.29  2.39  3.11
assign (resid   68  and name HA    ) (resid   69  and name HN    )   2.43  0.53  0.27
assign (resid   68  and name HB+   ) (resid   69  and name HN    )   2.87  0.97  1.43
assign (resid   69  and name HA    ) (resid   69  and name HN    )   2.90  1.00  0.40
assign (resid   69  and name HB+   ) (resid   69  and name HN    )   2.48  0.58  1.22
assign (resid   70  and name HA    ) (resid   69  and name HN    )   3.72  1.82  1.28
assign (resid   70  and name HB    ) (resid   69  and name HN    )   4.45  2.55  0.55
assign (resid   70  and name HG*   ) (resid   69  and name HN    )   4.06  2.16  3.34
assign (resid   70  and name HN    ) (resid   69  and name HN    )   3.90  2.00  1.10

assign (resid    7  and name HA    ) (resid   70  and name HA    )   2.24  0.34  0.46
assign (resid    7  and name HD1+  ) (resid   70  and name HN    )   3.44  1.54  2.56
assign (resid    8  and name HN    ) (resid   70  and name HN    )   4.32  2.42  0.68
assign (resid   58  and name HG2+  ) (resid   70  and name HN    )   3.30  1.40  2.70
assign (resid   69  and name HA    ) (resid   70  and name HN    )   2.35  0.45  0.35
assign (resid   69  and name HB+   ) (resid   70  and name HN    )   2.53  0.63  1.17
assign (resid   69  and name HN    ) (resid   70  and name HN    )   3.92  2.02  1.08
assign (resid   70  and name HA    ) (resid   70  and name HN    )   2.91  1.01  0.39
assign (resid   70  and name HB    ) (resid   70  and name HN    )   2.39  0.49  0.31
assign (resid   70  and name HG*   ) (resid   70  and name HN    )   2.37  0.47  2.73
assign (resid   71  and name HA    ) (resid   70  and name HN    )   4.58  2.68  0.42

assign (resid    5  and name HA    ) (resid   71  and name HN    )   3.93  2.03  1.0
assign (resid   70  and name HN    ) (resid   71  and name HN    )   3.20  1.30  1.80  
assign (resid    6  and name HN    ) (resid   71  and name HN    )   3.20  1.30  1.80  
assign (resid    7  and name HA    ) (resid   71  and name HN    )   2.78  0.88  0.52
assign (resid    7  and name HD1+  ) (resid   71  and name HN    )   3.18  1.28  1.12
assign (resid    7  and name HG    ) (resid   71  and name HN    )   4.12  2.22  0.88
assign (resid    7  and name HN    ) (resid   71  and name HN    )   4.40  2.50  0.60
assign (resid    8  and name HN    ) (resid   71  and name HN    )   3.29  1.39  1.71 
assign (resid   70  and name HA    ) (resid   71  and name HN    )   2.17  0.27  0.53
assign (resid   70  and name HB    ) (resid   71  and name HN    )   3.47  1.57  1.53
assign (resid   70  and name HG*   ) (resid   71  and name HN    )   2.47  0.57  2.63
assign (resid   71  and name HA    ) (resid   71  and name HN    )   2.80  0.90  0.50
assign (resid   71  and name HB+   ) (resid   71  and name HN    )   2.74  0.84  1.56
assign (resid   72  and name HN    ) (resid   71  and name HN    )   3.34  1.44  1.66

assign (resid    5  and name HA    ) (resid   72  and name HN    )   3.75  1.85  1.25
assign (resid   70  and name HA    ) (resid   72  and name HN    )   3.55  1.65  1.45
assign (resid   70  and name HG*   ) (resid   72  and name HN    )   3.17  1.27  4.33 
assign (resid   70  and name HN    ) (resid   72  and name HN    )   4.11  2.21  0.89
assign (resid   71  and name HA    ) (resid   72  and name HN    )   2.16  0.26  0.54
assign (resid   71  and name HB+   ) (resid   72  and name HN    )   3.29  1.39  2.71 
assign (resid   71  and name HD+   ) (resid   72  and name HN    )   3.29  1.39  2.71 
assign (resid   71  and name HG+   ) (resid   72  and name HN    )   2.99  1.09  1.31
assign (resid   71  and name HN    ) (resid   72  and name HN    )   3.22  1.32  1.78 
assign (resid   72  and name HB+   ) (resid   72  and name HN    )   3.28  1.38  2.72 
assign (resid   72  and name HB+   ) (resid   72  and name HN    )   2.83  0.93  1.47
assign (resid   72  and name HG+   ) (resid   72  and name HN    )   2.98  1.08  1.32

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   46  and name O     ) (resid   33  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   42  and name O     ) (resid   37  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   37  and name O     ) (resid   42  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   35  and name O     ) (resid   44  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   33  and name O     ) (resid   46  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   45  and name O     ) (resid    5  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 (resid    8  and name O     ) (resid   69  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   43  and name O     ) (resid    7  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    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 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   46  and name O     ) (resid   33  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   42  and name O     ) (resid   37  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   37  and name O     ) (resid   42  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   35  and name O     ) (resid   44  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   33  and name O     ) (resid   46  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   45  and name O     ) (resid    5  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    8  and name O     ) (resid   69  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   43  and name O     ) (resid    7  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    1  and name O     ) (resid   49  and name N     )   2.85  0.45  0.45

 
  
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    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   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   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           HT3      ALA   1  16.408   1.379  -0.541
    2   2H    ALA   1           HT2      ALA   1  17.792   1.995  -1.311
    3   3H    ALA   1           HT1      ALA   1  17.799   1.723   0.366
    4    HA   ALA   1           HA       ALA   1  17.537   4.056   0.087
    5   1HB   ALA   1           HB1      ALA   1  16.625   3.278  -2.355
    6   2HB   ALA   1           HB3      ALA   1  15.106   3.739  -1.584
    7   3HB   ALA   1           HB2      ALA   1  16.417   4.910  -1.721
    8    H    THR   2           HN       THR   2  15.113   5.278   0.426
    9    HA   THR   2           HA       THR   2  13.377   3.654   2.135
   10    HB   THR   2           HB       THR   2  13.871   5.867   3.675
   11    HG1  THR   2           HG1      THR   2  15.745   6.604   3.151
   12   1HG2  THR   2          HG22      THR   2  13.705   3.528   4.445
   13   2HG2  THR   2          HG21      THR   2  15.313   3.211   3.793
   14   3HG2  THR   2          HG23      THR   2  15.112   4.332   5.139
   15    H    GLN   3           HN       GLN   3  11.829   4.256   0.470
   16    HA   GLN   3           HA       GLN   3  11.092   7.172   0.504
   17   1HB   GLN   3           HB2      GLN   3  11.250   5.130  -1.715
   18   2HB   GLN   3           HB1      GLN   3  10.336   6.627  -1.899
   19   1HG   GLN   3           HG2      GLN   3  12.907   7.239  -0.773
   20   2HG   GLN   3           HG1      GLN   3  13.133   6.256  -2.220
   21   1HE2  GLN   3          HE22      GLN   3  12.907   9.479  -3.798
   22   2HE2  GLN   3          HE21      GLN   3  14.015   8.358  -3.167
   23    H    THR   4           HN       THR   4   8.788   7.565  -0.098
   24    HA   THR   4           HA       THR   4   6.994   5.300   0.697
   25    HB   THR   4           HB       THR   4   7.473   7.014   2.492
   26    HG1  THR   4           HG1      THR   4   5.301   7.215   3.023
   27   1HG2  THR   4          HG23      THR   4   7.674   8.946   0.937
   28   2HG2  THR   4          HG22      THR   4   5.944   8.838   0.616
   29   3HG2  THR   4          HG21      THR   4   6.517   9.248   2.233
   30    H    VAL   5           HN       VAL   5   5.267   5.032  -0.666
   31    HA   VAL   5           HA       VAL   5   4.663   7.199  -2.682
   32    HB   VAL   5           HB       VAL   5   4.336   4.215  -3.010
   33   1HG1  VAL   5          HG13      VAL   5   4.125   6.653  -4.721
   34   2HG1  VAL   5          HG12      VAL   5   4.685   5.160  -5.472
   35   3HG1  VAL   5          HG11      VAL   5   3.106   5.219  -4.690
   36   1HG2  VAL   5          HG21      VAL   5   6.768   5.850  -3.034
   37   2HG2  VAL   5          HG23      VAL   5   6.602   4.094  -3.045
   38   3HG2  VAL   5          HG22      VAL   5   6.510   4.998  -4.557
   39    H    THR   6           HN       THR   6   2.368   6.889  -3.521
   40    HA   THR   6           HA       THR   6   0.576   6.190  -1.247
   41    HB   THR   6           HB       THR   6  -0.956   7.582  -2.947
   42    HG1  THR   6           HG1      THR   6   1.630   8.603  -3.442
   43   1HG2  THR   6          HG21      THR   6   0.793   8.260  -0.724
   44   2HG2  THR   6          HG23      THR   6   0.534   9.635  -1.798
   45   3HG2  THR   6          HG22      THR   6  -0.846   8.817  -1.066
   46    H    LEU   7           HN       LEU   7  -1.397   4.958  -1.948
   47    HA   LEU   7           HA       LEU   7  -0.936   3.521  -4.525
   48   1HB   LEU   7           HB2      LEU   7  -0.895   2.600  -1.761
   49   2HB   LEU   7           HB1      LEU   7  -2.069   1.703  -2.723
   50    HG   LEU   7           HG       LEU   7  -0.418   1.025  -4.289
   51   1HD1  LEU   7          HD11      LEU   7   1.219   3.208  -3.047
   52   2HD1  LEU   7          HD13      LEU   7   1.997   1.890  -3.921
   53   3HD1  LEU   7          HD12      LEU   7   0.844   2.930  -4.741
   54   1HD2  LEU   7          HD23      LEU   7  -0.301  -0.056  -1.982
   55   2HD2  LEU   7          HD22      LEU   7   1.173  -0.179  -2.943
   56   3HD2  LEU   7          HD21      LEU   7   1.061   1.015  -1.650
   57    H    ALA   8           HN       ALA   8  -2.845   2.632  -5.457
   58    HA   ALA   8           HA       ALA   8  -5.333   4.070  -4.596
   59   1HB   ALA   8           HB3      ALA   8  -4.218   3.067  -7.213
   60   2HB   ALA   8           HB2      ALA   8  -5.933   3.448  -7.054
   61   3HB   ALA   8           HB1      ALA   8  -4.722   4.702  -6.786
   62    H    VAL   9           HN       VAL   9  -6.331   2.600  -3.202
   63    HA   VAL   9           HA       VAL   9  -6.792  -0.185  -4.224
   64    HB   VAL   9           HB       VAL   9  -5.600  -0.253  -2.159
   65   1HG1  VAL   9          HG12      VAL   9  -7.360   2.084  -1.458
   66   2HG1  VAL   9          HG11      VAL   9  -6.644   1.116  -0.169
   67   3HG1  VAL   9          HG13      VAL   9  -5.607   1.937  -1.335
   68   1HG2  VAL   9          HG22      VAL   9  -8.333  -1.064  -2.236
   69   2HG2  VAL   9          HG21      VAL   9  -7.036  -1.732  -1.246
   70   3HG2  VAL   9          HG23      VAL   9  -8.025  -0.411  -0.627
   71    HA   PRO  10           HA       PRO  10 -10.898   1.920  -4.329
   72   1HB   PRO  10           HB2      PRO  10 -11.615   0.591  -6.678
   73   2HB   PRO  10           HB1      PRO  10 -10.888   2.200  -6.588
   74   1HG   PRO  10           HG2      PRO  10  -9.693  -0.306  -7.512
   75   2HG   PRO  10           HG1      PRO  10  -9.106   1.348  -7.714
   76   1HD   PRO  10           HD2      PRO  10  -8.121  -0.652  -5.892
   77   2HD   PRO  10           HD1      PRO  10  -7.577   1.035  -6.053
   78    H    GLY  11           HN       GLY  11 -10.266  -0.526  -2.752
   79   1HA   GLY  11           HA2      GLY  11 -12.232  -2.535  -3.586
   80   2HA   GLY  11           HA1      GLY  11 -11.273  -2.579  -2.107
   81    H    MET  12           HN       MET  12 -12.066   0.209  -1.426
   82    HA   MET  12           HA       MET  12 -13.630   1.015   0.196
   83   1HB   MET  12           HB2      MET  12 -15.839   1.355  -1.122
   84   2HB   MET  12           HB1      MET  12 -14.373   2.063  -1.798
   85   1HG   MET  12           HG2      MET  12 -14.109   0.168  -3.313
   86   2HG   MET  12           HG1      MET  12 -15.498  -0.639  -2.585
   87   1HE   MET  12           HE2      MET  12 -14.748   0.243  -5.636
   88   2HE   MET  12           HE1      MET  12 -16.131  -0.792  -5.289
   89   3HE   MET  12           HE3      MET  12 -16.332   0.653  -6.289
   90    H    THR  13           HN       THR  13 -13.311  -1.352   1.166
   91    HA   THR  13           HA       THR  13 -15.738  -3.014   1.014
   92    HB   THR  13           HB       THR  13 -14.187  -3.973   3.072
   93    HG1  THR  13           HG1      THR  13 -12.072  -3.625   2.519
   94   1HG2  THR  13          HG21      THR  13 -14.106  -4.394   0.092
   95   2HG2  THR  13          HG23      THR  13 -13.076  -5.334   1.171
   96   3HG2  THR  13          HG22      THR  13 -14.831  -5.421   1.329
   97    H    CYS  14           HN       CYS  14 -15.318  -0.129   2.319
   98    HA   CYS  14           HA       CYS  14 -16.497   1.028   4.003
   99   1HB   CYS  14           HB2      CYS  14 -17.951  -1.286   3.428
  100   2HB   CYS  14           HB1      CYS  14 -17.771  -1.327   5.182
  101    HG   CYS  14           HG       CYS  14 -19.888   0.158   4.394
  102    H    ALA  15           HN       ALA  15 -14.510   1.390   5.130
  103    HA   ALA  15           HA       ALA  15 -13.106   1.292   7.025
  104   1HB   ALA  15           HB2      ALA  15 -15.722   0.078   7.786
  105   2HB   ALA  15           HB1      ALA  15 -14.378  -0.170   8.899
  106   3HB   ALA  15           HB3      ALA  15 -14.886   1.465   8.482
  107    H    ALA  16           HN       ALA  16 -13.051  -0.863   4.877
  108    HA   ALA  16           HA       ALA  16 -11.615  -2.928   6.514
  109   1HB   ALA  16           HB3      ALA  16 -13.932  -3.121   4.758
  110   2HB   ALA  16           HB2      ALA  16 -12.629  -4.183   4.222
  111   3HB   ALA  16           HB1      ALA  16 -13.269  -4.328   5.859
  112    H    CYS  17           HN       CYS  17 -12.014  -1.396   3.324
  113    HA   CYS  17           HA       CYS  17  -9.817  -2.495   1.941
  114   1HB   CYS  17           HB2      CYS  17 -11.708  -0.486   1.612
  115   2HB   CYS  17           HB1      CYS  17 -10.172   0.378   1.547
  116    HG   CYS  17           HG       CYS  17 -10.028  -2.098  -0.175
  117    HA   PRO  18           HA       PRO  18  -7.056   1.013   3.779
  118   1HB   PRO  18           HB2      PRO  18  -8.184   2.155   6.098
  119   2HB   PRO  18           HB1      PRO  18  -8.104   2.888   4.494
  120   1HG   PRO  18           HG2      PRO  18 -10.426   1.867   5.903
  121   2HG   PRO  18           HG1      PRO  18 -10.360   2.778   4.392
  122   1HD   PRO  18           HD2      PRO  18 -10.898  -0.030   4.738
  123   2HD   PRO  18           HD1      PRO  18 -10.811   0.885   3.214
  124    H    ILE  19           HN       ILE  19  -8.701  -1.384   5.642
  125    HA   ILE  19           HA       ILE  19  -6.711  -1.329   7.842
  126    HB   ILE  19           HB       ILE  19  -9.110  -3.082   7.215
  127   1HG1  ILE  19          HG12      ILE  19  -9.482  -0.589   7.663
  128   2HG1  ILE  19          HG11      ILE  19 -10.333  -1.699   8.737
  129   1HG2  ILE  19          HG22      ILE  19  -7.038  -3.147   9.308
  130   2HG2  ILE  19          HG21      ILE  19  -8.691  -3.190   9.923
  131   3HG2  ILE  19          HG23      ILE  19  -8.144  -4.414   8.778
  132   1HD1  ILE  19          HD11      ILE  19  -7.623  -0.990   9.650
  133   2HD1  ILE  19          HD13      ILE  19  -8.742   0.372   9.586
  134   3HD1  ILE  19          HD12      ILE  19  -9.137  -1.047  10.554
  135    H    THR  20           HN       THR  20  -7.859  -3.477   5.291
  136    HA   THR  20           HA       THR  20  -5.927  -5.569   5.725
  137    HB   THR  20           HB       THR  20  -8.030  -4.725   3.777
  138    HG1  THR  20           HG1      THR  20  -8.857  -6.726   4.383
  139   1HG2  THR  20          HG23      THR  20  -6.069  -6.968   3.269
  140   2HG2  THR  20          HG22      THR  20  -7.535  -6.658   2.337
  141   3HG2  THR  20          HG21      THR  20  -6.219  -5.484   2.328
  142    H    VAL  21           HN       VAL  21  -6.178  -2.752   3.560
  143    HA   VAL  21           HA       VAL  21  -3.877  -3.446   1.988
  144    HB   VAL  21           HB       VAL  21  -5.522  -0.974   2.513
  145   1HG1  VAL  21          HG11      VAL  21  -2.904  -1.212   1.057
  146   2HG1  VAL  21          HG13      VAL  21  -4.128  -0.087   0.469
  147   3HG1  VAL  21          HG12      VAL  21  -3.482   0.087   2.101
  148   1HG2  VAL  21          HG22      VAL  21  -5.339  -3.115   0.490
  149   2HG2  VAL  21          HG21      VAL  21  -6.715  -2.107   0.938
  150   3HG2  VAL  21          HG23      VAL  21  -5.501  -1.493  -0.184
  151    H    LYS  22           HN       LYS  22  -4.407  -1.212   4.713
  152    HA   LYS  22           HA       LYS  22  -1.829  -0.152   5.015
  153   1HB   LYS  22           HB2      LYS  22  -4.115   0.081   6.332
  154   2HB   LYS  22           HB1      LYS  22  -3.364  -1.090   7.414
  155   1HG   LYS  22           HG2      LYS  22  -1.509   1.027   6.668
  156   2HG   LYS  22           HG1      LYS  22  -2.959   1.674   7.436
  157   1HD   LYS  22           HD2      LYS  22  -2.657   0.009   9.284
  158   2HD   LYS  22           HD1      LYS  22  -1.129  -0.473   8.546
  159   1HE   LYS  22           HE2      LYS  22  -0.605   2.119   8.641
  160   2HE   LYS  22           HE1      LYS  22  -1.833   2.103   9.922
  161   1HZ   LYS  22           HZ1      LYS  22  -0.416  -0.113  10.472
  162   2HZ   LYS  22           HZ3      LYS  22   0.804   0.909   9.887
  163   3HZ   LYS  22           HZ2      LYS  22  -0.148   1.395  11.207
  164    H    LYS  23           HN       LYS  23  -3.055  -3.180   6.528
  165    HA   LYS  23           HA       LYS  23  -0.479  -3.876   7.624
  166   1HB   LYS  23           HB2      LYS  23  -1.606  -5.949   8.200
  167   2HB   LYS  23           HB1      LYS  23  -2.744  -4.619   8.417
  168   1HG   LYS  23           HG2      LYS  23  -4.151  -5.673   7.014
  169   2HG   LYS  23           HG1      LYS  23  -2.984  -5.394   5.724
  170   1HD   LYS  23           HD2      LYS  23  -1.789  -7.497   6.484
  171   2HD   LYS  23           HD1      LYS  23  -3.172  -7.811   7.533
  172   1HE   LYS  23           HE2      LYS  23  -4.622  -8.190   5.732
  173   2HE   LYS  23           HE1      LYS  23  -3.620  -7.254   4.604
  174   1HZ   LYS  23           HZ2      LYS  23  -1.831  -8.967   5.112
  175   2HZ   LYS  23           HZ1      LYS  23  -3.078  -9.927   5.753
  176   3HZ   LYS  23           HZ3      LYS  23  -3.114  -9.473   4.120
  177    H    ALA  24           HN       ALA  24  -1.887  -4.328   4.484
  178    HA   ALA  24           HA       ALA  24  -0.393  -6.605   3.634
  179   1HB   ALA  24           HB3      ALA  24  -2.338  -4.820   2.656
  180   2HB   ALA  24           HB2      ALA  24  -0.987  -4.713   1.527
  181   3HB   ALA  24           HB1      ALA  24  -1.741  -6.273   1.854
  182    H    LEU  25           HN       LEU  25   0.123  -3.133   2.977
  183    HA   LEU  25           HA       LEU  25   2.713  -3.509   1.762
  184   1HB   LEU  25           HB2      LEU  25   1.374  -1.110   3.049
  185   2HB   LEU  25           HB1      LEU  25   2.717  -1.051   1.904
  186    HG   LEU  25           HG       LEU  25   0.945  -2.629   0.557
  187   1HD1  LEU  25          HD13      LEU  25  -0.549  -1.169   2.573
  188   2HD1  LEU  25          HD12      LEU  25  -1.074  -0.757   0.940
  189   3HD1  LEU  25          HD11      LEU  25  -1.089  -2.438   1.474
  190   1HD2  LEU  25          HD22      LEU  25   2.021   0.012   0.428
  191   2HD2  LEU  25          HD21      LEU  25   1.434  -0.996  -0.896
  192   3HD2  LEU  25          HD23      LEU  25   0.325   0.084  -0.052
  193    H    SER  26           HN       SER  26   1.581  -2.914   5.038
  194    HA   SER  26           HA       SER  26   4.138  -2.183   6.177
  195   1HB   SER  26           HB2      SER  26   2.898  -2.158   8.152
  196   2HB   SER  26           HB1      SER  26   1.589  -2.048   6.978
  197    HG   SER  26           HG       SER  26   2.512  -4.276   8.442
  198    H    LYS  27           HN       LYS  27   2.665  -5.176   5.180
  199    HA   LYS  27           HA       LYS  27   4.852  -6.668   6.552
  200   1HB   LYS  27           HB2      LYS  27   3.311  -8.564   6.549
  201   2HB   LYS  27           HB1      LYS  27   2.494  -7.160   7.238
  202   1HG   LYS  27           HG2      LYS  27   0.903  -7.982   5.722
  203   2HG   LYS  27           HG1      LYS  27   1.709  -6.724   4.790
  204   1HD   LYS  27           HD2      LYS  27   2.612  -8.196   3.338
  205   2HD   LYS  27           HD1      LYS  27   3.020  -9.342   4.616
  206   1HE   LYS  27           HE2      LYS  27   0.468  -9.822   4.728
  207   2HE   LYS  27           HE1      LYS  27   0.403  -9.036   3.138
  208   1HZ   LYS  27           HZ3      LYS  27   2.448 -11.079   3.717
  209   2HZ   LYS  27           HZ2      LYS  27   0.888 -11.548   3.238
  210   3HZ   LYS  27           HZ1      LYS  27   1.838 -10.580   2.216
  211    H    VAL  28           HN       VAL  28   4.119  -5.378   3.642
  212    HA   VAL  28           HA       VAL  28   4.257  -7.368   1.681
  213    HB   VAL  28           HB       VAL  28   3.927  -4.969   1.270
  214   1HG1  VAL  28          HG12      VAL  28   5.798  -4.407   3.017
  215   2HG1  VAL  28          HG11      VAL  28   6.879  -4.523   1.629
  216   3HG1  VAL  28          HG13      VAL  28   5.570  -3.340   1.630
  217   1HG2  VAL  28          HG22      VAL  28   6.316  -6.243  -0.082
  218   2HG2  VAL  28          HG21      VAL  28   4.648  -6.204  -0.654
  219   3HG2  VAL  28          HG23      VAL  28   5.609  -4.724  -0.632
  220    H    GLU  29           HN       GLU  29   7.084  -5.757   3.249
  221    HA   GLU  29           HA       GLU  29   8.667  -8.121   3.376
  222   1HB   GLU  29           HB2      GLU  29   8.393  -6.825   0.770
  223   2HB   GLU  29           HB1      GLU  29  10.080  -6.978   1.262
  224   1HG   GLU  29           HG2      GLU  29   9.008  -9.428   1.971
  225   2HG   GLU  29           HG1      GLU  29   8.180  -9.059   0.458
  226    H    GLY  30           HN       GLY  30   9.760  -5.039   1.962
  227   1HA   GLY  30           HA2      GLY  30  11.484  -4.669   4.357
  228   2HA   GLY  30           HA1      GLY  30  11.738  -3.903   2.790
  229    H    VAL  31           HN       VAL  31   8.484  -3.700   3.439
  230    HA   VAL  31           HA       VAL  31   8.258  -0.930   3.608
  231    HB   VAL  31           HB       VAL  31   6.414  -2.595   3.399
  232   1HG1  VAL  31          HG12      VAL  31   7.542  -3.735   5.628
  233   2HG1  VAL  31          HG11      VAL  31   6.158  -2.890   6.323
  234   3HG1  VAL  31          HG13      VAL  31   5.914  -4.083   5.047
  235   1HG2  VAL  31          HG21      VAL  31   6.253  -0.116   4.344
  236   2HG2  VAL  31          HG23      VAL  31   4.837  -1.164   4.335
  237   3HG2  VAL  31          HG22      VAL  31   5.764  -0.950   5.818
  238    H    SER  32           HN       SER  32   8.321   0.576   5.184
  239    HA   SER  32           HA       SER  32   9.446  -0.245   7.828
  240   1HB   SER  32           HB2      SER  32   9.633   2.401   6.352
  241   2HB   SER  32           HB1      SER  32  10.508   1.961   7.816
  242    HG   SER  32           HG       SER  32  11.812   1.656   5.992
  243    H    LYS  33           HN       LYS  33   6.840   1.175   6.135
  244    HA   LYS  33           HA       LYS  33   5.259   1.485   8.561
  245   1HB   LYS  33           HB2      LYS  33   6.395   3.472   8.991
  246   2HB   LYS  33           HB1      LYS  33   6.689   3.790   7.283
  247   1HG   LYS  33           HG2      LYS  33   4.375   4.430   6.945
  248   2HG   LYS  33           HG1      LYS  33   3.964   3.956   8.594
  249   1HD   LYS  33           HD2      LYS  33   6.148   5.966   8.176
  250   2HD   LYS  33           HD1      LYS  33   4.470   6.491   8.023
  251   1HE   LYS  33           HE2      LYS  33   4.760   4.823  10.372
  252   2HE   LYS  33           HE1      LYS  33   5.914   6.170  10.427
  253   1HZ   LYS  33           HZ2      LYS  33   4.012   7.606   9.657
  254   2HZ   LYS  33           HZ1      LYS  33   2.981   6.304  10.017
  255   3HZ   LYS  33           HZ3      LYS  33   3.891   7.028  11.250
  256    H    VAL  34           HN       VAL  34   3.050   2.445   7.961
  257    HA   VAL  34           HA       VAL  34   2.420   2.546   5.083
  258    HB   VAL  34           HB       VAL  34   2.563   0.131   5.691
  259   1HG1  VAL  34          HG12      VAL  34   0.808   1.109   7.868
  260   2HG1  VAL  34          HG11      VAL  34   0.322  -0.421   7.141
  261   3HG1  VAL  34          HG13      VAL  34   1.927  -0.253   7.849
  262   1HG2  VAL  34          HG22      VAL  34   0.933   1.075   3.975
  263   2HG2  VAL  34          HG21      VAL  34   0.486  -0.488   4.654
  264   3HG2  VAL  34          HG23      VAL  34  -0.308   0.980   5.224
  265    H    ASP  35           HN       ASP  35   0.004   2.988   4.780
  266    HA   ASP  35           HA       ASP  35  -1.570   3.774   7.110
  267   1HB   ASP  35           HB2      ASP  35   0.221   5.660   5.702
  268   2HB   ASP  35           HB1      ASP  35  -1.422   6.253   5.948
  269    H    VAL  36           HN       VAL  36  -3.540   5.201   6.201
  270    HA   VAL  36           HA       VAL  36  -4.162   4.520   3.383
  271    HB   VAL  36           HB       VAL  36  -6.362   3.511   4.293
  272   1HG1  VAL  36          HG11      VAL  36  -4.459   2.237   3.265
  273   2HG1  VAL  36          HG13      VAL  36  -3.770   2.050   4.878
  274   3HG1  VAL  36          HG12      VAL  36  -5.329   1.319   4.495
  275   1HG2  VAL  36          HG21      VAL  36  -5.762   4.420   6.651
  276   2HG2  VAL  36          HG23      VAL  36  -6.410   2.783   6.543
  277   3HG2  VAL  36          HG22      VAL  36  -4.677   3.033   6.752
  278    H    GLY  37           HN       GLY  37  -6.252   5.516   2.699
  279   1HA   GLY  37           HA2      GLY  37  -7.310   7.657   4.424
  280   2HA   GLY  37           HA1      GLY  37  -6.523   8.186   2.937
  281    H    PHE  38           HN       PHE  38  -9.435   7.037   4.282
  282    HA   PHE  38           HA       PHE  38 -10.581   5.795   1.943
  283   1HB   PHE  38           HB2      PHE  38 -11.267   6.444   4.654
  284   2HB   PHE  38           HB1      PHE  38 -12.582   6.964   3.596
  285    HD1  PHE  38           HD1      PHE  38 -12.319   5.022   1.376
  286    HD2  PHE  38           HD2      PHE  38 -12.096   4.438   5.622
  287    HE1  PHE  38           HE1      PHE  38 -13.021   2.661   1.082
  288    HE2  PHE  38           HE2      PHE  38 -12.799   2.079   5.332
  289    HZ   PHE  38           HZ       PHE  38 -13.276   1.191   3.068
  290    H    GLU  39           HN       GLU  39  -9.774   9.032   2.569
  291    HA   GLU  39           HA       GLU  39 -11.947  10.455   1.386
  292   1HB   GLU  39           HB2      GLU  39  -9.834  11.252   2.655
  293   2HB   GLU  39           HB1      GLU  39  -9.020  11.152   1.093
  294   1HG   GLU  39           HG2      GLU  39 -11.552  12.507   0.793
  295   2HG   GLU  39           HG1      GLU  39 -10.600  13.287   2.057
  296    H    LYS  40           HN       LYS  40  -9.434   8.462   0.022
  297    HA   LYS  40           HA       LYS  40 -10.650   8.768  -2.657
  298   1HB   LYS  40           HB2      LYS  40  -8.405  10.232  -1.858
  299   2HB   LYS  40           HB1      LYS  40  -7.745   8.897  -2.803
  300   1HG   LYS  40           HG2      LYS  40  -9.154   9.444  -4.690
  301   2HG   LYS  40           HG1      LYS  40 -10.035  10.644  -3.744
  302   1HD   LYS  40           HD2      LYS  40  -7.537  11.594  -3.412
  303   2HD   LYS  40           HD1      LYS  40  -7.337  10.821  -4.985
  304   1HE   LYS  40           HE2      LYS  40  -9.811  12.437  -4.677
  305   2HE   LYS  40           HE1      LYS  40  -8.290  13.350  -4.710
  306   1HZ   LYS  40           HZ2      LYS  40  -7.661  11.887  -6.647
  307   2HZ   LYS  40           HZ1      LYS  40  -9.288  11.402  -6.707
  308   3HZ   LYS  40           HZ3      LYS  40  -8.880  13.030  -6.954
  309    H    ARG  41           HN       ARG  41 -10.391   6.624  -0.606
  310    HA   ARG  41           HA       ARG  41  -9.689   4.356  -0.445
  311   1HB   ARG  41           HB2      ARG  41 -10.873   5.080  -3.013
  312   2HB   ARG  41           HB1      ARG  41  -9.848   3.650  -3.145
  313   1HG   ARG  41           HG2      ARG  41 -12.042   2.867  -2.571
  314   2HG   ARG  41           HG1      ARG  41 -11.063   2.731  -1.110
  315   1HD   ARG  41           HD2      ARG  41 -13.191   3.750  -0.498
  316   2HD   ARG  41           HD1      ARG  41 -11.947   5.012  -0.425
  317    HE   ARG  41           HE       ARG  41 -12.861   5.058  -3.063
  318   1HH1  ARG  41          HH21      ARG  41 -14.222   5.353   0.098
  319   2HH1  ARG  41          HH22      ARG  41 -15.497   6.409  -0.408
  320   1HH2  ARG  41          HH11      ARG  41 -14.521   6.438  -3.734
  321   2HH2  ARG  41          HH12      ARG  41 -15.667   7.022  -2.574
  322    H    GLU  42           HN       GLU  42  -7.372   5.673  -0.235
  323    HA   GLU  42           HA       GLU  42  -5.547   4.228  -2.125
  324   1HB   GLU  42           HB2      GLU  42  -4.213   6.304  -2.271
  325   2HB   GLU  42           HB1      GLU  42  -5.866   6.586  -2.819
  326   1HG   GLU  42           HG2      GLU  42  -6.410   7.862  -0.974
  327   2HG   GLU  42           HG1      GLU  42  -5.276   7.014   0.077
  328    H    ALA  43           HN       ALA  43  -3.521   3.606  -1.154
  329    HA   ALA  43           HA       ALA  43  -3.429   3.998   1.822
  330   1HB   ALA  43           HB1      ALA  43  -2.643   1.681   0.030
  331   2HB   ALA  43           HB3      ALA  43  -2.227   1.755   1.743
  332   3HB   ALA  43           HB2      ALA  43  -3.919   1.706   1.248
  333    H    VAL  44           HN       VAL  44  -1.555   4.973   2.589
  334    HA   VAL  44           HA       VAL  44   0.605   5.460   0.573
  335    HB   VAL  44           HB       VAL  44  -0.666   7.354   1.682
  336   1HG1  VAL  44          HG12      VAL  44  -0.457   5.898   3.943
  337   2HG1  VAL  44          HG11      VAL  44   0.953   6.940   4.144
  338   3HG1  VAL  44          HG13      VAL  44  -0.650   7.651   3.959
  339   1HG2  VAL  44          HG22      VAL  44   1.831   7.332   0.841
  340   2HG2  VAL  44          HG21      VAL  44   1.239   8.707   1.774
  341   3HG2  VAL  44          HG23      VAL  44   2.207   7.460   2.559
  342    H    VAL  45           HN       VAL  45   2.561   4.494   0.908
  343    HA   VAL  45           HA       VAL  45   3.108   3.399   3.640
  344    HB   VAL  45           HB       VAL  45   2.202   1.830   1.824
  345   1HG1  VAL  45          HG12      VAL  45   3.688   2.845   0.040
  346   2HG1  VAL  45          HG11      VAL  45   5.048   2.036   0.818
  347   3HG1  VAL  45          HG13      VAL  45   3.733   1.084   0.129
  348   1HG2  VAL  45          HG23      VAL  45   4.743   1.413   3.384
  349   2HG2  VAL  45          HG22      VAL  45   3.133   0.770   3.706
  350   3HG2  VAL  45          HG21      VAL  45   4.095   0.118   2.379
  351    H    THR  46           HN       THR  46   5.210   3.325   4.291
  352    HA   THR  46           HA       THR  46   7.261   4.728   2.609
  353    HB   THR  46           HB       THR  46   6.644   4.471   5.556
  354    HG1  THR  46           HG1      THR  46   7.098   6.746   5.377
  355   1HG2  THR  46          HG23      THR  46   9.307   4.500   4.328
  356   2HG2  THR  46          HG22      THR  46   9.059   5.805   5.488
  357   3HG2  THR  46          HG21      THR  46   8.837   4.128   5.986
  358    H    PHE  47           HN       PHE  47   9.409   3.601   2.590
  359    HA   PHE  47           HA       PHE  47   9.687   1.060   3.952
  360   1HB   PHE  47           HB2      PHE  47   9.406  -0.377   1.987
  361   2HB   PHE  47           HB1      PHE  47   7.934   0.554   2.269
  362    HD1  PHE  47           HD2      PHE  47  11.049   0.401   0.200
  363    HD2  PHE  47           HD1      PHE  47   7.145   2.143   0.688
  364    HE1  PHE  47           HE2      PHE  47  11.203   1.381  -2.065
  365    HE2  PHE  47           HE1      PHE  47   7.302   3.119  -1.585
  366    HZ   PHE  47           HZ       PHE  47   9.324   2.738  -2.962
  367    H    ASP  48           HN       ASP  48  11.431  -0.298   2.685
  368    HA   ASP  48           HA       ASP  48  13.634   1.605   2.023
  369   1HB   ASP  48           HB2      ASP  48  13.633  -1.284   2.974
  370   2HB   ASP  48           HB1      ASP  48  15.075  -0.299   2.727
  371    H    ASP  49           HN       ASP  49  13.861   1.748  -0.175
  372    HA   ASP  49           HA       ASP  49  12.692  -0.065  -2.033
  373   1HB   ASP  49           HB2      ASP  49  13.203   2.187  -2.653
  374   2HB   ASP  49           HB1      ASP  49  14.894   2.000  -2.187
  375    H    THR  50           HN       THR  50  15.460  -0.472  -0.106
  376    HA   THR  50           HA       THR  50  17.103  -2.008  -1.935
  377    HB   THR  50           HB       THR  50  17.999  -0.889   0.041
  378    HG1  THR  50           HG1      THR  50  18.048  -3.649   0.624
  379   1HG2  THR  50          HG21      THR  50  15.664  -2.047   1.266
  380   2HG2  THR  50          HG23      THR  50  17.102  -2.529   2.166
  381   3HG2  THR  50          HG22      THR  50  16.755  -0.819   1.909
  382    H    LYS  51           HN       LYS  51  14.317  -2.733   0.043
  383    HA   LYS  51           HA       LYS  51  14.613  -5.629  -0.672
  384   1HB   LYS  51           HB2      LYS  51  13.947  -4.209   1.882
  385   2HB   LYS  51           HB1      LYS  51  13.234  -5.796   1.590
  386   1HG   LYS  51           HG2      LYS  51  16.176  -5.411   1.141
  387   2HG   LYS  51           HG1      LYS  51  15.575  -5.612   2.787
  388   1HD   LYS  51           HD2      LYS  51  14.539  -7.731   2.208
  389   2HD   LYS  51           HD1      LYS  51  14.957  -7.512   0.509
  390   1HE   LYS  51           HE2      LYS  51  16.623  -8.994   1.429
  391   2HE   LYS  51           HE1      LYS  51  17.408  -7.411   1.275
  392   1HZ   LYS  51           HZ1      LYS  51  16.021  -7.442   3.700
  393   2HZ   LYS  51           HZ3      LYS  51  16.913  -8.883   3.623
  394   3HZ   LYS  51           HZ2      LYS  51  17.702  -7.388   3.462
  395    H    ALA  52           HN       ALA  52  12.725  -2.844  -0.961
  396    HA   ALA  52           HA       ALA  52  10.485  -4.408  -2.092
  397   1HB   ALA  52           HB1      ALA  52  10.529  -3.272   0.557
  398   2HB   ALA  52           HB3      ALA  52   9.297  -2.461  -0.409
  399   3HB   ALA  52           HB2      ALA  52   9.252  -4.213  -0.212
  400    H    SER  53           HN       SER  53   8.660  -2.415  -2.453
  401    HA   SER  53           HA       SER  53   9.528   0.172  -3.165
  402   1HB   SER  53           HB2      SER  53  10.925  -0.261  -4.895
  403   2HB   SER  53           HB1      SER  53  10.524  -1.974  -4.843
  404    HG   SER  53           HG       SER  53   9.955  -0.675  -6.807
  405    H    VAL  54           HN       VAL  54   8.008   1.129  -4.911
  406    HA   VAL  54           HA       VAL  54   5.339   0.901  -4.315
  407    HB   VAL  54           HB       VAL  54   6.900   1.529  -6.796
  408   1HG1  VAL  54          HG13      VAL  54   3.907   1.183  -6.627
  409   2HG1  VAL  54          HG12      VAL  54   4.625   2.340  -7.747
  410   3HG1  VAL  54          HG11      VAL  54   5.008   0.624  -7.885
  411   1HG2  VAL  54          HG23      VAL  54   5.014   3.058  -4.981
  412   2HG2  VAL  54          HG22      VAL  54   6.774   3.173  -5.001
  413   3HG2  VAL  54          HG21      VAL  54   5.836   3.752  -6.378
  414    H    GLN  55           HN       GLN  55   7.013  -1.062  -6.811
  415    HA   GLN  55           HA       GLN  55   4.878  -2.579  -7.779
  416   1HB   GLN  55           HB2      GLN  55   7.357  -2.575  -8.393
  417   2HB   GLN  55           HB1      GLN  55   7.603  -3.675  -7.036
  418   1HG   GLN  55           HG2      GLN  55   5.460  -4.813  -8.364
  419   2HG   GLN  55           HG1      GLN  55   6.464  -4.210  -9.683
  420   1HE2  GLN  55          HE22      GLN  55   9.326  -6.239  -8.559
  421   2HE2  GLN  55          HE21      GLN  55   9.021  -4.626  -8.992
  422    H    LYS  56           HN       LYS  56   6.863  -3.297  -4.891
  423    HA   LYS  56           HA       LYS  56   5.305  -5.615  -4.129
  424   1HB   LYS  56           HB2      LYS  56   7.330  -3.842  -2.733
  425   2HB   LYS  56           HB1      LYS  56   6.702  -5.334  -2.033
  426   1HG   LYS  56           HG2      LYS  56   7.909  -5.313  -4.795
  427   2HG   LYS  56           HG1      LYS  56   8.926  -5.467  -3.361
  428   1HD   LYS  56           HD2      LYS  56   7.101  -7.316  -2.731
  429   2HD   LYS  56           HD1      LYS  56   6.931  -7.383  -4.485
  430   1HE   LYS  56           HE2      LYS  56   9.582  -7.630  -3.018
  431   2HE   LYS  56           HE1      LYS  56   8.649  -8.998  -3.653
  432   1HZ   LYS  56           HZ3      LYS  56   9.045  -6.774  -5.477
  433   2HZ   LYS  56           HZ2      LYS  56  10.443  -7.663  -5.103
  434   3HZ   LYS  56           HZ1      LYS  56   9.092  -8.443  -5.777
  435    H    LEU  57           HN       LEU  57   5.034  -2.156  -3.408
  436    HA   LEU  57           HA       LEU  57   3.381  -2.440  -1.053
  437   1HB   LEU  57           HB2      LEU  57   3.474  -0.231  -3.136
  438   2HB   LEU  57           HB1      LEU  57   2.923  -0.072  -1.470
  439    HG   LEU  57           HG       LEU  57   5.743  -0.773  -2.341
  440   1HD1  LEU  57          HD11      LEU  57   4.303   1.723  -1.795
  441   2HD1  LEU  57          HD13      LEU  57   5.774   1.548  -0.838
  442   3HD1  LEU  57          HD12      LEU  57   5.853   1.474  -2.599
  443   1HD2  LEU  57          HD21      LEU  57   4.364  -1.260   0.116
  444   2HD2  LEU  57          HD23      LEU  57   6.079  -1.489  -0.225
  445   3HD2  LEU  57          HD22      LEU  57   5.503   0.057   0.398
  446    H    THR  58           HN       THR  58   2.533  -1.565  -4.414
  447    HA   THR  58           HA       THR  58  -0.281  -1.817  -4.169
  448    HB   THR  58           HB       THR  58   1.688  -2.184  -6.445
  449    HG1  THR  58           HG1      THR  58   1.577  -0.106  -5.725
  450   1HG2  THR  58          HG21      THR  58  -1.003  -3.032  -6.394
  451   2HG2  THR  58          HG23      THR  58  -0.983  -1.523  -7.307
  452   3HG2  THR  58          HG22      THR  58   0.040  -2.870  -7.807
  453    H    LYS  59           HN       LYS  59   2.266  -4.225  -4.603
  454    HA   LYS  59           HA       LYS  59   0.508  -6.384  -5.333
  455   1HB   LYS  59           HB2      LYS  59   2.998  -6.153  -5.774
  456   2HB   LYS  59           HB1      LYS  59   3.255  -6.485  -4.061
  457   1HG   LYS  59           HG2      LYS  59   2.171  -8.658  -4.275
  458   2HG   LYS  59           HG1      LYS  59   1.766  -8.324  -5.958
  459   1HD   LYS  59           HD2      LYS  59   4.150  -8.217  -6.535
  460   2HD   LYS  59           HD1      LYS  59   4.586  -8.492  -4.848
  461   1HE   LYS  59           HE2      LYS  59   3.909 -10.732  -4.900
  462   2HE   LYS  59           HE1      LYS  59   2.795 -10.464  -6.255
  463   1HZ   LYS  59           HZ2      LYS  59   4.816  -9.846  -7.586
  464   2HZ   LYS  59           HZ1      LYS  59   5.761 -10.473  -6.321
  465   3HZ   LYS  59           HZ3      LYS  59   4.702 -11.489  -7.171
  466    H    ALA  60           HN       ALA  60   1.662  -5.005  -2.315
  467    HA   ALA  60           HA       ALA  60   0.903  -7.196  -0.625
  468   1HB   ALA  60           HB3      ALA  60   2.199  -4.698  -0.449
  469   2HB   ALA  60           HB2      ALA  60   0.814  -4.591   0.637
  470   3HB   ALA  60           HB1      ALA  60   2.004  -5.876   0.849
  471    H    THR  61           HN       THR  61  -0.667  -4.057  -1.381
  472    HA   THR  61           HA       THR  61  -3.100  -4.715   0.053
  473    HB   THR  61           HB       THR  61  -2.550  -2.403  -0.359
  474    HG1  THR  61           HG1      THR  61  -4.343  -1.952  -2.028
  475   1HG2  THR  61          HG23      THR  61  -1.634  -3.454  -2.863
  476   2HG2  THR  61          HG22      THR  61  -2.773  -2.147  -3.183
  477   3HG2  THR  61          HG21      THR  61  -1.353  -1.855  -2.178
  478    H    ALA  62           HN       ALA  62  -1.784  -5.284  -3.073
  479    HA   ALA  62           HA       ALA  62  -4.185  -5.999  -4.486
  480   1HB   ALA  62           HB2      ALA  62  -1.239  -6.614  -4.761
  481   2HB   ALA  62           HB1      ALA  62  -2.419  -7.242  -5.909
  482   3HB   ALA  62           HB3      ALA  62  -2.208  -5.501  -5.725
  483    H    ASP  63           HN       ASP  63  -1.887  -7.770  -2.453
  484    HA   ASP  63           HA       ASP  63  -3.292 -10.333  -2.870
  485   1HB   ASP  63           HB2      ASP  63  -0.714  -9.455  -2.142
  486   2HB   ASP  63           HB1      ASP  63  -1.371 -10.206  -0.687
  487    H    ALA  64           HN       ALA  64  -3.619  -7.567  -0.942
  488    HA   ALA  64           HA       ALA  64  -4.615  -8.828   1.491
  489   1HB   ALA  64           HB2      ALA  64  -3.672  -6.361   0.722
  490   2HB   ALA  64           HB1      ALA  64  -5.410  -6.067   0.773
  491   3HB   ALA  64           HB3      ALA  64  -4.571  -6.648   2.212
  492    H    GLY  65           HN       GLY  65  -5.863  -7.706  -1.582
  493   1HA   GLY  65           HA2      GLY  65  -7.987  -9.099  -2.140
  494   2HA   GLY  65           HA1      GLY  65  -8.631  -8.343  -0.687
  495    H    TYR  66           HN       TYR  66  -6.531  -6.467  -2.803
  496    HA   TYR  66           HA       TYR  66  -8.923  -5.182  -4.034
  497   1HB   TYR  66           HB2      TYR  66  -6.756  -3.715  -2.522
  498   2HB   TYR  66           HB1      TYR  66  -8.221  -3.018  -3.210
  499    HD1  TYR  66           HD1      TYR  66 -10.448  -4.300  -2.427
  500    HD2  TYR  66           HD2      TYR  66  -6.730  -4.136  -0.317
  501    HE1  TYR  66           HE1      TYR  66 -11.640  -4.744  -0.313
  502    HE2  TYR  66           HE2      TYR  66  -7.903  -4.558   1.803
  503    HH   TYR  66           HH       TYR  66 -11.302  -5.448   1.878
  504    HA   PRO  67           HA       PRO  67  -5.857  -5.223  -7.369
  505   1HB   PRO  67           HB2      PRO  67  -7.750  -3.892  -9.047
  506   2HB   PRO  67           HB1      PRO  67  -7.377  -5.619  -9.035
  507   1HG   PRO  67           HG2      PRO  67  -9.772  -4.291  -8.091
  508   2HG   PRO  67           HG1      PRO  67  -9.449  -6.023  -8.213
  509   1HD   PRO  67           HD2      PRO  67  -9.583  -4.439  -5.822
  510   2HD   PRO  67           HD1      PRO  67  -9.167  -6.165  -5.954
  511    H    SER  68           HN       SER  68  -4.522  -3.565  -6.376
  512    HA   SER  68           HA       SER  68  -5.538  -0.772  -6.600
  513   1HB   SER  68           HB2      SER  68  -4.886  -0.895  -4.436
  514   2HB   SER  68           HB1      SER  68  -3.955  -2.361  -4.723
  515    HG   SER  68           HG       SER  68  -2.265  -1.096  -5.474
  516    H    SER  69           HN       SER  69  -3.404   0.751  -6.586
  517    HA   SER  69           HA       SER  69  -1.439  -0.074  -8.642
  518   1HB   SER  69           HB2      SER  69  -3.807   1.568  -9.044
  519   2HB   SER  69           HB1      SER  69  -2.344   2.486  -9.389
  520    HG   SER  69           HG       SER  69  -2.240   1.398 -11.172
  521    H    VAL  70           HN       VAL  70  -0.353   2.500  -8.995
  522    HA   VAL  70           HA       VAL  70   0.161   3.433  -6.221
  523    HB   VAL  70           HB       VAL  70   1.662   1.600  -7.200
  524   1HG1  VAL  70          HG11      VAL  70   1.826   3.355  -9.316
  525   2HG1  VAL  70          HG13      VAL  70   3.333   3.675  -8.458
  526   3HG1  VAL  70          HG12      VAL  70   2.963   2.042  -9.011
  527   1HG2  VAL  70          HG21      VAL  70   2.196   3.887  -5.561
  528   2HG2  VAL  70          HG23      VAL  70   2.949   2.295  -5.479
  529   3HG2  VAL  70          HG22      VAL  70   3.641   3.547  -6.511
  530    H    LYS  71           HN       LYS  71   1.187   5.560  -6.096
  531    HA   LYS  71           HA       LYS  71   0.713   7.162  -8.590
  532   1HB   LYS  71           HB2      LYS  71   0.738   8.336  -5.833
  533   2HB   LYS  71           HB1      LYS  71  -0.166   8.867  -7.247
  534   1HG   LYS  71           HG2      LYS  71  -1.086   6.267  -6.760
  535   2HG   LYS  71           HG1      LYS  71  -0.953   7.005  -5.162
  536   1HD   LYS  71           HD2      LYS  71  -2.126   8.690  -7.303
  537   2HD   LYS  71           HD1      LYS  71  -3.107   7.331  -6.754
  538   1HE   LYS  71           HE2      LYS  71  -2.712   8.136  -4.372
  539   2HE   LYS  71           HE1      LYS  71  -2.012   9.608  -5.073
  540   1HZ   LYS  71           HZ2      LYS  71  -4.533   8.704  -6.210
  541   2HZ   LYS  71           HZ1      LYS  71  -4.616   9.329  -4.632
  542   3HZ   LYS  71           HZ3      LYS  71  -3.992  10.282  -5.888
  543    H    GLN  72           HN       GLN  72   3.096   5.790  -7.332
  544    HA   GLN  72           HA       GLN  72   5.440   6.189  -7.204
  545   1HB   GLN  72           HB2      GLN  72   4.223   8.104  -9.122
  546   2HB   GLN  72           HB1      GLN  72   5.862   8.483  -8.595
  547   1HG   GLN  72           HG2      GLN  72   6.384   5.998  -9.115
  548   2HG   GLN  72           HG1      GLN  72   4.875   6.023 -10.030
  549   1HE2  GLN  72          HE22      GLN  72   7.728   7.053 -12.275
  550   2HE2  GLN  72          HE21      GLN  72   7.448   5.689 -11.304
   
  No H/Q in entry =         550
  Start of MODEL    2
    1   1H    ALA   1           HT2      ALA   1  18.182   3.986   1.683
    2   2H    ALA   1           HT1      ALA   1  18.976   3.599   0.231
    3   3H    ALA   1           HT3      ALA   1  17.930   4.933   0.294
    4    HA   ALA   1           HA       ALA   1  16.613   3.338  -0.737
    5   1HB   ALA   1           HB3      ALA   1  18.416   1.653   0.877
    6   2HB   ALA   1           HB2      ALA   1  16.788   1.001   0.693
    7   3HB   ALA   1           HB1      ALA   1  17.758   1.368  -0.734
    8    H    THR   2           HN       THR   2  15.325   5.009   0.579
    9    HA   THR   2           HA       THR   2  13.526   3.625   2.433
   10    HB   THR   2           HB       THR   2  13.935   6.036   3.658
   11    HG1  THR   2           HG1      THR   2  16.459   5.051   2.851
   12   1HG2  THR   2          HG22      THR   2  15.390   3.439   4.190
   13   2HG2  THR   2          HG21      THR   2  15.184   4.746   5.356
   14   3HG2  THR   2          HG23      THR   2  13.778   3.856   4.772
   15    H    GLN   3           HN       GLN   3  12.057   3.962   0.618
   16    HA   GLN   3           HA       GLN   3  11.404   6.851   0.106
   17   1HB   GLN   3           HB2      GLN   3  10.968   4.432  -1.666
   18   2HB   GLN   3           HB1      GLN   3  10.781   6.125  -2.127
   19   1HG   GLN   3           HG2      GLN   3  13.403   5.536  -0.951
   20   2HG   GLN   3           HG1      GLN   3  13.091   4.639  -2.437
   21   1HE2  GLN   3          HE22      GLN   3  13.689   7.457  -4.441
   22   2HE2  GLN   3          HE21      GLN   3  13.660   5.767  -4.294
   23    H    THR   4           HN       THR   4   9.150   7.336  -0.360
   24    HA   THR   4           HA       THR   4   7.184   5.378   0.759
   25    HB   THR   4           HB       THR   4   7.704   6.944   2.517
   26    HG1  THR   4           HG1      THR   4   5.431   8.054   1.269
   27   1HG2  THR   4          HG21      THR   4   8.834   8.619   1.105
   28   2HG2  THR   4          HG23      THR   4   7.276   9.114   0.443
   29   3HG2  THR   4          HG22      THR   4   7.634   9.380   2.150
   30    H    VAL   5           HN       VAL   5   5.395   5.194  -0.536
   31    HA   VAL   5           HA       VAL   5   4.813   7.356  -2.553
   32    HB   VAL   5           HB       VAL   5   5.906   5.735  -3.800
   33   1HG1  VAL   5          HG11      VAL   5   4.538   3.691  -2.042
   34   2HG1  VAL   5          HG13      VAL   5   5.443   3.261  -3.493
   35   3HG1  VAL   5          HG12      VAL   5   6.266   4.033  -2.138
   36   1HG2  VAL   5          HG23      VAL   5   3.620   6.203  -4.669
   37   2HG2  VAL   5          HG22      VAL   5   4.236   4.624  -5.133
   38   3HG2  VAL   5          HG21      VAL   5   3.051   4.756  -3.835
   39    H    THR   6           HN       THR   6   2.603   7.057  -3.420
   40    HA   THR   6           HA       THR   6   0.765   6.181  -1.241
   41    HB   THR   6           HB       THR   6  -0.735   7.688  -2.883
   42    HG1  THR   6           HG1      THR   6   1.692   9.020  -3.151
   43   1HG2  THR   6          HG21      THR   6  -0.227   8.150  -0.507
   44   2HG2  THR   6          HG23      THR   6   1.333   8.819  -0.986
   45   3HG2  THR   6          HG22      THR   6  -0.159   9.618  -1.483
   46    H    LEU   7           HN       LEU   7  -1.165   4.971  -2.006
   47    HA   LEU   7           HA       LEU   7  -0.733   3.708  -4.678
   48   1HB   LEU   7           HB2      LEU   7  -0.662   2.642  -1.958
   49   2HB   LEU   7           HB1      LEU   7  -1.807   1.773  -2.976
   50    HG   LEU   7           HG       LEU   7  -0.147   1.153  -4.517
   51   1HD1  LEU   7          HD13      LEU   7   1.491   3.357  -3.300
   52   2HD1  LEU   7          HD12      LEU   7   2.218   2.099  -4.299
   53   3HD1  LEU   7          HD11      LEU   7   0.993   3.160  -4.974
   54   1HD2  LEU   7          HD22      LEU   7   1.169   1.200  -1.789
   55   2HD2  LEU   7          HD21      LEU   7   0.148  -0.090  -2.427
   56   3HD2  LEU   7          HD23      LEU   7   1.726   0.226  -3.147
   57    H    ALA   8           HN       ALA   8  -2.668   2.848  -5.626
   58    HA   ALA   8           HA       ALA   8  -5.152   4.225  -4.647
   59   1HB   ALA   8           HB2      ALA   8  -3.815   3.885  -7.188
   60   2HB   ALA   8           HB1      ALA   8  -5.455   3.246  -7.285
   61   3HB   ALA   8           HB3      ALA   8  -5.189   4.919  -6.797
   62    H    VAL   9           HN       VAL   9  -6.415   2.788  -3.501
   63    HA   VAL   9           HA       VAL   9  -6.701   0.003  -4.586
   64    HB   VAL   9           HB       VAL   9  -5.515  -0.141  -2.532
   65   1HG1  VAL   9          HG13      VAL   9  -7.179   2.230  -1.824
   66   2HG1  VAL   9          HG12      VAL   9  -6.709   1.164  -0.501
   67   3HG1  VAL   9          HG11      VAL   9  -5.472   1.920  -1.505
   68   1HG2  VAL   9          HG21      VAL   9  -8.223  -0.992  -2.628
   69   2HG2  VAL   9          HG23      VAL   9  -6.921  -1.660  -1.646
   70   3HG2  VAL   9          HG22      VAL   9  -7.942  -0.378  -1.000
   71    HA   PRO  10           HA       PRO  10 -10.864   1.981  -4.625
   72   1HB   PRO  10           HB2      PRO  10 -11.486   0.721  -7.054
   73   2HB   PRO  10           HB1      PRO  10 -10.884   2.371  -6.864
   74   1HG   PRO  10           HG2      PRO  10  -9.511   0.061  -7.970
   75   2HG   PRO  10           HG1      PRO  10  -8.991   1.749  -7.948
   76   1HD   PRO  10           HD2      PRO  10  -8.034  -0.438  -6.298
   77   2HD   PRO  10           HD1      PRO  10  -7.465   1.250  -6.326
   78    H    GLY  11           HN       GLY  11 -10.634  -0.113  -2.871
   79   1HA   GLY  11           HA2      GLY  11 -12.386  -2.282  -3.933
   80   2HA   GLY  11           HA1      GLY  11 -11.378  -2.418  -2.490
   81    H    MET  12           HN       MET  12 -12.172   0.333  -1.655
   82    HA   MET  12           HA       MET  12 -13.650   1.000   0.108
   83   1HB   MET  12           HB2      MET  12 -15.632   1.880  -0.992
   84   2HB   MET  12           HB1      MET  12 -14.269   2.020  -2.098
   85   1HG   MET  12           HG2      MET  12 -15.031  -0.243  -3.059
   86   2HG   MET  12           HG1      MET  12 -16.529   0.015  -2.170
   87   1HE   MET  12           HE3      MET  12 -17.269   2.327  -1.897
   88   2HE   MET  12           HE2      MET  12 -16.788   3.689  -2.904
   89   3HE   MET  12           HE1      MET  12 -18.250   2.786  -3.296
   90    H    THR  13           HN       THR  13 -13.394  -1.453   0.869
   91    HA   THR  13           HA       THR  13 -15.903  -2.992   0.691
   92    HB   THR  13           HB       THR  13 -14.334  -4.228   2.553
   93    HG1  THR  13           HG1      THR  13 -12.214  -3.785   1.164
   94   1HG2  THR  13          HG22      THR  13 -14.551  -4.313  -0.411
   95   2HG2  THR  13          HG21      THR  13 -13.216  -5.208   0.313
   96   3HG2  THR  13          HG23      THR  13 -14.877  -5.575   0.777
   97    H    CYS  14           HN       CYS  14 -15.341  -0.241   2.164
   98    HA   CYS  14           HA       CYS  14 -16.380   0.832   3.985
   99   1HB   CYS  14           HB2      CYS  14 -18.093  -1.059   3.271
  100   2HB   CYS  14           HB1      CYS  14 -17.584  -1.801   4.787
  101    HG   CYS  14           HG       CYS  14 -18.235   0.668   5.858
  102    H    ALA  15           HN       ALA  15 -14.351   1.097   5.073
  103    HA   ALA  15           HA       ALA  15 -12.874   0.830   6.899
  104   1HB   ALA  15           HB1      ALA  15 -15.412   0.445   7.763
  105   2HB   ALA  15           HB3      ALA  15 -14.724  -1.130   8.157
  106   3HB   ALA  15           HB2      ALA  15 -14.014   0.336   8.834
  107    H    ALA  16           HN       ALA  16 -13.215  -1.321   4.608
  108    HA   ALA  16           HA       ALA  16 -11.655  -3.473   6.014
  109   1HB   ALA  16           HB3      ALA  16 -13.964  -3.448   4.231
  110   2HB   ALA  16           HB2      ALA  16 -12.672  -4.470   3.602
  111   3HB   ALA  16           HB1      ALA  16 -13.330  -4.772   5.210
  112    H    CYS  17           HN       CYS  17 -12.073  -1.708   2.945
  113    HA   CYS  17           HA       CYS  17  -9.872  -2.650   1.481
  114   1HB   CYS  17           HB2      CYS  17 -11.779  -0.652   1.317
  115   2HB   CYS  17           HB1      CYS  17 -10.266   0.252   1.362
  116    HG   CYS  17           HG       CYS  17  -9.643  -1.732  -0.604
  117    HA   PRO  18           HA       PRO  18  -7.102   0.699   3.599
  118   1HB   PRO  18           HB2      PRO  18  -8.236   1.603   6.025
  119   2HB   PRO  18           HB1      PRO  18  -8.129   2.497   4.505
  120   1HG   PRO  18           HG2      PRO  18 -10.479   1.407   5.782
  121   2HG   PRO  18           HG1      PRO  18 -10.375   2.389   4.319
  122   1HD   PRO  18           HD2      PRO  18 -10.912  -0.450   4.532
  123   2HD   PRO  18           HD1      PRO  18 -10.879   0.560   3.068
  124    H    ILE  19           HN       ILE  19  -8.734  -1.829   5.314
  125    HA   ILE  19           HA       ILE  19  -6.696  -1.945   7.470
  126    HB   ILE  19           HB       ILE  19  -9.243  -3.412   6.759
  127   1HG1  ILE  19          HG12      ILE  19  -9.498  -1.245   7.858
  128   2HG1  ILE  19          HG11      ILE  19  -9.923  -2.526   8.993
  129   1HG2  ILE  19          HG21      ILE  19  -7.565  -5.037   7.643
  130   2HG2  ILE  19          HG23      ILE  19  -7.390  -4.029   9.080
  131   3HG2  ILE  19          HG22      ILE  19  -8.932  -4.811   8.734
  132   1HD1  ILE  19          HD13      ILE  19  -7.184  -2.218   9.359
  133   2HD1  ILE  19          HD12      ILE  19  -7.760  -0.566   9.138
  134   3HD1  ILE  19          HD11      ILE  19  -8.444  -1.576  10.412
  135    H    THR  20           HN       THR  20  -7.837  -3.792   4.702
  136    HA   THR  20           HA       THR  20  -5.956  -5.966   4.957
  137    HB   THR  20           HB       THR  20  -7.973  -4.871   3.034
  138    HG1  THR  20           HG1      THR  20  -8.120  -6.499   4.924
  139   1HG2  THR  20          HG23      THR  20  -5.986  -7.055   2.396
  140   2HG2  THR  20          HG22      THR  20  -7.451  -6.737   1.468
  141   3HG2  THR  20          HG21      THR  20  -6.177  -5.520   1.551
  142    H    VAL  21           HN       VAL  21  -6.144  -2.957   3.046
  143    HA   VAL  21           HA       VAL  21  -3.765  -3.466   1.528
  144    HB   VAL  21           HB       VAL  21  -5.221  -0.916   2.291
  145   1HG1  VAL  21          HG12      VAL  21  -2.973  -1.519   0.399
  146   2HG1  VAL  21          HG11      VAL  21  -4.135  -0.262  -0.023
  147   3HG1  VAL  21          HG13      VAL  21  -3.192  -0.131   1.461
  148   1HG2  VAL  21          HG23      VAL  21  -6.541  -2.702   1.078
  149   2HG2  VAL  21          HG22      VAL  21  -6.398  -1.182   0.195
  150   3HG2  VAL  21          HG21      VAL  21  -5.394  -2.560  -0.250
  151    H    LYS  22           HN       LYS  22  -4.442  -1.442   4.384
  152    HA   LYS  22           HA       LYS  22  -1.918  -0.383   4.912
  153   1HB   LYS  22           HB2      LYS  22  -3.900   0.128   6.214
  154   2HB   LYS  22           HB1      LYS  22  -4.008  -1.540   6.780
  155   1HG   LYS  22           HG2      LYS  22  -2.087  -1.330   8.136
  156   2HG   LYS  22           HG1      LYS  22  -1.542   0.120   7.290
  157   1HD   LYS  22           HD2      LYS  22  -3.107   1.490   8.352
  158   2HD   LYS  22           HD1      LYS  22  -4.183   0.142   8.722
  159   1HE   LYS  22           HE2      LYS  22  -1.777  -0.492  10.032
  160   2HE   LYS  22           HE1      LYS  22  -2.034   1.237  10.339
  161   1HZ   LYS  22           HZ2      LYS  22  -4.506   0.396  10.597
  162   2HZ   LYS  22           HZ1      LYS  22  -3.724  -1.044  11.045
  163   3HZ   LYS  22           HZ3      LYS  22  -3.425   0.385  11.907
  164    H    LYS  23           HN       LYS  23  -3.114  -3.569   6.082
  165    HA   LYS  23           HA       LYS  23  -0.546  -4.306   7.188
  166   1HB   LYS  23           HB2      LYS  23  -1.658  -6.376   7.672
  167   2HB   LYS  23           HB1      LYS  23  -2.875  -5.109   7.831
  168   1HG   LYS  23           HG2      LYS  23  -4.130  -6.215   6.323
  169   2HG   LYS  23           HG1      LYS  23  -2.904  -5.845   5.111
  170   1HD   LYS  23           HD2      LYS  23  -2.362  -8.023   4.989
  171   2HD   LYS  23           HD1      LYS  23  -1.939  -8.015   6.701
  172   1HE   LYS  23           HE2      LYS  23  -4.331  -8.412   7.278
  173   2HE   LYS  23           HE1      LYS  23  -4.711  -8.497   5.546
  174   1HZ   LYS  23           HZ3      LYS  23  -2.441 -10.080   6.427
  175   2HZ   LYS  23           HZ2      LYS  23  -3.956 -10.617   6.978
  176   3HZ   LYS  23           HZ1      LYS  23  -3.661 -10.463   5.312
  177    H    ALA  24           HN       ALA  24  -1.900  -4.541   4.005
  178    HA   ALA  24           HA       ALA  24  -0.377  -6.750   3.028
  179   1HB   ALA  24           HB3      ALA  24  -2.404  -5.103   2.162
  180   2HB   ALA  24           HB2      ALA  24  -1.058  -4.605   1.139
  181   3HB   ALA  24           HB1      ALA  24  -1.577  -6.290   1.154
  182    H    LEU  25           HN       LEU  25   0.092  -3.239   2.598
  183    HA   LEU  25           HA       LEU  25   2.687  -3.500   1.360
  184   1HB   LEU  25           HB2      LEU  25   1.308  -1.202   2.780
  185   2HB   LEU  25           HB1      LEU  25   2.656  -1.052   1.649
  186    HG   LEU  25           HG       LEU  25   0.926  -2.563   0.187
  187   1HD1  LEU  25          HD12      LEU  25  -0.616  -1.221   2.280
  188   2HD1  LEU  25          HD11      LEU  25  -1.174  -0.847   0.648
  189   3HD1  LEU  25          HD13      LEU  25  -1.089  -2.524   1.188
  190   1HD2  LEU  25          HD21      LEU  25   1.645   0.289   0.403
  191   2HD2  LEU  25          HD23      LEU  25   1.688  -0.778  -1.000
  192   3HD2  LEU  25          HD22      LEU  25   0.167  -0.034  -0.503
  193    H    SER  26           HN       SER  26   1.542  -3.182   4.665
  194    HA   SER  26           HA       SER  26   4.137  -2.499   5.809
  195   1HB   SER  26           HB2      SER  26   2.465  -1.902   7.264
  196   2HB   SER  26           HB1      SER  26   1.368  -3.142   6.661
  197    HG   SER  26           HG       SER  26   2.287  -3.376   8.877
  198    H    LYS  27           HN       LYS  27   2.613  -5.423   4.698
  199    HA   LYS  27           HA       LYS  27   4.684  -7.020   6.137
  200   1HB   LYS  27           HB2      LYS  27   3.096  -8.855   6.010
  201   2HB   LYS  27           HB1      LYS  27   2.253  -7.438   6.637
  202   1HG   LYS  27           HG2      LYS  27   0.777  -8.233   4.991
  203   2HG   LYS  27           HG1      LYS  27   1.671  -6.974   4.141
  204   1HD   LYS  27           HD2      LYS  27   2.558  -8.447   2.701
  205   2HD   LYS  27           HD1      LYS  27   3.046  -9.526   4.008
  206   1HE   LYS  27           HE2      LYS  27   0.188  -9.645   3.790
  207   2HE   LYS  27           HE1      LYS  27   0.886  -9.894   2.177
  208   1HZ   LYS  27           HZ1      LYS  27   2.120 -11.184   4.517
  209   2HZ   LYS  27           HZ3      LYS  27   0.743 -11.885   3.818
  210   3HZ   LYS  27           HZ2      LYS  27   2.148 -11.664   2.888
  211    H    VAL  28           HN       VAL  28   4.086  -5.655   3.196
  212    HA   VAL  28           HA       VAL  28   4.364  -7.661   1.249
  213    HB   VAL  28           HB       VAL  28   3.971  -5.163   1.000
  214   1HG1  VAL  28          HG13      VAL  28   5.931  -4.485   2.399
  215   2HG1  VAL  28          HG12      VAL  28   6.999  -5.075   1.126
  216   3HG1  VAL  28          HG11      VAL  28   5.920  -3.716   0.812
  217   1HG2  VAL  28          HG23      VAL  28   6.005  -6.618  -0.703
  218   2HG2  VAL  28          HG22      VAL  28   4.274  -6.448  -0.994
  219   3HG2  VAL  28          HG21      VAL  28   5.338  -5.050  -1.154
  220    H    GLU  29           HN       GLU  29   7.031  -5.933   2.969
  221    HA   GLU  29           HA       GLU  29   8.708  -8.258   3.034
  222   1HB   GLU  29           HB2      GLU  29   8.548  -6.728   0.549
  223   2HB   GLU  29           HB1      GLU  29  10.204  -6.876   1.139
  224   1HG   GLU  29           HG2      GLU  29   9.177  -9.414   1.543
  225   2HG   GLU  29           HG1      GLU  29   8.440  -8.928   0.016
  226    H    GLY  30           HN       GLY  30  10.021  -5.194   1.911
  227   1HA   GLY  30           HA2      GLY  30  11.418  -4.917   4.506
  228   2HA   GLY  30           HA1      GLY  30  11.847  -4.084   3.015
  229    H    VAL  31           HN       VAL  31   8.534  -3.863   3.352
  230    HA   VAL  31           HA       VAL  31   8.297  -1.108   3.595
  231    HB   VAL  31           HB       VAL  31   6.446  -2.706   3.225
  232   1HG1  VAL  31          HG13      VAL  31   7.478  -4.020   5.407
  233   2HG1  VAL  31          HG12      VAL  31   6.060  -3.232   6.098
  234   3HG1  VAL  31          HG11      VAL  31   5.881  -4.320   4.722
  235   1HG2  VAL  31          HG23      VAL  31   6.309  -0.307   4.486
  236   2HG2  VAL  31          HG22      VAL  31   4.883  -1.268   4.099
  237   3HG2  VAL  31          HG21      VAL  31   5.581  -1.336   5.718
  238    H    SER  32           HN       SER  32   8.348   0.365   5.178
  239    HA   SER  32           HA       SER  32   9.258  -0.536   7.881
  240   1HB   SER  32           HB2      SER  32  10.658   0.933   6.159
  241   2HB   SER  32           HB1      SER  32   9.661   2.234   6.805
  242    HG   SER  32           HG       SER  32  11.575   1.970   8.011
  243    H    LYS  33           HN       LYS  33   6.868   1.092   6.055
  244    HA   LYS  33           HA       LYS  33   5.236   1.530   8.460
  245   1HB   LYS  33           HB2      LYS  33   6.293   3.544   8.795
  246   2HB   LYS  33           HB1      LYS  33   6.796   3.677   7.115
  247   1HG   LYS  33           HG2      LYS  33   4.560   4.372   6.448
  248   2HG   LYS  33           HG1      LYS  33   3.950   4.090   8.078
  249   1HD   LYS  33           HD2      LYS  33   5.870   5.774   8.755
  250   2HD   LYS  33           HD1      LYS  33   5.722   6.291   7.075
  251   1HE   LYS  33           HE2      LYS  33   3.127   5.953   8.437
  252   2HE   LYS  33           HE1      LYS  33   4.142   7.241   9.115
  253   1HZ   LYS  33           HZ2      LYS  33   3.572   6.860   6.222
  254   2HZ   LYS  33           HZ1      LYS  33   2.831   8.025   7.212
  255   3HZ   LYS  33           HZ3      LYS  33   4.497   8.112   6.905
  256    H    VAL  34           HN       VAL  34   3.043   2.366   7.838
  257    HA   VAL  34           HA       VAL  34   2.346   2.434   4.985
  258    HB   VAL  34           HB       VAL  34   2.707   0.006   5.651
  259   1HG1  VAL  34          HG11      VAL  34   0.272   0.638   7.346
  260   2HG1  VAL  34          HG13      VAL  34   0.830  -0.997   6.986
  261   3HG1  VAL  34          HG12      VAL  34   1.848   0.097   7.923
  262   1HG2  VAL  34          HG22      VAL  34   1.230   0.758   3.760
  263   2HG2  VAL  34          HG21      VAL  34   0.718  -0.765   4.488
  264   3HG2  VAL  34          HG23      VAL  34  -0.136   0.728   4.876
  265    H    ASP  35           HN       ASP  35   0.038   2.939   4.690
  266    HA   ASP  35           HA       ASP  35  -1.687   3.363   7.008
  267   1HB   ASP  35           HB2      ASP  35  -0.220   5.235   7.353
  268   2HB   ASP  35           HB1      ASP  35  -0.253   5.657   5.642
  269    H    VAL  36           HN       VAL  36  -3.741   4.605   6.227
  270    HA   VAL  36           HA       VAL  36  -4.171   4.259   3.289
  271    HB   VAL  36           HB       VAL  36  -6.398   3.166   4.019
  272   1HG1  VAL  36          HG13      VAL  36  -3.672   2.079   3.898
  273   2HG1  VAL  36          HG12      VAL  36  -4.793   1.057   4.798
  274   3HG1  VAL  36          HG11      VAL  36  -5.149   1.497   3.127
  275   1HG2  VAL  36          HG21      VAL  36  -5.506   3.905   6.526
  276   2HG2  VAL  36          HG23      VAL  36  -6.750   2.695   6.213
  277   3HG2  VAL  36          HG22      VAL  36  -5.078   2.195   6.463
  278    H    GLY  37           HN       GLY  37  -6.186   5.348   2.557
  279   1HA   GLY  37           HA2      GLY  37  -7.409   7.286   4.411
  280   2HA   GLY  37           HA1      GLY  37  -6.487   7.984   3.078
  281    H    PHE  38           HN       PHE  38  -9.544   6.911   3.977
  282    HA   PHE  38           HA       PHE  38 -10.482   5.823   1.470
  283   1HB   PHE  38           HB2      PHE  38 -11.440   6.415   4.111
  284   2HB   PHE  38           HB1      PHE  38 -12.582   7.075   2.939
  285    HD1  PHE  38           HD2      PHE  38 -13.316   5.531   0.992
  286    HD2  PHE  38           HD1      PHE  38 -11.425   4.102   4.574
  287    HE1  PHE  38           HE2      PHE  38 -14.163   3.246   0.529
  288    HE2  PHE  38           HE1      PHE  38 -12.275   1.818   4.112
  289    HZ   PHE  38           HZ       PHE  38 -13.657   1.392   2.098
  290    H    GLU  39           HN       GLU  39  -9.908   9.069   2.609
  291    HA   GLU  39           HA       GLU  39 -11.681  10.668   1.180
  292   1HB   GLU  39           HB2      GLU  39  -9.188  10.902   2.464
  293   2HB   GLU  39           HB1      GLU  39  -8.925  11.553   0.845
  294   1HG   GLU  39           HG2      GLU  39 -11.401  12.367   2.318
  295   2HG   GLU  39           HG1      GLU  39  -9.866  13.100   2.785
  296    H    LYS  40           HN       LYS  40  -8.720   9.115  -0.065
  297    HA   LYS  40           HA       LYS  40  -9.794   9.478  -2.838
  298   1HB   LYS  40           HB2      LYS  40  -7.095   9.946  -1.609
  299   2HB   LYS  40           HB1      LYS  40  -7.193   9.485  -3.309
  300   1HG   LYS  40           HG2      LYS  40  -8.950  11.372  -3.517
  301   2HG   LYS  40           HG1      LYS  40  -8.328  11.935  -1.965
  302   1HD   LYS  40           HD2      LYS  40  -5.998  11.812  -3.035
  303   2HD   LYS  40           HD1      LYS  40  -6.837  11.658  -4.579
  304   1HE   LYS  40           HE2      LYS  40  -8.002  13.828  -3.062
  305   2HE   LYS  40           HE1      LYS  40  -6.249  14.061  -3.214
  306   1HZ   LYS  40           HZ3      LYS  40  -7.629  13.044  -5.564
  307   2HZ   LYS  40           HZ2      LYS  40  -7.949  14.663  -5.163
  308   3HZ   LYS  40           HZ1      LYS  40  -6.353  14.156  -5.455
  309    H    ARG  41           HN       ARG  41  -9.896   7.221  -0.824
  310    HA   ARG  41           HA       ARG  41  -9.396   4.905  -0.708
  311   1HB   ARG  41           HB2      ARG  41 -10.112   5.649  -3.537
  312   2HB   ARG  41           HB1      ARG  41  -9.742   3.973  -3.148
  313   1HG   ARG  41           HG2      ARG  41 -11.997   5.686  -2.127
  314   2HG   ARG  41           HG1      ARG  41 -12.077   4.103  -2.893
  315   1HD   ARG  41           HD2      ARG  41 -11.256   4.780  -0.064
  316   2HD   ARG  41           HD1      ARG  41 -12.443   3.586  -0.622
  317    HE   ARG  41           HE       ARG  41 -10.066   2.750  -1.778
  318   1HH1  ARG  41          HH21      ARG  41 -11.156   3.501   1.411
  319   2HH1  ARG  41          HH22      ARG  41 -10.088   2.382   2.181
  320   1HH2  ARG  41          HH11      ARG  41  -8.658   1.302  -0.773
  321   2HH2  ARG  41          HH12      ARG  41  -8.672   1.144   0.949
  322    H    GLU  42           HN       GLU  42  -6.992   5.945  -0.406
  323    HA   GLU  42           HA       GLU  42  -5.287   4.356  -2.269
  324   1HB   GLU  42           HB2      GLU  42  -3.737   6.377  -2.293
  325   2HB   GLU  42           HB1      GLU  42  -5.266   6.605  -3.143
  326   1HG   GLU  42           HG2      GLU  42  -6.206   7.813  -1.282
  327   2HG   GLU  42           HG1      GLU  42  -4.827   7.410  -0.258
  328    H    ALA  43           HN       ALA  43  -3.307   3.623  -1.267
  329    HA   ALA  43           HA       ALA  43  -3.245   4.066   1.703
  330   1HB   ALA  43           HB3      ALA  43  -3.447   1.726   0.100
  331   2HB   ALA  43           HB2      ALA  43  -1.830   1.711   0.805
  332   3HB   ALA  43           HB1      ALA  43  -3.247   1.805   1.850
  333    H    VAL  44           HN       VAL  44  -1.349   4.976   2.478
  334    HA   VAL  44           HA       VAL  44   0.850   5.375   0.494
  335    HB   VAL  44           HB       VAL  44  -0.302   7.322   1.563
  336   1HG1  VAL  44          HG12      VAL  44  -0.311   5.775   3.807
  337   2HG1  VAL  44          HG11      VAL  44   1.053   6.839   4.147
  338   3HG1  VAL  44          HG13      VAL  44  -0.540   7.523   3.820
  339   1HG2  VAL  44          HG23      VAL  44   2.283   7.104   0.974
  340   2HG2  VAL  44          HG22      VAL  44   1.665   8.539   1.792
  341   3HG2  VAL  44          HG21      VAL  44   2.463   7.270   2.721
  342    H    VAL  45           HN       VAL  45   2.755   4.347   0.819
  343    HA   VAL  45           HA       VAL  45   3.271   3.153   3.517
  344    HB   VAL  45           HB       VAL  45   2.356   1.680   1.622
  345   1HG1  VAL  45          HG13      VAL  45   3.849   2.723  -0.118
  346   2HG1  VAL  45          HG12      VAL  45   5.212   1.909   0.651
  347   3HG1  VAL  45          HG11      VAL  45   3.913   0.961  -0.074
  348   1HG2  VAL  45          HG22      VAL  45   4.789   1.189   3.291
  349   2HG2  VAL  45          HG21      VAL  45   3.202   0.424   3.378
  350   3HG2  VAL  45          HG23      VAL  45   4.336  -0.037   2.108
  351    H    THR  46           HN       THR  46   5.357   3.182   4.218
  352    HA   THR  46           HA       THR  46   7.423   4.524   2.507
  353    HB   THR  46           HB       THR  46   6.752   4.403   5.441
  354    HG1  THR  46           HG1      THR  46   6.441   6.433   5.077
  355   1HG2  THR  46          HG22      THR  46   9.467   4.430   4.261
  356   2HG2  THR  46          HG21      THR  46   9.163   5.647   5.502
  357   3HG2  THR  46          HG23      THR  46   8.942   3.936   5.871
  358    H    PHE  47           HN       PHE  47   9.626   3.419   2.665
  359    HA   PHE  47           HA       PHE  47   9.771   0.871   4.048
  360   1HB   PHE  47           HB2      PHE  47   9.630  -0.548   2.044
  361   2HB   PHE  47           HB1      PHE  47   8.144   0.380   2.252
  362    HD1  PHE  47           HD2      PHE  47  11.392   0.286   0.392
  363    HD2  PHE  47           HD1      PHE  47   7.440   1.971   0.638
  364    HE1  PHE  47           HE2      PHE  47  11.691   1.308  -1.836
  365    HE2  PHE  47           HE1      PHE  47   7.742   2.992  -1.600
  366    HZ   PHE  47           HZ       PHE  47   9.860   2.661  -2.837
  367    H    ASP  48           HN       ASP  48  11.560  -0.521   2.888
  368    HA   ASP  48           HA       ASP  48  13.860   1.323   2.413
  369   1HB   ASP  48           HB2      ASP  48  13.727  -1.585   3.293
  370   2HB   ASP  48           HB1      ASP  48  15.194  -0.609   3.203
  371    H    ASP  49           HN       ASP  49  14.220   1.507   0.245
  372    HA   ASP  49           HA       ASP  49  13.139  -0.184  -1.754
  373   1HB   ASP  49           HB2      ASP  49  13.868   2.051  -2.223
  374   2HB   ASP  49           HB1      ASP  49  15.505   1.699  -1.668
  375    H    THR  50           HN       THR  50  15.744  -0.817   0.356
  376    HA   THR  50           HA       THR  50  17.443  -2.395  -1.355
  377    HB   THR  50           HB       THR  50  17.953  -1.369   0.903
  378    HG1  THR  50           HG1      THR  50  19.224  -3.054  -0.041
  379   1HG2  THR  50          HG23      THR  50  15.722  -2.318   1.833
  380   2HG2  THR  50          HG22      THR  50  16.629  -3.814   2.060
  381   3HG2  THR  50          HG21      THR  50  17.138  -2.341   2.885
  382    H    LYS  51           HN       LYS  51  14.427  -3.098   0.322
  383    HA   LYS  51           HA       LYS  51  14.663  -5.931  -0.618
  384   1HB   LYS  51           HB2      LYS  51  14.348  -4.794   2.017
  385   2HB   LYS  51           HB1      LYS  51  12.965  -5.821   1.633
  386   1HG   LYS  51           HG2      LYS  51  14.287  -7.727   1.357
  387   2HG   LYS  51           HG1      LYS  51  15.750  -6.789   1.049
  388   1HD   LYS  51           HD2      LYS  51  16.249  -7.222   3.221
  389   2HD   LYS  51           HD1      LYS  51  15.067  -5.962   3.582
  390   1HE   LYS  51           HE2      LYS  51  13.277  -7.697   3.684
  391   2HE   LYS  51           HE1      LYS  51  14.510  -8.946   3.420
  392   1HZ   LYS  51           HZ2      LYS  51  15.077  -6.957   5.472
  393   2HZ   LYS  51           HZ1      LYS  51  13.861  -8.085   5.840
  394   3HZ   LYS  51           HZ3      LYS  51  15.422  -8.620   5.450
  395    H    ALA  52           HN       ALA  52  12.805  -3.067  -0.645
  396    HA   ALA  52           HA       ALA  52  10.630  -4.491  -2.085
  397   1HB   ALA  52           HB1      ALA  52  10.420  -3.969   0.581
  398   2HB   ALA  52           HB3      ALA  52   9.746  -2.486  -0.091
  399   3HB   ALA  52           HB2      ALA  52   9.034  -4.045  -0.507
  400    H    SER  53           HN       SER  53   8.885  -2.458  -2.489
  401    HA   SER  53           HA       SER  53   9.850   0.152  -2.981
  402   1HB   SER  53           HB2      SER  53  10.875  -1.945  -4.729
  403   2HB   SER  53           HB1      SER  53  10.047  -0.688  -5.644
  404    HG   SER  53           HG       SER  53  11.374   0.724  -4.082
  405    H    VAL  54           HN       VAL  54   8.493   1.232  -4.807
  406    HA   VAL  54           HA       VAL  54   5.777   1.050  -4.440
  407    HB   VAL  54           HB       VAL  54   6.706   2.764  -5.820
  408   1HG1  VAL  54          HG11      VAL  54   7.674   0.492  -7.579
  409   2HG1  VAL  54          HG13      VAL  54   7.793   2.197  -8.008
  410   3HG1  VAL  54          HG12      VAL  54   8.678   1.575  -6.616
  411   1HG2  VAL  54          HG23      VAL  54   4.481   1.389  -6.580
  412   2HG2  VAL  54          HG22      VAL  54   5.054   2.841  -7.400
  413   3HG2  VAL  54          HG21      VAL  54   5.455   1.251  -8.043
  414    H    GLN  55           HN       GLN  55   7.729  -1.045  -6.536
  415    HA   GLN  55           HA       GLN  55   5.672  -2.381  -7.937
  416   1HB   GLN  55           HB2      GLN  55   8.312  -2.465  -7.973
  417   2HB   GLN  55           HB1      GLN  55   8.082  -3.822  -6.869
  418   1HG   GLN  55           HG2      GLN  55   8.029  -4.914  -8.923
  419   2HG   GLN  55           HG1      GLN  55   6.314  -4.593  -8.666
  420   1HE2  GLN  55          HE22      GLN  55   7.567  -3.334 -12.070
  421   2HE2  GLN  55          HE21      GLN  55   7.877  -4.796 -11.264
  422    H    LYS  56           HN       LYS  56   7.188  -3.283  -4.823
  423    HA   LYS  56           HA       LYS  56   5.319  -5.472  -4.391
  424   1HB   LYS  56           HB2      LYS  56   7.172  -4.134  -2.406
  425   2HB   LYS  56           HB1      LYS  56   6.625  -5.811  -2.411
  426   1HG   LYS  56           HG2      LYS  56   8.532  -4.481  -4.344
  427   2HG   LYS  56           HG1      LYS  56   8.848  -5.854  -3.283
  428   1HD   LYS  56           HD2      LYS  56   6.788  -6.882  -4.661
  429   2HD   LYS  56           HD1      LYS  56   7.395  -5.765  -5.884
  430   1HE   LYS  56           HE2      LYS  56   9.448  -6.867  -6.068
  431   2HE   LYS  56           HE1      LYS  56   9.335  -7.557  -4.436
  432   1HZ   LYS  56           HZ2      LYS  56   7.190  -8.237  -6.279
  433   2HZ   LYS  56           HZ1      LYS  56   8.703  -8.927  -6.625
  434   3HZ   LYS  56           HZ3      LYS  56   7.971  -9.203  -5.120
  435    H    LEU  57           HN       LEU  57   5.235  -2.039  -3.672
  436    HA   LEU  57           HA       LEU  57   3.427  -2.289  -1.393
  437   1HB   LEU  57           HB2      LEU  57   3.826   0.024  -3.313
  438   2HB   LEU  57           HB1      LEU  57   3.225   0.113  -1.659
  439    HG   LEU  57           HG       LEU  57   6.008  -0.780  -2.462
  440   1HD1  LEU  57          HD11      LEU  57   4.763   1.815  -1.914
  441   2HD1  LEU  57          HD13      LEU  57   6.172   1.499  -0.902
  442   3HD1  LEU  57          HD12      LEU  57   6.320   1.453  -2.659
  443   1HD2  LEU  57          HD23      LEU  57   4.479  -1.140  -0.048
  444   2HD2  LEU  57          HD22      LEU  57   6.148  -1.613  -0.365
  445   3HD2  LEU  57          HD21      LEU  57   5.792  -0.009   0.276
  446    H    THR  58           HN       THR  58   2.972  -1.137  -4.754
  447    HA   THR  58           HA       THR  58   0.129  -1.176  -4.740
  448    HB   THR  58           HB       THR  58   2.223  -1.541  -6.905
  449    HG1  THR  58           HG1      THR  58   1.731   0.484  -5.543
  450   1HG2  THR  58          HG22      THR  58  -0.642  -1.911  -7.026
  451   2HG2  THR  58          HG21      THR  58  -0.155  -0.540  -8.023
  452   3HG2  THR  58          HG23      THR  58   0.561  -2.128  -8.298
  453    H    LYS  59           HN       LYS  59   2.518  -3.739  -5.207
  454    HA   LYS  59           HA       LYS  59   0.571  -5.676  -6.144
  455   1HB   LYS  59           HB2      LYS  59   2.865  -5.816  -6.884
  456   2HB   LYS  59           HB1      LYS  59   3.451  -5.792  -5.221
  457   1HG   LYS  59           HG2      LYS  59   3.472  -8.056  -5.415
  458   2HG   LYS  59           HG1      LYS  59   1.730  -7.931  -5.171
  459   1HD   LYS  59           HD2      LYS  59   2.479  -7.415  -7.943
  460   2HD   LYS  59           HD1      LYS  59   2.995  -9.015  -7.407
  461   1HE   LYS  59           HE2      LYS  59   0.734  -9.584  -6.716
  462   2HE   LYS  59           HE1      LYS  59   0.178  -7.930  -7.046
  463   1HZ   LYS  59           HZ2      LYS  59   1.127  -8.299  -9.357
  464   2HZ   LYS  59           HZ1      LYS  59   1.154  -9.954  -8.973
  465   3HZ   LYS  59           HZ3      LYS  59  -0.319  -9.112  -8.990
  466    H    ALA  60           HN       ALA  60   1.813  -4.573  -3.091
  467    HA   ALA  60           HA       ALA  60   1.110  -6.897  -1.544
  468   1HB   ALA  60           HB3      ALA  60   1.663  -3.986  -0.917
  469   2HB   ALA  60           HB2      ALA  60   1.392  -5.198   0.335
  470   3HB   ALA  60           HB1      ALA  60   2.775  -5.344  -0.747
  471    H    THR  61           HN       THR  61  -0.429  -3.730  -2.123
  472    HA   THR  61           HA       THR  61  -2.837  -4.370  -0.642
  473    HB   THR  61           HB       THR  61  -2.010  -2.066  -1.092
  474    HG1  THR  61           HG1      THR  61  -4.509  -2.959  -1.897
  475   1HG2  THR  61          HG21      THR  61  -2.633  -2.780  -3.970
  476   2HG2  THR  61          HG23      THR  61  -2.244  -1.159  -3.398
  477   3HG2  THR  61          HG22      THR  61  -1.038  -2.441  -3.299
  478    H    ALA  62           HN       ALA  62  -1.708  -4.558  -3.917
  479    HA   ALA  62           HA       ALA  62  -4.155  -5.303  -5.211
  480   1HB   ALA  62           HB1      ALA  62  -1.236  -5.891  -5.797
  481   2HB   ALA  62           HB3      ALA  62  -2.546  -6.157  -6.947
  482   3HB   ALA  62           HB2      ALA  62  -2.167  -4.522  -6.404
  483    H    ASP  63           HN       ASP  63  -1.742  -7.047  -3.349
  484    HA   ASP  63           HA       ASP  63  -2.918  -9.683  -4.004
  485   1HB   ASP  63           HB2      ASP  63  -0.514  -9.535  -3.816
  486   2HB   ASP  63           HB1      ASP  63  -0.633  -8.692  -2.271
  487    H    ALA  64           HN       ALA  64  -3.398  -7.125  -1.808
  488    HA   ALA  64           HA       ALA  64  -4.274  -8.690   0.493
  489   1HB   ALA  64           HB1      ALA  64  -3.462  -6.134   0.068
  490   2HB   ALA  64           HB3      ALA  64  -5.208  -5.900   0.005
  491   3HB   ALA  64           HB2      ALA  64  -4.461  -6.592   1.445
  492    H    GLY  65           HN       GLY  65  -5.647  -7.375  -2.441
  493   1HA   GLY  65           HA2      GLY  65  -7.710  -8.856  -3.057
  494   2HA   GLY  65           HA1      GLY  65  -8.362  -8.215  -1.555
  495    H    TYR  66           HN       TYR  66  -6.399  -6.096  -3.543
  496    HA   TYR  66           HA       TYR  66  -8.847  -4.882  -4.731
  497   1HB   TYR  66           HB2      TYR  66  -6.796  -3.385  -3.080
  498   2HB   TYR  66           HB1      TYR  66  -8.283  -2.729  -3.758
  499    HD1  TYR  66           HD1      TYR  66 -10.463  -4.104  -3.082
  500    HD2  TYR  66           HD2      TYR  66  -6.776  -3.996  -0.913
  501    HE1  TYR  66           HE1      TYR  66 -11.669  -4.728  -1.021
  502    HE2  TYR  66           HE2      TYR  66  -7.964  -4.610   1.156
  503    HH   TYR  66           HH       TYR  66 -11.357  -5.554   1.121
  504    HA   PRO  67           HA       PRO  67  -5.652  -4.808  -7.984
  505   1HB   PRO  67           HB2      PRO  67  -7.670  -3.440  -9.564
  506   2HB   PRO  67           HB1      PRO  67  -7.030  -5.072  -9.788
  507   1HG   PRO  67           HG2      PRO  67  -9.616  -4.334  -8.805
  508   2HG   PRO  67           HG1      PRO  67  -8.950  -5.961  -8.980
  509   1HD   PRO  67           HD2      PRO  67  -9.466  -4.532  -6.534
  510   2HD   PRO  67           HD1      PRO  67  -8.734  -6.146  -6.714
  511    H    SER  68           HN       SER  68  -4.344  -3.175  -7.022
  512    HA   SER  68           HA       SER  68  -5.441  -0.403  -7.031
  513   1HB   SER  68           HB2      SER  68  -4.695  -0.611  -4.906
  514   2HB   SER  68           HB1      SER  68  -3.805  -2.078  -5.298
  515    HG   SER  68           HG       SER  68  -2.969   0.551  -5.182
  516    H    SER  69           HN       SER  69  -3.298   1.140  -6.968
  517    HA   SER  69           HA       SER  69  -1.419   0.503  -9.168
  518   1HB   SER  69           HB2      SER  69  -3.495   2.706  -9.075
  519   2HB   SER  69           HB1      SER  69  -2.062   2.828 -10.093
  520    HG   SER  69           HG       SER  69  -3.584   1.881 -11.349
  521    H    VAL  70           HN       VAL  70  -0.316   3.094  -9.287
  522    HA   VAL  70           HA       VAL  70   0.292   3.714  -6.451
  523    HB   VAL  70           HB       VAL  70   1.763   2.017  -7.669
  524   1HG1  VAL  70          HG13      VAL  70   1.813   3.944  -9.624
  525   2HG1  VAL  70          HG12      VAL  70   3.339   4.248  -8.794
  526   3HG1  VAL  70          HG11      VAL  70   3.006   2.654  -9.470
  527   1HG2  VAL  70          HG22      VAL  70   2.329   4.110  -5.823
  528   2HG2  VAL  70          HG21      VAL  70   3.159   2.563  -5.980
  529   3HG2  VAL  70          HG23      VAL  70   3.723   3.966  -6.886
  530    H    LYS  71           HN       LYS  71   1.360   5.821  -6.149
  531    HA   LYS  71           HA       LYS  71   0.850   7.650  -8.475
  532   1HB   LYS  71           HB2      LYS  71   0.666   8.534  -5.615
  533   2HB   LYS  71           HB1      LYS  71  -0.167   9.185  -7.023
  534   1HG   LYS  71           HG2      LYS  71  -1.034   6.546  -6.916
  535   2HG   LYS  71           HG1      LYS  71  -0.982   7.039  -5.222
  536   1HD   LYS  71           HD2      LYS  71  -2.173   9.190  -6.039
  537   2HD   LYS  71           HD1      LYS  71  -2.537   8.258  -7.491
  538   1HE   LYS  71           HE2      LYS  71  -3.256   6.461  -5.562
  539   2HE   LYS  71           HE1      LYS  71  -3.663   7.992  -4.763
  540   1HZ   LYS  71           HZ3      LYS  71  -4.328   7.743  -7.595
  541   2HZ   LYS  71           HZ2      LYS  71  -5.284   6.857  -6.506
  542   3HZ   LYS  71           HZ1      LYS  71  -5.163   8.545  -6.355
  543    H    GLN  72           HN       GLN  72   3.211   6.233  -7.275
  544    HA   GLN  72           HA       GLN  72   5.208   8.190  -7.867
  545   1HB   GLN  72           HB2      GLN  72   4.660   9.368  -5.920
  546   2HB   GLN  72           HB1      GLN  72   4.273   7.901  -5.023
  547   1HG   GLN  72           HG2      GLN  72   6.444   7.524  -4.437
  548   2HG   GLN  72           HG1      GLN  72   7.067   8.122  -5.975
  549   1HE2  GLN  72          HE22      GLN  72   7.753  11.330  -4.701
  550   2HE2  GLN  72          HE21      GLN  72   7.943  10.211  -5.964
   
  No H/Q in entry =         550
  Start of MODEL    3
    1   1H    ALA   1           HT3      ALA   1  17.950   1.269   2.369
    2   2H    ALA   1           HT2      ALA   1  17.723   0.042   1.215
    3   3H    ALA   1           HT1      ALA   1  18.840   1.290   0.926
    4    HA   ALA   1           HA       ALA   1  17.205   2.859   0.489
    5   1HB   ALA   1           HB1      ALA   1  17.423   0.625  -0.952
    6   2HB   ALA   1           HB3      ALA   1  15.753   0.406  -0.427
    7   3HB   ALA   1           HB2      ALA   1  16.208   1.843  -1.343
    8    H    THR   2           HN       THR   2  15.407   3.859   1.339
    9    HA   THR   2           HA       THR   2  13.314   2.310   2.682
   10    HB   THR   2           HB       THR   2  14.599   2.787   4.549
   11    HG1  THR   2           HG1      THR   2  13.427   5.296   4.542
   12   1HG2  THR   2          HG21      THR   2  15.351   5.367   3.163
   13   2HG2  THR   2          HG23      THR   2  15.783   5.015   4.836
   14   3HG2  THR   2          HG22      THR   2  16.407   4.004   3.533
   15    H    GLN   3           HN       GLN   3  12.021   2.946   0.975
   16    HA   GLN   3           HA       GLN   3  11.671   5.889   0.536
   17   1HB   GLN   3           HB2      GLN   3  11.805   3.531  -1.101
   18   2HB   GLN   3           HB1      GLN   3  10.260   4.338  -1.372
   19   1HG   GLN   3           HG2      GLN   3  11.319   5.854  -2.652
   20   2HG   GLN   3           HG1      GLN   3  12.216   6.381  -1.226
   21   1HE2  GLN   3          HE22      GLN   3  15.118   4.391  -2.037
   22   2HE2  GLN   3          HE21      GLN   3  14.233   4.983  -0.715
   23    H    THR   4           HN       THR   4   9.595   6.812   0.478
   24    HA   THR   4           HA       THR   4   7.398   5.190   1.721
   25    HB   THR   4           HB       THR   4   8.211   6.705   3.371
   26    HG1  THR   4           HG1      THR   4   5.863   6.922   2.506
   27   1HG2  THR   4          HG22      THR   4   8.698   8.418   0.999
   28   2HG2  THR   4          HG21      THR   4   8.249   9.263   2.481
   29   3HG2  THR   4          HG23      THR   4   9.667   8.213   2.459
   30    H    VAL   5           HN       VAL   5   5.801   4.965   0.219
   31    HA   VAL   5           HA       VAL   5   5.214   7.266  -1.638
   32    HB   VAL   5           HB       VAL   5   4.848   4.332  -2.236
   33   1HG1  VAL   5          HG13      VAL   5   5.055   6.854  -3.884
   34   2HG1  VAL   5          HG12      VAL   5   5.064   5.237  -4.581
   35   3HG1  VAL   5          HG11      VAL   5   3.647   5.811  -3.702
   36   1HG2  VAL   5          HG21      VAL   5   7.321   5.245  -1.682
   37   2HG2  VAL   5          HG23      VAL   5   7.022   4.103  -2.990
   38   3HG2  VAL   5          HG22      VAL   5   7.190   5.822  -3.341
   39    H    THR   6           HN       THR   6   2.949   7.124  -2.463
   40    HA   THR   6           HA       THR   6   1.094   6.197  -0.322
   41    HB   THR   6           HB       THR   6  -0.342   7.909  -1.776
   42    HG1  THR   6           HG1      THR   6   2.126   9.123  -2.122
   43   1HG2  THR   6          HG22      THR   6   1.439   8.152   0.493
   44   2HG2  THR   6          HG21      THR   6   1.330   9.674  -0.391
   45   3HG2  THR   6          HG23      THR   6  -0.133   8.908   0.228
   46    H    LEU   7           HN       LEU   7  -0.977   5.238  -1.212
   47    HA   LEU   7           HA       LEU   7  -0.592   4.175  -3.978
   48   1HB   LEU   7           HB2      LEU   7  -0.587   2.830  -1.401
   49   2HB   LEU   7           HB1      LEU   7  -1.853   2.185  -2.448
   50    HG   LEU   7           HG       LEU   7  -0.287   1.699  -4.183
   51   1HD1  LEU   7          HD12      LEU   7   1.523   3.451  -2.582
   52   2HD1  LEU   7          HD11      LEU   7   2.212   2.217  -3.637
   53   3HD1  LEU   7          HD13      LEU   7   1.186   3.477  -4.307
   54   1HD2  LEU   7          HD21      LEU   7  -0.279   0.250  -2.015
   55   2HD2  LEU   7          HD23      LEU   7   1.030   0.022  -3.175
   56   3HD2  LEU   7          HD22      LEU   7   1.297   0.987  -1.725
   57    H    ALA   8           HN       ALA   8  -2.557   3.599  -5.033
   58    HA   ALA   8           HA       ALA   8  -4.965   5.004  -3.924
   59   1HB   ALA   8           HB1      ALA   8  -3.890   4.423  -6.685
   60   2HB   ALA   8           HB3      ALA   8  -5.581   4.868  -6.453
   61   3HB   ALA   8           HB2      ALA   8  -4.302   5.983  -5.974
   62    H    VAL   9           HN       VAL   9  -6.292   3.492  -2.959
   63    HA   VAL   9           HA       VAL   9  -6.761   0.913  -4.425
   64    HB   VAL   9           HB       VAL   9  -5.542   0.419  -2.434
   65   1HG1  VAL   9          HG11      VAL   9  -7.365   2.425  -1.069
   66   2HG1  VAL   9          HG13      VAL   9  -6.196   1.410  -0.224
   67   3HG1  VAL   9          HG12      VAL   9  -5.640   2.616  -1.385
   68   1HG2  VAL   9          HG21      VAL   9  -8.291  -0.283  -2.633
   69   2HG2  VAL   9          HG23      VAL   9  -7.010  -1.166  -1.804
   70   3HG2  VAL   9          HG22      VAL   9  -7.959   0.034  -0.930
   71    HA   PRO  10           HA       PRO  10 -10.773   3.162  -4.035
   72   1HB   PRO  10           HB2      PRO  10 -11.502   2.474  -6.643
   73   2HB   PRO  10           HB1      PRO  10 -10.727   3.986  -6.159
   74   1HG   PRO  10           HG2      PRO  10  -9.607   1.766  -7.685
   75   2HG   PRO  10           HG1      PRO  10  -8.942   3.383  -7.427
   76   1HD   PRO  10           HD2      PRO  10  -8.121   0.907  -6.178
   77   2HD   PRO  10           HD1      PRO  10  -7.447   2.537  -5.925
   78    H    GLY  11           HN       GLY  11 -10.477   0.630  -2.854
   79   1HA   GLY  11           HA2      GLY  11 -12.427  -1.144  -4.217
   80   2HA   GLY  11           HA1      GLY  11 -11.394  -1.603  -2.864
   81    H    MET  12           HN       MET  12 -11.965   0.774  -1.305
   82    HA   MET  12           HA       MET  12 -13.529   1.620   0.221
   83   1HB   MET  12           HB2      MET  12 -15.572   0.318  -1.608
   84   2HB   MET  12           HB1      MET  12 -15.835   1.657  -0.498
   85   1HG   MET  12           HG2      MET  12 -14.864   3.186  -1.890
   86   2HG   MET  12           HG1      MET  12 -13.684   2.034  -2.512
   87   1HE   MET  12           HE1      MET  12 -16.323   4.053  -2.798
   88   2HE   MET  12           HE3      MET  12 -16.735   3.947  -4.515
   89   3HE   MET  12           HE2      MET  12 -17.756   3.165  -3.311
   90    H    THR  13           HN       THR  13 -15.384  -1.264  -0.737
   91    HA   THR  13           HA       THR  13 -16.131  -3.064   0.587
   92    HB   THR  13           HB       THR  13 -14.051  -3.737   2.195
   93    HG1  THR  13           HG1      THR  13 -12.885  -2.277   0.073
   94   1HG2  THR  13          HG21      THR  13 -14.282  -4.041  -0.805
   95   2HG2  THR  13          HG23      THR  13 -13.126  -4.940   0.180
   96   3HG2  THR  13          HG22      THR  13 -14.858  -5.158   0.434
   97    H    CYS  14           HN       CYS  14 -16.044  -0.098   1.688
   98    HA   CYS  14           HA       CYS  14 -16.701   0.987   3.664
   99   1HB   CYS  14           HB2      CYS  14 -18.391  -1.001   3.014
  100   2HB   CYS  14           HB1      CYS  14 -17.885  -1.580   4.601
  101    HG   CYS  14           HG       CYS  14 -18.656   1.351   4.728
  102    H    ALA  15           HN       ALA  15 -15.000   1.424   5.028
  103    HA   ALA  15           HA       ALA  15 -13.336   1.084   6.685
  104   1HB   ALA  15           HB1      ALA  15 -15.899  -0.235   7.484
  105   2HB   ALA  15           HB3      ALA  15 -14.497  -0.448   8.533
  106   3HB   ALA  15           HB2      ALA  15 -15.101   1.172   8.186
  107    H    ALA  16           HN       ALA  16 -13.098  -0.770   4.427
  108    HA   ALA  16           HA       ALA  16 -11.743  -3.014   5.867
  109   1HB   ALA  16           HB1      ALA  16 -13.992  -3.062   3.946
  110   2HB   ALA  16           HB3      ALA  16 -12.709  -4.224   3.616
  111   3HB   ALA  16           HB2      ALA  16 -13.540  -4.245   5.172
  112    H    CYS  17           HN       CYS  17 -12.138  -1.159   2.861
  113    HA   CYS  17           HA       CYS  17 -10.039  -2.191   1.317
  114   1HB   CYS  17           HB2      CYS  17 -11.171  -0.626   0.125
  115   2HB   CYS  17           HB1      CYS  17 -11.640   0.256   1.570
  116    HG   CYS  17           HG       CYS  17  -9.889   1.561  -0.130
  117    HA   PRO  18           HA       PRO  18  -6.993   0.854   3.477
  118   1HB   PRO  18           HB2      PRO  18  -7.991   1.850   5.913
  119   2HB   PRO  18           HB1      PRO  18  -7.899   2.722   4.379
  120   1HG   PRO  18           HG2      PRO  18 -10.254   1.719   5.759
  121   2HG   PRO  18           HG1      PRO  18 -10.160   2.783   4.353
  122   1HD   PRO  18           HD2      PRO  18 -10.887  -0.004   4.407
  123   2HD   PRO  18           HD1      PRO  18 -10.763   1.065   2.989
  124    H    ILE  19           HN       ILE  19  -8.812  -1.573   5.154
  125    HA   ILE  19           HA       ILE  19  -6.783  -1.890   7.295
  126    HB   ILE  19           HB       ILE  19  -9.385  -3.265   6.563
  127   1HG1  ILE  19          HG12      ILE  19  -9.686  -1.028   7.461
  128   2HG1  ILE  19          HG11      ILE  19 -10.107  -2.188   8.722
  129   1HG2  ILE  19          HG21      ILE  19  -7.375  -3.822   8.744
  130   2HG2  ILE  19          HG23      ILE  19  -9.077  -4.241   8.935
  131   3HG2  ILE  19          HG22      ILE  19  -8.132  -4.964   7.633
  132   1HD1  ILE  19          HD12      ILE  19  -7.634  -1.965   9.466
  133   2HD1  ILE  19          HD11      ILE  19  -7.615  -0.508   8.474
  134   3HD1  ILE  19          HD13      ILE  19  -8.725  -0.631   9.839
  135    H    THR  20           HN       THR  20  -8.115  -3.700   4.560
  136    HA   THR  20           HA       THR  20  -6.329  -5.948   4.762
  137    HB   THR  20           HB       THR  20  -8.355  -4.761   2.922
  138    HG1  THR  20           HG1      THR  20  -7.884  -7.409   3.812
  139   1HG2  THR  20          HG23      THR  20  -6.512  -5.281   1.391
  140   2HG2  THR  20          HG22      THR  20  -6.433  -6.921   2.037
  141   3HG2  THR  20          HG21      THR  20  -7.865  -6.388   1.153
  142    H    VAL  21           HN       VAL  21  -6.368  -2.873   2.998
  143    HA   VAL  21           HA       VAL  21  -4.088  -3.363   1.361
  144    HB   VAL  21           HB       VAL  21  -5.551  -0.963   2.455
  145   1HG1  VAL  21          HG11      VAL  21  -2.900  -1.071   1.136
  146   2HG1  VAL  21          HG13      VAL  21  -4.025   0.129   0.508
  147   3HG1  VAL  21          HG12      VAL  21  -3.569   0.151   2.213
  148   1HG2  VAL  21          HG22      VAL  21  -5.945  -2.697   0.293
  149   2HG2  VAL  21          HG21      VAL  21  -6.725  -1.134   0.529
  150   3HG2  VAL  21          HG23      VAL  21  -5.251  -1.246  -0.431
  151    H    LYS  22           HN       LYS  22  -4.523  -1.851   4.548
  152    HA   LYS  22           HA       LYS  22  -1.877  -1.058   5.097
  153   1HB   LYS  22           HB2      LYS  22  -3.588  -0.448   6.606
  154   2HB   LYS  22           HB1      LYS  22  -4.184  -2.102   6.736
  155   1HG   LYS  22           HG2      LYS  22  -2.670  -2.656   8.344
  156   2HG   LYS  22           HG1      LYS  22  -1.375  -1.735   7.576
  157   1HD   LYS  22           HD2      LYS  22  -1.939   0.230   8.659
  158   2HD   LYS  22           HD1      LYS  22  -3.638  -0.220   8.813
  159   1HE   LYS  22           HE2      LYS  22  -1.792  -2.011  10.268
  160   2HE   LYS  22           HE1      LYS  22  -1.840  -0.345  10.881
  161   1HZ   LYS  22           HZ1      LYS  22  -4.305  -0.492  10.739
  162   2HZ   LYS  22           HZ3      LYS  22  -4.152  -2.147  10.400
  163   3HZ   LYS  22           HZ2      LYS  22  -3.624  -1.534  11.895
  164    H    LYS  23           HN       LYS  23  -3.395  -4.267   5.503
  165    HA   LYS  23           HA       LYS  23  -0.964  -5.468   6.581
  166   1HB   LYS  23           HB2      LYS  23  -3.727  -6.287   5.799
  167   2HB   LYS  23           HB1      LYS  23  -2.511  -7.554   5.963
  168   1HG   LYS  23           HG2      LYS  23  -2.729  -5.496   8.128
  169   2HG   LYS  23           HG1      LYS  23  -3.938  -6.780   8.059
  170   1HD   LYS  23           HD2      LYS  23  -2.408  -8.440   8.538
  171   2HD   LYS  23           HD1      LYS  23  -1.068  -7.564   7.795
  172   1HE   LYS  23           HE2      LYS  23  -0.449  -7.011   9.913
  173   2HE   LYS  23           HE1      LYS  23  -1.851  -5.923   9.924
  174   1HZ   LYS  23           HZ1      LYS  23  -2.303  -8.783  10.378
  175   2HZ   LYS  23           HZ3      LYS  23  -1.653  -7.874  11.655
  176   3HZ   LYS  23           HZ2      LYS  23  -3.155  -7.444  10.987
  177    H    ALA  24           HN       ALA  24  -2.271  -4.975   3.406
  178    HA   ALA  24           HA       ALA  24  -0.941  -7.106   2.047
  179   1HB   ALA  24           HB3      ALA  24  -2.635  -4.863   1.507
  180   2HB   ALA  24           HB2      ALA  24  -1.289  -4.827   0.367
  181   3HB   ALA  24           HB1      ALA  24  -2.317  -6.257   0.474
  182    H    LEU  25           HN       LEU  25  -0.147  -3.644   2.375
  183    HA   LEU  25           HA       LEU  25   2.474  -3.949   1.143
  184   1HB   LEU  25           HB2      LEU  25   1.159  -1.751   2.758
  185   2HB   LEU  25           HB1      LEU  25   2.579  -1.558   1.724
  186    HG   LEU  25           HG       LEU  25   0.871  -2.767  -0.003
  187   1HD1  LEU  25          HD12      LEU  25  -0.738  -1.473   2.121
  188   2HD1  LEU  25          HD11      LEU  25  -1.217  -1.142   0.455
  189   3HD1  LEU  25          HD13      LEU  25  -1.153  -2.804   1.039
  190   1HD2  LEU  25          HD23      LEU  25   1.976  -0.182   0.459
  191   2HD2  LEU  25          HD22      LEU  25   1.435  -0.882  -1.066
  192   3HD2  LEU  25          HD21      LEU  25   0.306   0.032  -0.067
  193    H    SER  26           HN       SER  26   1.208  -3.848   4.443
  194    HA   SER  26           HA       SER  26   3.765  -3.454   5.746
  195   1HB   SER  26           HB2      SER  26   2.492  -3.904   7.723
  196   2HB   SER  26           HB1      SER  26   1.355  -3.139   6.617
  197    HG   SER  26           HG       SER  26   1.008  -5.391   7.788
  198    H    LYS  27           HN       LYS  27   2.147  -6.166   4.281
  199    HA   LYS  27           HA       LYS  27   4.229  -7.963   5.428
  200   1HB   LYS  27           HB2      LYS  27   2.453  -9.212   6.057
  201   2HB   LYS  27           HB1      LYS  27   1.360  -8.105   5.242
  202   1HG   LYS  27           HG2      LYS  27   2.863 -10.309   3.803
  203   2HG   LYS  27           HG1      LYS  27   1.234 -10.507   4.446
  204   1HD   LYS  27           HD2      LYS  27   1.197  -8.084   3.002
  205   2HD   LYS  27           HD1      LYS  27   2.061  -9.239   1.986
  206   1HE   LYS  27           HE2      LYS  27  -0.529 -10.022   3.333
  207   2HE   LYS  27           HE1      LYS  27  -0.528  -9.179   1.772
  208   1HZ   LYS  27           HZ3      LYS  27   1.014 -11.646   2.384
  209   2HZ   LYS  27           HZ2      LYS  27  -0.430 -11.597   1.489
  210   3HZ   LYS  27           HZ1      LYS  27   0.970 -10.842   0.892
  211    H    VAL  28           HN       VAL  28   3.493  -6.268   2.690
  212    HA   VAL  28           HA       VAL  28   3.618  -7.933   0.477
  213    HB   VAL  28           HB       VAL  28   3.461  -5.528   0.299
  214   1HG1  VAL  28          HG11      VAL  28   5.242  -5.392   2.318
  215   2HG1  VAL  28          HG13      VAL  28   6.323  -5.068   0.963
  216   3HG1  VAL  28          HG12      VAL  28   4.922  -4.033   1.241
  217   1HG2  VAL  28          HG23      VAL  28   4.630  -6.849  -1.538
  218   2HG2  VAL  28          HG22      VAL  28   5.001  -5.125  -1.499
  219   3HG2  VAL  28          HG21      VAL  28   6.156  -6.290  -0.854
  220    H    GLU  29           HN       GLU  29   6.525  -6.740   2.259
  221    HA   GLU  29           HA       GLU  29   7.912  -9.227   2.145
  222   1HB   GLU  29           HB2      GLU  29   7.822  -7.614  -0.295
  223   2HB   GLU  29           HB1      GLU  29   9.472  -7.983   0.207
  224   1HG   GLU  29           HG2      GLU  29   7.943 -10.353   0.564
  225   2HG   GLU  29           HG1      GLU  29   7.559  -9.722  -1.037
  226    H    GLY  30           HN       GLY  30   9.290  -6.103   1.120
  227   1HA   GLY  30           HA2      GLY  30  11.020  -6.177   3.529
  228   2HA   GLY  30           HA1      GLY  30  11.300  -5.189   2.097
  229    H    VAL  31           HN       VAL  31   8.081  -4.880   2.777
  230    HA   VAL  31           HA       VAL  31   7.994  -2.179   3.396
  231    HB   VAL  31           HB       VAL  31   6.035  -3.567   2.972
  232   1HG1  VAL  31          HG13      VAL  31   7.164  -5.400   4.583
  233   2HG1  VAL  31          HG12      VAL  31   6.064  -4.661   5.745
  234   3HG1  VAL  31          HG11      VAL  31   5.430  -5.379   4.264
  235   1HG2  VAL  31          HG22      VAL  31   6.147  -1.481   4.710
  236   2HG2  VAL  31          HG21      VAL  31   4.641  -2.290   4.281
  237   3HG2  VAL  31          HG23      VAL  31   5.482  -2.724   5.769
  238    H    SER  32           HN       SER  32   8.193  -0.936   5.145
  239    HA   SER  32           HA       SER  32   9.207  -2.193   7.665
  240   1HB   SER  32           HB2      SER  32   9.999   0.165   6.023
  241   2HB   SER  32           HB1      SER  32  10.133   0.337   7.770
  242    HG   SER  32           HG       SER  32  11.298  -1.657   6.116
  243    H    LYS  33           HN       LYS  33   6.825  -0.246   6.172
  244    HA   LYS  33           HA       LYS  33   5.323   0.008   8.669
  245   1HB   LYS  33           HB2      LYS  33   6.640   1.837   9.226
  246   2HB   LYS  33           HB1      LYS  33   6.983   2.232   7.546
  247   1HG   LYS  33           HG2      LYS  33   4.848   3.253   7.244
  248   2HG   LYS  33           HG1      LYS  33   4.230   2.572   8.749
  249   1HD   LYS  33           HD2      LYS  33   6.660   4.260   8.986
  250   2HD   LYS  33           HD1      LYS  33   5.170   5.102   8.559
  251   1HE   LYS  33           HE2      LYS  33   4.774   3.136  10.705
  252   2HE   LYS  33           HE1      LYS  33   5.915   4.424  11.141
  253   1HZ   LYS  33           HZ1      LYS  33   3.589   5.276   9.634
  254   2HZ   LYS  33           HZ3      LYS  33   3.254   4.722  11.201
  255   3HZ   LYS  33           HZ2      LYS  33   4.343   6.005  10.971
  256    H    VAL  34           HN       VAL  34   3.185   1.125   8.219
  257    HA   VAL  34           HA       VAL  34   2.518   1.565   5.371
  258    HB   VAL  34           HB       VAL  34   1.575  -0.758   7.057
  259   1HG1  VAL  34          HG11      VAL  34   0.321   0.439   4.574
  260   2HG1  VAL  34          HG13      VAL  34  -0.015  -1.199   5.132
  261   3HG1  VAL  34          HG12      VAL  34  -0.445   0.182   6.141
  262   1HG2  VAL  34          HG23      VAL  34   3.139  -0.345   4.556
  263   2HG2  VAL  34          HG22      VAL  34   3.338  -1.564   5.813
  264   3HG2  VAL  34          HG21      VAL  34   2.066  -1.744   4.604
  265    H    ASP  35           HN       ASP  35   0.238   2.339   5.138
  266    HA   ASP  35           HA       ASP  35  -1.276   2.999   7.563
  267   1HB   ASP  35           HB2      ASP  35   0.775   4.735   6.550
  268   2HB   ASP  35           HB1      ASP  35  -0.788   5.518   6.318
  269    H    VAL  36           HN       VAL  36  -3.336   4.119   6.963
  270    HA   VAL  36           HA       VAL  36  -3.954   4.069   4.043
  271    HB   VAL  36           HB       VAL  36  -6.097   2.823   4.775
  272   1HG1  VAL  36          HG13      VAL  36  -3.461   1.919   4.119
  273   2HG1  VAL  36          HG12      VAL  36  -4.164   0.788   5.275
  274   3HG1  VAL  36          HG11      VAL  36  -5.003   1.140   3.764
  275   1HG2  VAL  36          HG22      VAL  36  -4.988   3.264   7.295
  276   2HG2  VAL  36          HG21      VAL  36  -6.314   2.161   6.927
  277   3HG2  VAL  36          HG23      VAL  36  -4.657   1.560   6.980
  278    H    GLY  37           HN       GLY  37  -5.750   5.410   3.480
  279   1HA   GLY  37           HA2      GLY  37  -7.032   6.964   5.659
  280   2HA   GLY  37           HA1      GLY  37  -6.170   7.859   4.406
  281    H    PHE  38           HN       PHE  38  -9.116   6.320   5.220
  282    HA   PHE  38           HA       PHE  38 -10.142   5.707   2.618
  283   1HB   PHE  38           HB2      PHE  38 -10.939   5.599   5.304
  284   2HB   PHE  38           HB1      PHE  38 -12.121   6.656   4.531
  285    HD1  PHE  38           HD1      PHE  38 -12.125   5.552   1.765
  286    HD2  PHE  38           HD2      PHE  38 -12.115   3.555   5.569
  287    HE1  PHE  38           HE1      PHE  38 -13.211   3.576   0.730
  288    HE2  PHE  38           HE2      PHE  38 -13.199   1.580   4.533
  289    HZ   PHE  38           HZ       PHE  38 -13.761   1.596   2.122
  290    H    GLU  39           HN       GLU  39  -9.902   8.729   4.423
  291    HA   GLU  39           HA       GLU  39 -11.758  10.399   3.215
  292   1HB   GLU  39           HB2      GLU  39  -8.917  10.676   4.130
  293   2HB   GLU  39           HB1      GLU  39  -9.662  12.045   3.305
  294   1HG   GLU  39           HG2      GLU  39 -11.239  10.714   5.462
  295   2HG   GLU  39           HG1      GLU  39  -9.877  11.723   5.950
  296    H    LYS  40           HN       LYS  40  -8.900   8.956   1.758
  297    HA   LYS  40           HA       LYS  40  -9.710  10.138  -0.867
  298   1HB   LYS  40           HB2      LYS  40  -7.384  10.635   0.694
  299   2HB   LYS  40           HB1      LYS  40  -6.877   9.701  -0.714
  300   1HG   LYS  40           HG2      LYS  40  -6.930  11.647  -1.863
  301   2HG   LYS  40           HG1      LYS  40  -8.687  11.537  -1.762
  302   1HD   LYS  40           HD2      LYS  40  -8.493  13.560  -0.723
  303   2HD   LYS  40           HD1      LYS  40  -8.126  12.569   0.690
  304   1HE   LYS  40           HE2      LYS  40  -5.652  12.685  -0.344
  305   2HE   LYS  40           HE1      LYS  40  -6.286  14.210  -0.996
  306   1HZ   LYS  40           HZ3      LYS  40  -7.268  14.400   1.407
  307   2HZ   LYS  40           HZ2      LYS  40  -5.973  13.373   1.800
  308   3HZ   LYS  40           HZ1      LYS  40  -5.675  14.887   1.089
  309    H    ARG  41           HN       ARG  41  -9.348   7.367   0.876
  310    HA   ARG  41           HA       ARG  41  -9.195   5.095   0.268
  311   1HB   ARG  41           HB2      ARG  41  -9.990   6.578  -2.211
  312   2HB   ARG  41           HB1      ARG  41  -9.573   4.869  -2.354
  313   1HG   ARG  41           HG2      ARG  41 -11.222   5.163  -0.057
  314   2HG   ARG  41           HG1      ARG  41 -11.994   6.026  -1.384
  315   1HD   ARG  41           HD2      ARG  41 -10.896   3.399  -2.146
  316   2HD   ARG  41           HD1      ARG  41 -12.216   3.314  -0.968
  317    HE   ARG  41           HE       ARG  41 -12.491   3.971  -3.748
  318   1HH1  ARG  41          HH21      ARG  41 -13.530   5.086  -0.637
  319   2HH1  ARG  41          HH22      ARG  41 -14.842   6.013  -1.280
  320   1HH2  ARG  41          HH11      ARG  41 -14.204   5.156  -4.573
  321   2HH2  ARG  41          HH12      ARG  41 -15.224   6.052  -3.498
  322    H    GLU  42           HN       GLU  42  -6.752   6.242   0.689
  323    HA   GLU  42           HA       GLU  42  -5.079   4.932  -1.421
  324   1HB   GLU  42           HB2      GLU  42  -4.415   7.576  -0.099
  325   2HB   GLU  42           HB1      GLU  42  -3.641   6.855  -1.510
  326   1HG   GLU  42           HG2      GLU  42  -5.720   7.105  -2.796
  327   2HG   GLU  42           HG1      GLU  42  -6.516   7.795  -1.382
  328    H    ALA  43           HN       ALA  43  -3.173   3.933  -0.565
  329    HA   ALA  43           HA       ALA  43  -3.003   3.992   2.436
  330   1HB   ALA  43           HB1      ALA  43  -3.686   1.873   1.041
  331   2HB   ALA  43           HB3      ALA  43  -1.964   1.775   0.673
  332   3HB   ALA  43           HB2      ALA  43  -2.515   1.688   2.346
  333    H    VAL  44           HN       VAL  44  -1.067   4.754   3.251
  334    HA   VAL  44           HA       VAL  44   1.141   5.238   1.298
  335    HB   VAL  44           HB       VAL  44   0.100   7.136   2.550
  336   1HG1  VAL  44          HG12      VAL  44   0.091   5.318   4.645
  337   2HG1  VAL  44          HG11      VAL  44   1.364   6.451   5.096
  338   3HG1  VAL  44          HG13      VAL  44  -0.268   7.039   4.776
  339   1HG2  VAL  44          HG21      VAL  44   2.965   6.437   3.265
  340   2HG2  VAL  44          HG23      VAL  44   2.424   7.366   1.867
  341   3HG2  VAL  44          HG22      VAL  44   2.255   8.036   3.490
  342    H    VAL  45           HN       VAL  45   2.929   3.976   1.484
  343    HA   VAL  45           HA       VAL  45   3.397   2.619   4.118
  344    HB   VAL  45           HB       VAL  45   3.269   1.549   1.300
  345   1HG1  VAL  45          HG11      VAL  45   4.936   0.644   3.547
  346   2HG1  VAL  45          HG13      VAL  45   3.896  -0.615   2.882
  347   3HG1  VAL  45          HG12      VAL  45   5.035   0.232   1.837
  348   1HG2  VAL  45          HG21      VAL  45   1.634   1.461   3.714
  349   2HG2  VAL  45          HG23      VAL  45   1.211   1.016   2.061
  350   3HG2  VAL  45          HG22      VAL  45   2.006  -0.153   3.113
  351    H    THR  46           HN       THR  46   5.512   2.224   4.662
  352    HA   THR  46           HA       THR  46   7.642   3.522   2.998
  353    HB   THR  46           HB       THR  46   7.092   3.100   5.930
  354    HG1  THR  46           HG1      THR  46   7.715   5.259   5.980
  355   1HG2  THR  46          HG23      THR  46   9.778   3.069   4.616
  356   2HG2  THR  46          HG22      THR  46   9.608   3.923   6.150
  357   3HG2  THR  46          HG21      THR  46   9.221   2.205   6.049
  358    H    PHE  47           HN       PHE  47   9.714   2.156   2.897
  359    HA   PHE  47           HA       PHE  47   9.602  -0.560   3.918
  360   1HB   PHE  47           HB2      PHE  47   9.263  -1.645   1.722
  361   2HB   PHE  47           HB1      PHE  47   7.880  -0.640   2.160
  362    HD1  PHE  47           HD2      PHE  47  11.031  -0.689   0.128
  363    HD2  PHE  47           HD1      PHE  47   7.248   1.227   0.854
  364    HE1  PHE  47           HE2      PHE  47  11.316   0.649  -1.929
  365    HE2  PHE  47           HE1      PHE  47   7.535   2.566  -1.212
  366    HZ   PHE  47           HZ       PHE  47   9.564   2.278  -2.603
  367    H    ASP  48           HN       ASP  48  11.182  -1.956   2.444
  368    HA   ASP  48           HA       ASP  48  13.662  -0.332   2.182
  369   1HB   ASP  48           HB2      ASP  48  13.274  -2.415   3.756
  370   2HB   ASP  48           HB1      ASP  48  13.513  -3.335   2.270
  371    H    ASP  49           HN       ASP  49  13.891   0.257   0.073
  372    HA   ASP  49           HA       ASP  49  12.599  -1.000  -2.129
  373   1HB   ASP  49           HB2      ASP  49  13.776   1.315  -1.774
  374   2HB   ASP  49           HB1      ASP  49  15.202   0.472  -2.376
  375    H    THR  50           HN       THR  50  15.289  -2.064  -0.330
  376    HA   THR  50           HA       THR  50  16.724  -3.442  -2.454
  377    HB   THR  50           HB       THR  50  17.902  -4.449  -0.521
  378    HG1  THR  50           HG1      THR  50  16.898  -4.603   1.298
  379   1HG2  THR  50          HG21      THR  50  17.657  -1.694  -1.135
  380   2HG2  THR  50          HG23      THR  50  17.730  -1.815   0.623
  381   3HG2  THR  50          HG22      THR  50  19.019  -2.507  -0.363
  382    H    LYS  51           HN       LYS  51  14.024  -4.223  -0.339
  383    HA   LYS  51           HA       LYS  51  13.940  -6.965  -1.551
  384   1HB   LYS  51           HB2      LYS  51  13.340  -5.894   1.206
  385   2HB   LYS  51           HB1      LYS  51  12.676  -7.438   0.669
  386   1HG   LYS  51           HG2      LYS  51  14.675  -8.485   0.847
  387   2HG   LYS  51           HG1      LYS  51  15.539  -7.145   0.091
  388   1HD   LYS  51           HD2      LYS  51  16.393  -6.999   2.238
  389   2HD   LYS  51           HD1      LYS  51  14.986  -5.946   2.401
  390   1HE   LYS  51           HE2      LYS  51  15.052  -7.545   4.275
  391   2HE   LYS  51           HE1      LYS  51  13.668  -7.918   3.228
  392   1HZ   LYS  51           HZ2      LYS  51  16.275  -9.108   2.596
  393   2HZ   LYS  51           HZ1      LYS  51  15.373  -9.781   3.870
  394   3HZ   LYS  51           HZ3      LYS  51  14.714  -9.715   2.308
  395    H    ALA  52           HN       ALA  52  12.455  -3.983  -1.534
  396    HA   ALA  52           HA       ALA  52  10.003  -5.081  -2.741
  397   1HB   ALA  52           HB3      ALA  52  10.214  -4.256   0.038
  398   2HB   ALA  52           HB2      ALA  52   9.025  -3.276  -0.820
  399   3HB   ALA  52           HB1      ALA  52   8.864  -5.032  -0.788
  400    H    SER  53           HN       SER  53   8.448  -2.863  -2.834
  401    HA   SER  53           HA       SER  53   9.611  -0.315  -3.195
  402   1HB   SER  53           HB2      SER  53   9.791  -0.575  -5.810
  403   2HB   SER  53           HB1      SER  53  11.123  -1.122  -4.795
  404    HG   SER  53           HG       SER  53  10.553  -2.738  -6.262
  405    H    VAL  54           HN       VAL  54   8.202   1.055  -4.761
  406    HA   VAL  54           HA       VAL  54   5.502   0.949  -4.210
  407    HB   VAL  54           HB       VAL  54   6.457   2.800  -5.409
  408   1HG1  VAL  54          HG11      VAL  54   8.175   1.351  -6.590
  409   2HG1  VAL  54          HG13      VAL  54   6.916   0.932  -7.750
  410   3HG1  VAL  54          HG12      VAL  54   7.450   2.604  -7.596
  411   1HG2  VAL  54          HG23      VAL  54   4.051   2.001  -5.949
  412   2HG2  VAL  54          HG22      VAL  54   4.790   3.154  -7.059
  413   3HG2  VAL  54          HG21      VAL  54   4.725   1.443  -7.479
  414    H    GLN  55           HN       GLN  55   7.121  -0.724  -6.929
  415    HA   GLN  55           HA       GLN  55   4.893  -1.860  -8.204
  416   1HB   GLN  55           HB2      GLN  55   7.410  -1.944  -8.736
  417   2HB   GLN  55           HB1      GLN  55   7.483  -3.315  -7.627
  418   1HG   GLN  55           HG2      GLN  55   7.183  -4.089  -9.948
  419   2HG   GLN  55           HG1      GLN  55   5.772  -4.489  -8.968
  420   1HE2  GLN  55          HE22      GLN  55   5.431  -1.692 -11.945
  421   2HE2  GLN  55          HE21      GLN  55   6.969  -2.195 -11.433
  422    H    LYS  56           HN       LYS  56   6.743  -3.180  -5.445
  423    HA   LYS  56           HA       LYS  56   4.974  -5.453  -5.086
  424   1HB   LYS  56           HB2      LYS  56   7.025  -4.161  -3.258
  425   2HB   LYS  56           HB1      LYS  56   6.385  -5.797  -3.094
  426   1HG   LYS  56           HG2      LYS  56   7.973  -4.737  -5.450
  427   2HG   LYS  56           HG1      LYS  56   8.565  -5.856  -4.222
  428   1HD   LYS  56           HD2      LYS  56   6.474  -7.290  -4.934
  429   2HD   LYS  56           HD1      LYS  56   6.570  -6.335  -6.414
  430   1HE   LYS  56           HE2      LYS  56   7.996  -8.087  -6.983
  431   2HE   LYS  56           HE1      LYS  56   9.166  -6.996  -6.216
  432   1HZ   LYS  56           HZ3      LYS  56   7.661  -8.636  -4.373
  433   2HZ   LYS  56           HZ2      LYS  56   8.690  -9.517  -5.399
  434   3HZ   LYS  56           HZ1      LYS  56   9.321  -8.291  -4.408
  435    H    LEU  57           HN       LEU  57   4.896  -2.122  -3.976
  436    HA   LEU  57           HA       LEU  57   3.242  -2.613  -1.634
  437   1HB   LEU  57           HB2      LEU  57   3.605  -0.164  -3.398
  438   2HB   LEU  57           HB1      LEU  57   2.932  -0.159  -1.773
  439    HG   LEU  57           HG       LEU  57   5.750  -0.975  -2.521
  440   1HD1  LEU  57          HD11      LEU  57   4.588   1.550  -2.169
  441   2HD1  LEU  57          HD13      LEU  57   5.419   1.216  -0.651
  442   3HD1  LEU  57          HD12      LEU  57   6.312   1.175  -2.172
  443   1HD2  LEU  57          HD21      LEU  57   4.700  -2.193  -0.537
  444   2HD2  LEU  57          HD23      LEU  57   6.150  -1.264  -0.160
  445   3HD2  LEU  57          HD22      LEU  57   4.560  -0.622   0.248
  446    H    THR  58           HN       THR  58   2.504  -1.147  -4.816
  447    HA   THR  58           HA       THR  58  -0.324  -1.275  -4.630
  448    HB   THR  58           HB       THR  58   0.042  -1.413  -7.249
  449    HG1  THR  58           HG1      THR  58   2.035  -1.741  -7.749
  450   1HG2  THR  58          HG21      THR  58   0.906   0.788  -5.383
  451   2HG2  THR  58          HG23      THR  58   0.962   1.003  -7.132
  452   3HG2  THR  58          HG22      THR  58  -0.574   0.667  -6.334
  453    H    LYS  59           HN       LYS  59   2.090  -3.715  -5.466
  454    HA   LYS  59           HA       LYS  59   0.218  -5.624  -6.541
  455   1HB   LYS  59           HB2      LYS  59   2.594  -5.605  -7.127
  456   2HB   LYS  59           HB1      LYS  59   3.033  -5.843  -5.435
  457   1HG   LYS  59           HG2      LYS  59   2.195  -8.055  -5.406
  458   2HG   LYS  59           HG1      LYS  59   1.261  -7.811  -6.882
  459   1HD   LYS  59           HD2      LYS  59   3.143  -7.952  -8.257
  460   2HD   LYS  59           HD1      LYS  59   4.250  -7.517  -6.954
  461   1HE   LYS  59           HE2      LYS  59   3.709  -9.719  -5.848
  462   2HE   LYS  59           HE1      LYS  59   2.793 -10.159  -7.304
  463   1HZ   LYS  59           HZ2      LYS  59   4.970  -9.287  -8.457
  464   2HZ   LYS  59           HZ1      LYS  59   5.675  -9.739  -6.979
  465   3HZ   LYS  59           HZ3      LYS  59   4.853 -10.892  -7.912
  466    H    ALA  60           HN       ALA  60   1.514  -4.895  -3.350
  467    HA   ALA  60           HA       ALA  60   0.623  -7.299  -2.066
  468   1HB   ALA  60           HB1      ALA  60   2.118  -4.999  -1.478
  469   2HB   ALA  60           HB3      ALA  60   0.737  -4.927  -0.383
  470   3HB   ALA  60           HB2      ALA  60   1.795  -6.339  -0.378
  471    H    THR  61           HN       THR  61  -0.718  -3.975  -2.171
  472    HA   THR  61           HA       THR  61  -3.177  -4.703  -0.836
  473    HB   THR  61           HB       THR  61  -2.440  -2.403  -0.842
  474    HG1  THR  61           HG1      THR  61  -4.213  -1.419  -2.081
  475   1HG2  THR  61          HG21      THR  61  -1.630  -3.047  -3.502
  476   2HG2  THR  61          HG23      THR  61  -2.710  -1.658  -3.585
  477   3HG2  THR  61          HG22      THR  61  -1.266  -1.594  -2.576
  478    H    ALA  62           HN       ALA  62  -1.947  -4.782  -4.053
  479    HA   ALA  62           HA       ALA  62  -4.411  -5.053  -5.505
  480   1HB   ALA  62           HB1      ALA  62  -1.522  -5.816  -5.934
  481   2HB   ALA  62           HB3      ALA  62  -2.748  -6.215  -7.136
  482   3HB   ALA  62           HB2      ALA  62  -2.439  -4.530  -6.718
  483    H    ASP  63           HN       ASP  63  -2.271  -7.305  -3.812
  484    HA   ASP  63           HA       ASP  63  -3.806  -9.659  -4.668
  485   1HB   ASP  63           HB2      ASP  63  -1.318  -8.985  -3.260
  486   2HB   ASP  63           HB1      ASP  63  -2.160 -10.356  -2.536
  487    H    ALA  64           HN       ALA  64  -3.987  -7.260  -2.226
  488    HA   ALA  64           HA       ALA  64  -5.298  -8.821  -0.162
  489   1HB   ALA  64           HB1      ALA  64  -4.309  -6.192  -0.613
  490   2HB   ALA  64           HB3      ALA  64  -6.022  -6.021  -0.237
  491   3HB   ALA  64           HB2      ALA  64  -4.949  -6.841   0.897
  492    H    GLY  65           HN       GLY  65  -6.208  -7.119  -3.080
  493   1HA   GLY  65           HA2      GLY  65  -8.316  -8.226  -4.077
  494   2HA   GLY  65           HA1      GLY  65  -9.064  -7.779  -2.549
  495    H    TYR  66           HN       TYR  66  -6.747  -5.565  -3.972
  496    HA   TYR  66           HA       TYR  66  -9.023  -3.921  -5.016
  497   1HB   TYR  66           HB2      TYR  66  -6.790  -2.990  -3.200
  498   2HB   TYR  66           HB1      TYR  66  -8.117  -2.004  -3.803
  499    HD1  TYR  66           HD1      TYR  66 -10.523  -3.173  -3.373
  500    HD2  TYR  66           HD2      TYR  66  -6.947  -3.736  -1.092
  501    HE1  TYR  66           HE1      TYR  66 -11.884  -3.795  -1.410
  502    HE2  TYR  66           HE2      TYR  66  -8.289  -4.350   0.880
  503    HH   TYR  66           HH       TYR  66 -10.838  -5.414   1.121
  504    HA   PRO  67           HA       PRO  67  -5.858  -3.701  -8.288
  505   1HB   PRO  67           HB2      PRO  67  -7.746  -2.025  -9.699
  506   2HB   PRO  67           HB1      PRO  67  -7.285  -3.689 -10.076
  507   1HG   PRO  67           HG2      PRO  67  -9.773  -2.764  -8.993
  508   2HG   PRO  67           HG1      PRO  67  -9.296  -4.428  -9.343
  509   1HD   PRO  67           HD2      PRO  67  -9.624  -3.195  -6.756
  510   2HD   PRO  67           HD1      PRO  67  -9.119  -4.866  -7.110
  511    H    SER  68           HN       SER  68  -4.478  -2.281  -7.057
  512    HA   SER  68           HA       SER  68  -5.381   0.552  -6.786
  513   1HB   SER  68           HB2      SER  68  -4.023   0.577  -4.871
  514   2HB   SER  68           HB1      SER  68  -4.620  -1.079  -4.899
  515    HG   SER  68           HG       SER  68  -2.567  -1.280  -6.336
  516    H    SER  69           HN       SER  69  -3.045   1.833  -6.422
  517    HA   SER  69           HA       SER  69  -1.130   1.352  -8.601
  518   1HB   SER  69           HB2      SER  69  -3.191   3.569  -8.547
  519   2HB   SER  69           HB1      SER  69  -1.691   3.728  -9.456
  520    HG   SER  69           HG       SER  69  -3.529   2.850 -10.639
  521    H    VAL  70           HN       VAL  70   0.092   3.861  -8.534
  522    HA   VAL  70           HA       VAL  70   0.492   4.358  -5.626
  523    HB   VAL  70           HB       VAL  70   2.039   2.722  -6.826
  524   1HG1  VAL  70          HG13      VAL  70   2.178   4.670  -8.719
  525   2HG1  VAL  70          HG12      VAL  70   3.626   5.039  -7.781
  526   3HG1  VAL  70          HG11      VAL  70   3.423   3.441  -8.499
  527   1HG2  VAL  70          HG22      VAL  70   2.638   4.924  -4.993
  528   2HG2  VAL  70          HG21      VAL  70   3.140   3.237  -4.906
  529   3HG2  VAL  70          HG23      VAL  70   4.066   4.384  -5.872
  530    H    LYS  71           HN       LYS  71   1.566   6.433  -5.157
  531    HA   LYS  71           HA       LYS  71   1.152   8.413  -7.382
  532   1HB   LYS  71           HB2      LYS  71   0.868   9.245  -4.535
  533   2HB   LYS  71           HB1      LYS  71  -0.057   9.759  -5.945
  534   1HG   LYS  71           HG2      LYS  71  -1.196   7.559  -5.983
  535   2HG   LYS  71           HG1      LYS  71  -0.297   7.083  -4.541
  536   1HD   LYS  71           HD2      LYS  71  -1.558   8.379  -3.163
  537   2HD   LYS  71           HD1      LYS  71  -1.704   9.673  -4.353
  538   1HE   LYS  71           HE2      LYS  71  -3.094   7.309  -5.293
  539   2HE   LYS  71           HE1      LYS  71  -3.691   7.783  -3.690
  540   1HZ   LYS  71           HZ1      LYS  71  -3.246   9.703  -5.910
  541   2HZ   LYS  71           HZ3      LYS  71  -4.752   8.997  -5.582
  542   3HZ   LYS  71           HZ2      LYS  71  -4.018  10.003  -4.426
  543    H    GLN  72           HN       GLN  72   3.503   6.968  -6.384
  544    HA   GLN  72           HA       GLN  72   5.353   8.361  -4.861
  545   1HB   GLN  72           HB2      GLN  72   5.829   6.249  -5.959
  546   2HB   GLN  72           HB1      GLN  72   5.673   6.995  -7.550
  547   1HG   GLN  72           HG2      GLN  72   7.573   8.502  -6.032
  548   2HG   GLN  72           HG1      GLN  72   8.007   6.794  -5.934
  549   1HE2  GLN  72          HE22      GLN  72   9.121   8.616  -9.202
  550   2HE2  GLN  72          HE21      GLN  72   9.002   9.276  -7.643
   
  No H/Q in entry =         550
  Start of MODEL    4
    1   1H    ALA   1           HT2      ALA   1  16.496   1.384  -0.221
    2   2H    ALA   1           HT1      ALA   1  17.892   1.967  -0.996
    3   3H    ALA   1           HT3      ALA   1  17.914   1.665   0.673
    4    HA   ALA   1           HA       ALA   1  17.699   3.983   0.543
    5   1HB   ALA   1           HB2      ALA   1  16.442   3.135  -1.944
    6   2HB   ALA   1           HB1      ALA   1  15.519   4.417  -1.161
    7   3HB   ALA   1           HB3      ALA   1  17.219   4.670  -1.560
    8    H    THR   2           HN       THR   2  15.267   5.276   0.635
    9    HA   THR   2           HA       THR   2  13.389   3.685   2.240
   10    HB   THR   2           HB       THR   2  13.649   6.045   3.627
   11    HG1  THR   2           HG1      THR   2  16.277   5.153   3.260
   12   1HG2  THR   2          HG22      THR   2  14.491   3.239   3.984
   13   2HG2  THR   2          HG21      THR   2  15.282   4.403   5.048
   14   3HG2  THR   2          HG23      THR   2  13.524   4.269   5.041
   15    H    GLN   3           HN       GLN   3  12.007   4.068   0.426
   16    HA   GLN   3           HA       GLN   3  11.413   6.939  -0.185
   17   1HB   GLN   3           HB2      GLN   3  11.411   4.354  -1.653
   18   2HB   GLN   3           HB1      GLN   3  10.228   5.561  -2.160
   19   1HG   GLN   3           HG2      GLN   3  12.770   6.840  -1.710
   20   2HG   GLN   3           HG1      GLN   3  12.983   5.478  -2.810
   21   1HE2  GLN   3          HE22      GLN   3  10.511   8.560  -3.967
   22   2HE2  GLN   3          HE21      GLN   3  10.769   8.287  -2.312
   23    H    THR   4           HN       THR   4   9.195   7.526  -0.645
   24    HA   THR   4           HA       THR   4   7.164   5.911   0.855
   25    HB   THR   4           HB       THR   4   7.707   7.841   2.166
   26    HG1  THR   4           HG1      THR   4   5.800   9.176   1.808
   27   1HG2  THR   4          HG22      THR   4   7.585   9.363  -0.450
   28   2HG2  THR   4          HG21      THR   4   7.745  10.125   1.133
   29   3HG2  THR   4          HG23      THR   4   9.018   9.062   0.532
   30    H    VAL   5           HN       VAL   5   5.099   5.841  -0.144
   31    HA   VAL   5           HA       VAL   5   4.617   7.348  -2.675
   32    HB   VAL   5           HB       VAL   5   4.263   4.392  -2.802
   33   1HG1  VAL   5          HG13      VAL   5   3.645   5.923  -4.648
   34   2HG1  VAL   5          HG12      VAL   5   5.322   6.457  -4.746
   35   3HG1  VAL   5          HG11      VAL   5   4.907   4.790  -5.133
   36   1HG2  VAL   5          HG22      VAL   5   6.538   4.655  -1.789
   37   2HG2  VAL   5          HG21      VAL   5   6.601   4.002  -3.426
   38   3HG2  VAL   5          HG23      VAL   5   6.985   5.699  -3.138
   39    H    THR   6           HN       THR   6   2.390   7.118  -3.350
   40    HA   THR   6           HA       THR   6   0.588   6.313  -1.118
   41    HB   THR   6           HB       THR   6  -0.925   7.760  -2.809
   42    HG1  THR   6           HG1      THR   6   0.770   9.476  -3.417
   43   1HG2  THR   6          HG22      THR   6   0.948   8.507  -0.625
   44   2HG2  THR   6          HG21      THR   6   0.239   9.826  -1.557
   45   3HG2  THR   6          HG23      THR   6  -0.805   8.683  -0.711
   46    H    LEU   7           HN       LEU   7  -1.324   5.027  -1.820
   47    HA   LEU   7           HA       LEU   7  -0.860   3.728  -4.475
   48   1HB   LEU   7           HB2      LEU   7  -0.794   2.685  -1.757
   49   2HB   LEU   7           HB1      LEU   7  -1.942   1.800  -2.758
   50    HG   LEU   7           HG       LEU   7  -0.277   1.263  -4.359
   51   1HD1  LEU   7          HD12      LEU   7   1.318   3.399  -2.991
   52   2HD1  LEU   7          HD11      LEU   7   2.118   2.153  -3.951
   53   3HD1  LEU   7          HD13      LEU   7   0.938   3.221  -4.698
   54   1HD2  LEU   7          HD23      LEU   7  -0.114  -0.015  -2.196
   55   2HD2  LEU   7          HD22      LEU   7   1.411   0.069  -3.076
   56   3HD2  LEU   7          HD21      LEU   7   1.140   1.115  -1.684
   57    H    ALA   8           HN       ALA   8  -2.742   2.753  -5.413
   58    HA   ALA   8           HA       ALA   8  -5.292   4.086  -4.578
   59   1HB   ALA   8           HB2      ALA   8  -4.246   4.680  -6.775
   60   2HB   ALA   8           HB1      ALA   8  -4.407   2.994  -7.268
   61   3HB   ALA   8           HB3      ALA   8  -5.847   3.963  -6.957
   62    H    VAL   9           HN       VAL   9  -6.360   2.550  -3.345
   63    HA   VAL   9           HA       VAL   9  -6.662  -0.199  -4.510
   64    HB   VAL   9           HB       VAL   9  -5.464  -0.437  -2.482
   65   1HG1  VAL   9          HG13      VAL   9  -7.250   1.760  -1.386
   66   2HG1  VAL   9          HG12      VAL   9  -6.077   0.867  -0.418
   67   3HG1  VAL   9          HG11      VAL   9  -5.529   1.884  -1.750
   68   1HG2  VAL   9          HG21      VAL   9  -8.132  -1.268  -2.548
   69   2HG2  VAL   9          HG23      VAL   9  -6.888  -1.850  -1.440
   70   3HG2  VAL   9          HG22      VAL   9  -7.949  -0.526  -0.958
   71    HA   PRO  10           HA       PRO  10 -10.829   1.791  -4.384
   72   1HB   PRO  10           HB2      PRO  10 -11.477   0.688  -6.886
   73   2HB   PRO  10           HB1      PRO  10 -10.898   2.331  -6.592
   74   1HG   PRO  10           HG2      PRO  10  -9.512   0.140  -7.890
   75   2HG   PRO  10           HG1      PRO  10  -9.001   1.824  -7.725
   76   1HD   PRO  10           HD2      PRO  10  -8.032  -0.500  -6.269
   77   2HD   PRO  10           HD1      PRO  10  -7.446   1.181  -6.182
   78    H    GLY  11           HN       GLY  11 -10.499  -0.431  -2.801
   79   1HA   GLY  11           HA2      GLY  11 -12.231  -2.555  -3.955
   80   2HA   GLY  11           HA1      GLY  11 -11.201  -2.745  -2.537
   81    H    MET  12           HN       MET  12 -12.113  -0.040  -1.550
   82    HA   MET  12           HA       MET  12 -13.756   0.796  -0.096
   83   1HB   MET  12           HB2      MET  12 -15.337  -0.815  -2.115
   84   2HB   MET  12           HB1      MET  12 -16.122   0.125  -0.849
   85   1HG   MET  12           HG2      MET  12 -15.319   2.170  -1.700
   86   2HG   MET  12           HG1      MET  12 -14.057   1.382  -2.649
   87   1HE   MET  12           HE3      MET  12 -13.949   1.147  -4.561
   88   2HE   MET  12           HE2      MET  12 -14.989  -0.016  -5.381
   89   3HE   MET  12           HE1      MET  12 -15.089   1.693  -5.799
   90    H    THR  13           HN       THR  13 -15.495  -2.200  -0.694
   91    HA   THR  13           HA       THR  13 -16.187  -3.872   0.814
   92    HB   THR  13           HB       THR  13 -14.084  -4.494   2.349
   93    HG1  THR  13           HG1      THR  13 -12.261  -3.812   0.820
   94   1HG2  THR  13          HG21      THR  13 -14.472  -4.847  -0.614
   95   2HG2  THR  13          HG23      THR  13 -13.095  -5.577   0.211
   96   3HG2  THR  13          HG22      THR  13 -14.736  -6.013   0.683
   97    H    CYS  14           HN       CYS  14 -16.058  -0.824   1.672
   98    HA   CYS  14           HA       CYS  14 -16.692   0.402   3.572
   99   1HB   CYS  14           HB2      CYS  14 -18.203  -1.919   3.289
  100   2HB   CYS  14           HB1      CYS  14 -17.743  -1.923   4.992
  101    HG   CYS  14           HG       CYS  14 -19.573  -0.269   5.257
  102    H    ALA  15           HN       ALA  15 -14.967   1.049   4.789
  103    HA   ALA  15           HA       ALA  15 -13.155   0.943   6.320
  104   1HB   ALA  15           HB3      ALA  15 -15.682   0.489   7.390
  105   2HB   ALA  15           HB2      ALA  15 -14.688  -0.764   8.132
  106   3HB   ALA  15           HB1      ALA  15 -14.241   0.933   8.303
  107    H    ALA  16           HN       ALA  16 -13.310  -1.418   4.372
  108    HA   ALA  16           HA       ALA  16 -11.827  -3.399   6.077
  109   1HB   ALA  16           HB3      ALA  16 -13.889  -3.591   3.951
  110   2HB   ALA  16           HB2      ALA  16 -12.594  -4.783   3.861
  111   3HB   ALA  16           HB1      ALA  16 -13.587  -4.665   5.315
  112    H    CYS  17           HN       CYS  17 -12.063  -1.878   2.880
  113    HA   CYS  17           HA       CYS  17  -9.761  -2.876   1.619
  114   1HB   CYS  17           HB2      CYS  17 -11.707  -0.964   1.200
  115   2HB   CYS  17           HB1      CYS  17 -10.229  -0.004   1.263
  116    HG   CYS  17           HG       CYS  17 -10.722  -2.328  -0.768
  117    HA   PRO  18           HA       PRO  18  -7.228   0.754   3.589
  118   1HB   PRO  18           HB2      PRO  18  -8.431   1.652   5.983
  119   2HB   PRO  18           HB1      PRO  18  -8.363   2.506   4.439
  120   1HG   PRO  18           HG2      PRO  18 -10.649   1.274   5.727
  121   2HG   PRO  18           HG1      PRO  18 -10.607   2.274   4.275
  122   1HD   PRO  18           HD2      PRO  18 -11.003  -0.568   4.448
  123   2HD   PRO  18           HD1      PRO  18 -10.931   0.426   2.974
  124    H    ILE  19           HN       ILE  19  -8.794  -1.683   5.600
  125    HA   ILE  19           HA       ILE  19  -6.574  -1.621   7.571
  126    HB   ILE  19           HB       ILE  19  -9.192  -3.098   7.257
  127   1HG1  ILE  19          HG12      ILE  19  -9.363  -1.975   9.636
  128   2HG1  ILE  19          HG11      ILE  19  -8.060  -0.951   9.031
  129   1HG2  ILE  19          HG22      ILE  19  -7.078  -3.507   9.395
  130   2HG2  ILE  19          HG21      ILE  19  -8.697  -4.207   9.411
  131   3HG2  ILE  19          HG23      ILE  19  -7.542  -4.686   8.168
  132   1HD1  ILE  19          HD12      ILE  19 -10.050  -1.192   6.983
  133   2HD1  ILE  19          HD11      ILE  19 -10.847  -0.731   8.486
  134   3HD1  ILE  19          HD13      ILE  19  -9.536   0.258   7.844
  135    H    THR  20           HN       THR  20  -7.881  -3.645   5.019
  136    HA   THR  20           HA       THR  20  -6.097  -5.884   5.407
  137    HB   THR  20           HB       THR  20  -8.078  -4.827   3.427
  138    HG1  THR  20           HG1      THR  20  -9.202  -6.487   4.149
  139   1HG2  THR  20          HG23      THR  20  -6.111  -7.051   2.913
  140   2HG2  THR  20          HG22      THR  20  -7.639  -6.904   2.043
  141   3HG2  THR  20          HG21      THR  20  -6.424  -5.630   1.917
  142    H    VAL  21           HN       VAL  21  -6.218  -3.060   3.244
  143    HA   VAL  21           HA       VAL  21  -3.917  -3.690   1.707
  144    HB   VAL  21           HB       VAL  21  -5.195  -1.061   2.517
  145   1HG1  VAL  21          HG12      VAL  21  -3.053  -1.758   0.526
  146   2HG1  VAL  21          HG11      VAL  21  -4.120  -0.383   0.240
  147   3HG1  VAL  21          HG13      VAL  21  -3.100  -0.427   1.678
  148   1HG2  VAL  21          HG21      VAL  21  -6.547  -2.873   1.263
  149   2HG2  VAL  21          HG23      VAL  21  -6.507  -1.260   0.551
  150   3HG2  VAL  21          HG22      VAL  21  -5.485  -2.540  -0.102
  151    H    LYS  22           HN       LYS  22  -4.305  -1.584   4.569
  152    HA   LYS  22           HA       LYS  22  -1.637  -0.771   4.902
  153   1HB   LYS  22           HB2      LYS  22  -3.723  -0.125   6.204
  154   2HB   LYS  22           HB1      LYS  22  -3.520  -1.622   7.117
  155   1HG   LYS  22           HG2      LYS  22  -1.291  -0.915   7.842
  156   2HG   LYS  22           HG1      LYS  22  -1.423   0.556   6.878
  157   1HD   LYS  22           HD2      LYS  22  -3.599   0.973   8.259
  158   2HD   LYS  22           HD1      LYS  22  -2.909  -0.196   9.385
  159   1HE   LYS  22           HE2      LYS  22  -0.885   1.720   8.579
  160   2HE   LYS  22           HE1      LYS  22  -2.300   2.550   9.257
  161   1HZ   LYS  22           HZ3      LYS  22  -1.325   0.096  10.544
  162   2HZ   LYS  22           HZ2      LYS  22  -0.503   1.553  10.839
  163   3HZ   LYS  22           HZ1      LYS  22  -2.150   1.411  11.227
  164    H    LYS  23           HN       LYS  23  -3.180  -3.781   6.074
  165    HA   LYS  23           HA       LYS  23  -0.809  -4.781   7.369
  166   1HB   LYS  23           HB2      LYS  23  -3.476  -5.814   6.494
  167   2HB   LYS  23           HB1      LYS  23  -2.251  -6.976   7.006
  168   1HG   LYS  23           HG2      LYS  23  -2.014  -5.163   9.000
  169   2HG   LYS  23           HG1      LYS  23  -3.720  -4.949   8.604
  170   1HD   LYS  23           HD2      LYS  23  -4.249  -7.183   9.114
  171   2HD   LYS  23           HD1      LYS  23  -2.571  -7.710   8.971
  172   1HE   LYS  23           HE2      LYS  23  -2.979  -5.636  11.028
  173   2HE   LYS  23           HE1      LYS  23  -3.813  -7.165  11.366
  174   1HZ   LYS  23           HZ1      LYS  23  -1.675  -8.275  10.663
  175   2HZ   LYS  23           HZ3      LYS  23  -0.940  -6.750  10.769
  176   3HZ   LYS  23           HZ2      LYS  23  -1.629  -7.459  12.151
  177    H    ALA  24           HN       ALA  24  -1.877  -4.829   4.066
  178    HA   ALA  24           HA       ALA  24  -0.263  -7.064   3.223
  179   1HB   ALA  24           HB1      ALA  24  -2.245  -5.269   2.198
  180   2HB   ALA  24           HB3      ALA  24  -0.878  -5.284   1.084
  181   3HB   ALA  24           HB2      ALA  24  -1.692  -6.792   1.500
  182    H    LEU  25           HN       LEU  25  -0.017  -3.591   2.407
  183    HA   LEU  25           HA       LEU  25   2.585  -3.647   1.302
  184   1HB   LEU  25           HB2      LEU  25   1.154  -1.482   2.873
  185   2HB   LEU  25           HB1      LEU  25   2.486  -1.219   1.746
  186    HG   LEU  25           HG       LEU  25   0.767  -2.692   0.212
  187   1HD1  LEU  25          HD13      LEU  25  -0.750  -1.475   2.395
  188   2HD1  LEU  25          HD12      LEU  25  -1.335  -1.010   0.797
  189   3HD1  LEU  25          HD11      LEU  25  -1.236  -2.715   1.238
  190   1HD2  LEU  25          HD23      LEU  25   1.464   0.150   0.569
  191   2HD2  LEU  25          HD22      LEU  25   1.498  -0.833  -0.893
  192   3HD2  LEU  25          HD21      LEU  25  -0.021  -0.130  -0.335
  193    H    SER  26           HN       SER  26   1.527  -3.487   4.649
  194    HA   SER  26           HA       SER  26   4.147  -2.784   5.737
  195   1HB   SER  26           HB2      SER  26   2.989  -2.823   7.763
  196   2HB   SER  26           HB1      SER  26   1.648  -2.586   6.645
  197    HG   SER  26           HG       SER  26   1.120  -4.696   6.824
  198    H    LYS  27           HN       LYS  27   2.392  -5.766   4.986
  199    HA   LYS  27           HA       LYS  27   4.402  -7.418   6.350
  200   1HB   LYS  27           HB2      LYS  27   2.352  -8.438   6.566
  201   2HB   LYS  27           HB1      LYS  27   1.731  -7.691   5.099
  202   1HG   LYS  27           HG2      LYS  27   3.812  -9.857   4.934
  203   2HG   LYS  27           HG1      LYS  27   2.103 -10.262   5.107
  204   1HD   LYS  27           HD2      LYS  27   2.374  -8.210   3.118
  205   2HD   LYS  27           HD1      LYS  27   3.474  -9.534   2.730
  206   1HE   LYS  27           HE2      LYS  27   0.581 -10.030   3.481
  207   2HE   LYS  27           HE1      LYS  27   1.096  -9.778   1.801
  208   1HZ   LYS  27           HZ1      LYS  27   2.865 -11.497   2.286
  209   2HZ   LYS  27           HZ3      LYS  27   1.990 -11.881   3.687
  210   3HZ   LYS  27           HZ2      LYS  27   1.274 -12.081   2.160
  211    H    VAL  28           HN       VAL  28   4.210  -5.821   3.430
  212    HA   VAL  28           HA       VAL  28   4.983  -7.457   1.355
  213    HB   VAL  28           HB       VAL  28   5.851  -4.752   2.345
  214   1HG1  VAL  28          HG13      VAL  28   7.204  -6.398   0.292
  215   2HG1  VAL  28          HG12      VAL  28   6.766  -4.773  -0.236
  216   3HG1  VAL  28          HG11      VAL  28   7.797  -4.992   1.178
  217   1HG2  VAL  28          HG22      VAL  28   3.605  -5.201   1.288
  218   2HG2  VAL  28          HG21      VAL  28   4.567  -3.980   0.455
  219   3HG2  VAL  28          HG23      VAL  28   4.455  -5.613  -0.202
  220    H    GLU  29           HN       GLU  29   7.655  -5.748   2.884
  221    HA   GLU  29           HA       GLU  29   9.062  -7.979   3.982
  222   1HB   GLU  29           HB2      GLU  29   9.276  -8.953   1.869
  223   2HB   GLU  29           HB1      GLU  29   9.304  -7.395   1.045
  224   1HG   GLU  29           HG2      GLU  29  11.555  -7.074   1.427
  225   2HG   GLU  29           HG1      GLU  29  11.543  -8.014   2.919
  226    H    GLY  30           HN       GLY  30   9.688  -5.118   1.920
  227   1HA   GLY  30           HA2      GLY  30  11.791  -4.248   3.829
  228   2HA   GLY  30           HA1      GLY  30  11.531  -3.581   2.215
  229    H    VAL  31           HN       VAL  31   8.546  -3.545   2.810
  230    HA   VAL  31           HA       VAL  31   8.217  -0.839   3.511
  231    HB   VAL  31           HB       VAL  31   6.348  -3.161   4.074
  232   1HG1  VAL  31          HG13      VAL  31   6.108  -0.211   4.086
  233   2HG1  VAL  31          HG12      VAL  31   4.824  -1.062   3.228
  234   3HG1  VAL  31          HG11      VAL  31   5.140  -1.422   4.925
  235   1HG2  VAL  31          HG22      VAL  31   7.010  -1.632   1.552
  236   2HG2  VAL  31          HG21      VAL  31   6.985  -3.378   1.794
  237   3HG2  VAL  31          HG23      VAL  31   5.473  -2.473   1.749
  238    H    SER  32           HN       SER  32   8.226   0.262   5.343
  239    HA   SER  32           HA       SER  32   8.341  -1.272   7.920
  240   1HB   SER  32           HB2      SER  32  10.531  -0.336   6.997
  241   2HB   SER  32           HB1      SER  32   9.851   1.266   7.255
  242    HG   SER  32           HG       SER  32   9.405   0.214   9.484
  243    H    LYS  33           HN       LYS  33   6.710   1.038   6.097
  244    HA   LYS  33           HA       LYS  33   5.194   1.884   8.499
  245   1HB   LYS  33           HB2      LYS  33   6.795   3.564   8.657
  246   2HB   LYS  33           HB1      LYS  33   7.067   3.607   6.920
  247   1HG   LYS  33           HG2      LYS  33   5.036   4.811   6.533
  248   2HG   LYS  33           HG1      LYS  33   4.464   4.504   8.174
  249   1HD   LYS  33           HD2      LYS  33   5.727   6.182   9.067
  250   2HD   LYS  33           HD1      LYS  33   7.083   5.872   7.982
  251   1HE   LYS  33           HE2      LYS  33   6.154   8.033   7.378
  252   2HE   LYS  33           HE1      LYS  33   5.668   6.886   6.113
  253   1HZ   LYS  33           HZ2      LYS  33   4.028   7.417   8.529
  254   2HZ   LYS  33           HZ1      LYS  33   3.814   8.264   7.072
  255   3HZ   LYS  33           HZ3      LYS  33   3.566   6.587   7.119
  256    H    VAL  34           HN       VAL  34   3.125   1.565   7.825
  257    HA   VAL  34           HA       VAL  34   2.434   2.170   4.974
  258    HB   VAL  34           HB       VAL  34   0.852   0.560   6.987
  259   1HG1  VAL  34          HG11      VAL  34   0.847   1.008   4.036
  260   2HG1  VAL  34          HG13      VAL  34   0.416  -0.601   4.618
  261   3HG1  VAL  34          HG12      VAL  34  -0.510   0.805   5.143
  262   1HG2  VAL  34          HG21      VAL  34   3.433  -0.052   5.769
  263   2HG2  VAL  34          HG23      VAL  34   2.554  -0.929   7.020
  264   3HG2  VAL  34          HG22      VAL  34   2.201  -1.231   5.319
  265    H    ASP  35           HN       ASP  35  -0.139   2.724   4.954
  266    HA   ASP  35           HA       ASP  35  -0.978   4.386   7.229
  267   1HB   ASP  35           HB2      ASP  35   0.785   5.609   5.739
  268   2HB   ASP  35           HB1      ASP  35  -0.543   5.769   4.590
  269    H    VAL  36           HN       VAL  36  -3.167   5.238   6.887
  270    HA   VAL  36           HA       VAL  36  -4.653   3.690   4.797
  271    HB   VAL  36           HB       VAL  36  -5.624   4.855   7.424
  272   1HG1  VAL  36          HG12      VAL  36  -7.180   4.155   5.417
  273   2HG1  VAL  36          HG11      VAL  36  -6.802   2.520   5.958
  274   3HG1  VAL  36          HG13      VAL  36  -7.588   3.651   7.058
  275   1HG2  VAL  36          HG23      VAL  36  -4.085   2.412   6.785
  276   2HG2  VAL  36          HG22      VAL  36  -4.270   3.252   8.325
  277   3HG2  VAL  36          HG21      VAL  36  -5.522   2.140   7.770
  278    H    GLY  37           HN       GLY  37  -5.896   4.831   3.343
  279   1HA   GLY  37           HA2      GLY  37  -6.563   7.665   3.930
  280   2HA   GLY  37           HA1      GLY  37  -5.671   7.315   2.448
  281    H    PHE  38           HN       PHE  38  -8.522   5.950   4.144
  282    HA   PHE  38           HA       PHE  38  -9.791   4.971   1.782
  283   1HB   PHE  38           HB2      PHE  38 -10.152   4.749   4.447
  284   2HB   PHE  38           HB1      PHE  38 -11.426   5.912   4.085
  285    HD1  PHE  38           HD2      PHE  38 -10.160   3.207   1.829
  286    HD2  PHE  38           HD1      PHE  38 -13.368   4.576   4.344
  287    HE1  PHE  38           HE2      PHE  38 -11.601   1.378   0.986
  288    HE2  PHE  38           HE1      PHE  38 -14.803   2.741   3.500
  289    HZ   PHE  38           HZ       PHE  38 -13.928   1.142   1.827
  290    H    GLU  39           HN       GLU  39  -9.460   8.192   2.983
  291    HA   GLU  39           HA       GLU  39 -11.758   9.548   2.205
  292   1HB   GLU  39           HB2      GLU  39  -8.876  10.059   2.398
  293   2HB   GLU  39           HB1      GLU  39  -9.667  11.094   1.209
  294   1HG   GLU  39           HG2      GLU  39 -11.336  10.926   3.538
  295   2HG   GLU  39           HG1      GLU  39  -9.701  11.363   4.038
  296    H    LYS  40           HN       LYS  40  -9.418   7.910   0.190
  297    HA   LYS  40           HA       LYS  40 -11.178   8.240  -2.159
  298   1HB   LYS  40           HB2      LYS  40  -9.164  10.040  -1.729
  299   2HB   LYS  40           HB1      LYS  40  -8.321   8.815  -2.678
  300   1HG   LYS  40           HG2      LYS  40  -9.604   9.182  -4.556
  301   2HG   LYS  40           HG1      LYS  40 -11.022   9.662  -3.623
  302   1HD   LYS  40           HD2      LYS  40 -10.201  11.650  -4.688
  303   2HD   LYS  40           HD1      LYS  40  -9.752  11.768  -2.986
  304   1HE   LYS  40           HE2      LYS  40  -7.482  11.272  -3.423
  305   2HE   LYS  40           HE1      LYS  40  -7.852  10.576  -5.014
  306   1HZ   LYS  40           HZ3      LYS  40  -8.831  12.892  -5.491
  307   2HZ   LYS  40           HZ2      LYS  40  -7.877  13.408  -4.184
  308   3HZ   LYS  40           HZ1      LYS  40  -7.147  12.704  -5.546
  309    H    ARG  41           HN       ARG  41 -10.698   5.921  -0.697
  310    HA   ARG  41           HA       ARG  41  -9.759   3.740  -0.817
  311   1HB   ARG  41           HB2      ARG  41  -9.877   4.209  -3.791
  312   2HB   ARG  41           HB1      ARG  41 -10.344   2.775  -2.881
  313   1HG   ARG  41           HG2      ARG  41 -11.799   5.421  -2.695
  314   2HG   ARG  41           HG1      ARG  41 -12.279   4.116  -3.776
  315   1HD   ARG  41           HD2      ARG  41 -13.427   3.163  -2.071
  316   2HD   ARG  41           HD1      ARG  41 -11.905   2.980  -1.174
  317    HE   ARG  41           HE       ARG  41 -12.530   5.669  -0.886
  318   1HH1  ARG  41          HH21      ARG  41 -14.149   2.671  -0.335
  319   2HH1  ARG  41          HH22      ARG  41 -15.069   3.267   1.005
  320   1HH2  ARG  41          HH11      ARG  41 -13.721   6.455   0.864
  321   2HH2  ARG  41          HH12      ARG  41 -14.824   5.403   1.687
  322    H    GLU  42           HN       GLU  42  -7.642   5.106  -0.190
  323    HA   GLU  42           HA       GLU  42  -5.538   4.277  -2.151
  324   1HB   GLU  42           HB2      GLU  42  -5.740   6.555  -2.650
  325   2HB   GLU  42           HB1      GLU  42  -6.175   6.978  -0.996
  326   1HG   GLU  42           HG2      GLU  42  -3.458   5.827  -1.431
  327   2HG   GLU  42           HG1      GLU  42  -3.734   7.477  -1.989
  328    H    ALA  43           HN       ALA  43  -3.532   3.682  -1.150
  329    HA   ALA  43           HA       ALA  43  -3.557   3.685   1.862
  330   1HB   ALA  43           HB3      ALA  43  -3.797   1.488   0.224
  331   2HB   ALA  43           HB2      ALA  43  -2.048   1.562   0.435
  332   3HB   ALA  43           HB1      ALA  43  -3.100   1.431   1.844
  333    H    VAL  44           HN       VAL  44  -1.688   4.640   2.723
  334    HA   VAL  44           HA       VAL  44   0.421   5.345   0.723
  335    HB   VAL  44           HB       VAL  44  -0.918   6.628   2.996
  336   1HG1  VAL  44          HG12      VAL  44   1.350   6.192   4.004
  337   2HG1  VAL  44          HG11      VAL  44   2.063   7.091   2.665
  338   3HG1  VAL  44          HG13      VAL  44   0.989   7.907   3.802
  339   1HG2  VAL  44          HG22      VAL  44  -0.243   7.159   0.343
  340   2HG2  VAL  44          HG21      VAL  44  -1.021   8.272   1.468
  341   3HG2  VAL  44          HG23      VAL  44   0.733   8.289   1.282
  342    H    VAL  45           HN       VAL  45   2.584   4.826   1.144
  343    HA   VAL  45           HA       VAL  45   3.105   3.203   3.594
  344    HB   VAL  45           HB       VAL  45   4.479   2.113   1.310
  345   1HG1  VAL  45          HG13      VAL  45   3.607   1.150   3.610
  346   2HG1  VAL  45          HG12      VAL  45   2.170   0.767   2.661
  347   3HG1  VAL  45          HG11      VAL  45   3.738   0.107   2.195
  348   1HG2  VAL  45          HG21      VAL  45   2.482   3.175   0.106
  349   2HG2  VAL  45          HG23      VAL  45   2.678   1.436  -0.112
  350   3HG2  VAL  45          HG22      VAL  45   1.465   2.052   1.010
  351    H    THR  46           HN       THR  46   5.470   2.546   3.571
  352    HA   THR  46           HA       THR  46   7.407   4.466   2.474
  353    HB   THR  46           HB       THR  46   6.498   4.274   5.334
  354    HG1  THR  46           HG1      THR  46   7.616   6.499   4.045
  355   1HG2  THR  46          HG22      THR  46   9.296   4.339   4.418
  356   2HG2  THR  46          HG21      THR  46   8.878   5.628   5.547
  357   3HG2  THR  46          HG23      THR  46   8.643   3.942   6.007
  358    H    PHE  47           HN       PHE  47   9.470   3.349   2.337
  359    HA   PHE  47           HA       PHE  47   9.777   0.852   3.843
  360   1HB   PHE  47           HB2      PHE  47   9.599  -0.576   1.850
  361   2HB   PHE  47           HB1      PHE  47   8.104   0.327   2.100
  362    HD1  PHE  47           HD2      PHE  47  11.293   0.292   0.138
  363    HD2  PHE  47           HD1      PHE  47   7.313   1.882   0.503
  364    HE1  PHE  47           HE2      PHE  47  11.495   1.298  -2.105
  365    HE2  PHE  47           HE1      PHE  47   7.514   2.889  -1.752
  366    HZ   PHE  47           HZ       PHE  47   9.596   2.597  -3.057
  367    H    ASP  48           HN       ASP  48  11.522  -0.519   2.648
  368    HA   ASP  48           HA       ASP  48  13.794   1.318   2.051
  369   1HB   ASP  48           HB2      ASP  48  13.390  -1.223   3.519
  370   2HB   ASP  48           HB1      ASP  48  14.856  -1.166   2.539
  371    H    ASP  49           HN       ASP  49  14.145   1.441  -0.122
  372    HA   ASP  49           HA       ASP  49  12.952  -0.289  -2.041
  373   1HB   ASP  49           HB2      ASP  49  13.766   2.027  -2.396
  374   2HB   ASP  49           HB1      ASP  49  15.427   1.450  -2.255
  375    H    THR  50           HN       THR  50  15.583  -0.914   0.000
  376    HA   THR  50           HA       THR  50  17.172  -2.565  -1.796
  377    HB   THR  50           HB       THR  50  17.957  -1.369   0.276
  378    HG1  THR  50           HG1      THR  50  18.991  -3.275  -0.662
  379   1HG2  THR  50          HG22      THR  50  15.789  -2.860   1.409
  380   2HG2  THR  50          HG21      THR  50  17.287  -3.360   2.194
  381   3HG2  THR  50          HG23      THR  50  16.819  -1.660   2.189
  382    H    LYS  51           HN       LYS  51  14.317  -3.087   0.148
  383    HA   LYS  51           HA       LYS  51  14.473  -6.009  -0.494
  384   1HB   LYS  51           HB2      LYS  51  14.276  -4.571   2.021
  385   2HB   LYS  51           HB1      LYS  51  12.908  -5.665   1.815
  386   1HG   LYS  51           HG2      LYS  51  14.266  -7.562   1.712
  387   2HG   LYS  51           HG1      LYS  51  15.684  -6.641   1.211
  388   1HD   LYS  51           HD2      LYS  51  15.913  -7.368   3.552
  389   2HD   LYS  51           HD1      LYS  51  15.803  -5.610   3.457
  390   1HE   LYS  51           HE2      LYS  51  13.768  -5.552   4.516
  391   2HE   LYS  51           HE1      LYS  51  13.213  -7.049   3.741
  392   1HZ   LYS  51           HZ3      LYS  51  15.001  -8.180   5.115
  393   2HZ   LYS  51           HZ2      LYS  51  15.068  -6.750   6.030
  394   3HZ   LYS  51           HZ1      LYS  51  13.627  -7.647   5.956
  395    H    ALA  52           HN       ALA  52  12.745  -3.141  -0.894
  396    HA   ALA  52           HA       ALA  52  10.454  -4.594  -2.056
  397   1HB   ALA  52           HB3      ALA  52  10.429  -3.085   0.515
  398   2HB   ALA  52           HB2      ALA  52   9.044  -2.857  -0.552
  399   3HB   ALA  52           HB1      ALA  52   9.459  -4.472   0.021
  400    H    SER  53           HN       SER  53   8.735  -2.550  -2.518
  401    HA   SER  53           HA       SER  53   9.804   0.000  -3.192
  402   1HB   SER  53           HB2      SER  53  11.310  -1.157  -4.663
  403   2HB   SER  53           HB1      SER  53  10.022  -2.193  -5.270
  404    HG   SER  53           HG       SER  53   9.225  -0.544  -6.428
  405    H    VAL  54           HN       VAL  54   8.314   1.127  -4.820
  406    HA   VAL  54           HA       VAL  54   5.630   0.987  -4.205
  407    HB   VAL  54           HB       VAL  54   6.540   2.738  -5.596
  408   1HG1  VAL  54          HG12      VAL  54   8.218   1.146  -6.686
  409   2HG1  VAL  54          HG11      VAL  54   6.922   0.688  -7.790
  410   3HG1  VAL  54          HG13      VAL  54   7.502   2.353  -7.754
  411   1HG2  VAL  54          HG21      VAL  54   4.131   1.641  -6.030
  412   2HG2  VAL  54          HG23      VAL  54   4.726   2.982  -7.009
  413   3HG2  VAL  54          HG22      VAL  54   4.842   1.331  -7.613
  414    H    GLN  55           HN       GLN  55   7.316  -0.954  -6.682
  415    HA   GLN  55           HA       GLN  55   5.100  -2.245  -7.855
  416   1HB   GLN  55           HB2      GLN  55   7.861  -2.366  -7.956
  417   2HB   GLN  55           HB1      GLN  55   7.434  -3.956  -7.322
  418   1HG   GLN  55           HG2      GLN  55   5.687  -4.043  -9.216
  419   2HG   GLN  55           HG1      GLN  55   6.565  -2.685  -9.919
  420   1HE2  GLN  55          HE22      GLN  55   9.556  -4.688 -10.486
  421   2HE2  GLN  55          HE21      GLN  55   9.114  -3.139  -9.951
  422    H    LYS  56           HN       LYS  56   6.984  -3.234  -4.977
  423    HA   LYS  56           HA       LYS  56   5.257  -5.497  -4.410
  424   1HB   LYS  56           HB2      LYS  56   7.296  -4.028  -2.708
  425   2HB   LYS  56           HB1      LYS  56   6.665  -5.645  -2.394
  426   1HG   LYS  56           HG2      LYS  56   8.170  -4.841  -4.901
  427   2HG   LYS  56           HG1      LYS  56   8.880  -5.701  -3.534
  428   1HD   LYS  56           HD2      LYS  56   7.995  -7.672  -4.193
  429   2HD   LYS  56           HD1      LYS  56   6.407  -6.952  -4.457
  430   1HE   LYS  56           HE2      LYS  56   7.139  -6.095  -6.652
  431   2HE   LYS  56           HE1      LYS  56   8.749  -6.795  -6.390
  432   1HZ   LYS  56           HZ2      LYS  56   7.172  -8.868  -5.799
  433   2HZ   LYS  56           HZ1      LYS  56   6.242  -8.118  -7.007
  434   3HZ   LYS  56           HZ3      LYS  56   7.832  -8.603  -7.342
  435    H    LEU  57           HN       LEU  57   5.044  -2.081  -3.661
  436    HA   LEU  57           HA       LEU  57   3.416  -2.438  -1.259
  437   1HB   LEU  57           HB2      LEU  57   3.638  -0.101  -3.189
  438   2HB   LEU  57           HB1      LEU  57   3.059  -0.030  -1.527
  439    HG   LEU  57           HG       LEU  57   5.861  -0.840  -2.353
  440   1HD1  LEU  57          HD13      LEU  57   4.609   1.715  -2.115
  441   2HD1  LEU  57          HD12      LEU  57   5.727   1.532  -0.764
  442   3HD1  LEU  57          HD11      LEU  57   6.309   1.361  -2.420
  443   1HD2  LEU  57          HD21      LEU  57   4.354  -1.106   0.116
  444   2HD2  LEU  57          HD23      LEU  57   5.983  -1.675  -0.253
  445   3HD2  LEU  57          HD22      LEU  57   5.737  -0.036   0.351
  446    H    THR  58           HN       THR  58   2.679  -1.295  -4.578
  447    HA   THR  58           HA       THR  58  -0.152  -1.479  -4.397
  448    HB   THR  58           HB       THR  58   1.910  -1.614  -6.600
  449    HG1  THR  58           HG1      THR  58   1.319   0.363  -5.536
  450   1HG2  THR  58          HG22      THR  58  -0.004  -3.054  -7.279
  451   2HG2  THR  58          HG21      THR  58  -1.095  -1.698  -6.993
  452   3HG2  THR  58          HG23      THR  58   0.122  -1.597  -8.265
  453    H    LYS  59           HN       LYS  59   2.334  -3.913  -5.053
  454    HA   LYS  59           HA       LYS  59   0.516  -5.981  -5.895
  455   1HB   LYS  59           HB2      LYS  59   2.780  -6.126  -6.586
  456   2HB   LYS  59           HB1      LYS  59   3.376  -5.807  -4.957
  457   1HG   LYS  59           HG2      LYS  59   2.915  -7.969  -4.217
  458   2HG   LYS  59           HG1      LYS  59   1.689  -8.240  -5.456
  459   1HD   LYS  59           HD2      LYS  59   4.624  -7.893  -6.103
  460   2HD   LYS  59           HD1      LYS  59   3.888  -9.470  -5.816
  461   1HE   LYS  59           HE2      LYS  59   2.139  -8.276  -7.624
  462   2HE   LYS  59           HE1      LYS  59   3.744  -7.781  -8.201
  463   1HZ   LYS  59           HZ2      LYS  59   3.380 -10.537  -7.269
  464   2HZ   LYS  59           HZ1      LYS  59   2.775 -10.130  -8.803
  465   3HZ   LYS  59           HZ3      LYS  59   4.424  -9.931  -8.464
  466    H    ALA  60           HN       ALA  60   1.878  -4.937  -2.808
  467    HA   ALA  60           HA       ALA  60   1.108  -7.211  -1.265
  468   1HB   ALA  60           HB2      ALA  60   2.313  -4.627  -0.937
  469   2HB   ALA  60           HB1      ALA  60   1.067  -4.826   0.295
  470   3HB   ALA  60           HB3      ALA  60   2.372  -6.004   0.164
  471    H    THR  61           HN       THR  61  -0.467  -4.067  -1.864
  472    HA   THR  61           HA       THR  61  -2.846  -4.670  -0.345
  473    HB   THR  61           HB       THR  61  -2.095  -2.388  -0.901
  474    HG1  THR  61           HG1      THR  61  -4.103  -1.703  -1.964
  475   1HG2  THR  61          HG21      THR  61  -2.494  -3.338  -3.742
  476   2HG2  THR  61          HG23      THR  61  -2.373  -1.635  -3.309
  477   3HG2  THR  61          HG22      THR  61  -1.015  -2.719  -3.010
  478    H    ALA  62           HN       ALA  62  -1.733  -5.114  -3.585
  479    HA   ALA  62           HA       ALA  62  -4.169  -5.907  -4.856
  480   1HB   ALA  62           HB2      ALA  62  -1.248  -6.046  -5.299
  481   2HB   ALA  62           HB1      ALA  62  -2.169  -7.304  -6.123
  482   3HB   ALA  62           HB3      ALA  62  -2.528  -5.605  -6.429
  483    H    ASP  63           HN       ASP  63  -1.819  -7.567  -2.833
  484    HA   ASP  63           HA       ASP  63  -3.067 -10.208  -3.244
  485   1HB   ASP  63           HB2      ASP  63  -0.575  -9.680  -2.914
  486   2HB   ASP  63           HB1      ASP  63  -0.972  -9.352  -1.227
  487    H    ALA  64           HN       ALA  64  -3.478  -7.454  -1.263
  488    HA   ALA  64           HA       ALA  64  -4.508  -8.785   1.117
  489   1HB   ALA  64           HB1      ALA  64  -3.575  -6.302   0.497
  490   2HB   ALA  64           HB3      ALA  64  -5.311  -6.011   0.388
  491   3HB   ALA  64           HB2      ALA  64  -4.611  -6.612   1.890
  492    H    GLY  65           HN       GLY  65  -5.684  -7.769  -1.990
  493   1HA   GLY  65           HA2      GLY  65  -7.789  -9.144  -2.586
  494   2HA   GLY  65           HA1      GLY  65  -8.474  -8.399  -1.147
  495    H    TYR  66           HN       TYR  66  -6.359  -6.382  -3.030
  496    HA   TYR  66           HA       TYR  66  -8.700  -5.192  -4.449
  497   1HB   TYR  66           HB2      TYR  66  -6.740  -3.648  -2.744
  498   2HB   TYR  66           HB1      TYR  66  -8.209  -3.032  -3.495
  499    HD1  TYR  66           HD1      TYR  66 -10.372  -4.510  -2.893
  500    HD2  TYR  66           HD2      TYR  66  -6.817  -4.124  -0.543
  501    HE1  TYR  66           HE1      TYR  66 -11.654  -5.111  -0.875
  502    HE2  TYR  66           HE2      TYR  66  -8.082  -4.711   1.484
  503    HH   TYR  66           HH       TYR  66 -10.086  -5.205   2.339
  504    HA   PRO  67           HA       PRO  67  -5.303  -5.201  -7.478
  505   1HB   PRO  67           HB2      PRO  67  -7.214  -4.033  -9.306
  506   2HB   PRO  67           HB1      PRO  67  -6.558  -5.673  -9.325
  507   1HG   PRO  67           HG2      PRO  67  -9.211  -4.861  -8.614
  508   2HG   PRO  67           HG1      PRO  67  -8.538  -6.494  -8.594
  509   1HD   PRO  67           HD2      PRO  67  -9.215  -4.831  -6.333
  510   2HD   PRO  67           HD1      PRO  67  -8.529  -6.475  -6.314
  511    H    SER  68           HN       SER  68  -4.168  -3.449  -6.463
  512    HA   SER  68           HA       SER  68  -5.299  -0.714  -6.872
  513   1HB   SER  68           HB2      SER  68  -4.743  -0.576  -4.693
  514   2HB   SER  68           HB1      SER  68  -3.994  -2.167  -4.759
  515    HG   SER  68           HG       SER  68  -2.731  -0.023  -4.335
  516    H    SER  69           HN       SER  69  -3.104   0.825  -6.652
  517    HA   SER  69           HA       SER  69  -0.960   0.003  -8.495
  518   1HB   SER  69           HB2      SER  69  -1.842   2.397  -9.610
  519   2HB   SER  69           HB1      SER  69  -2.120   0.796 -10.289
  520    HG   SER  69           HG       SER  69  -4.008   2.241  -9.815
  521    H    VAL  70           HN       VAL  70   0.048   2.597  -8.930
  522    HA   VAL  70           HA       VAL  70   0.195   3.731  -6.189
  523    HB   VAL  70           HB       VAL  70   1.940   2.021  -6.866
  524   1HG1  VAL  70          HG12      VAL  70   2.060   3.674  -9.141
  525   2HG1  VAL  70          HG11      VAL  70   3.572   3.959  -8.281
  526   3HG1  VAL  70          HG13      VAL  70   3.126   2.322  -8.762
  527   1HG2  VAL  70          HG22      VAL  70   2.145   4.456  -5.441
  528   2HG2  VAL  70          HG21      VAL  70   3.188   3.045  -5.272
  529   3HG2  VAL  70          HG23      VAL  70   3.621   4.335  -6.394
  530    H    LYS  71           HN       LYS  71   1.020   5.942  -6.138
  531    HA   LYS  71           HA       LYS  71   0.850   7.303  -8.813
  532   1HB   LYS  71           HB2      LYS  71  -0.472   9.077  -7.720
  533   2HB   LYS  71           HB1      LYS  71  -1.265   7.514  -7.524
  534   1HG   LYS  71           HG2      LYS  71   0.109   7.392  -5.300
  535   2HG   LYS  71           HG1      LYS  71   0.227   9.142  -5.489
  536   1HD   LYS  71           HD2      LYS  71  -2.480   8.333  -6.008
  537   2HD   LYS  71           HD1      LYS  71  -1.965   7.652  -4.465
  538   1HE   LYS  71           HE2      LYS  71  -1.907   9.699  -3.459
  539   2HE   LYS  71           HE1      LYS  71  -1.141  10.461  -4.867
  540   1HZ   LYS  71           HZ1      LYS  71  -3.398  10.027  -5.986
  541   2HZ   LYS  71           HZ3      LYS  71  -3.999   9.885  -4.407
  542   3HZ   LYS  71           HZ2      LYS  71  -3.273  11.336  -4.912
  543    H    GLN  72           HN       GLN  72   3.168   6.474  -7.444
  544    HA   GLN  72           HA       GLN  72   4.673   8.955  -7.415
  545   1HB   GLN  72           HB2      GLN  72   3.502   7.861  -4.926
  546   2HB   GLN  72           HB1      GLN  72   5.207   8.301  -4.813
  547   1HG   GLN  72           HG2      GLN  72   4.012  10.397  -6.246
  548   2HG   GLN  72           HG1      GLN  72   2.883  10.032  -4.941
  549   1HE2  GLN  72          HE22      GLN  72   4.879  11.807  -2.660
  550   2HE2  GLN  72          HE21      GLN  72   3.326  11.408  -3.215
   
  No H/Q in entry =         550
  Start of MODEL    5
    1   1H    ALA   1           HT3      ALA   1  17.473   1.397   0.880
    2   2H    ALA   1           HT2      ALA   1  16.831   1.309  -0.691
    3   3H    ALA   1           HT1      ALA   1  18.395   1.925  -0.442
    4    HA   ALA   1           HA       ALA   1  17.639   3.925   0.408
    5   1HB   ALA   1           HB2      ALA   1  16.735   2.904  -2.010
    6   2HB   ALA   1           HB1      ALA   1  15.272   3.569  -1.285
    7   3HB   ALA   1           HB3      ALA   1  16.680   4.602  -1.536
    8    H    THR   2           HN       THR   2  15.196   5.069   0.647
    9    HA   THR   2           HA       THR   2  13.422   3.450   2.315
   10    HB   THR   2           HB       THR   2  13.826   5.702   3.832
   11    HG1  THR   2           HG1      THR   2  16.420   4.859   3.378
   12   1HG2  THR   2          HG21      THR   2  13.995   2.986   4.162
   13   2HG2  THR   2          HG23      THR   2  15.652   3.494   4.489
   14   3HG2  THR   2          HG22      THR   2  14.321   4.168   5.430
   15    H    GLN   3           HN       GLN   3  11.923   3.984   0.597
   16    HA   GLN   3           HA       GLN   3  11.357   6.910   0.248
   17   1HB   GLN   3           HB2      GLN   3  10.483   4.587  -1.477
   18   2HB   GLN   3           HB1      GLN   3  10.546   6.294  -1.919
   19   1HG   GLN   3           HG2      GLN   3  13.041   6.214  -1.512
   20   2HG   GLN   3           HG1      GLN   3  12.890   4.465  -1.340
   21   1HE2  GLN   3          HE22      GLN   3  12.471   3.887  -4.819
   22   2HE2  GLN   3          HE21      GLN   3  12.372   3.210  -3.265
   23    H    THR   4           HN       THR   4   9.030   7.431  -0.265
   24    HA   THR   4           HA       THR   4   7.039   5.707   1.130
   25    HB   THR   4           HB       THR   4   7.876   7.235   2.822
   26    HG1  THR   4           HG1      THR   4   5.442   7.083   2.159
   27   1HG2  THR   4          HG21      THR   4   8.760   8.833   0.977
   28   2HG2  THR   4          HG23      THR   4   7.163   9.576   1.067
   29   3HG2  THR   4          HG22      THR   4   8.201   9.540   2.492
   30    H    VAL   5           HN       VAL   5   5.536   5.421  -0.475
   31    HA   VAL   5           HA       VAL   5   4.763   7.756  -2.201
   32    HB   VAL   5           HB       VAL   5   4.116   5.767  -3.717
   33   1HG1  VAL   5          HG11      VAL   5   6.940   6.562  -3.036
   34   2HG1  VAL   5          HG13      VAL   5   6.588   5.470  -4.375
   35   3HG1  VAL   5          HG12      VAL   5   5.947   7.113  -4.386
   36   1HG2  VAL   5          HG22      VAL   5   4.362   4.084  -1.854
   37   2HG2  VAL   5          HG21      VAL   5   5.245   3.676  -3.326
   38   3HG2  VAL   5          HG23      VAL   5   6.104   4.348  -1.939
   39    H    THR   6           HN       THR   6   2.436   7.522  -2.970
   40    HA   THR   6           HA       THR   6   0.737   6.465  -0.757
   41    HB   THR   6           HB       THR   6  -0.877   8.031  -2.217
   42    HG1  THR   6           HG1      THR   6   1.640   9.247  -2.582
   43   1HG2  THR   6          HG22      THR   6   0.204   8.244   0.199
   44   2HG2  THR   6          HG21      THR   6   1.152   9.502  -0.593
   45   3HG2  THR   6          HG23      THR   6  -0.607   9.617  -0.555
   46    H    LEU   7           HN       LEU   7  -1.263   5.306  -1.550
   47    HA   LEU   7           HA       LEU   7  -0.882   4.215  -4.304
   48   1HB   LEU   7           HB2      LEU   7  -0.725   2.957  -1.677
   49   2HB   LEU   7           HB1      LEU   7  -1.920   2.165  -2.702
   50    HG   LEU   7           HG       LEU   7  -0.325   1.687  -4.377
   51   1HD1  LEU   7          HD13      LEU   7   1.356   3.752  -2.996
   52   2HD1  LEU   7          HD12      LEU   7   2.076   2.569  -4.088
   53   3HD1  LEU   7          HD11      LEU   7   0.855   3.685  -4.680
   54   1HD2  LEU   7          HD21      LEU   7   0.569   1.223  -1.582
   55   2HD2  LEU   7          HD23      LEU   7   0.262   0.055  -2.868
   56   3HD2  LEU   7          HD22      LEU   7   1.777   0.956  -2.838
   57    H    ALA   8           HN       ALA   8  -2.825   3.503  -5.309
   58    HA   ALA   8           HA       ALA   8  -5.282   4.759  -4.135
   59   1HB   ALA   8           HB1      ALA   8  -4.055   4.495  -6.805
   60   2HB   ALA   8           HB3      ALA   8  -5.799   4.230  -6.784
   61   3HB   ALA   8           HB2      ALA   8  -5.129   5.748  -6.184
   62    H    VAL   9           HN       VAL   9  -6.312   3.121  -3.006
   63    HA   VAL   9           HA       VAL   9  -6.701   0.493  -4.395
   64    HB   VAL   9           HB       VAL   9  -5.579   0.128  -2.348
   65   1HG1  VAL   9          HG11      VAL   9  -7.340   2.345  -1.294
   66   2HG1  VAL   9          HG13      VAL   9  -6.476   1.261  -0.204
   67   3HG1  VAL   9          HG12      VAL   9  -5.578   2.272  -1.335
   68   1HG2  VAL   9          HG22      VAL   9  -8.311  -0.623  -2.530
   69   2HG2  VAL   9          HG21      VAL   9  -7.036  -1.409  -1.602
   70   3HG2  VAL   9          HG23      VAL   9  -8.019  -0.150  -0.857
   71    HA   PRO  10           HA       PRO  10 -10.870   2.401  -4.464
   72   1HB   PRO  10           HB2      PRO  10 -11.478   1.057  -6.846
   73   2HB   PRO  10           HB1      PRO  10 -10.866   2.709  -6.717
   74   1HG   PRO  10           HG2      PRO  10  -9.495   0.324  -7.690
   75   2HG   PRO  10           HG1      PRO  10  -8.995   2.015  -7.802
   76   1HD   PRO  10           HD2      PRO  10  -7.958  -0.013  -6.036
   77   2HD   PRO  10           HD1      PRO  10  -7.485   1.700  -6.129
   78    H    GLY  11           HN       GLY  11 -10.078  -0.137  -3.007
   79   1HA   GLY  11           HA2      GLY  11 -11.795  -2.279  -3.819
   80   2HA   GLY  11           HA1      GLY  11 -11.113  -2.074  -2.204
   81    H    MET  12           HN       MET  12 -12.177  -0.060  -1.033
   82    HA   MET  12           HA       MET  12 -14.139   0.750  -0.005
   83   1HB   MET  12           HB2      MET  12 -14.965   0.413  -2.907
   84   2HB   MET  12           HB1      MET  12 -15.964   1.236  -1.708
   85   1HG   MET  12           HG2      MET  12 -14.587   3.062  -1.610
   86   2HG   MET  12           HG1      MET  12 -13.128   2.101  -1.857
   87   1HE   MET  12           HE2      MET  12 -16.267   3.339  -3.025
   88   2HE   MET  12           HE1      MET  12 -15.798   4.396  -4.355
   89   3HE   MET  12           HE3      MET  12 -16.418   2.772  -4.686
   90    H    THR  13           HN       THR  13 -13.673  -1.886   0.442
   91    HA   THR  13           HA       THR  13 -16.062  -3.470  -0.193
   92    HB   THR  13           HB       THR  13 -13.386  -3.921   0.330
   93    HG1  THR  13           HG1      THR  13 -14.855  -5.289  -0.762
   94   1HG2  THR  13          HG23      THR  13 -14.961  -4.823   2.747
   95   2HG2  THR  13          HG22      THR  13 -13.300  -5.278   2.373
   96   3HG2  THR  13          HG21      THR  13 -13.694  -3.596   2.733
   97    H    CYS  14           HN       CYS  14 -15.724  -0.919   1.710
   98    HA   CYS  14           HA       CYS  14 -17.099  -0.095   3.428
   99   1HB   CYS  14           HB2      CYS  14 -18.373  -2.401   2.495
  100   2HB   CYS  14           HB1      CYS  14 -18.271  -2.644   4.239
  101    HG   CYS  14           HG       CYS  14 -20.437  -1.194   3.523
  102    H    ALA  15           HN       ALA  15 -15.398   0.351   4.825
  103    HA   ALA  15           HA       ALA  15 -14.059   0.130   6.752
  104   1HB   ALA  15           HB1      ALA  15 -16.428  -0.245   7.546
  105   2HB   ALA  15           HB3      ALA  15 -16.127  -1.978   7.421
  106   3HB   ALA  15           HB2      ALA  15 -15.195  -1.001   8.555
  107    H    ALA  16           HN       ALA  16 -13.141  -1.445   4.529
  108    HA   ALA  16           HA       ALA  16 -11.552  -3.412   6.017
  109   1HB   ALA  16           HB2      ALA  16 -13.980  -4.137   4.563
  110   2HB   ALA  16           HB1      ALA  16 -12.572  -5.063   4.041
  111   3HB   ALA  16           HB3      ALA  16 -13.053  -5.071   5.736
  112    H    CYS  17           HN       CYS  17 -12.390  -1.920   2.904
  113    HA   CYS  17           HA       CYS  17 -10.417  -2.950   1.223
  114   1HB   CYS  17           HB2      CYS  17 -11.704  -1.481   0.075
  115   2HB   CYS  17           HB1      CYS  17 -12.071  -0.551   1.520
  116    HG   CYS  17           HG       CYS  17  -9.817   0.772   1.153
  117    HA   PRO  18           HA       PRO  18  -7.251   0.246   2.964
  118   1HB   PRO  18           HB2      PRO  18  -8.078   1.452   5.354
  119   2HB   PRO  18           HB1      PRO  18  -8.145   2.180   3.746
  120   1HG   PRO  18           HG2      PRO  18 -10.341   1.221   5.416
  121   2HG   PRO  18           HG1      PRO  18 -10.400   2.217   3.960
  122   1HD   PRO  18           HD2      PRO  18 -11.083  -0.561   4.200
  123   2HD   PRO  18           HD1      PRO  18 -11.049   0.426   2.719
  124    H    ILE  19           HN       ILE  19  -8.900  -2.095   4.831
  125    HA   ILE  19           HA       ILE  19  -6.868  -2.207   6.981
  126    HB   ILE  19           HB       ILE  19  -9.434  -3.656   6.300
  127   1HG1  ILE  19          HG12      ILE  19  -9.576  -1.411   7.339
  128   2HG1  ILE  19          HG11      ILE  19 -10.154  -2.661   8.443
  129   1HG2  ILE  19          HG22      ILE  19  -7.198  -4.534   7.999
  130   2HG2  ILE  19          HG21      ILE  19  -8.748  -4.492   8.838
  131   3HG2  ILE  19          HG23      ILE  19  -8.563  -5.459   7.374
  132   1HD1  ILE  19          HD13      ILE  19  -7.331  -2.402   8.803
  133   2HD1  ILE  19          HD12      ILE  19  -8.039  -0.788   8.862
  134   3HD1  ILE  19          HD11      ILE  19  -8.614  -2.044   9.959
  135    H    THR  20           HN       THR  20  -8.017  -4.148   4.249
  136    HA   THR  20           HA       THR  20  -6.148  -6.317   4.598
  137    HB   THR  20           HB       THR  20  -8.146  -5.278   2.658
  138    HG1  THR  20           HG1      THR  20  -8.875  -6.845   3.934
  139   1HG2  THR  20          HG21      THR  20  -6.157  -5.643   1.218
  140   2HG2  THR  20          HG23      THR  20  -6.071  -7.307   1.798
  141   3HG2  THR  20          HG22      THR  20  -7.465  -6.770   0.861
  142    H    VAL  21           HN       VAL  21  -6.161  -3.208   2.939
  143    HA   VAL  21           HA       VAL  21  -3.750  -3.658   1.421
  144    HB   VAL  21           HB       VAL  21  -5.424  -1.288   2.283
  145   1HG1  VAL  21          HG13      VAL  21  -2.905  -0.792   1.911
  146   2HG1  VAL  21          HG12      VAL  21  -3.244  -1.132   0.214
  147   3HG1  VAL  21          HG11      VAL  21  -4.084   0.182   1.033
  148   1HG2  VAL  21          HG22      VAL  21  -5.138  -3.003  -0.158
  149   2HG2  VAL  21          HG21      VAL  21  -6.602  -2.417   0.630
  150   3HG2  VAL  21          HG23      VAL  21  -5.635  -1.322  -0.357
  151    H    LYS  22           HN       LYS  22  -4.599  -2.139   4.506
  152    HA   LYS  22           HA       LYS  22  -2.155  -1.002   5.282
  153   1HB   LYS  22           HB2      LYS  22  -4.547  -1.276   6.397
  154   2HB   LYS  22           HB1      LYS  22  -3.778  -2.643   7.204
  155   1HG   LYS  22           HG2      LYS  22  -2.581   0.137   7.166
  156   2HG   LYS  22           HG1      LYS  22  -3.629  -0.443   8.461
  157   1HD   LYS  22           HD2      LYS  22  -2.003  -2.458   8.593
  158   2HD   LYS  22           HD1      LYS  22  -0.897  -1.442   7.667
  159   1HE   LYS  22           HE2      LYS  22  -1.037   0.315   9.396
  160   2HE   LYS  22           HE1      LYS  22  -2.161  -0.692  10.330
  161   1HZ   LYS  22           HZ3      LYS  22  -0.430  -2.481  10.195
  162   2HZ   LYS  22           HZ2      LYS  22   0.649  -1.311   9.601
  163   3HZ   LYS  22           HZ1      LYS  22  -0.006  -1.152  11.161
  164    H    LYS  23           HN       LYS  23  -3.235  -4.382   5.813
  165    HA   LYS  23           HA       LYS  23  -0.638  -5.199   6.853
  166   1HB   LYS  23           HB2      LYS  23  -2.966  -6.843   5.829
  167   2HB   LYS  23           HB1      LYS  23  -1.713  -7.381   6.948
  168   1HG   LYS  23           HG2      LYS  23  -2.898  -4.964   7.960
  169   2HG   LYS  23           HG1      LYS  23  -4.175  -6.123   7.585
  170   1HD   LYS  23           HD2      LYS  23  -1.705  -6.792   9.206
  171   2HD   LYS  23           HD1      LYS  23  -3.264  -6.363   9.912
  172   1HE   LYS  23           HE2      LYS  23  -3.236  -8.533   7.848
  173   2HE   LYS  23           HE1      LYS  23  -2.633  -8.921   9.472
  174   1HZ   LYS  23           HZ2      LYS  23  -4.733  -7.555  10.177
  175   2HZ   LYS  23           HZ1      LYS  23  -5.305  -8.029   8.649
  176   3HZ   LYS  23           HZ3      LYS  23  -4.869  -9.204   9.791
  177    H    ALA  24           HN       ALA  24  -2.130  -5.115   3.717
  178    HA   ALA  24           HA       ALA  24  -0.592  -7.077   2.374
  179   1HB   ALA  24           HB2      ALA  24  -2.571  -5.157   1.828
  180   2HB   ALA  24           HB1      ALA  24  -1.238  -4.773   0.739
  181   3HB   ALA  24           HB3      ALA  24  -1.959  -6.382   0.718
  182    H    LEU  25           HN       LEU  25  -0.127  -3.532   2.354
  183    HA   LEU  25           HA       LEU  25   2.502  -3.719   1.143
  184   1HB   LEU  25           HB2      LEU  25   1.094  -1.456   2.581
  185   2HB   LEU  25           HB1      LEU  25   2.402  -1.300   1.406
  186    HG   LEU  25           HG       LEU  25   0.597  -2.853   0.039
  187   1HD1  LEU  25          HD11      LEU  25  -0.825  -1.389   2.131
  188   2HD1  LEU  25          HD13      LEU  25  -1.416  -1.024   0.511
  189   3HD1  LEU  25          HD12      LEU  25  -1.391  -2.692   1.084
  190   1HD2  LEU  25          HD23      LEU  25   1.890  -0.732  -0.594
  191   2HD2  LEU  25          HD22      LEU  25   0.295  -0.925  -1.320
  192   3HD2  LEU  25          HD21      LEU  25   0.515   0.165   0.048
  193    H    SER  26           HN       SER  26   1.309  -3.429   4.469
  194    HA   SER  26           HA       SER  26   3.860  -2.694   5.643
  195   1HB   SER  26           HB2      SER  26   2.007  -2.290   7.017
  196   2HB   SER  26           HB1      SER  26   1.203  -3.782   6.544
  197    HG   SER  26           HG       SER  26   3.649  -3.897   7.909
  198    H    LYS  27           HN       LYS  27   2.489  -5.624   4.407
  199    HA   LYS  27           HA       LYS  27   4.695  -7.183   5.676
  200   1HB   LYS  27           HB2      LYS  27   1.884  -7.845   4.829
  201   2HB   LYS  27           HB1      LYS  27   3.078  -9.122   5.025
  202   1HG   LYS  27           HG2      LYS  27   1.717  -8.700   7.093
  203   2HG   LYS  27           HG1      LYS  27   3.452  -8.506   7.335
  204   1HD   LYS  27           HD2      LYS  27   3.313  -6.200   7.517
  205   2HD   LYS  27           HD1      LYS  27   1.846  -6.108   6.540
  206   1HE   LYS  27           HE2      LYS  27   1.528  -5.691   9.050
  207   2HE   LYS  27           HE1      LYS  27   0.491  -6.951   8.353
  208   1HZ   LYS  27           HZ1      LYS  27   3.164  -7.535   9.491
  209   2HZ   LYS  27           HZ3      LYS  27   1.751  -7.595  10.428
  210   3HZ   LYS  27           HZ2      LYS  27   1.931  -8.637   9.098
  211    H    VAL  28           HN       VAL  28   3.807  -5.730   2.832
  212    HA   VAL  28           HA       VAL  28   4.106  -7.491   0.723
  213    HB   VAL  28           HB       VAL  28   3.784  -5.006   0.649
  214   1HG1  VAL  28          HG13      VAL  28   5.692  -4.584   2.288
  215   2HG1  VAL  28          HG12      VAL  28   6.792  -4.860   0.938
  216   3HG1  VAL  28          HG11      VAL  28   5.646  -3.521   0.881
  217   1HG2  VAL  28          HG23      VAL  28   5.986  -6.252  -1.014
  218   2HG2  VAL  28          HG22      VAL  28   4.280  -6.090  -1.433
  219   3HG2  VAL  28          HG21      VAL  28   5.311  -4.660  -1.362
  220    H    GLU  29           HN       GLU  29   6.778  -6.078   2.654
  221    HA   GLU  29           HA       GLU  29   8.462  -8.293   2.757
  222   1HB   GLU  29           HB2      GLU  29   8.222  -7.139   0.083
  223   2HB   GLU  29           HB1      GLU  29   9.900  -7.218   0.625
  224   1HG   GLU  29           HG2      GLU  29   8.637  -9.645   1.405
  225   2HG   GLU  29           HG1      GLU  29   8.228  -9.358  -0.286
  226    H    GLY  30           HN       GLY  30   9.727  -5.429   1.142
  227   1HA   GLY  30           HA2      GLY  30  11.501  -4.911   3.403
  228   2HA   GLY  30           HA1      GLY  30  11.476  -4.023   1.882
  229    H    VAL  31           HN       VAL  31   8.338  -3.978   2.732
  230    HA   VAL  31           HA       VAL  31   8.171  -1.244   3.365
  231    HB   VAL  31           HB       VAL  31   6.334  -2.870   2.748
  232   1HG1  VAL  31          HG11      VAL  31   7.223  -4.349   4.820
  233   2HG1  VAL  31          HG13      VAL  31   5.939  -3.458   5.637
  234   3HG1  VAL  31          HG12      VAL  31   5.566  -4.447   4.225
  235   1HG2  VAL  31          HG23      VAL  31   6.190  -0.506   4.067
  236   2HG2  VAL  31          HG22      VAL  31   4.765  -1.430   3.592
  237   3HG2  VAL  31          HG21      VAL  31   5.388  -1.554   5.237
  238    H    SER  32           HN       SER  32   8.258  -0.067   5.168
  239    HA   SER  32           HA       SER  32   9.098  -1.435   7.692
  240   1HB   SER  32           HB2      SER  32   9.850   1.388   7.132
  241   2HB   SER  32           HB1      SER  32  10.800   0.108   7.881
  242    HG   SER  32           HG       SER  32  11.193   0.922   5.547
  243    H    LYS  33           HN       LYS  33   6.825   0.587   6.149
  244    HA   LYS  33           HA       LYS  33   5.231   0.858   8.559
  245   1HB   LYS  33           HB2      LYS  33   6.703   2.447   9.377
  246   2HB   LYS  33           HB1      LYS  33   7.168   2.995   7.768
  247   1HG   LYS  33           HG2      LYS  33   5.323   4.393   7.562
  248   2HG   LYS  33           HG1      LYS  33   4.353   3.446   8.691
  249   1HD   LYS  33           HD2      LYS  33   4.878   5.316   9.986
  250   2HD   LYS  33           HD1      LYS  33   6.163   4.196  10.441
  251   1HE   LYS  33           HE2      LYS  33   7.721   5.648   9.674
  252   2HE   LYS  33           HE1      LYS  33   6.959   5.644   8.070
  253   1HZ   LYS  33           HZ2      LYS  33   5.275   7.184   8.942
  254   2HZ   LYS  33           HZ1      LYS  33   6.108   7.254  10.420
  255   3HZ   LYS  33           HZ3      LYS  33   6.836   7.851   9.009
  256    H    VAL  34           HN       VAL  34   3.331   0.503   7.417
  257    HA   VAL  34           HA       VAL  34   2.827   2.259   5.045
  258    HB   VAL  34           HB       VAL  34   2.970  -0.352   4.960
  259   1HG1  VAL  34          HG11      VAL  34   1.287  -0.460   6.932
  260   2HG1  VAL  34          HG13      VAL  34   0.061  -0.099   5.717
  261   3HG1  VAL  34          HG12      VAL  34   1.040  -1.559   5.576
  262   1HG2  VAL  34          HG23      VAL  34   1.489   1.623   3.531
  263   2HG2  VAL  34          HG22      VAL  34   2.122   0.092   2.928
  264   3HG2  VAL  34          HG21      VAL  34   0.500   0.166   3.614
  265    H    ASP  35           HN       ASP  35   0.279   2.422   4.698
  266    HA   ASP  35           HA       ASP  35  -1.322   2.573   7.140
  267   1HB   ASP  35           HB2      ASP  35   0.398   4.737   6.383
  268   2HB   ASP  35           HB1      ASP  35  -1.274   5.258   6.165
  269    H    VAL  36           HN       VAL  36  -3.539   3.346   6.628
  270    HA   VAL  36           HA       VAL  36  -4.126   3.355   3.689
  271    HB   VAL  36           HB       VAL  36  -6.166   1.993   4.378
  272   1HG1  VAL  36          HG13      VAL  36  -3.504   1.233   3.885
  273   2HG1  VAL  36          HG12      VAL  36  -4.025   0.236   5.243
  274   3HG1  VAL  36          HG11      VAL  36  -4.936   0.216   3.733
  275   1HG2  VAL  36          HG23      VAL  36  -5.315   2.718   6.933
  276   2HG2  VAL  36          HG22      VAL  36  -6.528   1.495   6.558
  277   3HG2  VAL  36          HG21      VAL  36  -4.847   1.023   6.801
  278    H    GLY  37           HN       GLY  37  -6.157   4.453   3.148
  279   1HA   GLY  37           HA2      GLY  37  -7.373   6.118   5.276
  280   2HA   GLY  37           HA1      GLY  37  -6.638   6.964   3.912
  281    H    PHE  38           HN       PHE  38  -9.493   5.593   5.028
  282    HA   PHE  38           HA       PHE  38 -10.595   4.652   2.509
  283   1HB   PHE  38           HB2      PHE  38 -11.203   4.616   5.254
  284   2HB   PHE  38           HB1      PHE  38 -12.524   5.513   4.505
  285    HD1  PHE  38           HD2      PHE  38 -12.254   4.124   1.750
  286    HD2  PHE  38           HD1      PHE  38 -12.495   2.628   5.768
  287    HE1  PHE  38           HE2      PHE  38 -13.210   2.005   0.903
  288    HE2  PHE  38           HE1      PHE  38 -13.453   0.505   4.918
  289    HZ   PHE  38           HZ       PHE  38 -13.831   0.194   2.489
  290    H    GLU  39           HN       GLU  39 -10.468   7.751   4.172
  291    HA   GLU  39           HA       GLU  39 -12.582   9.139   2.925
  292   1HB   GLU  39           HB2      GLU  39 -11.160  11.127   3.414
  293   2HB   GLU  39           HB1      GLU  39 -11.194   9.990   4.762
  294   1HG   GLU  39           HG2      GLU  39  -9.083   9.020   3.337
  295   2HG   GLU  39           HG1      GLU  39  -8.950  10.745   2.990
  296    H    LYS  40           HN       LYS  40  -9.548   8.036   1.579
  297    HA   LYS  40           HA       LYS  40 -10.305   9.306  -1.026
  298   1HB   LYS  40           HB2      LYS  40  -8.457  10.453   0.357
  299   2HB   LYS  40           HB1      LYS  40  -7.476   9.031   0.001
  300   1HG   LYS  40           HG2      LYS  40  -6.891  10.146  -1.885
  301   2HG   LYS  40           HG1      LYS  40  -8.479   9.662  -2.481
  302   1HD   LYS  40           HD2      LYS  40  -8.339  12.117  -0.789
  303   2HD   LYS  40           HD1      LYS  40  -7.719  12.229  -2.438
  304   1HE   LYS  40           HE2      LYS  40 -10.119  10.830  -2.730
  305   2HE   LYS  40           HE1      LYS  40 -10.489  12.086  -1.532
  306   1HZ   LYS  40           HZ1      LYS  40  -8.999  13.498  -3.162
  307   2HZ   LYS  40           HZ3      LYS  40  -9.566  12.371  -4.295
  308   3HZ   LYS  40           HZ2      LYS  40 -10.670  13.322  -3.420
  309    H    ARG  41           HN       ARG  41 -10.247   6.465   0.363
  310    HA   ARG  41           HA       ARG  41  -9.649   4.258  -0.272
  311   1HB   ARG  41           HB2      ARG  41 -10.926   5.798  -2.330
  312   2HB   ARG  41           HB1      ARG  41  -9.798   4.676  -3.090
  313   1HG   ARG  41           HG2      ARG  41 -11.906   3.528  -2.854
  314   2HG   ARG  41           HG1      ARG  41 -10.795   2.845  -1.666
  315   1HD   ARG  41           HD2      ARG  41 -12.772   3.221  -0.413
  316   2HD   ARG  41           HD1      ARG  41 -11.795   4.654  -0.054
  317    HE   ARG  41           HE       ARG  41 -13.211   5.265  -2.402
  318   1HH1  ARG  41          HH21      ARG  41 -13.911   4.349   0.856
  319   2HH1  ARG  41          HH22      ARG  41 -15.432   5.176   0.897
  320   1HH2  ARG  41          HH11      ARG  41 -15.193   6.341  -2.358
  321   2HH2  ARG  41          HH12      ARG  41 -16.156   6.301  -0.919
  322    H    GLU  42           HN       GLU  42  -7.321   5.463   0.340
  323    HA   GLU  42           HA       GLU  42  -5.452   4.454  -1.748
  324   1HB   GLU  42           HB2      GLU  42  -4.237   6.586  -1.738
  325   2HB   GLU  42           HB1      GLU  42  -5.926   6.883  -2.149
  326   1HG   GLU  42           HG2      GLU  42  -5.766   8.462  -0.505
  327   2HG   GLU  42           HG1      GLU  42  -6.051   7.081   0.555
  328    H    ALA  43           HN       ALA  43  -3.389   3.831  -0.826
  329    HA   ALA  43           HA       ALA  43  -3.276   4.022   2.175
  330   1HB   ALA  43           HB2      ALA  43  -3.141   1.754   0.283
  331   2HB   ALA  43           HB1      ALA  43  -1.852   1.750   1.485
  332   3HB   ALA  43           HB3      ALA  43  -3.539   1.753   2.001
  333    H    VAL  44           HN       VAL  44  -1.292   4.793   2.977
  334    HA   VAL  44           HA       VAL  44   0.754   5.461   0.896
  335    HB   VAL  44           HB       VAL  44  -0.392   7.209   2.380
  336   1HG1  VAL  44          HG13      VAL  44   0.049   5.484   4.395
  337   2HG1  VAL  44          HG12      VAL  44   1.512   6.458   4.544
  338   3HG1  VAL  44          HG11      VAL  44  -0.072   7.225   4.655
  339   1HG2  VAL  44          HG22      VAL  44   1.940   7.346   1.221
  340   2HG2  VAL  44          HG21      VAL  44   1.559   8.528   2.474
  341   3HG2  VAL  44          HG23      VAL  44   2.586   7.145   2.850
  342    H    VAL  45           HN       VAL  45   2.714   4.447   0.982
  343    HA   VAL  45           HA       VAL  45   3.279   2.810   3.414
  344    HB   VAL  45           HB       VAL  45   4.166   2.197   0.602
  345   1HG1  VAL  45          HG13      VAL  45   4.071   0.819   3.245
  346   2HG1  VAL  45          HG12      VAL  45   3.797  -0.165   1.810
  347   3HG1  VAL  45          HG11      VAL  45   5.298   0.742   1.981
  348   1HG2  VAL  45          HG23      VAL  45   1.463   2.078   1.747
  349   2HG2  VAL  45          HG22      VAL  45   1.977   1.931   0.068
  350   3HG2  VAL  45          HG21      VAL  45   2.022   0.524   1.129
  351    H    THR  46           HN       THR  46   5.391   2.556   4.020
  352    HA   THR  46           HA       THR  46   7.457   4.348   2.819
  353    HB   THR  46           HB       THR  46   6.569   3.864   5.664
  354    HG1  THR  46           HG1      THR  46   6.631   6.060   5.718
  355   1HG2  THR  46          HG21      THR  46   9.359   4.317   4.686
  356   2HG2  THR  46          HG23      THR  46   8.848   5.137   6.161
  357   3HG2  THR  46          HG22      THR  46   8.794   3.377   6.068
  358    H    PHE  47           HN       PHE  47   9.545   3.217   2.673
  359    HA   PHE  47           HA       PHE  47   9.819   0.623   3.965
  360   1HB   PHE  47           HB2      PHE  47   9.558  -0.710   1.930
  361   2HB   PHE  47           HB1      PHE  47   8.094   0.231   2.218
  362    HD1  PHE  47           HD2      PHE  47  11.262   0.128   0.225
  363    HD2  PHE  47           HD1      PHE  47   7.375   1.913   0.699
  364    HE1  PHE  47           HE2      PHE  47  11.502   1.226  -1.970
  365    HE2  PHE  47           HE1      PHE  47   7.617   3.012  -1.509
  366    HZ   PHE  47           HZ       PHE  47   9.671   2.669  -2.844
  367    H    ASP  48           HN       ASP  48  11.552  -0.693   2.726
  368    HA   ASP  48           HA       ASP  48  13.795   1.187   2.109
  369   1HB   ASP  48           HB2      ASP  48  13.667  -1.670   3.131
  370   2HB   ASP  48           HB1      ASP  48  15.175  -0.852   2.724
  371    H    ASP  49           HN       ASP  49  14.239   1.302  -0.037
  372    HA   ASP  49           HA       ASP  49  12.974  -0.353  -1.987
  373   1HB   ASP  49           HB2      ASP  49  13.648   1.813  -2.607
  374   2HB   ASP  49           HB1      ASP  49  15.268   1.597  -1.946
  375    H    THR  50           HN       THR  50  15.487  -1.201   0.062
  376    HA   THR  50           HA       THR  50  17.131  -2.745  -1.779
  377    HB   THR  50           HB       THR  50  18.098  -3.561   0.374
  378    HG1  THR  50           HG1      THR  50  16.932  -3.440   2.100
  379   1HG2  THR  50          HG23      THR  50  18.791  -1.386  -0.596
  380   2HG2  THR  50          HG22      THR  50  17.523  -0.585   0.332
  381   3HG2  THR  50          HG21      THR  50  18.863  -1.372   1.166
  382    H    LYS  51           HN       LYS  51  14.183  -3.337   0.024
  383    HA   LYS  51           HA       LYS  51  14.260  -6.192  -0.899
  384   1HB   LYS  51           HB2      LYS  51  13.673  -4.934   1.758
  385   2HB   LYS  51           HB1      LYS  51  12.841  -6.429   1.327
  386   1HG   LYS  51           HG2      LYS  51  15.215  -7.286   0.677
  387   2HG   LYS  51           HG1      LYS  51  15.793  -5.950   1.672
  388   1HD   LYS  51           HD2      LYS  51  14.145  -6.860   3.463
  389   2HD   LYS  51           HD1      LYS  51  14.154  -8.338   2.499
  390   1HE   LYS  51           HE2      LYS  51  16.842  -7.775   2.656
  391   2HE   LYS  51           HE1      LYS  51  16.260  -7.243   4.246
  392   1HZ   LYS  51           HZ2      LYS  51  15.036  -9.344   4.430
  393   2HZ   LYS  51           HZ1      LYS  51  15.706  -9.863   2.958
  394   3HZ   LYS  51           HZ3      LYS  51  16.710  -9.602   4.300
  395    H    ALA  52           HN       ALA  52  12.707  -3.280  -1.219
  396    HA   ALA  52           HA       ALA  52  10.315  -4.546  -2.378
  397   1HB   ALA  52           HB1      ALA  52  10.418  -3.353   0.303
  398   2HB   ALA  52           HB3      ALA  52   9.155  -2.658  -0.713
  399   3HB   ALA  52           HB2      ALA  52   9.187  -4.395  -0.411
  400    H    SER  53           HN       SER  53   8.719  -2.323  -2.654
  401    HA   SER  53           HA       SER  53  10.021   0.134  -3.275
  402   1HB   SER  53           HB2      SER  53  11.335  -1.042  -4.869
  403   2HB   SER  53           HB1      SER  53   9.964  -2.011  -5.402
  404    HG   SER  53           HG       SER  53  10.511  -0.278  -6.841
  405    H    VAL  54           HN       VAL  54   8.583   1.573  -4.523
  406    HA   VAL  54           HA       VAL  54   5.906   1.564  -3.881
  407    HB   VAL  54           HB       VAL  54   7.353   3.282  -5.118
  408   1HG1  VAL  54          HG11      VAL  54   6.352   1.663  -7.484
  409   2HG1  VAL  54          HG13      VAL  54   7.177   3.218  -7.587
  410   3HG1  VAL  54          HG12      VAL  54   8.033   1.804  -6.973
  411   1HG2  VAL  54          HG23      VAL  54   4.566   2.840  -5.025
  412   2HG2  VAL  54          HG22      VAL  54   5.391   4.375  -5.284
  413   3HG2  VAL  54          HG21      VAL  54   4.916   3.385  -6.665
  414    H    GLN  55           HN       GLN  55   7.410  -0.117  -6.625
  415    HA   GLN  55           HA       GLN  55   5.088  -0.982  -7.994
  416   1HB   GLN  55           HB2      GLN  55   7.511  -1.154  -8.670
  417   2HB   GLN  55           HB1      GLN  55   7.684  -2.486  -7.528
  418   1HG   GLN  55           HG2      GLN  55   5.403  -3.107  -9.053
  419   2HG   GLN  55           HG1      GLN  55   6.599  -2.520 -10.211
  420   1HE2  GLN  55          HE22      GLN  55   7.197  -6.182  -9.629
  421   2HE2  GLN  55          HE21      GLN  55   5.870  -5.276 -10.176
  422    H    LYS  56           HN       LYS  56   6.908  -2.633  -5.386
  423    HA   LYS  56           HA       LYS  56   5.069  -4.845  -5.169
  424   1HB   LYS  56           HB2      LYS  56   7.591  -4.202  -4.292
  425   2HB   LYS  56           HB1      LYS  56   6.656  -4.074  -2.801
  426   1HG   LYS  56           HG2      LYS  56   7.497  -6.371  -3.097
  427   2HG   LYS  56           HG1      LYS  56   5.736  -6.338  -3.190
  428   1HD   LYS  56           HD2      LYS  56   5.795  -7.191  -5.270
  429   2HD   LYS  56           HD1      LYS  56   6.830  -5.868  -5.809
  430   1HE   LYS  56           HE2      LYS  56   8.827  -7.064  -5.068
  431   2HE   LYS  56           HE1      LYS  56   7.827  -8.364  -4.389
  432   1HZ   LYS  56           HZ3      LYS  56   7.398  -7.555  -7.178
  433   2HZ   LYS  56           HZ2      LYS  56   8.736  -8.540  -6.821
  434   3HZ   LYS  56           HZ1      LYS  56   7.164  -9.068  -6.449
  435    H    LEU  57           HN       LEU  57   5.074  -1.593  -3.814
  436    HA   LEU  57           HA       LEU  57   3.312  -2.139  -1.583
  437   1HB   LEU  57           HB2      LEU  57   3.685   0.380  -3.233
  438   2HB   LEU  57           HB1      LEU  57   3.079   0.294  -1.582
  439    HG   LEU  57           HG       LEU  57   5.864  -0.522  -2.476
  440   1HD1  LEU  57          HD11      LEU  57   4.734   2.010  -2.001
  441   2HD1  LEU  57          HD13      LEU  57   5.638   1.622  -0.537
  442   3HD1  LEU  57          HD12      LEU  57   6.450   1.620  -2.103
  443   1HD2  LEU  57          HD21      LEU  57   4.358  -0.671   0.122
  444   2HD2  LEU  57          HD23      LEU  57   5.486  -1.833  -0.577
  445   3HD2  LEU  57          HD22      LEU  57   6.091  -0.348   0.158
  446    H    THR  58           HN       THR  58   2.714  -0.634  -4.770
  447    HA   THR  58           HA       THR  58  -0.133  -0.643  -4.637
  448    HB   THR  58           HB       THR  58   1.907  -0.724  -6.878
  449    HG1  THR  58           HG1      THR  58   1.970   1.286  -6.332
  450   1HG2  THR  58          HG21      THR  58  -1.096  -0.655  -6.980
  451   2HG2  THR  58          HG23      THR  58  -0.150   0.167  -8.220
  452   3HG2  THR  58          HG22      THR  58   0.027  -1.573  -7.984
  453    H    LYS  59           HN       LYS  59   2.225  -3.112  -5.509
  454    HA   LYS  59           HA       LYS  59   0.301  -4.953  -6.632
  455   1HB   LYS  59           HB2      LYS  59   2.950  -4.630  -6.834
  456   2HB   LYS  59           HB1      LYS  59   2.939  -5.801  -5.516
  457   1HG   LYS  59           HG2      LYS  59   1.345  -7.186  -6.992
  458   2HG   LYS  59           HG1      LYS  59   1.845  -6.126  -8.311
  459   1HD   LYS  59           HD2      LYS  59   4.221  -6.703  -7.833
  460   2HD   LYS  59           HD1      LYS  59   3.670  -7.835  -6.598
  461   1HE   LYS  59           HE2      LYS  59   2.256  -8.930  -8.450
  462   2HE   LYS  59           HE1      LYS  59   3.243  -7.993  -9.590
  463   1HZ   LYS  59           HZ3      LYS  59   5.122  -8.903  -7.948
  464   2HZ   LYS  59           HZ2      LYS  59   4.016 -10.189  -7.842
  465   3HZ   LYS  59           HZ1      LYS  59   4.647  -9.730  -9.351
  466    H    ALA  60           HN       ALA  60   1.477  -4.181  -3.447
  467    HA   ALA  60           HA       ALA  60   0.764  -6.668  -2.188
  468   1HB   ALA  60           HB1      ALA  60   1.746  -3.983  -1.486
  469   2HB   ALA  60           HB3      ALA  60   0.733  -4.712  -0.239
  470   3HB   ALA  60           HB2      ALA  60   2.184  -5.546  -0.796
  471    H    THR  61           HN       THR  61  -0.810  -3.476  -2.464
  472    HA   THR  61           HA       THR  61  -3.229  -4.330  -1.090
  473    HB   THR  61           HB       THR  61  -2.465  -1.974  -1.233
  474    HG1  THR  61           HG1      THR  61  -4.765  -2.018  -2.812
  475   1HG2  THR  61          HG21      THR  61  -2.951  -2.372  -4.195
  476   2HG2  THR  61          HG23      THR  61  -2.682  -0.805  -3.435
  477   3HG2  THR  61          HG22      THR  61  -1.408  -2.022  -3.416
  478    H    ALA  62           HN       ALA  62  -2.031  -4.153  -4.332
  479    HA   ALA  62           HA       ALA  62  -4.445  -4.736  -5.768
  480   1HB   ALA  62           HB1      ALA  62  -2.347  -3.846  -6.748
  481   2HB   ALA  62           HB3      ALA  62  -1.536  -5.368  -6.378
  482   3HB   ALA  62           HB2      ALA  62  -2.840  -5.329  -7.564
  483    H    ASP  63           HN       ASP  63  -2.039  -6.718  -4.118
  484    HA   ASP  63           HA       ASP  63  -3.301  -9.226  -5.055
  485   1HB   ASP  63           HB2      ASP  63  -0.826  -8.355  -3.619
  486   2HB   ASP  63           HB1      ASP  63  -1.395 -10.001  -3.333
  487    H    ALA  64           HN       ALA  64  -3.690  -6.964  -2.561
  488    HA   ALA  64           HA       ALA  64  -4.489  -8.817  -0.441
  489   1HB   ALA  64           HB1      ALA  64  -3.656  -6.219  -0.582
  490   2HB   ALA  64           HB3      ALA  64  -5.400  -5.988  -0.465
  491   3HB   ALA  64           HB2      ALA  64  -4.541  -6.875   0.795
  492    H    GLY  65           HN       GLY  65  -5.917  -7.193  -3.164
  493   1HA   GLY  65           HA2      GLY  65  -8.056  -8.533  -3.831
  494   2HA   GLY  65           HA1      GLY  65  -8.638  -8.008  -2.256
  495    H    TYR  66           HN       TYR  66  -6.666  -5.667  -3.872
  496    HA   TYR  66           HA       TYR  66  -9.099  -4.334  -4.979
  497   1HB   TYR  66           HB2      TYR  66  -7.003  -2.983  -3.267
  498   2HB   TYR  66           HB1      TYR  66  -8.563  -2.334  -3.763
  499    HD1  TYR  66           HD1      TYR  66 -10.596  -3.987  -3.140
  500    HD2  TYR  66           HD2      TYR  66  -6.823  -3.718  -1.131
  501    HE1  TYR  66           HE1      TYR  66 -11.630  -4.896  -1.092
  502    HE2  TYR  66           HE2      TYR  66  -7.843  -4.610   0.918
  503    HH   TYR  66           HH       TYR  66 -10.374  -6.292   1.140
  504    HA   PRO  67           HA       PRO  67  -5.942  -4.020  -8.254
  505   1HB   PRO  67           HB2      PRO  67  -7.966  -2.486  -9.672
  506   2HB   PRO  67           HB1      PRO  67  -7.340  -4.092 -10.061
  507   1HG   PRO  67           HG2      PRO  67  -9.909  -3.447  -8.994
  508   2HG   PRO  67           HG1      PRO  67  -9.244  -5.054  -9.299
  509   1HD   PRO  67           HD2      PRO  67  -9.736  -3.805  -6.746
  510   2HD   PRO  67           HD1      PRO  67  -9.038  -5.415  -7.056
  511    H    SER  68           HN       SER  68  -4.590  -2.495  -7.171
  512    HA   SER  68           HA       SER  68  -5.644   0.283  -6.906
  513   1HB   SER  68           HB2      SER  68  -4.211   0.437  -5.054
  514   2HB   SER  68           HB1      SER  68  -4.698  -1.256  -5.021
  515    HG   SER  68           HG       SER  68  -2.768  -1.725  -6.173
  516    H    SER  69           HN       SER  69  -3.469   1.763  -6.713
  517    HA   SER  69           HA       SER  69  -1.630   1.351  -8.993
  518   1HB   SER  69           HB2      SER  69  -3.917   2.540  -9.581
  519   2HB   SER  69           HB1      SER  69  -3.192   3.916  -8.753
  520    HG   SER  69           HG       SER  69  -2.834   3.352 -11.202
  521    H    VAL  70           HN       VAL  70  -0.579   3.966  -8.922
  522    HA   VAL  70           HA       VAL  70   0.058   4.397  -6.054
  523    HB   VAL  70           HB       VAL  70   1.527   2.780  -7.376
  524   1HG1  VAL  70          HG13      VAL  70   1.542   4.552  -9.327
  525   2HG1  VAL  70          HG12      VAL  70   2.881   5.251  -8.416
  526   3HG1  VAL  70          HG11      VAL  70   2.986   3.592  -9.005
  527   1HG2  VAL  70          HG21      VAL  70   2.129   4.803  -5.437
  528   2HG2  VAL  70          HG23      VAL  70   2.888   3.225  -5.636
  529   3HG2  VAL  70          HG22      VAL  70   3.522   4.625  -6.501
  530    H    LYS  71           HN       LYS  71   1.200   6.451  -5.646
  531    HA   LYS  71           HA       LYS  71   0.716   8.467  -7.816
  532   1HB   LYS  71           HB2      LYS  71   0.608   9.322  -4.970
  533   2HB   LYS  71           HB1      LYS  71  -0.382   9.846  -6.326
  534   1HG   LYS  71           HG2      LYS  71  -1.142   7.214  -6.059
  535   2HG   LYS  71           HG1      LYS  71  -0.861   7.689  -4.384
  536   1HD   LYS  71           HD2      LYS  71  -2.214   9.828  -5.694
  537   2HD   LYS  71           HD1      LYS  71  -3.078   8.334  -6.056
  538   1HE   LYS  71           HE2      LYS  71  -2.869   7.835  -3.509
  539   2HE   LYS  71           HE1      LYS  71  -2.513   9.566  -3.356
  540   1HZ   LYS  71           HZ3      LYS  71  -4.802   8.592  -4.955
  541   2HZ   LYS  71           HZ2      LYS  71  -4.952   8.875  -3.287
  542   3HZ   LYS  71           HZ1      LYS  71  -4.536  10.148  -4.334
  543    H    GLN  72           HN       GLN  72   3.023   6.890  -6.878
  544    HA   GLN  72           HA       GLN  72   4.954   8.362  -5.440
  545   1HB   GLN  72           HB2      GLN  72   5.219   6.038  -6.107
  546   2HB   GLN  72           HB1      GLN  72   5.196   6.487  -7.812
  547   1HG   GLN  72           HG2      GLN  72   7.195   8.094  -6.730
  548   2HG   GLN  72           HG1      GLN  72   7.413   6.543  -5.918
  549   1HE2  GLN  72          HE22      GLN  72   9.008   6.758  -9.450
  550   2HE2  GLN  72          HE21      GLN  72   8.897   7.973  -8.271
   
  No H/Q in entry =         550
  Start of MODEL    6
    1   1H    ALA   1           HT1      ALA   1  16.869   2.410   1.778
    2   2H    ALA   1           HT3      ALA   1  16.865   2.347   0.083
    3   3H    ALA   1           HT2      ALA   1  18.177   3.050   0.902
    4    HA   ALA   1           HA       ALA   1  17.147   5.021   1.156
    5   1HB   ALA   1           HB1      ALA   1  16.738   3.901  -1.239
    6   2HB   ALA   1           HB3      ALA   1  15.052   4.035  -0.739
    7   3HB   ALA   1           HB2      ALA   1  16.058   5.479  -0.840
    8    H    THR   2           HN       THR   2  14.686   6.036   1.191
    9    HA   THR   2           HA       THR   2  12.865   4.408   2.814
   10    HB   THR   2           HB       THR   2  12.970   6.838   4.115
   11    HG1  THR   2           HG1      THR   2  15.104   7.325   4.384
   12   1HG2  THR   2          HG21      THR   2  14.022   4.101   4.618
   13   2HG2  THR   2          HG23      THR   2  14.530   5.381   5.719
   14   3HG2  THR   2          HG22      THR   2  12.815   5.022   5.516
   15    H    GLN   3           HN       GLN   3  11.503   4.651   0.966
   16    HA   GLN   3           HA       GLN   3  10.770   7.462   0.228
   17   1HB   GLN   3           HB2      GLN   3  10.407   4.805  -1.182
   18   2HB   GLN   3           HB1      GLN   3   9.961   6.374  -1.855
   19   1HG   GLN   3           HG2      GLN   3  12.503   6.921  -1.159
   20   2HG   GLN   3           HG1      GLN   3  12.661   5.188  -1.442
   21   1HE2  GLN   3          HE22      GLN   3  13.250   6.610  -4.760
   22   2HE2  GLN   3          HE21      GLN   3  14.070   6.397  -3.288
   23    H    THR   4           HN       THR   4   8.509   7.895  -0.302
   24    HA   THR   4           HA       THR   4   6.509   6.169   1.099
   25    HB   THR   4           HB       THR   4   7.059   7.880   2.676
   26    HG1  THR   4           HG1      THR   4   4.888   8.890   1.159
   27   1HG2  THR   4          HG22      THR   4   6.959   9.778   0.316
   28   2HG2  THR   4          HG21      THR   4   7.148  10.286   1.995
   29   3HG2  THR   4          HG23      THR   4   8.393   9.302   1.227
   30    H    VAL   5           HN       VAL   5   4.979   5.682  -0.435
   31    HA   VAL   5           HA       VAL   5   4.275   7.738  -2.506
   32    HB   VAL   5           HB       VAL   5   3.853   5.570  -3.829
   33   1HG1  VAL   5          HG11      VAL   5   6.610   6.489  -3.009
   34   2HG1  VAL   5          HG13      VAL   5   6.333   5.358  -4.330
   35   3HG1  VAL   5          HG12      VAL   5   5.689   6.996  -4.424
   36   1HG2  VAL   5          HG23      VAL   5   4.240   4.306  -1.501
   37   2HG2  VAL   5          HG22      VAL   5   4.635   3.554  -3.047
   38   3HG2  VAL   5          HG21      VAL   5   5.905   4.308  -2.084
   39    H    THR   6           HN       THR   6   2.046   7.237  -3.412
   40    HA   THR   6           HA       THR   6   0.232   6.379  -1.209
   41    HB   THR   6           HB       THR   6  -1.334   7.643  -2.980
   42    HG1  THR   6           HG1      THR   6   0.232   9.447  -3.650
   43   1HG2  THR   6          HG23      THR   6   0.566   8.840  -0.967
   44   2HG2  THR   6          HG22      THR   6  -0.648   9.815  -1.794
   45   3HG2  THR   6          HG21      THR   6  -1.147   8.474  -0.761
   46    H    LEU   7           HN       LEU   7  -1.658   5.040  -2.024
   47    HA   LEU   7           HA       LEU   7  -0.977   3.625  -4.563
   48   1HB   LEU   7           HB2      LEU   7  -0.869   2.721  -1.813
   49   2HB   LEU   7           HB1      LEU   7  -2.032   1.755  -2.724
   50    HG   LEU   7           HG       LEU   7  -0.387   1.179  -4.371
   51   1HD1  LEU   7          HD11      LEU   7   1.226   3.330  -3.036
   52   2HD1  LEU   7          HD13      LEU   7   2.013   2.061  -3.971
   53   3HD1  LEU   7          HD12      LEU   7   0.851   3.129  -4.741
   54   1HD2  LEU   7          HD21      LEU   7  -0.242   0.233  -1.884
   55   2HD2  LEU   7          HD23      LEU   7   0.953  -0.217  -3.099
   56   3HD2  LEU   7          HD22      LEU   7   1.324   1.043  -1.925
   57    H    ALA   8           HN       ALA   8  -2.802   2.594  -5.545
   58    HA   ALA   8           HA       ALA   8  -5.412   3.846  -4.751
   59   1HB   ALA   8           HB2      ALA   8  -4.332   2.762  -7.372
   60   2HB   ALA   8           HB1      ALA   8  -5.951   3.431  -7.167
   61   3HB   ALA   8           HB3      ALA   8  -4.537   4.462  -6.947
   62    H    VAL   9           HN       VAL   9  -6.562   2.351  -3.538
   63    HA   VAL   9           HA       VAL   9  -6.596  -0.486  -4.514
   64    HB   VAL   9           HB       VAL   9  -5.624  -0.512  -2.373
   65   1HG1  VAL   9          HG13      VAL   9  -7.600   1.660  -1.610
   66   2HG1  VAL   9          HG12      VAL   9  -6.466   0.907  -0.489
   67   3HG1  VAL   9          HG11      VAL   9  -5.863   1.854  -1.849
   68   1HG2  VAL   9          HG23      VAL   9  -8.616  -0.704  -1.913
   69   2HG2  VAL   9          HG22      VAL   9  -7.541  -2.024  -2.371
   70   3HG2  VAL   9          HG21      VAL   9  -7.394  -1.276  -0.783
   71    HA   PRO  10           HA       PRO  10 -10.859   0.968  -5.229
   72   1HB   PRO  10           HB2      PRO  10 -11.271  -1.136  -7.058
   73   2HB   PRO  10           HB1      PRO  10 -10.805   0.522  -7.450
   74   1HG   PRO  10           HG2      PRO  10  -9.208  -1.885  -7.642
   75   2HG   PRO  10           HG1      PRO  10  -8.795  -0.248  -8.160
   76   1HD   PRO  10           HD2      PRO  10  -7.823  -1.690  -5.839
   77   2HD   PRO  10           HD1      PRO  10  -7.352  -0.068  -6.406
   78    H    GLY  11           HN       GLY  11 -10.057  -0.999  -3.022
   79   1HA   GLY  11           HA2      GLY  11 -11.907  -3.227  -3.237
   80   2HA   GLY  11           HA1      GLY  11 -11.042  -2.739  -1.777
   81    H    MET  12           HN       MET  12 -11.863  -0.600  -0.817
   82    HA   MET  12           HA       MET  12 -13.663   0.458   0.292
   83   1HB   MET  12           HB2      MET  12 -13.738   0.809  -2.490
   84   2HB   MET  12           HB1      MET  12 -15.397   0.404  -2.057
   85   1HG   MET  12           HG2      MET  12 -14.449   2.213  -0.083
   86   2HG   MET  12           HG1      MET  12 -14.007   2.885  -1.652
   87   1HE   MET  12           HE3      MET  12 -15.200   4.601  -0.559
   88   2HE   MET  12           HE2      MET  12 -16.355   5.064  -1.806
   89   3HE   MET  12           HE1      MET  12 -16.926   4.685  -0.183
   90    H    THR  13           HN       THR  13 -13.595  -2.495   0.196
   91    HA   THR  13           HA       THR  13 -16.187  -3.606  -0.234
   92    HB   THR  13           HB       THR  13 -13.654  -4.437   0.451
   93    HG1  THR  13           HG1      THR  13 -14.514  -6.297  -0.041
   94   1HG2  THR  13          HG21      THR  13 -15.435  -4.766   2.868
   95   2HG2  THR  13          HG23      THR  13 -13.983  -5.725   2.588
   96   3HG2  THR  13          HG22      THR  13 -13.859  -3.977   2.792
   97    H    CYS  14           HN       CYS  14 -15.104  -1.335   2.044
   98    HA   CYS  14           HA       CYS  14 -16.464  -0.127   3.579
   99   1HB   CYS  14           HB2      CYS  14 -18.335  -1.573   2.416
  100   2HB   CYS  14           HB1      CYS  14 -18.243  -2.517   3.903
  101    HG   CYS  14           HG       CYS  14 -18.506   0.115   4.981
  102    H    ALA  15           HN       ALA  15 -14.854  -0.167   5.125
  103    HA   ALA  15           HA       ALA  15 -14.004  -0.670   7.272
  104   1HB   ALA  15           HB3      ALA  15 -16.623  -1.627   7.177
  105   2HB   ALA  15           HB2      ALA  15 -15.688  -3.004   7.761
  106   3HB   ALA  15           HB1      ALA  15 -15.630  -1.468   8.626
  107    H    ALA  16           HN       ALA  16 -13.116  -2.088   4.702
  108    HA   ALA  16           HA       ALA  16 -11.538  -4.172   6.117
  109   1HB   ALA  16           HB2      ALA  16 -13.871  -4.746   4.646
  110   2HB   ALA  16           HB1      ALA  16 -12.524  -5.228   3.613
  111   3HB   ALA  16           HB3      ALA  16 -12.678  -5.903   5.235
  112    H    CYS  17           HN       CYS  17 -12.226  -2.626   2.949
  113    HA   CYS  17           HA       CYS  17  -9.920  -3.261   1.532
  114   1HB   CYS  17           HB2      CYS  17 -11.394  -1.965   0.354
  115   2HB   CYS  17           HB1      CYS  17 -11.771  -0.939   1.729
  116    HG   CYS  17           HG       CYS  17  -9.146  -0.015   1.200
  117    HA   PRO  18           HA       PRO  18  -7.472   0.347   3.644
  118   1HB   PRO  18           HB2      PRO  18  -8.607   1.070   6.123
  119   2HB   PRO  18           HB1      PRO  18  -8.664   1.997   4.621
  120   1HG   PRO  18           HG2      PRO  18 -10.809   0.546   5.950
  121   2HG   PRO  18           HG1      PRO  18 -10.907   1.671   4.592
  122   1HD   PRO  18           HD2      PRO  18 -11.180  -1.177   4.515
  123   2HD   PRO  18           HD1      PRO  18 -11.167  -0.055   3.136
  124    H    ILE  19           HN       ILE  19  -8.874  -2.255   5.571
  125    HA   ILE  19           HA       ILE  19  -6.604  -2.232   7.479
  126    HB   ILE  19           HB       ILE  19  -9.144  -3.826   7.094
  127   1HG1  ILE  19          HG12      ILE  19  -8.177  -2.083   9.384
  128   2HG1  ILE  19          HG11      ILE  19  -9.239  -1.521   8.092
  129   1HG2  ILE  19          HG21      ILE  19  -6.794  -4.338   8.903
  130   2HG2  ILE  19          HG23      ILE  19  -8.423  -4.773   9.423
  131   3HG2  ILE  19          HG22      ILE  19  -7.742  -5.491   7.962
  132   1HD1  ILE  19          HD12      ILE  19 -10.417  -3.899   8.978
  133   2HD1  ILE  19          HD11      ILE  19  -9.892  -3.091  10.455
  134   3HD1  ILE  19          HD13      ILE  19 -10.972  -2.263   9.332
  135    H    THR  20           HN       THR  20  -7.785  -3.972   4.722
  136    HA   THR  20           HA       THR  20  -5.996  -6.242   4.927
  137    HB   THR  20           HB       THR  20  -7.981  -5.037   3.026
  138    HG1  THR  20           HG1      THR  20  -9.152  -6.502   3.935
  139   1HG2  THR  20          HG22      THR  20  -5.981  -7.194   2.416
  140   2HG2  THR  20          HG21      THR  20  -7.548  -7.139   1.606
  141   3HG2  THR  20          HG23      THR  20  -6.423  -5.791   1.442
  142    H    VAL  21           HN       VAL  21  -6.142  -3.213   3.057
  143    HA   VAL  21           HA       VAL  21  -3.786  -3.752   1.499
  144    HB   VAL  21           HB       VAL  21  -5.347  -1.272   2.262
  145   1HG1  VAL  21          HG12      VAL  21  -2.995  -1.602   0.384
  146   2HG1  VAL  21          HG11      VAL  21  -4.106  -0.235   0.299
  147   3HG1  VAL  21          HG13      VAL  21  -3.135  -0.494   1.749
  148   1HG2  VAL  21          HG22      VAL  21  -5.521  -3.354   0.198
  149   2HG2  VAL  21          HG21      VAL  21  -6.745  -2.205   0.740
  150   3HG2  VAL  21          HG23      VAL  21  -5.550  -1.718  -0.461
  151    H    LYS  22           HN       LYS  22  -4.405  -1.649   4.316
  152    HA   LYS  22           HA       LYS  22  -1.800  -0.716   4.781
  153   1HB   LYS  22           HB2      LYS  22  -4.013  -0.185   5.952
  154   2HB   LYS  22           HB1      LYS  22  -3.732  -1.629   6.926
  155   1HG   LYS  22           HG2      LYS  22  -1.329  -0.038   6.847
  156   2HG   LYS  22           HG1      LYS  22  -2.685   0.965   7.361
  157   1HD   LYS  22           HD2      LYS  22  -3.189  -1.259   8.818
  158   2HD   LYS  22           HD1      LYS  22  -1.431  -1.359   8.719
  159   1HE   LYS  22           HE2      LYS  22  -2.007   1.357   9.259
  160   2HE   LYS  22           HE1      LYS  22  -3.034   0.407  10.351
  161   1HZ   LYS  22           HZ1      LYS  22  -0.987  -1.011  10.722
  162   2HZ   LYS  22           HZ3      LYS  22  -0.098   0.237   9.993
  163   3HZ   LYS  22           HZ2      LYS  22  -0.964   0.536  11.424
  164    H    LYS  23           HN       LYS  23  -3.277  -3.782   5.865
  165    HA   LYS  23           HA       LYS  23  -0.929  -4.696   7.280
  166   1HB   LYS  23           HB2      LYS  23  -3.499  -5.865   6.252
  167   2HB   LYS  23           HB1      LYS  23  -2.273  -6.920   6.958
  168   1HG   LYS  23           HG2      LYS  23  -2.291  -5.102   8.886
  169   2HG   LYS  23           HG1      LYS  23  -3.909  -4.778   8.261
  170   1HD   LYS  23           HD2      LYS  23  -4.242  -6.444   9.914
  171   2HD   LYS  23           HD1      LYS  23  -4.272  -7.325   8.386
  172   1HE   LYS  23           HE2      LYS  23  -1.717  -7.651   8.762
  173   2HE   LYS  23           HE1      LYS  23  -2.072  -7.223  10.449
  174   1HZ   LYS  23           HZ1      LYS  23  -3.975  -8.865  10.249
  175   2HZ   LYS  23           HZ3      LYS  23  -3.216  -9.432   8.843
  176   3HZ   LYS  23           HZ2      LYS  23  -2.412  -9.526  10.337
  177    H    ALA  24           HN       ALA  24  -1.979  -4.878   3.970
  178    HA   ALA  24           HA       ALA  24  -0.315  -7.046   3.122
  179   1HB   ALA  24           HB3      ALA  24  -2.340  -5.428   2.118
  180   2HB   ALA  24           HB2      ALA  24  -0.943  -5.006   1.129
  181   3HB   ALA  24           HB1      ALA  24  -1.488  -6.681   1.217
  182    H    LEU  25           HN       LEU  25  -0.005  -3.555   2.395
  183    HA   LEU  25           HA       LEU  25   2.644  -3.666   1.380
  184   1HB   LEU  25           HB2      LEU  25   1.154  -1.474   2.852
  185   2HB   LEU  25           HB1      LEU  25   2.526  -1.234   1.765
  186    HG   LEU  25           HG       LEU  25   0.824  -2.799   0.264
  187   1HD1  LEU  25          HD12      LEU  25  -0.720  -1.439   2.304
  188   2HD1  LEU  25          HD11      LEU  25  -1.186  -0.906   0.688
  189   3HD1  LEU  25          HD13      LEU  25  -1.246  -2.620   1.105
  190   1HD2  LEU  25          HD22      LEU  25   2.052  -0.297   0.181
  191   2HD2  LEU  25          HD21      LEU  25   1.210  -1.094  -1.143
  192   3HD2  LEU  25          HD23      LEU  25   0.345   0.044  -0.112
  193    H    SER  26           HN       SER  26   1.440  -3.307   4.683
  194    HA   SER  26           HA       SER  26   4.017  -2.667   5.861
  195   1HB   SER  26           HB2      SER  26   2.166  -2.037   7.144
  196   2HB   SER  26           HB1      SER  26   1.277  -3.510   6.767
  197    HG   SER  26           HG       SER  26   2.495  -3.100   8.944
  198    H    LYS  27           HN       LYS  27   2.401  -5.611   4.877
  199    HA   LYS  27           HA       LYS  27   4.215  -7.288   6.471
  200   1HB   LYS  27           HB2      LYS  27   2.168  -8.329   6.438
  201   2HB   LYS  27           HB1      LYS  27   1.700  -7.539   4.937
  202   1HG   LYS  27           HG2      LYS  27   3.814  -9.667   4.880
  203   2HG   LYS  27           HG1      LYS  27   2.112 -10.128   4.949
  204   1HD   LYS  27           HD2      LYS  27   2.571  -8.002   3.013
  205   2HD   LYS  27           HD1      LYS  27   3.536  -9.432   2.649
  206   1HE   LYS  27           HE2      LYS  27   0.550  -9.504   3.214
  207   2HE   LYS  27           HE1      LYS  27   1.264  -9.525   1.589
  208   1HZ   LYS  27           HZ1      LYS  27   2.737 -11.381   2.705
  209   2HZ   LYS  27           HZ3      LYS  27   1.365 -11.565   3.685
  210   3HZ   LYS  27           HZ2      LYS  27   1.235 -11.750   2.002
  211    H    VAL  28           HN       VAL  28   4.197  -5.759   3.459
  212    HA   VAL  28           HA       VAL  28   5.300  -7.448   1.573
  213    HB   VAL  28           HB       VAL  28   5.717  -4.598   2.399
  214   1HG1  VAL  28          HG12      VAL  28   7.611  -6.168   0.751
  215   2HG1  VAL  28          HG11      VAL  28   7.064  -4.658   0.023
  216   3HG1  VAL  28          HG13      VAL  28   7.854  -4.642   1.600
  217   1HG2  VAL  28          HG23      VAL  28   4.732  -6.035  -0.080
  218   2HG2  VAL  28          HG22      VAL  28   3.762  -5.143   1.091
  219   3HG2  VAL  28          HG21      VAL  28   4.882  -4.282   0.035
  220    H    GLU  29           HN       GLU  29   7.612  -5.397   3.297
  221    HA   GLU  29           HA       GLU  29   9.112  -7.440   4.615
  222   1HB   GLU  29           HB2      GLU  29   9.358  -7.220   1.709
  223   2HB   GLU  29           HB1      GLU  29  10.915  -7.046   2.520
  224   1HG   GLU  29           HG2      GLU  29   9.808  -9.138   3.904
  225   2HG   GLU  29           HG1      GLU  29   9.178  -9.413   2.280
  226    H    GLY  30           HN       GLY  30  10.216  -4.897   2.360
  227   1HA   GLY  30           HA2      GLY  30  11.912  -3.720   4.419
  228   2HA   GLY  30           HA1      GLY  30  11.691  -3.102   2.780
  229    H    VAL  31           HN       VAL  31   8.635  -3.409   3.521
  230    HA   VAL  31           HA       VAL  31   7.976  -0.710   3.870
  231    HB   VAL  31           HB       VAL  31   6.458  -2.640   3.361
  232   1HG1  VAL  31          HG12      VAL  31   7.518  -3.917   5.419
  233   2HG1  VAL  31          HG11      VAL  31   6.235  -3.106   6.317
  234   3HG1  VAL  31          HG13      VAL  31   5.830  -4.188   4.985
  235   1HG2  VAL  31          HG23      VAL  31   5.849  -0.276   4.469
  236   2HG2  VAL  31          HG22      VAL  31   4.619  -1.499   4.157
  237   3HG2  VAL  31          HG21      VAL  31   5.297  -1.324   5.776
  238    H    SER  32           HN       SER  32   7.857   0.660   5.524
  239    HA   SER  32           HA       SER  32   8.572  -0.353   8.251
  240   1HB   SER  32           HB2      SER  32   9.412   2.285   7.033
  241   2HB   SER  32           HB1      SER  32  10.042   1.530   8.494
  242    HG   SER  32           HG       SER  32  11.456   0.686   7.189
  243    H    LYS  33           HN       LYS  33   6.309   1.277   6.338
  244    HA   LYS  33           HA       LYS  33   4.691   1.970   8.657
  245   1HB   LYS  33           HB2      LYS  33   6.183   3.740   9.018
  246   2HB   LYS  33           HB1      LYS  33   6.404   4.029   7.294
  247   1HG   LYS  33           HG2      LYS  33   4.703   5.503   7.255
  248   2HG   LYS  33           HG1      LYS  33   3.620   4.351   8.040
  249   1HD   LYS  33           HD2      LYS  33   3.717   5.649   9.881
  250   2HD   LYS  33           HD1      LYS  33   5.400   5.150  10.055
  251   1HE   LYS  33           HE2      LYS  33   6.196   7.164   9.321
  252   2HE   LYS  33           HE1      LYS  33   4.947   7.302   8.067
  253   1HZ   LYS  33           HZ2      LYS  33   3.315   7.764   9.799
  254   2HZ   LYS  33           HZ1      LYS  33   4.528   7.678  10.986
  255   3HZ   LYS  33           HZ3      LYS  33   4.564   8.916   9.828
  256    H    VAL  34           HN       VAL  34   2.878   1.171   7.629
  257    HA   VAL  34           HA       VAL  34   2.136   2.346   4.971
  258    HB   VAL  34           HB       VAL  34   1.387  -0.228   6.393
  259   1HG1  VAL  34          HG11      VAL  34   0.459   0.889   3.729
  260   2HG1  VAL  34          HG13      VAL  34   0.170  -0.762   4.279
  261   3HG1  VAL  34          HG12      VAL  34  -0.545   0.595   5.149
  262   1HG2  VAL  34          HG21      VAL  34   3.562   0.485   4.739
  263   2HG2  VAL  34          HG23      VAL  34   3.090  -1.140   5.232
  264   3HG2  VAL  34          HG22      VAL  34   2.475  -0.463   3.724
  265    H    ASP  35           HN       ASP  35  -0.357   2.502   4.722
  266    HA   ASP  35           HA       ASP  35  -1.968   2.801   7.132
  267   1HB   ASP  35           HB2      ASP  35  -0.215   4.898   6.441
  268   2HB   ASP  35           HB1      ASP  35  -1.818   5.441   5.942
  269    H    VAL  36           HN       VAL  36  -4.068   4.137   6.453
  270    HA   VAL  36           HA       VAL  36  -4.805   3.228   3.693
  271    HB   VAL  36           HB       VAL  36  -6.988   2.830   4.589
  272   1HG1  VAL  36          HG12      VAL  36  -5.295   1.164   5.255
  273   2HG1  VAL  36          HG11      VAL  36  -4.949   2.099   6.711
  274   3HG1  VAL  36          HG13      VAL  36  -6.530   1.345   6.501
  275   1HG2  VAL  36          HG22      VAL  36  -6.188   4.921   6.436
  276   2HG2  VAL  36          HG21      VAL  36  -7.808   4.334   6.059
  277   3HG2  VAL  36          HG23      VAL  36  -6.851   3.539   7.309
  278    H    GLY  37           HN       GLY  37  -6.573   4.602   2.699
  279   1HA   GLY  37           HA2      GLY  37  -6.756   7.384   3.641
  280   2HA   GLY  37           HA1      GLY  37  -5.919   7.165   2.102
  281    H    PHE  38           HN       PHE  38  -8.953   6.178   3.720
  282    HA   PHE  38           HA       PHE  38 -10.381   5.412   1.407
  283   1HB   PHE  38           HB2      PHE  38 -10.836   5.978   4.189
  284   2HB   PHE  38           HB1      PHE  38 -12.143   6.689   3.241
  285    HD1  PHE  38           HD2      PHE  38 -10.158   3.715   2.253
  286    HD2  PHE  38           HD1      PHE  38 -13.900   5.144   3.800
  287    HE1  PHE  38           HE2      PHE  38 -11.151   1.468   1.921
  288    HE2  PHE  38           HE1      PHE  38 -14.894   2.896   3.467
  289    HZ   PHE  38           HZ       PHE  38 -13.523   1.057   2.529
  290    H    GLU  39           HN       GLU  39  -9.340   8.566   2.360
  291    HA   GLU  39           HA       GLU  39 -11.256  10.341   1.425
  292   1HB   GLU  39           HB2      GLU  39  -8.971  10.859   2.325
  293   2HB   GLU  39           HB1      GLU  39  -8.289  10.381   0.769
  294   1HG   GLU  39           HG2      GLU  39  -8.536  12.793   0.772
  295   2HG   GLU  39           HG1      GLU  39  -9.743  12.117  -0.325
  296    H    LYS  40           HN       LYS  40  -9.278   8.115  -0.444
  297    HA   LYS  40           HA       LYS  40 -11.023   8.451  -2.769
  298   1HB   LYS  40           HB2      LYS  40  -9.191  10.318  -2.663
  299   2HB   LYS  40           HB1      LYS  40  -8.100   9.030  -3.179
  300   1HG   LYS  40           HG2      LYS  40  -8.771   9.441  -5.293
  301   2HG   LYS  40           HG1      LYS  40 -10.340   8.771  -4.843
  302   1HD   LYS  40           HD2      LYS  40 -10.962  10.883  -5.599
  303   2HD   LYS  40           HD1      LYS  40 -10.756  11.189  -3.873
  304   1HE   LYS  40           HE2      LYS  40  -8.268  11.728  -4.528
  305   2HE   LYS  40           HE1      LYS  40  -8.946  11.960  -6.151
  306   1HZ   LYS  40           HZ3      LYS  40 -10.500  13.096  -3.985
  307   2HZ   LYS  40           HZ2      LYS  40  -8.993  13.837  -4.242
  308   3HZ   LYS  40           HZ1      LYS  40 -10.125  13.747  -5.506
  309    H    ARG  41           HN       ARG  41 -10.704   6.181  -1.330
  310    HA   ARG  41           HA       ARG  41  -9.921   3.936  -1.399
  311   1HB   ARG  41           HB2      ARG  41 -10.140   4.784  -4.304
  312   2HB   ARG  41           HB1      ARG  41 -10.062   3.107  -3.761
  313   1HG   ARG  41           HG2      ARG  41 -12.048   4.406  -2.200
  314   2HG   ARG  41           HG1      ARG  41 -12.345   4.829  -3.887
  315   1HD   ARG  41           HD2      ARG  41 -11.831   2.183  -4.178
  316   2HD   ARG  41           HD1      ARG  41 -12.532   2.184  -2.548
  317    HE   ARG  41           HE       ARG  41 -14.190   3.871  -4.023
  318   1HH1  ARG  41          HH21      ARG  41 -13.038   0.625  -4.292
  319   2HH1  ARG  41          HH22      ARG  41 -14.470   0.045  -5.074
  320   1HH2  ARG  41          HH11      ARG  41 -16.060   3.127  -5.043
  321   2HH2  ARG  41          HH12      ARG  41 -16.178   1.461  -5.503
  322    H    GLU  42           HN       GLU  42  -7.724   5.137  -0.643
  323    HA   GLU  42           HA       GLU  42  -5.621   3.985  -2.391
  324   1HB   GLU  42           HB2      GLU  42  -4.389   6.140  -2.359
  325   2HB   GLU  42           HB1      GLU  42  -5.972   6.323  -3.115
  326   1HG   GLU  42           HG2      GLU  42  -6.727   7.696  -1.476
  327   2HG   GLU  42           HG1      GLU  42  -6.000   6.717  -0.200
  328    H    ALA  43           HN       ALA  43  -3.674   3.495  -1.231
  329    HA   ALA  43           HA       ALA  43  -3.901   3.804   1.752
  330   1HB   ALA  43           HB3      ALA  43  -2.717   1.628  -0.018
  331   2HB   ALA  43           HB2      ALA  43  -2.447   1.694   1.722
  332   3HB   ALA  43           HB1      ALA  43  -4.079   1.474   1.093
  333    H    VAL  44           HN       VAL  44  -2.005   4.620   2.806
  334    HA   VAL  44           HA       VAL  44   0.060   5.703   0.928
  335    HB   VAL  44           HB       VAL  44  -1.343   7.162   2.500
  336   1HG1  VAL  44          HG11      VAL  44  -0.787   5.283   4.358
  337   2HG1  VAL  44          HG13      VAL  44   0.516   6.421   4.700
  338   3HG1  VAL  44          HG12      VAL  44  -1.164   6.954   4.776
  339   1HG2  VAL  44          HG23      VAL  44   1.186   7.469   1.579
  340   2HG2  VAL  44          HG22      VAL  44   0.381   8.676   2.583
  341   3HG2  VAL  44          HG21      VAL  44   1.496   7.521   3.314
  342    H    VAL  45           HN       VAL  45   2.080   4.800   0.994
  343    HA   VAL  45           HA       VAL  45   2.711   3.086   3.364
  344    HB   VAL  45           HB       VAL  45   3.480   2.691   0.463
  345   1HG1  VAL  45          HG11      VAL  45   3.839   1.129   3.009
  346   2HG1  VAL  45          HG13      VAL  45   3.746   0.286   1.463
  347   3HG1  VAL  45          HG12      VAL  45   5.019   1.474   1.745
  348   1HG2  VAL  45          HG22      VAL  45   0.944   2.431   1.596
  349   2HG2  VAL  45          HG21      VAL  45   1.496   1.664   0.109
  350   3HG2  VAL  45          HG23      VAL  45   1.595   0.794   1.639
  351    H    THR  46           HN       THR  46   4.881   2.869   3.887
  352    HA   THR  46           HA       THR  46   6.845   4.800   2.762
  353    HB   THR  46           HB       THR  46   5.811   4.472   5.579
  354    HG1  THR  46           HG1      THR  46   5.405   6.227   3.848
  355   1HG2  THR  46          HG21      THR  46   8.274   4.083   5.636
  356   2HG2  THR  46          HG23      THR  46   8.508   5.648   4.858
  357   3HG2  THR  46          HG22      THR  46   7.795   5.561   6.468
  358    H    PHE  47           HN       PHE  47   9.017   3.822   2.852
  359    HA   PHE  47           HA       PHE  47   9.370   1.363   4.376
  360   1HB   PHE  47           HB2      PHE  47   9.371  -0.129   2.413
  361   2HB   PHE  47           HB1      PHE  47   7.809   0.673   2.593
  362    HD1  PHE  47           HD2      PHE  47  11.072   0.853   0.754
  363    HD2  PHE  47           HD1      PHE  47   6.961   2.110   0.913
  364    HE1  PHE  47           HE2      PHE  47  11.294   1.837  -1.495
  365    HE2  PHE  47           HE1      PHE  47   7.185   3.097  -1.349
  366    HZ   PHE  47           HZ       PHE  47   9.344   2.960  -2.555
  367    H    ASP  48           HN       ASP  48  11.248   0.062   3.242
  368    HA   ASP  48           HA       ASP  48  13.428   2.039   2.747
  369   1HB   ASP  48           HB2      ASP  48  13.640  -0.887   3.513
  370   2HB   ASP  48           HB1      ASP  48  14.874   0.361   3.691
  371    H    ASP  49           HN       ASP  49  13.875   2.201   0.594
  372    HA   ASP  49           HA       ASP  49  12.850   0.420  -1.382
  373   1HB   ASP  49           HB2      ASP  49  13.504   2.775  -1.720
  374   2HB   ASP  49           HB1      ASP  49  15.194   2.342  -1.464
  375    H    THR  50           HN       THR  50  15.432  -0.061   0.754
  376    HA   THR  50           HA       THR  50  17.186  -1.595  -0.998
  377    HB   THR  50           HB       THR  50  17.890  -0.376   1.054
  378    HG1  THR  50           HG1      THR  50  18.508  -2.841   1.928
  379   1HG2  THR  50          HG21      THR  50  15.932  -2.288   2.274
  380   2HG2  THR  50          HG23      THR  50  17.332  -1.783   3.222
  381   3HG2  THR  50          HG22      THR  50  16.191  -0.579   2.623
  382    H    LYS  51           HN       LYS  51  14.265  -2.273   0.747
  383    HA   LYS  51           HA       LYS  51  14.628  -5.191   0.168
  384   1HB   LYS  51           HB2      LYS  51  14.115  -3.717   2.667
  385   2HB   LYS  51           HB1      LYS  51  13.027  -5.080   2.407
  386   1HG   LYS  51           HG2      LYS  51  15.934  -5.518   1.888
  387   2HG   LYS  51           HG1      LYS  51  15.413  -5.400   3.569
  388   1HD   LYS  51           HD2      LYS  51  13.492  -7.051   2.539
  389   2HD   LYS  51           HD1      LYS  51  14.899  -7.526   1.586
  390   1HE   LYS  51           HE2      LYS  51  14.789  -7.403   4.624
  391   2HE   LYS  51           HE1      LYS  51  14.797  -8.882   3.641
  392   1HZ   LYS  51           HZ3      LYS  51  16.889  -6.772   3.537
  393   2HZ   LYS  51           HZ2      LYS  51  17.042  -8.234   4.389
  394   3HZ   LYS  51           HZ1      LYS  51  16.900  -8.244   2.696
  395    H    ALA  52           HN       ALA  52  12.831  -2.479  -0.523
  396    HA   ALA  52           HA       ALA  52  10.646  -4.044  -1.672
  397   1HB   ALA  52           HB1      ALA  52  10.371  -3.581   0.954
  398   2HB   ALA  52           HB3      ALA  52   9.744  -2.045   0.356
  399   3HB   ALA  52           HB2      ALA  52   8.985  -3.559  -0.136
  400    H    SER  53           HN       SER  53   8.776  -2.148  -2.153
  401    HA   SER  53           HA       SER  53   9.569   0.513  -2.677
  402   1HB   SER  53           HB2      SER  53   9.937  -0.126  -5.288
  403   2HB   SER  53           HB1      SER  53  11.265   0.008  -4.139
  404    HG   SER  53           HG       SER  53  11.561  -2.058  -4.325
  405    H    VAL  54           HN       VAL  54   8.179   1.465  -4.552
  406    HA   VAL  54           HA       VAL  54   5.471   1.106  -4.217
  407    HB   VAL  54           HB       VAL  54   7.163   1.787  -6.625
  408   1HG1  VAL  54          HG12      VAL  54   4.166   1.558  -6.420
  409   2HG1  VAL  54          HG11      VAL  54   4.897   2.752  -7.492
  410   3HG1  VAL  54          HG13      VAL  54   5.228   1.036  -7.728
  411   1HG2  VAL  54          HG21      VAL  54   6.484   3.168  -4.330
  412   2HG2  VAL  54          HG23      VAL  54   6.999   3.913  -5.843
  413   3HG2  VAL  54          HG22      VAL  54   5.282   3.739  -5.486
  414    H    GLN  55           HN       GLN  55   7.549  -0.757  -6.443
  415    HA   GLN  55           HA       GLN  55   5.643  -2.311  -7.787
  416   1HB   GLN  55           HB2      GLN  55   8.193  -2.211  -7.996
  417   2HB   GLN  55           HB1      GLN  55   8.253  -3.339  -6.641
  418   1HG   GLN  55           HG2      GLN  55   8.279  -4.801  -8.458
  419   2HG   GLN  55           HG1      GLN  55   6.554  -4.729  -8.090
  420   1HE2  GLN  55          HE22      GLN  55   5.715  -2.960 -11.064
  421   2HE2  GLN  55          HE21      GLN  55   5.177  -3.421  -9.522
  422    H    LYS  56           HN       LYS  56   7.182  -3.031  -4.639
  423    HA   LYS  56           HA       LYS  56   5.527  -5.386  -4.198
  424   1HB   LYS  56           HB2      LYS  56   7.437  -3.770  -2.489
  425   2HB   LYS  56           HB1      LYS  56   6.707  -5.290  -1.969
  426   1HG   LYS  56           HG2      LYS  56   8.245  -5.059  -4.559
  427   2HG   LYS  56           HG1      LYS  56   9.037  -5.451  -3.032
  428   1HD   LYS  56           HD2      LYS  56   7.105  -7.249  -2.855
  429   2HD   LYS  56           HD1      LYS  56   7.059  -7.058  -4.609
  430   1HE   LYS  56           HE2      LYS  56   9.426  -7.629  -4.785
  431   2HE   LYS  56           HE1      LYS  56   9.569  -7.697  -3.017
  432   1HZ   LYS  56           HZ2      LYS  56   7.449  -9.257  -3.411
  433   2HZ   LYS  56           HZ1      LYS  56   8.307  -9.575  -4.842
  434   3HZ   LYS  56           HZ3      LYS  56   9.038  -9.853  -3.337
  435    H    LEU  57           HN       LEU  57   5.167  -1.959  -3.418
  436    HA   LEU  57           HA       LEU  57   3.355  -2.373  -1.186
  437   1HB   LEU  57           HB2      LEU  57   3.568  -0.049  -3.127
  438   2HB   LEU  57           HB1      LEU  57   2.908   0.004  -1.495
  439    HG   LEU  57           HG       LEU  57   5.785  -0.644  -2.197
  440   1HD1  LEU  57          HD13      LEU  57   4.326   1.836  -1.839
  441   2HD1  LEU  57          HD12      LEU  57   5.584   1.670  -0.615
  442   3HD1  LEU  57          HD11      LEU  57   6.004   1.594  -2.326
  443   1HD2  LEU  57          HD22      LEU  57   4.197  -1.052   0.196
  444   2HD2  LEU  57          HD21      LEU  57   5.878  -1.493  -0.102
  445   3HD2  LEU  57          HD23      LEU  57   5.484   0.112   0.513
  446    H    THR  58           HN       THR  58   2.772  -1.295  -4.541
  447    HA   THR  58           HA       THR  58  -0.051  -1.596  -4.522
  448    HB   THR  58           HB       THR  58   1.805  -2.049  -6.874
  449    HG1  THR  58           HG1      THR  58   1.264   0.245  -5.361
  450   1HG2  THR  58          HG21      THR  58  -0.787  -2.214  -6.980
  451   2HG2  THR  58          HG23      THR  58  -0.748  -0.460  -6.804
  452   3HG2  THR  58          HG22      THR  58   0.039  -1.225  -8.185
  453    H    LYS  59           HN       LYS  59   2.562  -3.927  -4.938
  454    HA   LYS  59           HA       LYS  59   0.843  -6.026  -5.941
  455   1HB   LYS  59           HB2      LYS  59   3.283  -5.770  -6.430
  456   2HB   LYS  59           HB1      LYS  59   3.619  -6.129  -4.736
  457   1HG   LYS  59           HG2      LYS  59   3.157  -8.353  -4.975
  458   2HG   LYS  59           HG1      LYS  59   1.849  -8.060  -6.121
  459   1HD   LYS  59           HD2      LYS  59   4.364  -7.262  -7.292
  460   2HD   LYS  59           HD1      LYS  59   4.477  -8.923  -6.708
  461   1HE   LYS  59           HE2      LYS  59   2.743  -9.673  -8.106
  462   2HE   LYS  59           HE1      LYS  59   2.070  -8.042  -8.303
  463   1HZ   LYS  59           HZ1      LYS  59   4.830  -8.648  -9.157
  464   2HZ   LYS  59           HZ3      LYS  59   3.525  -8.989 -10.185
  465   3HZ   LYS  59           HZ2      LYS  59   3.805  -7.394  -9.672
  466    H    ALA  60           HN       ALA  60   1.871  -4.881  -2.789
  467    HA   ALA  60           HA       ALA  60   1.204  -7.298  -1.366
  468   1HB   ALA  60           HB3      ALA  60   2.669  -5.153  -0.784
  469   2HB   ALA  60           HB2      ALA  60   1.143  -4.580  -0.116
  470   3HB   ALA  60           HB1      ALA  60   1.869  -6.065   0.494
  471    H    THR  61           HN       THR  61  -0.452  -4.172  -1.883
  472    HA   THR  61           HA       THR  61  -2.885  -5.011  -0.536
  473    HB   THR  61           HB       THR  61  -2.126  -2.644  -0.887
  474    HG1  THR  61           HG1      THR  61  -4.588  -3.654  -1.528
  475   1HG2  THR  61          HG22      THR  61  -2.727  -3.323  -3.775
  476   2HG2  THR  61          HG21      THR  61  -2.476  -1.684  -3.176
  477   3HG2  THR  61          HG23      THR  61  -1.164  -2.861  -3.101
  478    H    ALA  62           HN       ALA  62  -1.568  -5.072  -3.736
  479    HA   ALA  62           HA       ALA  62  -3.915  -5.807  -5.210
  480   1HB   ALA  62           HB2      ALA  62  -0.938  -6.073  -5.533
  481   2HB   ALA  62           HB1      ALA  62  -2.008  -6.836  -6.707
  482   3HB   ALA  62           HB3      ALA  62  -2.064  -5.090  -6.467
  483    H    ASP  63           HN       ASP  63  -1.533  -7.649  -3.346
  484    HA   ASP  63           HA       ASP  63  -2.782 -10.223  -4.100
  485   1HB   ASP  63           HB2      ASP  63  -0.239  -9.356  -3.394
  486   2HB   ASP  63           HB1      ASP  63  -0.801 -10.161  -1.928
  487    H    ALA  64           HN       ALA  64  -3.268  -7.748  -1.842
  488    HA   ALA  64           HA       ALA  64  -4.147  -9.404   0.405
  489   1HB   ALA  64           HB3      ALA  64  -3.232  -6.899   0.185
  490   2HB   ALA  64           HB2      ALA  64  -4.949  -6.545  -0.010
  491   3HB   ALA  64           HB1      ALA  64  -4.373  -7.338   1.456
  492    H    GLY  65           HN       GLY  65  -5.492  -8.021  -2.503
  493   1HA   GLY  65           HA2      GLY  65  -7.618  -9.446  -3.071
  494   2HA   GLY  65           HA1      GLY  65  -8.233  -8.738  -1.584
  495    H    TYR  66           HN       TYR  66  -6.226  -6.588  -3.422
  496    HA   TYR  66           HA       TYR  66  -8.636  -5.436  -4.761
  497   1HB   TYR  66           HB2      TYR  66  -6.661  -3.947  -3.015
  498   2HB   TYR  66           HB1      TYR  66  -8.066  -3.252  -3.815
  499    HD1  TYR  66           HD1      TYR  66 -10.333  -4.620  -3.300
  500    HD2  TYR  66           HD2      TYR  66  -6.835  -4.450  -0.839
  501    HE1  TYR  66           HE1      TYR  66 -11.708  -5.156  -1.323
  502    HE2  TYR  66           HE2      TYR  66  -8.191  -4.971   1.145
  503    HH   TYR  66           HH       TYR  66 -10.479  -6.228   1.536
  504    HA   PRO  67           HA       PRO  67  -5.334  -5.310  -7.904
  505   1HB   PRO  67           HB2      PRO  67  -7.316  -4.028  -9.586
  506   2HB   PRO  67           HB1      PRO  67  -6.649  -5.657  -9.742
  507   1HG   PRO  67           HG2      PRO  67  -9.278  -4.915  -8.865
  508   2HG   PRO  67           HG1      PRO  67  -8.600  -6.539  -9.002
  509   1HD   PRO  67           HD2      PRO  67  -9.206  -5.095  -6.590
  510   2HD   PRO  67           HD1      PRO  67  -8.452  -6.703  -6.729
  511    H    SER  68           HN       SER  68  -4.118  -3.623  -6.916
  512    HA   SER  68           HA       SER  68  -5.320  -0.895  -6.957
  513   1HB   SER  68           HB2      SER  68  -3.711  -0.463  -5.180
  514   2HB   SER  68           HB1      SER  68  -4.548  -1.975  -4.841
  515    HG   SER  68           HG       SER  68  -2.606  -2.793  -6.213
  516    H    SER  69           HN       SER  69  -3.102   0.631  -6.722
  517    HA   SER  69           HA       SER  69  -1.162   0.134  -8.877
  518   1HB   SER  69           HB2      SER  69  -3.639   1.426  -9.361
  519   2HB   SER  69           HB1      SER  69  -2.430   2.706  -9.304
  520    HG   SER  69           HG       SER  69  -2.917   1.210 -11.323
  521    H    VAL  70           HN       VAL  70  -0.171   2.729  -9.058
  522    HA   VAL  70           HA       VAL  70   0.184   3.593  -6.237
  523    HB   VAL  70           HB       VAL  70   1.839   1.893  -7.207
  524   1HG1  VAL  70          HG12      VAL  70   1.964   3.248  -9.395
  525   2HG1  VAL  70          HG11      VAL  70   3.035   4.339  -8.515
  526   3HG1  VAL  70          HG13      VAL  70   3.486   2.648  -8.736
  527   1HG2  VAL  70          HG22      VAL  70   2.204   4.208  -5.534
  528   2HG2  VAL  70          HG21      VAL  70   3.013   2.644  -5.428
  529   3HG2  VAL  70          HG23      VAL  70   3.688   3.918  -6.442
  530    H    LYS  71           HN       LYS  71   1.047   5.782  -6.014
  531    HA   LYS  71           HA       LYS  71   0.723   7.416  -8.513
  532   1HB   LYS  71           HB2      LYS  71   0.107   8.420  -5.745
  533   2HB   LYS  71           HB1      LYS  71  -0.529   8.994  -7.284
  534   1HG   LYS  71           HG2      LYS  71  -1.258   6.277  -7.120
  535   2HG   LYS  71           HG1      LYS  71  -1.591   6.964  -5.530
  536   1HD   LYS  71           HD2      LYS  71  -2.374   8.674  -7.801
  537   2HD   LYS  71           HD1      LYS  71  -3.271   7.161  -7.681
  538   1HE   LYS  71           HE2      LYS  71  -3.458   7.822  -5.123
  539   2HE   LYS  71           HE1      LYS  71  -3.175   9.459  -5.749
  540   1HZ   LYS  71           HZ2      LYS  71  -4.914   9.019  -7.428
  541   2HZ   LYS  71           HZ1      LYS  71  -5.259   7.544  -6.657
  542   3HZ   LYS  71           HZ3      LYS  71  -5.517   9.008  -5.840
  543    H    GLN  72           HN       GLN  72   2.994   6.204  -7.133
  544    HA   GLN  72           HA       GLN  72   4.591   8.092  -5.711
  545   1HB   GLN  72           HB2      GLN  72   6.436   6.597  -6.389
  546   2HB   GLN  72           HB1      GLN  72   5.017   5.655  -5.930
  547   1HG   GLN  72           HG2      GLN  72   4.774   4.814  -8.014
  548   2HG   GLN  72           HG1      GLN  72   5.015   6.393  -8.763
  549   1HE2  GLN  72          HE22      GLN  72   8.706   5.917  -8.570
  550   2HE2  GLN  72          HE21      GLN  72   7.602   7.065  -7.983
   
  No H/Q in entry =         550
  Start of MODEL    7
    1   1H    ALA   1           HT3      ALA   1  16.861   1.966   0.750
    2   2H    ALA   1           HT2      ALA   1  16.676   2.322  -0.900
    3   3H    ALA   1           HT1      ALA   1  18.125   2.709  -0.102
    4    HA   ALA   1           HA       ALA   1  17.320   4.622   0.744
    5   1HB   ALA   1           HB3      ALA   1  16.775   4.465  -1.730
    6   2HB   ALA   1           HB2      ALA   1  15.132   4.020  -1.267
    7   3HB   ALA   1           HB1      ALA   1  15.773   5.604  -0.831
    8    H    THR   2           HN       THR   2  14.923   5.756   1.208
    9    HA   THR   2           HA       THR   2  13.175   3.903   2.689
   10    HB   THR   2           HB       THR   2  13.507   6.072   4.363
   11    HG1  THR   2           HG1      THR   2  15.291   6.830   3.318
   12   1HG2  THR   2          HG23      THR   2  14.270   3.248   4.300
   13   2HG2  THR   2          HG22      THR   2  15.295   4.221   5.355
   14   3HG2  THR   2          HG21      THR   2  13.550   4.186   5.607
   15    H    GLN   3           HN       GLN   3  11.697   4.531   0.965
   16    HA   GLN   3           HA       GLN   3  10.903   7.433   1.027
   17   1HB   GLN   3           HB2      GLN   3  10.873   5.311  -1.122
   18   2HB   GLN   3           HB1      GLN   3  10.055   6.862  -1.313
   19   1HG   GLN   3           HG2      GLN   3  12.379   7.848  -0.555
   20   2HG   GLN   3           HG1      GLN   3  12.994   6.287  -1.098
   21   1HE2  GLN   3          HE22      GLN   3  11.248   7.207  -4.413
   22   2HE2  GLN   3          HE21      GLN   3  10.720   6.181  -3.169
   23    H    THR   4           HN       THR   4   8.610   7.876   0.510
   24    HA   THR   4           HA       THR   4   6.739   5.716   1.408
   25    HB   THR   4           HB       THR   4   7.203   7.229   3.266
   26    HG1  THR   4           HG1      THR   4   5.101   6.774   3.314
   27   1HG2  THR   4          HG21      THR   4   7.386   9.148   1.155
   28   2HG2  THR   4          HG23      THR   4   6.154   9.694   2.292
   29   3HG2  THR   4          HG22      THR   4   7.790   9.358   2.859
   30    H    VAL   5           HN       VAL   5   5.177   5.429  -0.128
   31    HA   VAL   5           HA       VAL   5   4.400   7.764  -1.871
   32    HB   VAL   5           HB       VAL   5   5.577   6.363  -3.294
   33   1HG1  VAL   5          HG11      VAL   5   4.456   4.074  -1.672
   34   2HG1  VAL   5          HG13      VAL   5   5.324   3.833  -3.188
   35   3HG1  VAL   5          HG12      VAL   5   6.142   4.572  -1.812
   36   1HG2  VAL   5          HG23      VAL   5   2.773   5.230  -3.339
   37   2HG2  VAL   5          HG22      VAL   5   3.316   6.682  -4.180
   38   3HG2  VAL   5          HG21      VAL   5   3.950   5.108  -4.645
   39    H    THR   6           HN       THR   6   2.199   7.296  -2.853
   40    HA   THR   6           HA       THR   6   0.435   6.197  -0.716
   41    HB   THR   6           HB       THR   6  -1.177   7.629  -2.315
   42    HG1  THR   6           HG1      THR   6   0.214   9.491  -2.918
   43   1HG2  THR   6          HG21      THR   6  -0.193   7.954   0.156
   44   2HG2  THR   6          HG23      THR   6   0.625   9.297  -0.642
   45   3HG2  THR   6          HG22      THR   6  -1.137   9.208  -0.650
   46    H    LEU   7           HN       LEU   7  -1.490   4.990  -1.592
   47    HA   LEU   7           HA       LEU   7  -0.932   3.809  -4.274
   48   1HB   LEU   7           HB2      LEU   7  -0.821   2.628  -1.622
   49   2HB   LEU   7           HB1      LEU   7  -2.009   1.794  -2.628
   50    HG   LEU   7           HG       LEU   7  -0.392   1.354  -4.329
   51   1HD1  LEU   7          HD13      LEU   7   1.236   3.379  -2.844
   52   2HD1  LEU   7          HD12      LEU   7   2.034   2.169  -3.849
   53   3HD1  LEU   7          HD11      LEU   7   0.877   3.283  -4.562
   54   1HD2  LEU   7          HD23      LEU   7  -0.228  -0.060  -2.239
   55   2HD2  LEU   7          HD22      LEU   7   1.269   0.025  -3.167
   56   3HD2  LEU   7          HD21      LEU   7   1.082   0.997  -1.712
   57    H    ALA   8           HN       ALA   8  -2.824   3.039  -5.343
   58    HA   ALA   8           HA       ALA   8  -5.333   4.307  -4.301
   59   1HB   ALA   8           HB1      ALA   8  -4.314   5.058  -6.468
   60   2HB   ALA   8           HB3      ALA   8  -4.581   3.436  -7.107
   61   3HB   ALA   8           HB2      ALA   8  -5.956   4.442  -6.652
   62    H    VAL   9           HN       VAL   9  -6.250   2.621  -3.081
   63    HA   VAL   9           HA       VAL   9  -6.791   0.042  -4.522
   64    HB   VAL   9           HB       VAL   9  -5.504  -0.325  -2.524
   65   1HG1  VAL   9          HG12      VAL   9  -7.389   1.705  -1.318
   66   2HG1  VAL   9          HG11      VAL   9  -6.439   0.619  -0.306
   67   3HG1  VAL   9          HG13      VAL   9  -5.629   1.753  -1.386
   68   1HG2  VAL   9          HG21      VAL   9  -8.287  -1.114  -2.634
   69   2HG2  VAL   9          HG23      VAL   9  -6.901  -2.022  -2.033
   70   3HG2  VAL   9          HG22      VAL   9  -7.773  -0.930  -0.958
   71    HA   PRO  10           HA       PRO  10 -10.839   2.217  -4.238
   72   1HB   PRO  10           HB2      PRO  10 -11.682   0.997  -6.628
   73   2HB   PRO  10           HB1      PRO  10 -11.007   2.621  -6.462
   74   1HG   PRO  10           HG2      PRO  10  -9.794   0.266  -7.661
   75   2HG   PRO  10           HG1      PRO  10  -9.221   1.936  -7.678
   76   1HD   PRO  10           HD2      PRO  10  -8.193  -0.268  -6.124
   77   2HD   PRO  10           HD1      PRO  10  -7.627   1.420  -6.140
   78    H    GLY  11           HN       GLY  11 -10.104  -0.513  -3.019
   79   1HA   GLY  11           HA2      GLY  11 -12.138  -2.391  -3.766
   80   2HA   GLY  11           HA1      GLY  11 -11.257  -2.396  -2.234
   81    H    MET  12           HN       MET  12 -11.947   0.134  -1.270
   82    HA   MET  12           HA       MET  12 -13.632   0.912   0.232
   83   1HB   MET  12           HB2      MET  12 -15.380   1.971  -1.118
   84   2HB   MET  12           HB1      MET  12 -13.848   2.075  -1.987
   85   1HG   MET  12           HG2      MET  12 -14.453   0.390  -3.510
   86   2HG   MET  12           HG1      MET  12 -15.716  -0.241  -2.454
   87   1HE   MET  12           HE2      MET  12 -17.821   0.217  -2.361
   88   2HE   MET  12           HE1      MET  12 -17.848   1.843  -1.686
   89   3HE   MET  12           HE3      MET  12 -18.780   1.472  -3.142
   90    H    THR  13           HN       THR  13 -13.543  -1.856   0.382
   91    HA   THR  13           HA       THR  13 -16.102  -3.107  -0.115
   92    HB   THR  13           HB       THR  13 -13.642  -3.986   0.244
   93    HG1  THR  13           HG1      THR  13 -15.704  -5.434   1.513
   94   1HG2  THR  13          HG22      THR  13 -14.105  -3.022   2.783
   95   2HG2  THR  13          HG21      THR  13 -14.417  -4.750   2.952
   96   3HG2  THR  13          HG23      THR  13 -12.864  -4.191   2.337
   97    H    CYS  14           HN       CYS  14 -15.303  -0.687   1.995
   98    HA   CYS  14           HA       CYS  14 -16.642   0.310   3.670
   99   1HB   CYS  14           HB2      CYS  14 -18.328  -1.495   2.552
  100   2HB   CYS  14           HB1      CYS  14 -18.181  -2.181   4.170
  101    HG   CYS  14           HG       CYS  14 -20.117  -0.343   4.097
  102    H    ALA  15           HN       ALA  15 -14.731   0.265   4.971
  103    HA   ALA  15           HA       ALA  15 -13.694  -0.154   7.052
  104   1HB   ALA  15           HB3      ALA  15 -16.221  -0.602   7.527
  105   2HB   ALA  15           HB2      ALA  15 -15.751  -2.302   7.511
  106   3HB   ALA  15           HB1      ALA  15 -15.026  -1.198   8.680
  107    H    ALA  16           HN       ALA  16 -12.987  -1.747   4.563
  108    HA   ALA  16           HA       ALA  16 -11.423  -3.788   6.016
  109   1HB   ALA  16           HB1      ALA  16 -13.905  -4.376   4.687
  110   2HB   ALA  16           HB3      ALA  16 -12.590  -5.214   3.862
  111   3HB   ALA  16           HB2      ALA  16 -12.853  -5.467   5.587
  112    H    CYS  17           HN       CYS  17 -12.263  -2.276   2.891
  113    HA   CYS  17           HA       CYS  17 -10.208  -3.255   1.265
  114   1HB   CYS  17           HB2      CYS  17 -11.642  -1.856   0.156
  115   2HB   CYS  17           HB1      CYS  17 -11.802  -0.758   1.517
  116    HG   CYS  17           HG       CYS  17  -9.593  -0.620  -0.661
  117    HA   PRO  18           HA       PRO  18  -7.169   0.019   3.048
  118   1HB   PRO  18           HB2      PRO  18  -7.983   1.252   5.390
  119   2HB   PRO  18           HB1      PRO  18  -8.216   1.910   3.766
  120   1HG   PRO  18           HG2      PRO  18 -10.203   0.743   5.606
  121   2HG   PRO  18           HG1      PRO  18 -10.449   1.820   4.229
  122   1HD   PRO  18           HD2      PRO  18 -10.951  -0.984   4.310
  123   2HD   PRO  18           HD1      PRO  18 -10.990   0.067   2.873
  124    H    ILE  19           HN       ILE  19  -8.795  -2.309   5.008
  125    HA   ILE  19           HA       ILE  19  -6.717  -2.344   7.115
  126    HB   ILE  19           HB       ILE  19  -9.264  -3.866   6.520
  127   1HG1  ILE  19          HG12      ILE  19  -9.448  -1.561   7.421
  128   2HG1  ILE  19          HG11      ILE  19 -10.024  -2.758   8.581
  129   1HG2  ILE  19          HG21      ILE  19  -7.116  -4.392   8.562
  130   2HG2  ILE  19          HG23      ILE  19  -8.800  -4.758   8.936
  131   3HG2  ILE  19          HG22      ILE  19  -8.009  -5.546   7.571
  132   1HD1  ILE  19          HD12      ILE  19  -7.425  -2.662   9.304
  133   2HD1  ILE  19          HD11      ILE  19  -7.616  -1.019   8.693
  134   3HD1  ILE  19          HD13      ILE  19  -8.648  -1.600  10.001
  135    H    THR  20           HN       THR  20  -7.902  -4.381   4.476
  136    HA   THR  20           HA       THR  20  -5.977  -6.508   4.845
  137    HB   THR  20           HB       THR  20  -8.092  -5.583   2.969
  138    HG1  THR  20           HG1      THR  20  -7.375  -8.162   3.900
  139   1HG2  THR  20          HG23      THR  20  -6.217  -5.984   1.428
  140   2HG2  THR  20          HG22      THR  20  -6.002  -7.596   2.110
  141   3HG2  THR  20          HG21      THR  20  -7.480  -7.197   1.232
  142    H    VAL  21           HN       VAL  21  -6.240  -3.587   2.841
  143    HA   VAL  21           HA       VAL  21  -3.855  -4.029   1.322
  144    HB   VAL  21           HB       VAL  21  -5.600  -1.675   2.054
  145   1HG1  VAL  21          HG13      VAL  21  -3.249  -0.892   1.778
  146   2HG1  VAL  21          HG12      VAL  21  -3.218  -1.636   0.180
  147   3HG1  VAL  21          HG11      VAL  21  -4.314  -0.295   0.506
  148   1HG2  VAL  21          HG21      VAL  21  -5.271  -3.559  -0.231
  149   2HG2  VAL  21          HG23      VAL  21  -6.736  -2.818   0.410
  150   3HG2  VAL  21          HG22      VAL  21  -5.664  -1.888  -0.634
  151    H    LYS  22           HN       LYS  22  -4.581  -2.074   4.216
  152    HA   LYS  22           HA       LYS  22  -2.084  -0.937   4.744
  153   1HB   LYS  22           HB2      LYS  22  -3.973  -0.455   6.123
  154   2HB   LYS  22           HB1      LYS  22  -4.205  -2.157   6.525
  155   1HG   LYS  22           HG2      LYS  22  -2.791  -1.998   8.269
  156   2HG   LYS  22           HG1      LYS  22  -1.531  -1.317   7.241
  157   1HD   LYS  22           HD2      LYS  22  -2.278   0.899   7.590
  158   2HD   LYS  22           HD1      LYS  22  -3.847   0.365   8.194
  159   1HE   LYS  22           HE2      LYS  22  -2.101  -0.857   9.958
  160   2HE   LYS  22           HE1      LYS  22  -1.320   0.707   9.654
  161   1HZ   LYS  22           HZ1      LYS  22  -4.232   0.578  10.058
  162   2HZ   LYS  22           HZ3      LYS  22  -3.206   0.560  11.408
  163   3HZ   LYS  22           HZ2      LYS  22  -3.168   1.875  10.332
  164    H    LYS  23           HN       LYS  23  -3.174  -4.214   5.700
  165    HA   LYS  23           HA       LYS  23  -0.624  -4.930   6.869
  166   1HB   LYS  23           HB2      LYS  23  -2.968  -6.601   5.930
  167   2HB   LYS  23           HB1      LYS  23  -1.695  -7.146   7.024
  168   1HG   LYS  23           HG2      LYS  23  -3.198  -4.646   7.708
  169   2HG   LYS  23           HG1      LYS  23  -3.978  -6.203   7.985
  170   1HD   LYS  23           HD2      LYS  23  -1.181  -6.092   8.897
  171   2HD   LYS  23           HD1      LYS  23  -2.259  -4.988   9.752
  172   1HE   LYS  23           HE2      LYS  23  -3.262  -7.766   9.298
  173   2HE   LYS  23           HE1      LYS  23  -1.995  -7.545  10.522
  174   1HZ   LYS  23           HZ1      LYS  23  -4.305  -5.710  10.387
  175   2HZ   LYS  23           HZ3      LYS  23  -4.426  -7.180  11.225
  176   3HZ   LYS  23           HZ2      LYS  23  -3.272  -6.027  11.698
  177    H    ALA  24           HN       ALA  24  -1.838  -5.014   3.624
  178    HA   ALA  24           HA       ALA  24  -0.148  -7.115   2.633
  179   1HB   ALA  24           HB2      ALA  24  -2.228  -5.377   1.750
  180   2HB   ALA  24           HB1      ALA  24  -0.880  -5.207   0.624
  181   3HB   ALA  24           HB3      ALA  24  -1.586  -6.796   0.923
  182    H    LEU  25           HN       LEU  25   0.017  -3.554   2.467
  183    HA   LEU  25           HA       LEU  25   2.578  -3.455   1.157
  184   1HB   LEU  25           HB2      LEU  25   1.015  -1.523   2.899
  185   2HB   LEU  25           HB1      LEU  25   2.400  -1.071   1.900
  186    HG   LEU  25           HG       LEU  25   0.933  -2.378   0.059
  187   1HD1  LEU  25          HD12      LEU  25  -0.921  -1.547   2.214
  188   2HD1  LEU  25          HD11      LEU  25  -1.428  -1.257   0.551
  189   3HD1  LEU  25          HD13      LEU  25  -1.037  -2.894   1.078
  190   1HD2  LEU  25          HD21      LEU  25   0.912   0.474   0.994
  191   2HD2  LEU  25          HD23      LEU  25   1.686  -0.215  -0.428
  192   3HD2  LEU  25          HD22      LEU  25  -0.063  -0.009  -0.392
  193    H    SER  26           HN       SER  26   1.508  -3.537   4.505
  194    HA   SER  26           HA       SER  26   4.148  -2.968   5.637
  195   1HB   SER  26           HB2      SER  26   1.639  -2.702   6.517
  196   2HB   SER  26           HB1      SER  26   1.928  -4.330   7.127
  197    HG   SER  26           HG       SER  26   4.025  -3.244   7.871
  198    H    LYS  27           HN       LYS  27   2.454  -5.820   4.498
  199    HA   LYS  27           HA       LYS  27   4.357  -7.571   5.949
  200   1HB   LYS  27           HB2      LYS  27   2.860  -9.374   5.236
  201   2HB   LYS  27           HB1      LYS  27   1.909  -8.071   5.941
  202   1HG   LYS  27           HG2      LYS  27   0.747  -8.647   3.959
  203   2HG   LYS  27           HG1      LYS  27   1.648  -7.198   3.539
  204   1HD   LYS  27           HD2      LYS  27   3.000  -8.297   2.080
  205   2HD   LYS  27           HD1      LYS  27   3.108  -9.724   3.111
  206   1HE   LYS  27           HE2      LYS  27   0.814 -10.390   2.415
  207   2HE   LYS  27           HE1      LYS  27   0.756  -8.984   1.332
  208   1HZ   LYS  27           HZ1      LYS  27   2.955  -9.837   0.441
  209   2HZ   LYS  27           HZ3      LYS  27   2.604 -11.297   1.230
  210   3HZ   LYS  27           HZ2      LYS  27   1.571 -10.724   0.009
  211    H    VAL  28           HN       VAL  28   4.092  -5.953   3.029
  212    HA   VAL  28           HA       VAL  28   4.872  -7.560   0.944
  213    HB   VAL  28           HB       VAL  28   5.666  -4.833   1.923
  214   1HG1  VAL  28          HG11      VAL  28   6.999  -6.400  -0.264
  215   2HG1  VAL  28          HG13      VAL  28   6.708  -4.679  -0.524
  216   3HG1  VAL  28          HG12      VAL  28   7.693  -5.211   0.838
  217   1HG2  VAL  28          HG23      VAL  28   3.499  -5.719   0.611
  218   2HG2  VAL  28          HG22      VAL  28   4.165  -4.110   0.334
  219   3HG2  VAL  28          HG21      VAL  28   4.544  -5.425  -0.778
  220    H    GLU  29           HN       GLU  29   7.536  -5.857   2.567
  221    HA   GLU  29           HA       GLU  29   8.920  -8.152   3.550
  222   1HB   GLU  29           HB2      GLU  29   9.177  -9.018   1.409
  223   2HB   GLU  29           HB1      GLU  29   9.179  -7.425   0.654
  224   1HG   GLU  29           HG2      GLU  29  11.426  -7.025   1.219
  225   2HG   GLU  29           HG1      GLU  29  11.433  -8.278   2.460
  226    H    GLY  30           HN       GLY  30   9.760  -5.248   1.609
  227   1HA   GLY  30           HA2      GLY  30  11.805  -4.543   3.628
  228   2HA   GLY  30           HA1      GLY  30  11.593  -3.763   2.061
  229    H    VAL  31           HN       VAL  31   8.549  -3.785   2.868
  230    HA   VAL  31           HA       VAL  31   8.159  -1.103   3.461
  231    HB   VAL  31           HB       VAL  31   6.389  -2.775   2.999
  232   1HG1  VAL  31          HG11      VAL  31   7.597  -4.046   5.277
  233   2HG1  VAL  31          HG13      VAL  31   5.901  -3.727   5.635
  234   3HG1  VAL  31          HG12      VAL  31   6.338  -4.673   4.212
  235   1HG2  VAL  31          HG21      VAL  31   6.013  -0.540   4.251
  236   2HG2  VAL  31          HG23      VAL  31   4.732  -1.744   4.361
  237   3HG2  VAL  31          HG22      VAL  31   5.854  -1.529   5.702
  238    H    SER  32           HN       SER  32   8.209   0.162   5.194
  239    HA   SER  32           HA       SER  32   9.236  -0.995   7.761
  240   1HB   SER  32           HB2      SER  32  10.940   0.313   6.637
  241   2HB   SER  32           HB1      SER  32   9.799   1.621   6.336
  242    HG   SER  32           HG       SER  32  10.593   0.688   8.900
  243    H    LYS  33           HN       LYS  33   6.765   0.748   6.193
  244    HA   LYS  33           HA       LYS  33   5.285   1.073   8.695
  245   1HB   LYS  33           HB2      LYS  33   6.400   3.021   9.161
  246   2HB   LYS  33           HB1      LYS  33   6.896   3.255   7.489
  247   1HG   LYS  33           HG2      LYS  33   4.618   4.030   6.921
  248   2HG   LYS  33           HG1      LYS  33   4.121   3.793   8.596
  249   1HD   LYS  33           HD2      LYS  33   6.441   5.579   7.840
  250   2HD   LYS  33           HD1      LYS  33   4.786   6.179   7.952
  251   1HE   LYS  33           HE2      LYS  33   4.679   5.845  10.269
  252   2HE   LYS  33           HE1      LYS  33   5.962   4.618  10.247
  253   1HZ   LYS  33           HZ1      LYS  33   7.469   6.417   9.420
  254   2HZ   LYS  33           HZ3      LYS  33   6.246   7.535   9.782
  255   3HZ   LYS  33           HZ2      LYS  33   6.948   6.614  11.025
  256    H    VAL  34           HN       VAL  34   3.121   2.192   8.218
  257    HA   VAL  34           HA       VAL  34   2.301   2.428   5.417
  258    HB   VAL  34           HB       VAL  34   2.553  -0.062   6.016
  259   1HG1  VAL  34          HG13      VAL  34   1.296   0.522   8.289
  260   2HG1  VAL  34          HG12      VAL  34  -0.133   0.188   7.310
  261   3HG1  VAL  34          HG11      VAL  34   1.102  -1.054   7.520
  262   1HG2  VAL  34          HG22      VAL  34   1.195   0.887   4.108
  263   2HG2  VAL  34          HG21      VAL  34   0.606  -0.659   4.720
  264   3HG2  VAL  34          HG23      VAL  34  -0.214   0.837   5.168
  265    H    ASP  35           HN       ASP  35  -0.201   2.703   5.352
  266    HA   ASP  35           HA       ASP  35  -1.553   3.413   7.839
  267   1HB   ASP  35           HB2      ASP  35   0.160   5.295   6.508
  268   2HB   ASP  35           HB1      ASP  35  -1.507   5.855   6.361
  269    H    VAL  36           HN       VAL  36  -3.749   4.458   7.271
  270    HA   VAL  36           HA       VAL  36  -4.689   3.350   4.651
  271    HB   VAL  36           HB       VAL  36  -5.941   3.780   7.367
  272   1HG1  VAL  36          HG11      VAL  36  -7.299   3.266   4.709
  273   2HG1  VAL  36          HG13      VAL  36  -8.062   2.910   6.259
  274   3HG1  VAL  36          HG12      VAL  36  -7.629   4.570   5.851
  275   1HG2  VAL  36          HG22      VAL  36  -4.702   1.683   6.944
  276   2HG2  VAL  36          HG21      VAL  36  -6.428   1.370   7.127
  277   3HG2  VAL  36          HG23      VAL  36  -5.698   1.383   5.521
  278    H    GLY  37           HN       GLY  37  -5.998   4.656   3.320
  279   1HA   GLY  37           HA2      GLY  37  -6.477   7.463   4.185
  280   2HA   GLY  37           HA1      GLY  37  -5.628   7.173   2.664
  281    H    PHE  38           HN       PHE  38  -8.559   5.902   4.290
  282    HA   PHE  38           HA       PHE  38  -9.932   5.163   1.921
  283   1HB   PHE  38           HB2      PHE  38 -10.319   5.118   4.668
  284   2HB   PHE  38           HB1      PHE  38 -11.604   6.186   4.104
  285    HD1  PHE  38           HD2      PHE  38 -10.074   3.353   2.217
  286    HD2  PHE  38           HD1      PHE  38 -13.513   4.785   4.358
  287    HE1  PHE  38           HE2      PHE  38 -11.370   1.387   1.443
  288    HE2  PHE  38           HE1      PHE  38 -14.806   2.818   3.585
  289    HZ   PHE  38           HZ       PHE  38 -13.745   1.119   2.135
  290    H    GLU  39           HN       GLU  39  -9.365   8.312   3.297
  291    HA   GLU  39           HA       GLU  39 -11.502   9.871   2.434
  292   1HB   GLU  39           HB2      GLU  39  -8.579  10.168   2.779
  293   2HB   GLU  39           HB1      GLU  39  -9.321  11.384   1.737
  294   1HG   GLU  39           HG2      GLU  39  -9.460  12.278   3.942
  295   2HG   GLU  39           HG1      GLU  39 -11.078  11.673   3.579
  296    H    LYS  40           HN       LYS  40  -9.127   8.176   0.502
  297    HA   LYS  40           HA       LYS  40 -10.645   8.869  -1.955
  298   1HB   LYS  40           HB2      LYS  40  -8.211  10.089  -1.159
  299   2HB   LYS  40           HB1      LYS  40  -7.812   8.990  -2.479
  300   1HG   LYS  40           HG2      LYS  40  -8.632  10.499  -3.930
  301   2HG   LYS  40           HG1      LYS  40 -10.227  10.268  -3.214
  302   1HD   LYS  40           HD2      LYS  40  -9.937  12.546  -2.869
  303   2HD   LYS  40           HD1      LYS  40  -9.281  11.906  -1.363
  304   1HE   LYS  40           HE2      LYS  40  -7.219  11.936  -3.399
  305   2HE   LYS  40           HE1      LYS  40  -7.928  13.552  -3.208
  306   1HZ   LYS  40           HZ1      LYS  40  -7.786  13.140  -0.746
  307   2HZ   LYS  40           HZ3      LYS  40  -6.805  11.801  -1.095
  308   3HZ   LYS  40           HZ2      LYS  40  -6.297  13.362  -1.533
  309    H    ARG  41           HN       ARG  41 -10.423   6.412  -0.426
  310    HA   ARG  41           HA       ARG  41  -9.836   4.128  -0.680
  311   1HB   ARG  41           HB2      ARG  41 -10.850   5.359  -3.121
  312   2HB   ARG  41           HB1      ARG  41  -9.857   3.944  -3.472
  313   1HG   ARG  41           HG2      ARG  41 -12.291   3.412  -3.102
  314   2HG   ARG  41           HG1      ARG  41 -11.200   2.558  -2.011
  315   1HD   ARG  41           HD2      ARG  41 -12.961   3.407  -0.618
  316   2HD   ARG  41           HD1      ARG  41 -11.599   4.511  -0.363
  317    HE   ARG  41           HE       ARG  41 -12.981   5.539  -2.573
  318   1HH1  ARG  41          HH21      ARG  41 -13.645   4.750   0.723
  319   2HH1  ARG  41          HH22      ARG  41 -14.875   5.954   0.899
  320   1HH2  ARG  41          HH11      ARG  41 -14.581   7.115  -2.358
  321   2HH2  ARG  41          HH12      ARG  41 -15.404   7.297  -0.845
  322    H    GLU  42           HN       GLU  42  -7.520   5.358  -0.120
  323    HA   GLU  42           HA       GLU  42  -5.589   4.059  -1.985
  324   1HB   GLU  42           HB2      GLU  42  -4.219   6.204  -1.773
  325   2HB   GLU  42           HB1      GLU  42  -5.696   6.346  -2.727
  326   1HG   GLU  42           HG2      GLU  42  -6.562   7.855  -1.296
  327   2HG   GLU  42           HG1      GLU  42  -6.221   6.819   0.091
  328    H    ALA  43           HN       ALA  43  -3.619   3.423  -0.920
  329    HA   ALA  43           HA       ALA  43  -3.688   3.701   2.076
  330   1HB   ALA  43           HB3      ALA  43  -4.140   1.421   1.166
  331   2HB   ALA  43           HB2      ALA  43  -2.589   1.462   0.327
  332   3HB   ALA  43           HB1      ALA  43  -2.638   1.462   2.090
  333    H    VAL  44           HN       VAL  44  -1.752   4.487   3.022
  334    HA   VAL  44           HA       VAL  44   0.372   5.278   1.067
  335    HB   VAL  44           HB       VAL  44  -0.851   6.983   2.458
  336   1HG1  VAL  44          HG12      VAL  44  -0.752   5.207   4.455
  337   2HG1  VAL  44          HG11      VAL  44   0.723   6.095   4.836
  338   3HG1  VAL  44          HG13      VAL  44  -0.823   6.941   4.766
  339   1HG2  VAL  44          HG23      VAL  44   1.946   6.681   2.014
  340   2HG2  VAL  44          HG22      VAL  44   1.042   8.181   2.219
  341   3HG2  VAL  44          HG21      VAL  44   1.745   7.376   3.622
  342    H    VAL  45           HN       VAL  45   2.526   4.669   1.440
  343    HA   VAL  45           HA       VAL  45   3.070   3.001   3.849
  344    HB   VAL  45           HB       VAL  45   2.184   1.748   1.797
  345   1HG1  VAL  45          HG13      VAL  45   4.976   2.426   0.833
  346   2HG1  VAL  45          HG12      VAL  45   3.900   1.249   0.077
  347   3HG1  VAL  45          HG11      VAL  45   3.463   2.957   0.098
  348   1HG2  VAL  45          HG23      VAL  45   4.833   1.091   3.107
  349   2HG2  VAL  45          HG22      VAL  45   3.232   0.516   3.573
  350   3HG2  VAL  45          HG21      VAL  45   3.970  -0.049   2.074
  351    H    THR  46           HN       THR  46   5.157   2.959   4.503
  352    HA   THR  46           HA       THR  46   7.174   4.584   2.994
  353    HB   THR  46           HB       THR  46   6.506   4.082   5.889
  354    HG1  THR  46           HG1      THR  46   7.555   6.461   4.933
  355   1HG2  THR  46          HG22      THR  46   9.232   4.869   4.826
  356   2HG2  THR  46          HG21      THR  46   8.737   5.037   6.510
  357   3HG2  THR  46          HG23      THR  46   8.842   3.436   5.777
  358    H    PHE  47           HN       PHE  47   9.359   3.488   2.870
  359    HA   PHE  47           HA       PHE  47   9.669   0.856   4.040
  360   1HB   PHE  47           HB2      PHE  47   9.420  -0.448   1.992
  361   2HB   PHE  47           HB1      PHE  47   7.937   0.451   2.310
  362    HD1  PHE  47           HD2      PHE  47  11.073   0.442   0.259
  363    HD2  PHE  47           HD1      PHE  47   7.151   2.124   0.819
  364    HE1  PHE  47           HE2      PHE  47  11.227   1.543  -1.948
  365    HE2  PHE  47           HE1      PHE  47   7.316   3.219  -1.397
  366    HZ   PHE  47           HZ       PHE  47   9.349   2.930  -2.779
  367    H    ASP  48           HN       ASP  48  11.411  -0.406   2.691
  368    HA   ASP  48           HA       ASP  48  13.641   1.521   2.223
  369   1HB   ASP  48           HB2      ASP  48  13.504  -0.495   3.982
  370   2HB   ASP  48           HB1      ASP  48  14.021  -1.426   2.575
  371    H    ASP  49           HN       ASP  49  13.798   1.904   0.059
  372    HA   ASP  49           HA       ASP  49  12.736   0.203  -1.972
  373   1HB   ASP  49           HB2      ASP  49  13.279   2.686  -2.005
  374   2HB   ASP  49           HB1      ASP  49  14.965   2.229  -2.242
  375    H    THR  50           HN       THR  50  15.536  -0.217  -0.096
  376    HA   THR  50           HA       THR  50  17.325  -1.355  -2.054
  377    HB   THR  50           HB       THR  50  17.932  -0.517   0.216
  378    HG1  THR  50           HG1      THR  50  19.246  -2.360   0.741
  379   1HG2  THR  50          HG21      THR  50  15.759  -1.998   1.039
  380   2HG2  THR  50          HG23      THR  50  17.116  -2.994   1.564
  381   3HG2  THR  50          HG22      THR  50  16.987  -1.321   2.109
  382    H    LYS  51           HN       LYS  51  14.379  -2.480  -0.735
  383    HA   LYS  51           HA       LYS  51  14.922  -5.195  -1.825
  384   1HB   LYS  51           HB2      LYS  51  14.470  -4.365   0.946
  385   2HB   LYS  51           HB1      LYS  51  13.387  -5.659   0.427
  386   1HG   LYS  51           HG2      LYS  51  15.080  -7.172   0.217
  387   2HG   LYS  51           HG1      LYS  51  16.215  -5.967  -0.390
  388   1HD   LYS  51           HD2      LYS  51  16.673  -5.152   1.812
  389   2HD   LYS  51           HD1      LYS  51  15.321  -6.053   2.499
  390   1HE   LYS  51           HE2      LYS  51  17.223  -7.768   1.053
  391   2HE   LYS  51           HE1      LYS  51  17.933  -6.951   2.460
  392   1HZ   LYS  51           HZ3      LYS  51  15.241  -8.126   2.650
  393   2HZ   LYS  51           HZ2      LYS  51  16.601  -9.132   2.808
  394   3HZ   LYS  51           HZ1      LYS  51  16.371  -7.836   3.882
  395    H    ALA  52           HN       ALA  52  12.542  -2.841  -0.749
  396    HA   ALA  52           HA       ALA  52  10.510  -4.192  -2.496
  397   1HB   ALA  52           HB2      ALA  52  10.532  -3.396   0.292
  398   2HB   ALA  52           HB1      ALA  52   9.224  -2.584  -0.569
  399   3HB   ALA  52           HB3      ALA  52   9.324  -4.345  -0.577
  400    H    SER  53           HN       SER  53   8.624  -2.347  -2.782
  401    HA   SER  53           HA       SER  53   9.311   0.393  -3.003
  402   1HB   SER  53           HB2      SER  53  11.073  -0.169  -4.486
  403   2HB   SER  53           HB1      SER  53  10.114  -1.407  -5.291
  404    HG   SER  53           HG       SER  53   9.398   0.079  -6.584
  405    H    VAL  54           HN       VAL  54   7.875   1.469  -4.814
  406    HA   VAL  54           HA       VAL  54   5.190   1.073  -4.431
  407    HB   VAL  54           HB       VAL  54   5.933   2.911  -5.735
  408   1HG1  VAL  54          HG12      VAL  54   7.666   0.927  -6.879
  409   2HG1  VAL  54          HG11      VAL  54   6.817   1.761  -8.180
  410   3HG1  VAL  54          HG13      VAL  54   7.768   2.682  -7.015
  411   1HG2  VAL  54          HG22      VAL  54   3.805   1.558  -6.531
  412   2HG2  VAL  54          HG21      VAL  54   4.423   2.891  -7.505
  413   3HG2  VAL  54          HG23      VAL  54   4.802   1.228  -7.947
  414    H    GLN  55           HN       GLN  55   7.263  -0.867  -6.562
  415    HA   GLN  55           HA       GLN  55   5.219  -2.254  -7.983
  416   1HB   GLN  55           HB2      GLN  55   7.950  -2.181  -7.928
  417   2HB   GLN  55           HB1      GLN  55   7.647  -3.752  -7.187
  418   1HG   GLN  55           HG2      GLN  55   7.526  -4.467  -9.348
  419   2HG   GLN  55           HG1      GLN  55   5.883  -3.834  -9.256
  420   1HE2  GLN  55          HE22      GLN  55   6.650  -1.753 -11.997
  421   2HE2  GLN  55          HE21      GLN  55   5.637  -2.954 -11.355
  422    H    LYS  56           HN       LYS  56   6.944  -3.164  -4.983
  423    HA   LYS  56           HA       LYS  56   5.240  -5.478  -4.523
  424   1HB   LYS  56           HB2      LYS  56   7.229  -3.975  -2.791
  425   2HB   LYS  56           HB1      LYS  56   6.552  -5.557  -2.403
  426   1HG   LYS  56           HG2      LYS  56   8.301  -4.844  -4.770
  427   2HG   LYS  56           HG1      LYS  56   8.694  -5.936  -3.441
  428   1HD   LYS  56           HD2      LYS  56   6.655  -7.311  -4.174
  429   2HD   LYS  56           HD1      LYS  56   6.672  -6.345  -5.650
  430   1HE   LYS  56           HE2      LYS  56   9.253  -7.020  -5.654
  431   2HE   LYS  56           HE1      LYS  56   8.641  -8.395  -4.713
  432   1HZ   LYS  56           HZ1      LYS  56   6.892  -8.663  -6.419
  433   2HZ   LYS  56           HZ3      LYS  56   7.644  -7.464  -7.353
  434   3HZ   LYS  56           HZ2      LYS  56   8.455  -8.922  -7.032
  435    H    LEU  57           HN       LEU  57   4.981  -2.073  -3.743
  436    HA   LEU  57           HA       LEU  57   3.268  -2.435  -1.413
  437   1HB   LEU  57           HB2      LEU  57   3.585  -0.123  -3.359
  438   2HB   LEU  57           HB1      LEU  57   2.901  -0.020  -1.743
  439    HG   LEU  57           HG       LEU  57   5.751  -0.813  -2.395
  440   1HD1  LEU  57          HD11      LEU  57   4.397   1.734  -1.974
  441   2HD1  LEU  57          HD13      LEU  57   5.701   1.482  -0.814
  442   3HD1  LEU  57          HD12      LEU  57   6.036   1.420  -2.545
  443   1HD2  LEU  57          HD22      LEU  57   4.167  -0.630   0.168
  444   2HD2  LEU  57          HD21      LEU  57   5.264  -1.906  -0.362
  445   3HD2  LEU  57          HD23      LEU  57   5.909  -0.357   0.180
  446    H    THR  58           HN       THR  58   2.610  -1.227  -4.707
  447    HA   THR  58           HA       THR  58  -0.225  -1.494  -4.582
  448    HB   THR  58           HB       THR  58  -0.060  -1.205  -6.997
  449    HG1  THR  58           HG1      THR  58   1.740  -1.710  -8.087
  450   1HG2  THR  58          HG22      THR  58   1.509   0.347  -5.112
  451   2HG2  THR  58          HG21      THR  58   2.205   0.422  -6.731
  452   3HG2  THR  58          HG23      THR  58   0.529   0.901  -6.469
  453    H    LYS  59           HN       LYS  59   2.353  -3.809  -5.142
  454    HA   LYS  59           HA       LYS  59   0.646  -5.853  -6.273
  455   1HB   LYS  59           HB2      LYS  59   2.996  -5.791  -6.820
  456   2HB   LYS  59           HB1      LYS  59   3.441  -5.780  -5.113
  457   1HG   LYS  59           HG2      LYS  59   3.205  -8.028  -4.913
  458   2HG   LYS  59           HG1      LYS  59   1.737  -8.050  -5.890
  459   1HD   LYS  59           HD2      LYS  59   3.319  -7.591  -7.896
  460   2HD   LYS  59           HD1      LYS  59   4.606  -8.120  -6.811
  461   1HE   LYS  59           HE2      LYS  59   2.289  -9.920  -6.755
  462   2HE   LYS  59           HE1      LYS  59   3.044  -9.813  -8.358
  463   1HZ   LYS  59           HZ2      LYS  59   5.227  -9.909  -7.001
  464   2HZ   LYS  59           HZ1      LYS  59   4.255 -10.600  -5.790
  465   3HZ   LYS  59           HZ3      LYS  59   4.382 -11.352  -7.304
  466    H    ALA  60           HN       ALA  60   1.717  -4.921  -3.045
  467    HA   ALA  60           HA       ALA  60   0.911  -7.362  -1.749
  468   1HB   ALA  60           HB3      ALA  60   2.349  -5.102  -1.121
  469   2HB   ALA  60           HB2      ALA  60   0.858  -4.842  -0.220
  470   3HB   ALA  60           HB1      ALA  60   1.814  -6.297   0.057
  471    H    THR  61           HN       THR  61  -0.576  -4.151  -2.147
  472    HA   THR  61           HA       THR  61  -3.056  -4.853  -0.834
  473    HB   THR  61           HB       THR  61  -2.196  -2.542  -1.093
  474    HG1  THR  61           HG1      THR  61  -4.183  -1.775  -2.338
  475   1HG2  THR  61          HG23      THR  61  -2.574  -3.130  -4.039
  476   2HG2  THR  61          HG22      THR  61  -2.326  -1.511  -3.389
  477   3HG2  THR  61          HG21      THR  61  -1.065  -2.730  -3.219
  478    H    ALA  62           HN       ALA  62  -1.751  -4.968  -4.033
  479    HA   ALA  62           HA       ALA  62  -4.180  -5.533  -5.474
  480   1HB   ALA  62           HB1      ALA  62  -1.229  -6.003  -5.954
  481   2HB   ALA  62           HB3      ALA  62  -2.449  -6.426  -7.155
  482   3HB   ALA  62           HB2      ALA  62  -2.250  -4.747  -6.654
  483    H    ASP  63           HN       ASP  63  -1.844  -7.496  -3.703
  484    HA   ASP  63           HA       ASP  63  -3.120 -10.017  -4.589
  485   1HB   ASP  63           HB2      ASP  63  -0.606  -9.106  -3.438
  486   2HB   ASP  63           HB1      ASP  63  -1.245 -10.483  -2.544
  487    H    ALA  64           HN       ALA  64  -3.567  -7.656  -2.194
  488    HA   ALA  64           HA       ALA  64  -4.492  -9.449  -0.063
  489   1HB   ALA  64           HB1      ALA  64  -3.602  -6.836  -0.287
  490   2HB   ALA  64           HB3      ALA  64  -5.339  -6.627  -0.074
  491   3HB   ALA  64           HB2      ALA  64  -4.403  -7.505   1.135
  492    H    GLY  65           HN       GLY  65  -5.784  -7.683  -2.791
  493   1HA   GLY  65           HA2      GLY  65  -7.937  -9.007  -3.537
  494   2HA   GLY  65           HA1      GLY  65  -8.553  -8.421  -1.997
  495    H    TYR  66           HN       TYR  66  -6.421  -6.292  -3.814
  496    HA   TYR  66           HA       TYR  66  -8.766  -4.877  -4.970
  497   1HB   TYR  66           HB2      TYR  66  -6.745  -3.578  -3.130
  498   2HB   TYR  66           HB1      TYR  66  -8.201  -2.843  -3.793
  499    HD1  TYR  66           HD1      TYR  66 -10.424  -4.187  -3.287
  500    HD2  TYR  66           HD2      TYR  66  -6.796  -4.403  -1.029
  501    HE1  TYR  66           HE1      TYR  66 -11.704  -4.963  -1.325
  502    HE2  TYR  66           HE2      TYR  66  -8.056  -5.168   0.942
  503    HH   TYR  66           HH       TYR  66 -10.177  -5.339   1.832
  504    HA   PRO  67           HA       PRO  67  -5.390  -4.642  -8.031
  505   1HB   PRO  67           HB2      PRO  67  -7.321  -3.235  -9.670
  506   2HB   PRO  67           HB1      PRO  67  -6.670  -4.859  -9.912
  507   1HG   PRO  67           HG2      PRO  67  -9.309  -4.145  -9.053
  508   2HG   PRO  67           HG1      PRO  67  -8.640  -5.766  -9.262
  509   1HD   PRO  67           HD2      PRO  67  -9.286  -4.440  -6.789
  510   2HD   PRO  67           HD1      PRO  67  -8.559  -6.054  -7.000
  511    H    SER  68           HN       SER  68  -4.167  -3.033  -6.941
  512    HA   SER  68           HA       SER  68  -5.343  -0.299  -6.806
  513   1HB   SER  68           HB2      SER  68  -4.426  -1.723  -4.839
  514   2HB   SER  68           HB1      SER  68  -2.837  -1.289  -5.462
  515    HG   SER  68           HG       SER  68  -3.463   0.240  -3.958
  516    H    SER  69           HN       SER  69  -3.414   1.378  -6.705
  517    HA   SER  69           HA       SER  69  -1.456   0.948  -8.906
  518   1HB   SER  69           HB2      SER  69  -3.896   2.371  -9.085
  519   2HB   SER  69           HB1      SER  69  -2.640   3.598  -8.935
  520    HG   SER  69           HG       SER  69  -2.473   3.198 -11.013
  521    H    VAL  70           HN       VAL  70  -0.386   3.531  -8.835
  522    HA   VAL  70           HA       VAL  70   0.179   4.028  -5.966
  523    HB   VAL  70           HB       VAL  70   1.638   2.335  -7.246
  524   1HG1  VAL  70          HG11      VAL  70   1.831   4.413  -9.042
  525   2HG1  VAL  70          HG13      VAL  70   3.343   4.564  -8.148
  526   3HG1  VAL  70          HG12      VAL  70   2.947   3.049  -8.961
  527   1HG2  VAL  70          HG21      VAL  70   2.235   4.353  -5.275
  528   2HG2  VAL  70          HG23      VAL  70   2.883   2.719  -5.403
  529   3HG2  VAL  70          HG22      VAL  70   3.673   4.049  -6.248
  530    H    LYS  71           HN       LYS  71   1.101   6.138  -5.538
  531    HA   LYS  71           HA       LYS  71   0.860   8.022  -7.868
  532   1HB   LYS  71           HB2      LYS  71   0.258   8.787  -5.020
  533   2HB   LYS  71           HB1      LYS  71  -0.349   9.518  -6.504
  534   1HG   LYS  71           HG2      LYS  71  -1.171   6.828  -6.599
  535   2HG   LYS  71           HG1      LYS  71  -1.481   7.361  -4.949
  536   1HD   LYS  71           HD2      LYS  71  -2.317   9.517  -6.463
  537   2HD   LYS  71           HD1      LYS  71  -2.799   8.136  -7.447
  538   1HE   LYS  71           HE2      LYS  71  -3.653   7.213  -5.082
  539   2HE   LYS  71           HE1      LYS  71  -3.765   8.951  -4.738
  540   1HZ   LYS  71           HZ2      LYS  71  -4.714   8.890  -7.213
  541   2HZ   LYS  71           HZ1      LYS  71  -5.221   7.355  -6.690
  542   3HZ   LYS  71           HZ3      LYS  71  -5.710   8.742  -5.845
  543    H    GLN  72           HN       GLN  72   3.071   6.589  -6.607
  544    HA   GLN  72           HA       GLN  72   5.310   7.001  -5.900
  545   1HB   GLN  72           HB2      GLN  72   4.384   9.003  -7.826
  546   2HB   GLN  72           HB1      GLN  72   5.715   9.597  -6.833
  547   1HG   GLN  72           HG2      GLN  72   5.937   6.835  -7.950
  548   2HG   GLN  72           HG1      GLN  72   6.168   8.191  -9.054
  549   1HE2  GLN  72          HE22      GLN  72   9.288   7.166  -6.919
  550   2HE2  GLN  72          HE21      GLN  72   8.043   6.144  -7.452
   
  No H/Q in entry =         550
  Start of MODEL    8
    1   1H    ALA   1           HT1      ALA   1 -17.083   4.411  -1.229
    2   2H    ALA   1           HT3      ALA   1 -18.479   3.672  -0.613
    3   3H    ALA   1           HT2      ALA   1 -17.393   4.444   0.440
    4    HA   ALA   1           HA       ALA   1 -16.403   2.481   0.762
    5   1HB   ALA   1           HB2      ALA   1 -18.468   1.898  -1.285
    6   2HB   ALA   1           HB1      ALA   1 -17.178   0.703  -1.150
    7   3HB   ALA   1           HB3      ALA   1 -18.161   1.102   0.259
    8    H    THR   2           HN       THR   2 -14.862   4.307  -0.514
    9    HA   THR   2           HA       THR   2 -12.994   2.725  -1.973
   10    HB   THR   2           HB       THR   2 -14.389   3.076  -3.811
   11    HG1  THR   2           HG1      THR   2 -13.134   5.309  -4.518
   12   1HG2  THR   2          HG23      THR   2 -14.914   5.702  -2.502
   13   2HG2  THR   2          HG22      THR   2 -15.104   5.600  -4.252
   14   3HG2  THR   2          HG21      THR   2 -16.057   4.554  -3.200
   15    H    GLN   3           HN       GLN   3 -11.481   3.459  -0.549
   16    HA   GLN   3           HA       GLN   3 -11.145   6.426  -0.255
   17   1HB   GLN   3           HB2      GLN   3 -10.526   4.023   1.455
   18   2HB   GLN   3           HB1      GLN   3  -9.819   5.601   1.804
   19   1HG   GLN   3           HG2      GLN   3 -12.790   5.056   1.533
   20   2HG   GLN   3           HG1      GLN   3 -11.931   5.227   3.065
   21   1HE2  GLN   3          HE22      GLN   3 -11.695   8.763   2.852
   22   2HE2  GLN   3          HE21      GLN   3 -11.172   7.371   3.670
   23    H    THR   4           HN       THR   4  -8.963   7.258  -0.103
   24    HA   THR   4           HA       THR   4  -6.914   5.651  -1.598
   25    HB   THR   4           HB       THR   4  -7.504   8.634  -1.633
   26    HG1  THR   4           HG1      THR   4  -8.012   8.062  -3.868
   27   1HG2  THR   4          HG23      THR   4  -5.482   6.956  -3.141
   28   2HG2  THR   4          HG22      THR   4  -5.848   8.643  -3.504
   29   3HG2  THR   4          HG21      THR   4  -5.131   8.211  -1.952
   30    H    VAL   5           HN       VAL   5  -5.042   5.377  -0.396
   31    HA   VAL   5           HA       VAL   5  -4.368   7.394   1.707
   32    HB   VAL   5           HB       VAL   5  -5.515   5.761   2.921
   33   1HG1  VAL   5          HG12      VAL   5  -5.644   4.150   0.972
   34   2HG1  VAL   5          HG11      VAL   5  -4.033   3.589   1.420
   35   3HG1  VAL   5          HG13      VAL   5  -5.383   3.378   2.532
   36   1HG2  VAL   5          HG23      VAL   5  -3.271   6.210   3.855
   37   2HG2  VAL   5          HG22      VAL   5  -3.796   4.566   4.209
   38   3HG2  VAL   5          HG21      VAL   5  -2.627   4.858   2.924
   39    H    THR   6           HN       THR   6  -2.210   6.999   2.562
   40    HA   THR   6           HA       THR   6  -0.330   6.072   0.439
   41    HB   THR   6           HB       THR   6   1.137   7.593   2.096
   42    HG1  THR   6           HG1      THR   6  -0.322   9.303   2.795
   43   1HG2  THR   6          HG23      THR   6  -0.857   8.578   0.049
   44   2HG2  THR   6          HG22      THR   6   0.452   9.566   0.697
   45   3HG2  THR   6          HG21      THR   6   0.821   8.119  -0.242
   46    H    LEU   7           HN       LEU   7   1.596   4.878   1.328
   47    HA   LEU   7           HA       LEU   7   1.017   3.643   3.987
   48   1HB   LEU   7           HB2      LEU   7   1.125   2.524   1.289
   49   2HB   LEU   7           HB1      LEU   7   2.223   1.693   2.390
   50    HG   LEU   7           HG       LEU   7   0.481   1.082   3.854
   51   1HD1  LEU   7          HD11      LEU   7  -1.091   3.250   2.492
   52   2HD1  LEU   7          HD13      LEU   7  -1.882   2.004   3.454
   53   3HD1  LEU   7          HD12      LEU   7  -0.711   3.080   4.200
   54   1HD2  LEU   7          HD21      LEU   7   0.225   0.510   1.093
   55   2HD2  LEU   7          HD23      LEU   7  -0.416  -0.434   2.438
   56   3HD2  LEU   7          HD22      LEU   7  -1.404   0.819   1.687
   57    H    ALA   8           HN       ALA   8   2.904   2.908   5.106
   58    HA   ALA   8           HA       ALA   8   5.401   4.290   4.181
   59   1HB   ALA   8           HB2      ALA   8   4.152   4.831   6.373
   60   2HB   ALA   8           HB1      ALA   8   4.761   3.283   6.957
   61   3HB   ALA   8           HB3      ALA   8   5.890   4.556   6.492
   62    H    VAL   9           HN       VAL   9   6.432   2.660   2.965
   63    HA   VAL   9           HA       VAL   9   7.001   0.091   4.418
   64    HB   VAL   9           HB       VAL   9   5.705  -0.332   2.444
   65   1HG1  VAL   9          HG13      VAL   9   7.293   1.935   1.389
   66   2HG1  VAL   9          HG12      VAL   9   6.956   0.651   0.228
   67   3HG1  VAL   9          HG11      VAL   9   5.626   1.472   1.045
   68   1HG2  VAL   9          HG23      VAL   9   8.466  -1.103   2.577
   69   2HG2  VAL   9          HG22      VAL   9   7.116  -1.992   1.871
   70   3HG2  VAL   9          HG21      VAL   9   8.034  -0.854   0.885
   71    HA   PRO  10           HA       PRO  10  11.001   2.351   3.997
   72   1HB   PRO  10           HB2      PRO  10  11.807   1.433   6.531
   73   2HB   PRO  10           HB1      PRO  10  11.114   3.015   6.162
   74   1HG   PRO  10           HG2      PRO  10   9.910   0.817   7.623
   75   2HG   PRO  10           HG1      PRO  10   9.295   2.456   7.393
   76   1HD   PRO  10           HD2      PRO  10   8.401   0.016   6.107
   77   2HD   PRO  10           HD1      PRO  10   7.743   1.661   5.926
   78    H    GLY  11           HN       GLY  11  10.412  -0.398   2.943
   79   1HA   GLY  11           HA2      GLY  11  12.526  -2.115   4.007
   80   2HA   GLY  11           HA1      GLY  11  11.518  -2.467   2.602
   81    H    MET  12           HN       MET  12  12.133   0.247   1.481
   82    HA   MET  12           HA       MET  12  13.574   0.907  -0.294
   83   1HB   MET  12           HB2      MET  12  15.754   1.586   0.721
   84   2HB   MET  12           HB1      MET  12  14.377   2.033   1.728
   85   1HG   MET  12           HG2      MET  12  14.752   0.181   3.210
   86   2HG   MET  12           HG1      MET  12  15.942  -0.529   2.120
   87   1HE   MET  12           HE1      MET  12  17.892   0.981   1.178
   88   2HE   MET  12           HE3      MET  12  19.065   1.454   2.415
   89   3HE   MET  12           HE2      MET  12  18.428  -0.188   2.382
   90    H    THR  13           HN       THR  13  13.207  -1.487  -1.076
   91    HA   THR  13           HA       THR  13  15.635  -3.168  -0.925
   92    HB   THR  13           HB       THR  13  13.912  -4.322  -2.735
   93    HG1  THR  13           HG1      THR  13  12.153  -3.376  -0.816
   94   1HG2  THR  13          HG21      THR  13  14.075  -4.444   0.271
   95   2HG2  THR  13          HG23      THR  13  12.993  -5.501  -0.634
   96   3HG2  THR  13          HG22      THR  13  14.733  -5.577  -0.910
   97    H    CYS  14           HN       CYS  14  15.217  -0.428  -2.422
   98    HA   CYS  14           HA       CYS  14  16.229   0.529  -4.331
   99   1HB   CYS  14           HB2      CYS  14  17.633  -1.825  -3.696
  100   2HB   CYS  14           HB1      CYS  14  17.333  -1.926  -5.431
  101    HG   CYS  14           HG       CYS  14  18.563   0.702  -4.295
  102    H    ALA  15           HN       ALA  15  14.102   0.828  -5.271
  103    HA   ALA  15           HA       ALA  15  12.507   0.574  -6.995
  104   1HB   ALA  15           HB2      ALA  15  15.091  -0.079  -7.932
  105   2HB   ALA  15           HB1      ALA  15  14.015  -1.313  -8.589
  106   3HB   ALA  15           HB3      ALA  15  13.698   0.393  -8.905
  107    H    ALA  16           HN       ALA  16  12.552  -1.350  -4.707
  108    HA   ALA  16           HA       ALA  16  11.082  -3.583  -6.064
  109   1HB   ALA  16           HB3      ALA  16  13.530  -3.615  -4.508
  110   2HB   ALA  16           HB2      ALA  16  12.291  -4.599  -3.728
  111   3HB   ALA  16           HB1      ALA  16  12.767  -4.935  -5.393
  112    H    CYS  17           HN       CYS  17  11.683  -1.816  -3.029
  113    HA   CYS  17           HA       CYS  17   9.606  -2.830  -1.426
  114   1HB   CYS  17           HB2      CYS  17  11.459  -0.712  -1.444
  115   2HB   CYS  17           HB1      CYS  17   9.886   0.045  -1.191
  116    HG   CYS  17           HG       CYS  17  11.281  -1.892   0.762
  117    HA   PRO  18           HA       PRO  18   6.629   0.447  -3.325
  118   1HB   PRO  18           HB2      PRO  18   7.593   1.580  -5.704
  119   2HB   PRO  18           HB1      PRO  18   7.604   2.337  -4.108
  120   1HG   PRO  18           HG2      PRO  18   9.850   1.319  -5.658
  121   2HG   PRO  18           HG1      PRO  18   9.867   2.295  -4.187
  122   1HD   PRO  18           HD2      PRO  18  10.453  -0.515  -4.441
  123   2HD   PRO  18           HD1      PRO  18  10.437   0.470  -2.958
  124    H    ILE  19           HN       ILE  19   8.296  -1.951  -5.144
  125    HA   ILE  19           HA       ILE  19   6.301  -2.036  -7.326
  126    HB   ILE  19           HB       ILE  19   8.595  -3.902  -6.652
  127   1HG1  ILE  19          HG12      ILE  19   9.209  -1.426  -6.822
  128   2HG1  ILE  19          HG11      ILE  19  10.036  -2.499  -7.951
  129   1HG2  ILE  19          HG21      ILE  19   6.994  -3.303  -9.143
  130   2HG2  ILE  19          HG23      ILE  19   8.547  -4.138  -9.193
  131   3HG2  ILE  19          HG22      ILE  19   7.189  -4.854  -8.325
  132   1HD1  ILE  19          HD13      ILE  19   7.490  -1.532  -9.009
  133   2HD1  ILE  19          HD12      ILE  19   8.602  -0.216  -8.634
  134   3HD1  ILE  19          HD11      ILE  19   9.092  -1.496  -9.744
  135    H    THR  20           HN       THR  20   7.388  -4.008  -4.593
  136    HA   THR  20           HA       THR  20   5.341  -6.052  -4.967
  137    HB   THR  20           HB       THR  20   7.667  -5.391  -3.261
  138    HG1  THR  20           HG1      THR  20   6.520  -7.723  -4.378
  139   1HG2  THR  20          HG21      THR  20   5.883  -5.589  -1.551
  140   2HG2  THR  20          HG23      THR  20   5.480  -7.184  -2.185
  141   3HG2  THR  20          HG22      THR  20   7.056  -6.901  -1.445
  142    H    VAL  21           HN       VAL  21   5.957  -3.338  -2.737
  143    HA   VAL  21           HA       VAL  21   3.665  -3.658  -1.095
  144    HB   VAL  21           HB       VAL  21   5.393  -1.331  -1.952
  145   1HG1  VAL  21          HG11      VAL  21   3.094  -0.500  -1.463
  146   2HG1  VAL  21          HG13      VAL  21   3.180  -1.269   0.122
  147   3HG1  VAL  21          HG12      VAL  21   4.275   0.055  -0.277
  148   1HG2  VAL  21          HG23      VAL  21   5.452  -3.367   0.105
  149   2HG2  VAL  21          HG22      VAL  21   6.687  -2.180  -0.313
  150   3HG2  VAL  21          HG21      VAL  21   5.416  -1.763   0.835
  151    H    LYS  22           HN       LYS  22   4.160  -1.834  -4.112
  152    HA   LYS  22           HA       LYS  22   1.595  -0.635  -4.320
  153   1HB   LYS  22           HB2      LYS  22   3.395  -0.043  -5.806
  154   2HB   LYS  22           HB1      LYS  22   3.589  -1.715  -6.333
  155   1HG   LYS  22           HG2      LYS  22   1.203  -1.581  -7.222
  156   2HG   LYS  22           HG1      LYS  22   1.293   0.158  -6.941
  157   1HD   LYS  22           HD2      LYS  22   3.614  -0.201  -8.280
  158   2HD   LYS  22           HD1      LYS  22   2.656  -1.498  -8.994
  159   1HE   LYS  22           HE2      LYS  22   0.818   0.473  -9.104
  160   2HE   LYS  22           HE1      LYS  22   2.294   1.452  -9.213
  161   1HZ   LYS  22           HZ2      LYS  22   2.190  -1.030 -10.756
  162   2HZ   LYS  22           HZ1      LYS  22   1.269   0.277 -11.329
  163   3HZ   LYS  22           HZ3      LYS  22   2.944   0.446 -11.130
  164    H    LYS  23           HN       LYS  23   2.711  -3.670  -5.863
  165    HA   LYS  23           HA       LYS  23   0.014  -4.505  -6.531
  166   1HB   LYS  23           HB2      LYS  23   1.128  -6.345  -7.518
  167   2HB   LYS  23           HB1      LYS  23   2.305  -5.038  -7.626
  168   1HG   LYS  23           HG2      LYS  23   3.480  -5.855  -5.666
  169   2HG   LYS  23           HG1      LYS  23   2.235  -7.072  -5.379
  170   1HD   LYS  23           HD2      LYS  23   2.886  -7.671  -7.941
  171   2HD   LYS  23           HD1      LYS  23   4.436  -7.054  -7.369
  172   1HE   LYS  23           HE2      LYS  23   3.411  -8.732  -5.308
  173   2HE   LYS  23           HE1      LYS  23   3.258  -9.618  -6.839
  174   1HZ   LYS  23           HZ3      LYS  23   5.697  -8.103  -6.103
  175   2HZ   LYS  23           HZ2      LYS  23   5.503  -9.749  -5.729
  176   3HZ   LYS  23           HZ1      LYS  23   5.513  -9.238  -7.349
  177    H    ALA  24           HN       ALA  24   1.413  -4.301  -3.533
  178    HA   ALA  24           HA       ALA  24   0.536  -6.905  -2.525
  179   1HB   ALA  24           HB1      ALA  24   2.079  -4.544  -1.613
  180   2HB   ALA  24           HB3      ALA  24   1.195  -5.402  -0.353
  181   3HB   ALA  24           HB2      ALA  24   2.389  -6.256  -1.331
  182    H    LEU  25           HN       LEU  25  -0.074  -3.629  -1.320
  183    HA   LEU  25           HA       LEU  25  -2.608  -4.268  -0.191
  184   1HB   LEU  25           HB2      LEU  25  -2.853  -1.657  -0.402
  185   2HB   LEU  25           HB1      LEU  25  -1.665  -2.335   0.694
  186    HG   LEU  25           HG       LEU  25  -1.046  -0.386  -0.944
  187   1HD1  LEU  25          HD12      LEU  25   0.719  -2.724  -0.310
  188   2HD1  LEU  25          HD11      LEU  25   1.307  -1.214  -0.997
  189   3HD1  LEU  25          HD13      LEU  25   0.535  -1.226   0.581
  190   1HD2  LEU  25          HD23      LEU  25  -1.773  -1.720  -2.960
  191   2HD2  LEU  25          HD22      LEU  25  -0.194  -0.952  -3.050
  192   3HD2  LEU  25          HD21      LEU  25  -0.308  -2.669  -2.740
  193    H    SER  26           HN       SER  26  -1.566  -3.773  -3.410
  194    HA   SER  26           HA       SER  26  -4.187  -2.969  -4.470
  195   1HB   SER  26           HB2      SER  26  -2.218  -2.256  -5.642
  196   2HB   SER  26           HB1      SER  26  -1.532  -3.876  -5.616
  197    HG   SER  26           HG       SER  26  -2.433  -3.488  -7.635
  198    H    LYS  27           HN       LYS  27  -2.269  -5.928  -4.048
  199    HA   LYS  27           HA       LYS  27  -4.123  -7.610  -5.524
  200   1HB   LYS  27           HB2      LYS  27  -2.079  -8.644  -5.478
  201   2HB   LYS  27           HB1      LYS  27  -1.598  -7.787  -4.019
  202   1HG   LYS  27           HG2      LYS  27  -3.630  -9.995  -3.854
  203   2HG   LYS  27           HG1      LYS  27  -1.906 -10.373  -3.904
  204   1HD   LYS  27           HD2      LYS  27  -2.500  -8.188  -2.061
  205   2HD   LYS  27           HD1      LYS  27  -3.352  -9.671  -1.630
  206   1HE   LYS  27           HE2      LYS  27  -0.582 -10.202  -2.413
  207   2HE   LYS  27           HE1      LYS  27  -0.693  -9.109  -1.019
  208   1HZ   LYS  27           HZ1      LYS  27  -2.603 -11.275  -0.996
  209   2HZ   LYS  27           HZ3      LYS  27  -0.990 -11.786  -0.879
  210   3HZ   LYS  27           HZ2      LYS  27  -1.615 -10.686   0.254
  211    H    VAL  28           HN       VAL  28  -4.174  -6.129  -2.488
  212    HA   VAL  28           HA       VAL  28  -5.205  -7.785  -0.582
  213    HB   VAL  28           HB       VAL  28  -6.010  -5.050  -1.548
  214   1HG1  VAL  28          HG12      VAL  28  -7.515  -6.789   0.286
  215   2HG1  VAL  28          HG11      VAL  28  -7.082  -5.229   0.988
  216   3HG1  VAL  28          HG13      VAL  28  -8.013  -5.295  -0.509
  217   1HG2  VAL  28          HG23      VAL  28  -3.898  -5.964  -0.082
  218   2HG2  VAL  28          HG22      VAL  28  -4.549  -4.331   0.053
  219   3HG2  VAL  28          HG21      VAL  28  -5.044  -5.575   1.201
  220    H    GLU  29           HN       GLU  29  -7.729  -6.074  -2.443
  221    HA   GLU  29           HA       GLU  29  -8.974  -8.501  -3.435
  222   1HB   GLU  29           HB2      GLU  29  -9.364  -7.649  -0.685
  223   2HB   GLU  29           HB1      GLU  29 -10.897  -7.721  -1.553
  224   1HG   GLU  29           HG2      GLU  29  -9.972 -10.021  -2.424
  225   2HG   GLU  29           HG1      GLU  29  -8.928  -9.919  -1.005
  226    H    GLY  30           HN       GLY  30  -9.896  -5.268  -2.130
  227   1HA   GLY  30           HA2      GLY  30 -11.622  -4.943  -4.546
  228   2HA   GLY  30           HA1      GLY  30 -11.868  -4.093  -3.023
  229    H    VAL  31           HN       VAL  31  -8.583  -4.275  -3.968
  230    HA   VAL  31           HA       VAL  31  -7.983  -1.577  -3.998
  231    HB   VAL  31           HB       VAL  31  -6.369  -3.429  -4.260
  232   1HG1  VAL  31          HG13      VAL  31  -7.904  -3.776  -6.792
  233   2HG1  VAL  31          HG12      VAL  31  -6.167  -4.060  -6.869
  234   3HG1  VAL  31          HG11      VAL  31  -7.164  -4.992  -5.752
  235   1HG2  VAL  31          HG23      VAL  31  -6.431  -1.108  -6.141
  236   2HG2  VAL  31          HG22      VAL  31  -5.283  -1.479  -4.855
  237   3HG2  VAL  31          HG21      VAL  31  -5.187  -2.331  -6.396
  238    H    SER  32           HN       SER  32  -8.089   0.081  -5.362
  239    HA   SER  32           HA       SER  32  -9.648  -0.273  -7.894
  240   1HB   SER  32           HB2      SER  32 -11.063   0.923  -6.457
  241   2HB   SER  32           HB1      SER  32  -9.718   1.742  -5.669
  242    HG   SER  32           HG       SER  32  -9.418   2.923  -7.604
  243    H    LYS  33           HN       LYS  33  -6.779   0.836  -6.394
  244    HA   LYS  33           HA       LYS  33  -5.522   1.446  -8.935
  245   1HB   LYS  33           HB2      LYS  33  -6.578   3.480  -9.088
  246   2HB   LYS  33           HB1      LYS  33  -6.864   3.578  -7.356
  247   1HG   LYS  33           HG2      LYS  33  -4.629   4.326  -6.936
  248   2HG   LYS  33           HG1      LYS  33  -4.115   3.917  -8.574
  249   1HD   LYS  33           HD2      LYS  33  -6.299   5.641  -8.920
  250   2HD   LYS  33           HD1      LYS  33  -5.366   6.354  -7.604
  251   1HE   LYS  33           HE2      LYS  33  -3.300   6.138  -9.026
  252   2HE   LYS  33           HE1      LYS  33  -4.341   5.616 -10.365
  253   1HZ   LYS  33           HZ3      LYS  33  -5.674   7.748  -9.477
  254   2HZ   LYS  33           HZ2      LYS  33  -4.082   8.238  -9.142
  255   3HZ   LYS  33           HZ1      LYS  33  -4.530   7.820 -10.727
  256    H    VAL  34           HN       VAL  34  -3.227   2.188  -8.583
  257    HA   VAL  34           HA       VAL  34  -2.234   2.023  -5.790
  258    HB   VAL  34           HB       VAL  34  -0.983   0.186  -7.801
  259   1HG1  VAL  34          HG13      VAL  34  -0.480   0.737  -5.197
  260   2HG1  VAL  34          HG12      VAL  34  -1.592  -0.619  -5.017
  261   3HG1  VAL  34          HG11      VAL  34  -0.110  -0.815  -5.947
  262   1HG2  VAL  34          HG23      VAL  34  -3.478  -0.210  -7.945
  263   2HG2  VAL  34          HG22      VAL  34  -2.563  -1.594  -7.353
  264   3HG2  VAL  34          HG21      VAL  34  -3.459  -0.582  -6.220
  265    H    ASP  35           HN       ASP  35  -0.136   2.942  -5.564
  266    HA   ASP  35           HA       ASP  35   1.400   3.698  -7.974
  267   1HB   ASP  35           HB2      ASP  35  -0.449   5.451  -6.560
  268   2HB   ASP  35           HB1      ASP  35   1.192   6.097  -6.529
  269    H    VAL  36           HN       VAL  36   3.534   4.690  -7.277
  270    HA   VAL  36           HA       VAL  36   4.230   3.913  -4.462
  271    HB   VAL  36           HB       VAL  36   6.321   3.016  -5.380
  272   1HG1  VAL  36          HG13      VAL  36   3.733   2.113  -6.644
  273   2HG1  VAL  36          HG12      VAL  36   5.246   1.260  -6.950
  274   3HG1  VAL  36          HG11      VAL  36   4.616   1.376  -5.307
  275   1HG2  VAL  36          HG22      VAL  36   5.415   4.532  -7.724
  276   2HG2  VAL  36          HG21      VAL  36   7.041   4.000  -7.294
  277   3HG2  VAL  36          HG23      VAL  36   5.943   2.897  -8.124
  278    H    GLY  37           HN       GLY  37   6.157   5.065  -3.624
  279   1HA   GLY  37           HA2      GLY  37   7.048   7.461  -5.081
  280   2HA   GLY  37           HA1      GLY  37   6.133   7.776  -3.607
  281    H    PHE  38           HN       PHE  38   9.137   6.496  -4.894
  282    HA   PHE  38           HA       PHE  38  10.254   5.525  -2.434
  283   1HB   PHE  38           HB2      PHE  38  10.971   5.903  -5.177
  284   2HB   PHE  38           HB1      PHE  38  12.261   6.578  -4.180
  285    HD1  PHE  38           HD2      PHE  38  12.618   5.019  -1.913
  286    HD2  PHE  38           HD1      PHE  38  11.308   3.682  -5.778
  287    HE1  PHE  38           HE2      PHE  38  13.408   2.727  -1.387
  288    HE2  PHE  38           HE1      PHE  38  12.097   1.389  -5.252
  289    HZ   PHE  38           HZ       PHE  38  13.156   0.914  -3.061
  290    H    GLU  39           HN       GLU  39   9.770   8.744  -3.676
  291    HA   GLU  39           HA       GLU  39  11.807  10.224  -2.401
  292   1HB   GLU  39           HB2      GLU  39  10.232  11.240  -3.918
  293   2HB   GLU  39           HB1      GLU  39   8.865  10.758  -2.915
  294   1HG   GLU  39           HG2      GLU  39   9.020  12.836  -2.021
  295   2HG   GLU  39           HG1      GLU  39  10.415  12.206  -1.146
  296    H    LYS  40           HN       LYS  40   9.104   8.495  -1.071
  297    HA   LYS  40           HA       LYS  40   9.933   9.325   1.678
  298   1HB   LYS  40           HB2      LYS  40   7.288   9.531   0.285
  299   2HB   LYS  40           HB1      LYS  40   7.293   9.171   2.012
  300   1HG   LYS  40           HG2      LYS  40   9.106  11.355   1.178
  301   2HG   LYS  40           HG1      LYS  40   7.385  11.696   0.997
  302   1HD   LYS  40           HD2      LYS  40   7.299  12.124   3.203
  303   2HD   LYS  40           HD1      LYS  40   7.645  10.419   3.495
  304   1HE   LYS  40           HE2      LYS  40   9.327  11.727   4.667
  305   2HE   LYS  40           HE1      LYS  40  10.117  10.992   3.258
  306   1HZ   LYS  40           HZ3      LYS  40   9.445  13.061   2.018
  307   2HZ   LYS  40           HZ2      LYS  40   9.070  13.754   3.523
  308   3HZ   LYS  40           HZ1      LYS  40  10.663  13.272   3.179
  309    H    ARG  41           HN       ARG  41  10.059   6.838  -0.234
  310    HA   ARG  41           HA       ARG  41   9.680   4.503  -0.067
  311   1HB   ARG  41           HB2      ARG  41  10.928   5.682   2.209
  312   2HB   ARG  41           HB1      ARG  41   9.867   4.402   2.801
  313   1HG   ARG  41           HG2      ARG  41  11.826   3.216   2.331
  314   2HG   ARG  41           HG1      ARG  41  10.908   3.005   0.840
  315   1HD   ARG  41           HD2      ARG  41  13.166   3.651   0.219
  316   2HD   ARG  41           HD1      ARG  41  12.124   5.057  -0.066
  317    HE   ARG  41           HE       ARG  41  12.944   5.294   2.596
  318   1HH1  ARG  41          HH21      ARG  41  14.447   5.010  -0.503
  319   2HH1  ARG  41          HH22      ARG  41  15.844   5.927  -0.050
  320   1HH2  ARG  41          HH11      ARG  41  14.763   6.489   3.193
  321   2HH2  ARG  41          HH12      ARG  41  16.024   6.761   2.037
  322    H    GLU  42           HN       GLU  42   7.261   5.611  -0.409
  323    HA   GLU  42           HA       GLU  42   5.520   4.108   1.483
  324   1HB   GLU  42           HB2      GLU  42   4.063   6.199   1.548
  325   2HB   GLU  42           HB1      GLU  42   5.610   6.349   2.380
  326   1HG   GLU  42           HG2      GLU  42   5.568   8.308   1.117
  327   2HG   GLU  42           HG1      GLU  42   6.454   7.224   0.045
  328    H    ALA  43           HN       ALA  43   3.488   3.504   0.514
  329    HA   ALA  43           HA       ALA  43   3.412   3.893  -2.464
  330   1HB   ALA  43           HB1      ALA  43   3.822   1.597  -1.498
  331   2HB   ALA  43           HB3      ALA  43   2.227   1.687  -0.750
  332   3HB   ALA  43           HB2      ALA  43   2.379   1.693  -2.507
  333    H    VAL  44           HN       VAL  44   1.517   4.791  -3.320
  334    HA   VAL  44           HA       VAL  44  -0.615   5.490  -1.337
  335    HB   VAL  44           HB       VAL  44   0.675   7.270  -2.595
  336   1HG1  VAL  44          HG12      VAL  44   0.484   5.641  -4.722
  337   2HG1  VAL  44          HG11      VAL  44  -0.928   6.652  -5.026
  338   3HG1  VAL  44          HG13      VAL  44   0.670   7.386  -4.889
  339   1HG2  VAL  44          HG21      VAL  44  -2.015   7.126  -1.966
  340   2HG2  VAL  44          HG23      VAL  44  -1.170   8.587  -2.476
  341   3HG2  VAL  44          HG22      VAL  44  -2.043   7.615  -3.660
  342    H    VAL  45           HN       VAL  45  -2.203   3.962  -1.433
  343    HA   VAL  45           HA       VAL  45  -3.008   3.009  -4.159
  344    HB   VAL  45           HB       VAL  45  -2.996   1.609  -1.476
  345   1HG1  VAL  45          HG12      VAL  45  -4.671   1.108  -3.601
  346   2HG1  VAL  45          HG11      VAL  45  -3.306   0.050  -3.958
  347   3HG1  VAL  45          HG13      VAL  45  -4.160  -0.100  -2.422
  348   1HG2  VAL  45          HG21      VAL  45  -0.997   2.038  -3.496
  349   2HG2  VAL  45          HG23      VAL  45  -0.856   1.136  -1.989
  350   3HG2  VAL  45          HG22      VAL  45  -1.416   0.330  -3.451
  351    H    THR  46           HN       THR  46  -5.142   2.902  -4.610
  352    HA   THR  46           HA       THR  46  -7.066   4.042  -2.624
  353    HB   THR  46           HB       THR  46  -6.725   4.094  -5.618
  354    HG1  THR  46           HG1      THR  46  -6.130   5.983  -4.917
  355   1HG2  THR  46          HG21      THR  46  -9.303   4.204  -4.090
  356   2HG2  THR  46          HG23      THR  46  -9.110   5.184  -5.543
  357   3HG2  THR  46          HG22      THR  46  -8.956   3.431  -5.635
  358    H    PHE  47           HN       PHE  47  -9.281   2.903  -2.768
  359    HA   PHE  47           HA       PHE  47  -9.428   0.363  -4.149
  360   1HB   PHE  47           HB2      PHE  47  -9.223  -1.045  -2.138
  361   2HB   PHE  47           HB1      PHE  47  -7.744  -0.112  -2.385
  362    HD1  PHE  47           HD2      PHE  47 -10.974  -0.164  -0.481
  363    HD2  PHE  47           HD1      PHE  47  -7.006   1.471  -0.798
  364    HE1  PHE  47           HE2      PHE  47 -11.240   0.900   1.728
  365    HE2  PHE  47           HE1      PHE  47  -7.273   2.535   1.425
  366    HZ   PHE  47           HZ       PHE  47  -9.382   2.250   2.688
  367    H    ASP  48           HN       ASP  48 -11.224  -0.989  -2.981
  368    HA   ASP  48           HA       ASP  48 -13.444   0.928  -2.390
  369   1HB   ASP  48           HB2      ASP  48 -13.596  -1.989  -3.214
  370   2HB   ASP  48           HB1      ASP  48 -14.879  -0.782  -3.305
  371    H    ASP  49           HN       ASP  49 -13.825   1.040  -0.219
  372    HA   ASP  49           HA       ASP  49 -12.699  -0.711   1.709
  373   1HB   ASP  49           HB2      ASP  49 -13.357   1.466   2.364
  374   2HB   ASP  49           HB1      ASP  49 -14.969   1.279   1.674
  375    H    THR  50           HN       THR  50 -15.355  -1.232  -0.360
  376    HA   THR  50           HA       THR  50 -17.037  -2.858   1.327
  377    HB   THR  50           HB       THR  50 -17.619  -1.741  -0.853
  378    HG1  THR  50           HG1      THR  50 -18.318  -4.147   0.026
  379   1HG2  THR  50          HG21      THR  50 -15.332  -3.063  -1.739
  380   2HG2  THR  50          HG23      THR  50 -16.658  -3.944  -2.499
  381   3HG2  THR  50          HG22      THR  50 -16.495  -2.205  -2.749
  382    H    LYS  51           HN       LYS  51 -13.962  -3.433  -0.084
  383    HA   LYS  51           HA       LYS  51 -14.140  -6.313   0.669
  384   1HB   LYS  51           HB2      LYS  51 -13.378  -5.101  -1.996
  385   2HB   LYS  51           HB1      LYS  51 -12.884  -6.732  -1.542
  386   1HG   LYS  51           HG2      LYS  51 -15.253  -7.343  -1.178
  387   2HG   LYS  51           HG1      LYS  51 -15.739  -5.719  -1.664
  388   1HD   LYS  51           HD2      LYS  51 -13.990  -6.716  -3.677
  389   2HD   LYS  51           HD1      LYS  51 -15.175  -7.978  -3.337
  390   1HE   LYS  51           HE2      LYS  51 -17.015  -6.382  -3.683
  391   2HE   LYS  51           HE1      LYS  51 -15.844  -5.080  -3.975
  392   1HZ   LYS  51           HZ1      LYS  51 -14.873  -6.843  -5.632
  393   2HZ   LYS  51           HZ3      LYS  51 -16.467  -7.423  -5.628
  394   3HZ   LYS  51           HZ2      LYS  51 -16.147  -5.823  -6.101
  395    H    ALA  52           HN       ALA  52 -12.624  -3.513   1.246
  396    HA   ALA  52           HA       ALA  52 -10.200  -4.772   2.248
  397   1HB   ALA  52           HB3      ALA  52  -9.826  -4.634  -0.227
  398   2HB   ALA  52           HB2      ALA  52  -9.993  -2.882  -0.115
  399   3HB   ALA  52           HB1      ALA  52  -8.655  -3.694   0.698
  400    H    SER  53           HN       SER  53  -8.548  -2.602   2.480
  401    HA   SER  53           HA       SER  53  -9.688  -0.079   3.074
  402   1HB   SER  53           HB2      SER  53 -11.136  -1.006   4.660
  403   2HB   SER  53           HB1      SER  53  -9.969  -2.234   5.145
  404    HG   SER  53           HG       SER  53 -10.412   0.169   6.208
  405    H    VAL  54           HN       VAL  54  -8.214   1.239   4.477
  406    HA   VAL  54           HA       VAL  54  -5.521   1.097   3.915
  407    HB   VAL  54           HB       VAL  54  -7.269   2.296   5.948
  408   1HG1  VAL  54          HG13      VAL  54  -4.385   1.691   6.638
  409   2HG1  VAL  54          HG12      VAL  54  -5.250   3.058   7.342
  410   3HG1  VAL  54          HG11      VAL  54  -5.820   1.413   7.625
  411   1HG2  VAL  54          HG23      VAL  54  -4.897   3.109   4.283
  412   2HG2  VAL  54          HG22      VAL  54  -6.574   3.631   4.124
  413   3HG2  VAL  54          HG21      VAL  54  -5.595   4.202   5.477
  414    H    GLN  55           HN       GLN  55  -7.063  -0.329   6.818
  415    HA   GLN  55           HA       GLN  55  -4.862  -1.521   8.043
  416   1HB   GLN  55           HB2      GLN  55  -7.109  -1.560   8.963
  417   2HB   GLN  55           HB1      GLN  55  -7.693  -2.526   7.606
  418   1HG   GLN  55           HG2      GLN  55  -7.293  -3.927   9.611
  419   2HG   GLN  55           HG1      GLN  55  -6.231  -4.384   8.278
  420   1HE2  GLN  55          HE22      GLN  55  -3.758  -4.186  10.884
  421   2HE2  GLN  55          HE21      GLN  55  -4.801  -5.265  10.090
  422    H    LYS  56           HN       LYS  56  -6.833  -2.860   5.387
  423    HA   LYS  56           HA       LYS  56  -5.259  -5.269   5.104
  424   1HB   LYS  56           HB2      LYS  56  -7.322  -3.795   3.458
  425   2HB   LYS  56           HB1      LYS  56  -6.591  -5.296   2.888
  426   1HG   LYS  56           HG2      LYS  56  -8.082  -4.936   5.504
  427   2HG   LYS  56           HG1      LYS  56  -8.694  -5.765   4.073
  428   1HD   LYS  56           HD2      LYS  56  -6.216  -6.957   4.526
  429   2HD   LYS  56           HD1      LYS  56  -6.889  -6.746   6.143
  430   1HE   LYS  56           HE2      LYS  56  -8.864  -7.990   5.588
  431   2HE   LYS  56           HE1      LYS  56  -8.470  -7.966   3.858
  432   1HZ   LYS  56           HZ2      LYS  56  -6.712  -9.151   5.937
  433   2HZ   LYS  56           HZ1      LYS  56  -7.811 -10.057   5.010
  434   3HZ   LYS  56           HZ3      LYS  56  -6.523  -9.255   4.252
  435    H    LEU  57           HN       LEU  57  -4.984  -2.015   3.714
  436    HA   LEU  57           HA       LEU  57  -3.275  -2.765   1.508
  437   1HB   LEU  57           HB2      LEU  57  -3.418  -0.173   3.084
  438   2HB   LEU  57           HB1      LEU  57  -2.811  -0.363   1.442
  439    HG   LEU  57           HG       LEU  57  -5.660  -0.980   2.273
  440   1HD1  LEU  57          HD13      LEU  57  -4.382   1.519   1.995
  441   2HD1  LEU  57          HD12      LEU  57  -5.302   1.284   0.508
  442   3HD1  LEU  57          HD11      LEU  57  -6.118   1.216   2.071
  443   1HD2  LEU  57          HD22      LEU  57  -4.767  -2.151   0.231
  444   2HD2  LEU  57          HD21      LEU  57  -6.080  -1.032  -0.133
  445   3HD2  LEU  57          HD23      LEU  57  -4.411  -0.572  -0.470
  446    H    THR  58           HN       THR  58  -2.504  -1.157   4.609
  447    HA   THR  58           HA       THR  58   0.309  -1.442   4.488
  448    HB   THR  58           HB       THR  58  -0.756  -0.009   6.109
  449    HG1  THR  58           HG1      THR  58  -0.038  -1.233   8.135
  450   1HG2  THR  58          HG22      THR  58  -2.619  -2.110   6.270
  451   2HG2  THR  58          HG21      THR  58  -1.912  -1.984   7.881
  452   3HG2  THR  58          HG23      THR  58  -2.673  -0.577   7.140
  453    H    LYS  59           HN       LYS  59  -2.230  -3.733   5.352
  454    HA   LYS  59           HA       LYS  59  -0.494  -5.667   6.580
  455   1HB   LYS  59           HB2      LYS  59  -3.057  -5.335   6.725
  456   2HB   LYS  59           HB1      LYS  59  -3.119  -6.209   5.194
  457   1HG   LYS  59           HG2      LYS  59  -1.690  -8.006   6.361
  458   2HG   LYS  59           HG1      LYS  59  -2.117  -7.195   7.868
  459   1HD   LYS  59           HD2      LYS  59  -4.387  -7.712   7.660
  460   2HD   LYS  59           HD1      LYS  59  -4.277  -7.939   5.913
  461   1HE   LYS  59           HE2      LYS  59  -4.506 -10.124   7.060
  462   2HE   LYS  59           HE1      LYS  59  -2.909  -9.997   6.298
  463   1HZ   LYS  59           HZ3      LYS  59  -3.215  -8.932   9.003
  464   2HZ   LYS  59           HZ2      LYS  59  -3.169 -10.621   8.836
  465   3HZ   LYS  59           HZ1      LYS  59  -1.872  -9.673   8.281
  466    H    ALA  60           HN       ALA  60  -1.612  -5.039   3.273
  467    HA   ALA  60           HA       ALA  60  -0.677  -7.494   2.142
  468   1HB   ALA  60           HB2      ALA  60  -2.281  -5.600   1.298
  469   2HB   ALA  60           HB1      ALA  60  -0.797  -4.863   0.694
  470   3HB   ALA  60           HB3      ALA  60  -1.285  -6.459   0.123
  471    H    THR  61           HN       THR  61   0.827  -4.292   2.570
  472    HA   THR  61           HA       THR  61   3.279  -5.010   1.204
  473    HB   THR  61           HB       THR  61   2.563  -2.688   1.432
  474    HG1  THR  61           HG1      THR  61   4.723  -3.019   3.219
  475   1HG2  THR  61          HG23      THR  61   2.575  -3.365   4.372
  476   2HG2  THR  61          HG22      THR  61   2.656  -1.698   3.806
  477   3HG2  THR  61          HG21      THR  61   1.257  -2.695   3.411
  478    H    ALA  62           HN       ALA  62   2.028  -5.167   4.438
  479    HA   ALA  62           HA       ALA  62   4.454  -5.748   5.839
  480   1HB   ALA  62           HB2      ALA  62   1.615  -5.605   6.288
  481   2HB   ALA  62           HB1      ALA  62   2.230  -7.090   7.014
  482   3HB   ALA  62           HB3      ALA  62   2.911  -5.533   7.482
  483    H    ASP  63           HN       ASP  63   2.095  -7.737   4.091
  484    HA   ASP  63           HA       ASP  63   3.563 -10.219   4.754
  485   1HB   ASP  63           HB2      ASP  63   0.920  -9.397   3.918
  486   2HB   ASP  63           HB1      ASP  63   1.532 -10.637   2.822
  487    H    ALA  64           HN       ALA  64   3.757  -7.744   2.468
  488    HA   ALA  64           HA       ALA  64   4.552  -9.392   0.171
  489   1HB   ALA  64           HB1      ALA  64   3.706  -6.747   0.714
  490   2HB   ALA  64           HB3      ALA  64   5.351  -6.605   0.098
  491   3HB   ALA  64           HB2      ALA  64   4.116  -7.420  -0.863
  492    H    GLY  65           HN       GLY  65   6.001  -7.853   2.935
  493   1HA   GLY  65           HA2      GLY  65   8.261  -9.026   3.431
  494   2HA   GLY  65           HA1      GLY  65   8.718  -8.422   1.842
  495    H    TYR  66           HN       TYR  66   6.682  -6.344   3.766
  496    HA   TYR  66           HA       TYR  66   9.053  -4.857   4.781
  497   1HB   TYR  66           HB2      TYR  66   6.899  -3.620   3.055
  498   2HB   TYR  66           HB1      TYR  66   8.366  -2.843   3.636
  499    HD1  TYR  66           HD1      TYR  66  10.601  -4.092   2.991
  500    HD2  TYR  66           HD2      TYR  66   6.850  -4.476   0.964
  501    HE1  TYR  66           HE1      TYR  66  11.788  -4.804   0.950
  502    HE2  TYR  66           HE2      TYR  66   8.015  -5.181  -1.086
  503    HH   TYR  66           HH       TYR  66  10.527  -4.759  -2.022
  504    HA   PRO  67           HA       PRO  67   5.856  -4.574   8.005
  505   1HB   PRO  67           HB2      PRO  67   7.805  -3.208   9.617
  506   2HB   PRO  67           HB1      PRO  67   7.252  -4.877   9.785
  507   1HG   PRO  67           HG2      PRO  67   9.808  -3.948   8.845
  508   2HG   PRO  67           HG1      PRO  67   9.261  -5.615   9.046
  509   1HD   PRO  67           HD2      PRO  67   9.679  -4.183   6.579
  510   2HD   PRO  67           HD1      PRO  67   9.103  -5.856   6.784
  511    H    SER  68           HN       SER  68   4.675  -2.949   6.794
  512    HA   SER  68           HA       SER  68   5.765  -0.173   6.912
  513   1HB   SER  68           HB2      SER  68   5.222  -0.356   4.725
  514   2HB   SER  68           HB1      SER  68   4.333  -1.847   5.010
  515    HG   SER  68           HG       SER  68   2.562  -0.583   5.664
  516    H    SER  69           HN       SER  69   3.590   1.355   6.641
  517    HA   SER  69           HA       SER  69   1.590   0.656   8.725
  518   1HB   SER  69           HB2      SER  69   3.757   2.668   8.806
  519   2HB   SER  69           HB1      SER  69   2.168   3.299   9.229
  520    HG   SER  69           HG       SER  69   3.818   1.761  10.672
  521    H    VAL  70           HN       VAL  70   0.276   3.130   8.671
  522    HA   VAL  70           HA       VAL  70  -0.209   3.642   5.785
  523    HB   VAL  70           HB       VAL  70  -1.575   1.812   6.977
  524   1HG1  VAL  70          HG11      VAL  70  -2.024   3.811   8.803
  525   2HG1  VAL  70          HG13      VAL  70  -3.490   3.893   7.826
  526   3HG1  VAL  70          HG12      VAL  70  -3.043   2.383   8.620
  527   1HG2  VAL  70          HG21      VAL  70  -2.248   3.789   4.996
  528   2HG2  VAL  70          HG23      VAL  70  -2.794   2.115   5.099
  529   3HG2  VAL  70          HG22      VAL  70  -3.697   3.390   5.917
  530    H    LYS  71           HN       LYS  71  -1.250   5.684   5.342
  531    HA   LYS  71           HA       LYS  71  -1.183   7.566   7.685
  532   1HB   LYS  71           HB2      LYS  71  -0.823   8.423   4.829
  533   2HB   LYS  71           HB1      LYS  71  -0.176   9.163   6.292
  534   1HG   LYS  71           HG2      LYS  71   0.901   6.585   6.288
  535   2HG   LYS  71           HG1      LYS  71   0.992   7.104   4.604
  536   1HD   LYS  71           HD2      LYS  71   1.723   9.269   6.375
  537   2HD   LYS  71           HD1      LYS  71   2.711   7.845   6.704
  538   1HE   LYS  71           HE2      LYS  71   3.616   7.811   4.536
  539   2HE   LYS  71           HE1      LYS  71   2.265   8.742   3.857
  540   1HZ   LYS  71           HZ1      LYS  71   4.042   9.846   5.951
  541   2HZ   LYS  71           HZ3      LYS  71   4.398  10.015   4.302
  542   3HZ   LYS  71           HZ2      LYS  71   2.969  10.683   4.933
  543    H    GLN  72           HN       GLN  72  -3.306   5.931   6.449
  544    HA   GLN  72           HA       GLN  72  -5.580   6.154   5.750
  545   1HB   GLN  72           HB2      GLN  72  -5.000   7.450   8.088
  546   2HB   GLN  72           HB1      GLN  72  -5.716   8.760   7.148
  547   1HG   GLN  72           HG2      GLN  72  -7.075   6.087   7.186
  548   2HG   GLN  72           HG1      GLN  72  -7.261   7.163   8.571
  549   1HE2  GLN  72          HE22      GLN  72  -9.810   8.898   6.880
  550   2HE2  GLN  72          HE21      GLN  72  -9.267   8.178   8.318
   
  No H/Q in entry =         550
  Start of MODEL    9
    1   1H    ALA   1           HT3      ALA   1  17.828   3.876   0.675
    2   2H    ALA   1           HT2      ALA   1  18.684   3.212  -0.632
    3   3H    ALA   1           HT1      ALA   1  17.942   4.732  -0.784
    4    HA   ALA   1           HA       ALA   1  16.281   3.578  -1.766
    5   1HB   ALA   1           HB1      ALA   1  17.672   1.342  -0.306
    6   2HB   ALA   1           HB3      ALA   1  16.108   1.054  -1.067
    7   3HB   ALA   1           HB2      ALA   1  17.481   1.577  -2.043
    8    H    THR   2           HN       THR   2  14.862   4.945  -0.489
    9    HA   THR   2           HA       THR   2  13.211   3.509   1.405
   10    HB   THR   2           HB       THR   2  14.679   4.276   3.001
   11    HG1  THR   2           HG1      THR   2  12.595   5.141   3.374
   12   1HG2  THR   2          HG21      THR   2  15.035   6.741   1.292
   13   2HG2  THR   2          HG23      THR   2  15.747   6.558   2.894
   14   3HG2  THR   2          HG22      THR   2  16.225   5.473   1.588
   15    H    GLN   3           HN       GLN   3  11.587   3.850  -0.088
   16    HA   GLN   3           HA       GLN   3  10.956   6.695  -0.793
   17   1HB   GLN   3           HB2      GLN   3  10.913   4.106  -2.134
   18   2HB   GLN   3           HB1      GLN   3   9.395   4.980  -2.341
   19   1HG   GLN   3           HG2      GLN   3  11.342   6.944  -2.675
   20   2HG   GLN   3           HG1      GLN   3  12.018   5.536  -3.493
   21   1HE2  GLN   3          HE22      GLN   3   8.352   6.853  -4.840
   22   2HE2  GLN   3          HE21      GLN   3   8.690   6.924  -3.178
   23    H    THR   4           HN       THR   4   8.887   7.513  -0.520
   24    HA   THR   4           HA       THR   4   6.973   5.895   1.130
   25    HB   THR   4           HB       THR   4   7.507   8.885   1.197
   26    HG1  THR   4           HG1      THR   4   8.492   6.732   2.731
   27   1HG2  THR   4          HG22      THR   4   5.240   7.913   1.936
   28   2HG2  THR   4          HG21      THR   4   6.128   7.187   3.275
   29   3HG2  THR   4          HG23      THR   4   6.088   8.941   3.091
   30    H    VAL   5           HN       VAL   5   5.377   5.390  -0.372
   31    HA   VAL   5           HA       VAL   5   4.361   7.590  -2.140
   32    HB   VAL   5           HB       VAL   5   3.850   5.559  -3.603
   33   1HG1  VAL   5          HG11      VAL   5   5.775   7.170  -3.906
   34   2HG1  VAL   5          HG13      VAL   5   6.773   6.031  -3.001
   35   3HG1  VAL   5          HG12      VAL   5   6.068   5.553  -4.546
   36   1HG2  VAL   5          HG21      VAL   5   4.261   4.022  -1.541
   37   2HG2  VAL   5          HG23      VAL   5   4.829   3.484  -3.120
   38   3HG2  VAL   5          HG22      VAL   5   5.963   4.190  -1.969
   39    H    THR   6           HN       THR   6   2.073   7.268  -2.743
   40    HA   THR   6           HA       THR   6   0.506   6.044  -0.530
   41    HB   THR   6           HB       THR   6  -1.232   7.600  -1.820
   42    HG1  THR   6           HG1      THR   6   0.259   9.482  -2.429
   43   1HG2  THR   6          HG21      THR   6   0.025   7.791   0.518
   44   2HG2  THR   6          HG23      THR   6   0.838   9.122  -0.306
   45   3HG2  THR   6          HG22      THR   6  -0.916   9.137  -0.127
   46    H    LEU   7           HN       LEU   7  -1.469   4.846  -1.314
   47    HA   LEU   7           HA       LEU   7  -1.119   3.862  -4.115
   48   1HB   LEU   7           HB2      LEU   7  -0.885   2.521  -1.537
   49   2HB   LEU   7           HB1      LEU   7  -2.067   1.731  -2.576
   50    HG   LEU   7           HG       LEU   7  -0.482   1.361  -4.281
   51   1HD1  LEU   7          HD12      LEU   7   1.139   3.447  -2.863
   52   2HD1  LEU   7          HD11      LEU   7   1.892   2.322  -3.994
   53   3HD1  LEU   7          HD13      LEU   7   0.618   3.403  -4.542
   54   1HD2  LEU   7          HD23      LEU   7  -0.027   0.370  -1.742
   55   2HD2  LEU   7          HD22      LEU   7   0.778  -0.197  -3.202
   56   3HD2  LEU   7          HD21      LEU   7   1.551   1.018  -2.186
   57    H    ALA   8           HN       ALA   8  -3.074   2.958  -5.033
   58    HA   ALA   8           HA       ALA   8  -5.550   4.155  -3.820
   59   1HB   ALA   8           HB2      ALA   8  -4.294   4.430  -6.325
   60   2HB   ALA   8           HB1      ALA   8  -5.719   3.436  -6.625
   61   3HB   ALA   8           HB3      ALA   8  -5.893   5.023  -5.877
   62    H    VAL   9           HN       VAL   9  -6.904   2.622  -2.978
   63    HA   VAL   9           HA       VAL   9  -6.871  -0.143  -4.145
   64    HB   VAL   9           HB       VAL   9  -8.139   0.736  -1.549
   65   1HG1  VAL   9          HG11      VAL   9  -8.546  -1.551  -2.403
   66   2HG1  VAL   9          HG13      VAL   9  -6.808  -1.849  -2.371
   67   3HG1  VAL   9          HG12      VAL   9  -7.680  -1.551  -0.867
   68   1HG2  VAL   9          HG22      VAL   9  -5.778   1.591  -1.631
   69   2HG2  VAL   9          HG21      VAL   9  -6.061   0.399  -0.362
   70   3HG2  VAL   9          HG23      VAL   9  -5.239  -0.074  -1.849
   71    HA   PRO  10           HA       PRO  10 -10.901   1.469  -5.582
   72   1HB   PRO  10           HB2      PRO  10 -11.020  -0.560  -7.539
   73   2HB   PRO  10           HB1      PRO  10 -10.471   1.102  -7.777
   74   1HG   PRO  10           HG2      PRO  10  -8.897  -1.329  -7.782
   75   2HG   PRO  10           HG1      PRO  10  -8.380   0.316  -8.159
   76   1HD   PRO  10           HD2      PRO  10  -7.831  -1.221  -5.764
   77   2HD   PRO  10           HD1      PRO  10  -7.264   0.417  -6.173
   78    H    GLY  11           HN       GLY  11 -10.452  -0.657  -3.378
   79   1HA   GLY  11           HA2      GLY  11 -12.570  -2.609  -4.025
   80   2HA   GLY  11           HA1      GLY  11 -11.553  -2.625  -2.581
   81    H    MET  12           HN       MET  12 -11.853  -0.355  -1.331
   82    HA   MET  12           HA       MET  12 -13.337   0.823   0.083
   83   1HB   MET  12           HB2      MET  12 -13.734   1.532  -2.475
   84   2HB   MET  12           HB1      MET  12 -15.314   0.810  -2.169
   85   1HG   MET  12           HG2      MET  12 -14.380   2.573  -0.011
   86   2HG   MET  12           HG1      MET  12 -14.627   3.400  -1.548
   87   1HE   MET  12           HE2      MET  12 -16.369   2.876  -3.044
   88   2HE   MET  12           HE1      MET  12 -18.054   2.540  -2.657
   89   3HE   MET  12           HE3      MET  12 -17.362   4.130  -2.305
   90    H    THR  13           HN       THR  13 -13.422  -1.846   0.544
   91    HA   THR  13           HA       THR  13 -16.101  -2.957   0.299
   92    HB   THR  13           HB       THR  13 -13.570  -3.897   0.624
   93    HG1  THR  13           HG1      THR  13 -14.764  -5.877   1.356
   94   1HG2  THR  13          HG21      THR  13 -14.857  -3.940   3.358
   95   2HG2  THR  13          HG23      THR  13 -13.525  -4.992   2.886
   96   3HG2  THR  13          HG22      THR  13 -13.298  -3.244   2.914
   97    H    CYS  14           HN       CYS  14 -14.978  -0.449   2.089
   98    HA   CYS  14           HA       CYS  14 -16.053   0.762   3.801
   99   1HB   CYS  14           HB2      CYS  14 -18.024  -0.767   2.991
  100   2HB   CYS  14           HB1      CYS  14 -17.682  -1.678   4.463
  101    HG   CYS  14           HG       CYS  14 -17.884   1.215   5.198
  102    H    ALA  15           HN       ALA  15 -14.157   0.788   5.033
  103    HA   ALA  15           HA       ALA  15 -12.946   0.433   7.026
  104   1HB   ALA  15           HB1      ALA  15 -15.417   0.130   7.741
  105   2HB   ALA  15           HB3      ALA  15 -15.058  -1.597   7.733
  106   3HB   ALA  15           HB2      ALA  15 -14.169  -0.516   8.806
  107    H    ALA  16           HN       ALA  16 -12.331  -1.203   4.644
  108    HA   ALA  16           HA       ALA  16 -10.761  -3.262   6.016
  109   1HB   ALA  16           HB2      ALA  16 -13.379  -3.828   4.924
  110   2HB   ALA  16           HB1      ALA  16 -12.147  -4.772   4.083
  111   3HB   ALA  16           HB3      ALA  16 -12.306  -4.890   5.834
  112    H    CYS  17           HN       CYS  17 -11.938  -1.969   2.903
  113    HA   CYS  17           HA       CYS  17 -10.150  -3.062   1.096
  114   1HB   CYS  17           HB2      CYS  17 -11.465  -1.593  -0.004
  115   2HB   CYS  17           HB1      CYS  17 -11.712  -0.621   1.438
  116    HG   CYS  17           HG       CYS  17  -9.180   0.356   0.781
  117    HA   PRO  18           HA       PRO  18  -6.653  -0.077   2.413
  118   1HB   PRO  18           HB2      PRO  18  -7.182   1.558   4.582
  119   2HB   PRO  18           HB1      PRO  18  -7.450   2.007   2.893
  120   1HG   PRO  18           HG2      PRO  18  -9.423   1.407   4.980
  121   2HG   PRO  18           HG1      PRO  18  -9.653   2.212   3.424
  122   1HD   PRO  18           HD2      PRO  18 -10.346  -0.500   4.122
  123   2HD   PRO  18           HD1      PRO  18 -10.536   0.308   2.548
  124    H    ILE  19           HN       ILE  19  -8.468  -1.771   4.859
  125    HA   ILE  19           HA       ILE  19  -6.358  -1.761   6.887
  126    HB   ILE  19           HB       ILE  19  -8.899  -3.371   6.487
  127   1HG1  ILE  19          HG12      ILE  19  -8.308  -0.976   8.258
  128   2HG1  ILE  19          HG11      ILE  19  -9.184  -0.900   6.729
  129   1HG2  ILE  19          HG22      ILE  19  -7.045  -4.317   8.030
  130   2HG2  ILE  19          HG21      ILE  19  -7.434  -2.962   9.090
  131   3HG2  ILE  19          HG23      ILE  19  -8.669  -4.159   8.699
  132   1HD1  ILE  19          HD13      ILE  19 -10.605  -2.845   7.905
  133   2HD1  ILE  19          HD12      ILE  19 -10.049  -2.010   9.356
  134   3HD1  ILE  19          HD11      ILE  19 -10.984  -1.138   8.141
  135    H    THR  20           HN       THR  20  -7.776  -4.290   4.803
  136    HA   THR  20           HA       THR  20  -5.850  -6.311   5.397
  137    HB   THR  20           HB       THR  20  -8.090  -5.723   3.622
  138    HG1  THR  20           HG1      THR  20  -6.942  -8.147   4.539
  139   1HG2  THR  20          HG22      THR  20  -6.400  -5.908   1.847
  140   2HG2  THR  20          HG21      THR  20  -5.887  -7.466   2.493
  141   3HG2  THR  20          HG23      THR  20  -7.504  -7.283   1.812
  142    H    VAL  21           HN       VAL  21  -6.074  -3.715   3.017
  143    HA   VAL  21           HA       VAL  21  -3.784  -4.402   1.479
  144    HB   VAL  21           HB       VAL  21  -5.360  -1.900   2.078
  145   1HG1  VAL  21          HG13      VAL  21  -2.750  -2.165   0.643
  146   2HG1  VAL  21          HG12      VAL  21  -3.963  -1.084  -0.041
  147   3HG1  VAL  21          HG11      VAL  21  -3.372  -0.819   1.598
  148   1HG2  VAL  21          HG23      VAL  21  -4.987  -3.702  -0.330
  149   2HG2  VAL  21          HG22      VAL  21  -6.444  -3.513   0.639
  150   3HG2  VAL  21          HG21      VAL  21  -5.887  -2.187  -0.382
  151    H    LYS  22           HN       LYS  22  -4.263  -2.385   4.361
  152    HA   LYS  22           HA       LYS  22  -1.670  -1.307   4.662
  153   1HB   LYS  22           HB2      LYS  22  -3.462  -0.635   6.102
  154   2HB   LYS  22           HB1      LYS  22  -3.758  -2.294   6.620
  155   1HG   LYS  22           HG2      LYS  22  -2.095  -2.240   8.167
  156   2HG   LYS  22           HG1      LYS  22  -1.007  -1.349   7.101
  157   1HD   LYS  22           HD2      LYS  22  -2.355   0.718   7.543
  158   2HD   LYS  22           HD1      LYS  22  -3.302  -0.198   8.716
  159   1HE   LYS  22           HE2      LYS  22  -0.280   0.043   8.877
  160   2HE   LYS  22           HE1      LYS  22  -1.390   1.128   9.737
  161   1HZ   LYS  22           HZ1      LYS  22  -2.488  -1.218  10.296
  162   2HZ   LYS  22           HZ3      LYS  22  -0.869  -1.706  10.165
  163   3HZ   LYS  22           HZ2      LYS  22  -1.304  -0.503  11.283
  164    H    LYS  23           HN       LYS  23  -2.902  -4.528   5.570
  165    HA   LYS  23           HA       LYS  23  -0.441  -5.378   6.840
  166   1HB   LYS  23           HB2      LYS  23  -2.611  -7.084   5.610
  167   2HB   LYS  23           HB1      LYS  23  -1.563  -7.497   6.967
  168   1HG   LYS  23           HG2      LYS  23  -2.592  -5.472   8.166
  169   2HG   LYS  23           HG1      LYS  23  -3.817  -5.490   6.897
  170   1HD   LYS  23           HD2      LYS  23  -3.183  -7.682   8.885
  171   2HD   LYS  23           HD1      LYS  23  -4.702  -6.806   8.691
  172   1HE   LYS  23           HE2      LYS  23  -4.386  -7.817   6.170
  173   2HE   LYS  23           HE1      LYS  23  -3.657  -9.106   7.148
  174   1HZ   LYS  23           HZ3      LYS  23  -5.610  -8.993   8.616
  175   2HZ   LYS  23           HZ2      LYS  23  -6.324  -7.862   7.569
  176   3HZ   LYS  23           HZ1      LYS  23  -6.025  -9.447   7.035
  177    H    ALA  24           HN       ALA  24  -1.603  -5.384   3.560
  178    HA   ALA  24           HA       ALA  24   0.153  -7.386   2.521
  179   1HB   ALA  24           HB3      ALA  24  -1.902  -5.624   1.665
  180   2HB   ALA  24           HB2      ALA  24  -0.522  -5.360   0.601
  181   3HB   ALA  24           HB1      ALA  24  -1.207  -6.977   0.772
  182    H    LEU  25           HN       LEU  25   0.318  -3.818   2.291
  183    HA   LEU  25           HA       LEU  25   2.933  -3.705   1.137
  184   1HB   LEU  25           HB2      LEU  25   1.393  -1.739   2.854
  185   2HB   LEU  25           HB1      LEU  25   2.725  -1.333   1.771
  186    HG   LEU  25           HG       LEU  25   1.089  -2.728   0.089
  187   1HD1  LEU  25          HD12      LEU  25  -0.515  -1.869   2.353
  188   2HD1  LEU  25          HD11      LEU  25  -1.079  -1.153   0.842
  189   3HD1  LEU  25          HD13      LEU  25  -0.955  -2.905   0.994
  190   1HD2  LEU  25          HD21      LEU  25   1.901  -0.017   0.571
  191   2HD2  LEU  25          HD23      LEU  25   1.464  -0.775  -0.959
  192   3HD2  LEU  25          HD22      LEU  25   0.219  -0.026   0.041
  193    H    SER  26           HN       SER  26   1.840  -3.616   4.518
  194    HA   SER  26           HA       SER  26   4.423  -2.936   5.630
  195   1HB   SER  26           HB2      SER  26   3.296  -3.292   7.704
  196   2HB   SER  26           HB1      SER  26   2.048  -2.713   6.604
  197    HG   SER  26           HG       SER  26   1.623  -5.002   6.196
  198    H    LYS  27           HN       LYS  27   2.895  -5.956   4.648
  199    HA   LYS  27           HA       LYS  27   5.069  -7.453   5.980
  200   1HB   LYS  27           HB2      LYS  27   3.468  -9.015   6.295
  201   2HB   LYS  27           HB1      LYS  27   2.323  -7.874   5.611
  202   1HG   LYS  27           HG2      LYS  27   3.964  -9.739   3.884
  203   2HG   LYS  27           HG1      LYS  27   2.390 -10.193   4.533
  204   1HD   LYS  27           HD2      LYS  27   1.862  -7.710   3.491
  205   2HD   LYS  27           HD1      LYS  27   3.048  -8.337   2.344
  206   1HE   LYS  27           HE2      LYS  27   0.745  -8.973   1.667
  207   2HE   LYS  27           HE1      LYS  27   1.685 -10.413   2.103
  208   1HZ   LYS  27           HZ2      LYS  27   0.562  -9.268   4.429
  209   2HZ   LYS  27           HZ1      LYS  27  -0.670  -9.521   3.287
  210   3HZ   LYS  27           HZ3      LYS  27   0.305 -10.817   3.779
  211    H    VAL  28           HN       VAL  28   4.507  -6.005   3.033
  212    HA   VAL  28           HA       VAL  28   5.193  -7.724   0.980
  213    HB   VAL  28           HB       VAL  28   5.824  -4.897   1.723
  214   1HG1  VAL  28          HG12      VAL  28   7.227  -6.461  -0.434
  215   2HG1  VAL  28          HG11      VAL  28   6.872  -4.751  -0.679
  216   3HG1  VAL  28          HG13      VAL  28   7.890  -5.256   0.670
  217   1HG2  VAL  28          HG21      VAL  28   4.417  -6.300  -0.562
  218   2HG2  VAL  28          HG23      VAL  28   3.681  -5.362   0.736
  219   3HG2  VAL  28          HG22      VAL  28   4.649  -4.553  -0.495
  220    H    GLU  29           HN       GLU  29   7.782  -5.808   2.512
  221    HA   GLU  29           HA       GLU  29   9.437  -7.951   3.382
  222   1HB   GLU  29           HB2      GLU  29   9.263  -7.457   0.502
  223   2HB   GLU  29           HB1      GLU  29  10.923  -7.375   1.096
  224   1HG   GLU  29           HG2      GLU  29   9.664  -9.590   2.371
  225   2HG   GLU  29           HG1      GLU  29   9.316  -9.701   0.644
  226    H    GLY  30           HN       GLY  30  10.266  -5.238   1.214
  227   1HA   GLY  30           HA2      GLY  30  12.197  -4.224   3.160
  228   2HA   GLY  30           HA1      GLY  30  11.830  -3.500   1.592
  229    H    VAL  31           HN       VAL  31   8.865  -3.687   2.408
  230    HA   VAL  31           HA       VAL  31   8.434  -1.016   3.189
  231    HB   VAL  31           HB       VAL  31   6.760  -3.461   3.826
  232   1HG1  VAL  31          HG12      VAL  31   6.313  -0.504   3.858
  233   2HG1  VAL  31          HG11      VAL  31   4.985  -1.531   3.320
  234   3HG1  VAL  31          HG13      VAL  31   5.668  -1.744   4.932
  235   1HG2  VAL  31          HG21      VAL  31   7.191  -1.828   1.329
  236   2HG2  VAL  31          HG23      VAL  31   7.119  -3.581   1.503
  237   3HG2  VAL  31          HG22      VAL  31   5.642  -2.623   1.608
  238    H    SER  32           HN       SER  32   8.528   0.053   5.019
  239    HA   SER  32           HA       SER  32   9.010  -1.477   7.554
  240   1HB   SER  32           HB2      SER  32  10.082   1.258   6.823
  241   2HB   SER  32           HB1      SER  32  10.600   0.227   8.153
  242    HG   SER  32           HG       SER  32  10.839  -0.344   5.378
  243    H    LYS  33           HN       LYS  33   7.065   0.777   5.900
  244    HA   LYS  33           HA       LYS  33   5.591   1.320   8.432
  245   1HB   LYS  33           HB2      LYS  33   6.591   3.348   8.558
  246   2HB   LYS  33           HB1      LYS  33   7.304   3.168   6.963
  247   1HG   LYS  33           HG2      LYS  33   5.311   4.013   5.895
  248   2HG   LYS  33           HG1      LYS  33   4.412   3.957   7.411
  249   1HD   LYS  33           HD2      LYS  33   6.902   5.639   7.065
  250   2HD   LYS  33           HD1      LYS  33   5.285   6.258   6.725
  251   1HE   LYS  33           HE2      LYS  33   4.664   5.459   9.102
  252   2HE   LYS  33           HE1      LYS  33   6.414   5.341   9.377
  253   1HZ   LYS  33           HZ3      LYS  33   5.132   7.746   8.208
  254   2HZ   LYS  33           HZ2      LYS  33   5.389   7.572   9.879
  255   3HZ   LYS  33           HZ1      LYS  33   6.710   7.597   8.811
  256    H    VAL  34           HN       VAL  34   3.370   1.950   8.033
  257    HA   VAL  34           HA       VAL  34   2.387   1.975   5.246
  258    HB   VAL  34           HB       VAL  34   2.635  -0.398   5.775
  259   1HG1  VAL  34          HG13      VAL  34   1.554   0.520   8.360
  260   2HG1  VAL  34          HG12      VAL  34   0.862  -0.996   7.783
  261   3HG1  VAL  34          HG11      VAL  34   2.606  -0.850   8.003
  262   1HG2  VAL  34          HG23      VAL  34  -0.239   0.560   5.960
  263   2HG2  VAL  34          HG22      VAL  34   0.647   0.187   4.482
  264   3HG2  VAL  34          HG21      VAL  34   0.236  -1.100   5.612
  265    H    ASP  35           HN       ASP  35  -0.034   2.394   5.236
  266    HA   ASP  35           HA       ASP  35  -1.270   3.218   7.771
  267   1HB   ASP  35           HB2      ASP  35   0.387   5.005   6.301
  268   2HB   ASP  35           HB1      ASP  35  -1.277   5.559   6.108
  269    H    VAL  36           HN       VAL  36  -3.511   3.795   7.490
  270    HA   VAL  36           HA       VAL  36  -4.635   2.936   4.851
  271    HB   VAL  36           HB       VAL  36  -6.690   2.556   6.342
  272   1HG1  VAL  36          HG12      VAL  36  -4.498   0.969   5.783
  273   2HG1  VAL  36          HG11      VAL  36  -4.623   0.850   7.539
  274   3HG1  VAL  36          HG13      VAL  36  -5.997   0.408   6.526
  275   1HG2  VAL  36          HG21      VAL  36  -5.381   4.076   8.146
  276   2HG2  VAL  36          HG23      VAL  36  -6.557   2.851   8.619
  277   3HG2  VAL  36          HG22      VAL  36  -4.833   2.484   8.671
  278    H    GLY  37           HN       GLY  37  -5.208   4.699   3.650
  279   1HA   GLY  37           HA2      GLY  37  -6.342   7.067   5.074
  280   2HA   GLY  37           HA1      GLY  37  -5.514   7.155   3.520
  281    H    PHE  38           HN       PHE  38  -8.396   5.709   5.061
  282    HA   PHE  38           HA       PHE  38  -9.723   5.043   2.605
  283   1HB   PHE  38           HB2      PHE  38 -10.115   4.773   5.366
  284   2HB   PHE  38           HB1      PHE  38 -11.485   5.743   4.817
  285    HD1  PHE  38           HD2      PHE  38 -11.585   4.698   1.971
  286    HD2  PHE  38           HD1      PHE  38 -11.256   2.680   5.745
  287    HE1  PHE  38           HE2      PHE  38 -12.618   2.672   0.972
  288    HE2  PHE  38           HE1      PHE  38 -12.288   0.656   4.750
  289    HZ   PHE  38           HZ       PHE  38 -12.987   0.656   2.374
  290    H    GLU  39           HN       GLU  39  -9.132   8.066   4.132
  291    HA   GLU  39           HA       GLU  39 -11.416   9.592   3.413
  292   1HB   GLU  39           HB2      GLU  39  -8.466  10.123   3.755
  293   2HB   GLU  39           HB1      GLU  39  -9.545  11.426   3.257
  294   1HG   GLU  39           HG2      GLU  39 -10.972  10.960   5.247
  295   2HG   GLU  39           HG1      GLU  39  -9.808   9.740   5.764
  296    H    LYS  40           HN       LYS  40  -9.008   8.086   1.463
  297    HA   LYS  40           HA       LYS  40 -10.230   9.246  -0.982
  298   1HB   LYS  40           HB2      LYS  40  -7.293   9.320  -0.227
  299   2HB   LYS  40           HB1      LYS  40  -7.910   9.725  -1.829
  300   1HG   LYS  40           HG2      LYS  40  -9.407  11.438  -0.690
  301   2HG   LYS  40           HG1      LYS  40  -8.475  11.149   0.780
  302   1HD   LYS  40           HD2      LYS  40  -6.645  12.257  -0.006
  303   2HD   LYS  40           HD1      LYS  40  -6.860  11.646  -1.647
  304   1HE   LYS  40           HE2      LYS  40  -8.905  13.584  -0.648
  305   2HE   LYS  40           HE1      LYS  40  -7.303  14.224  -1.065
  306   1HZ   LYS  40           HZ1      LYS  40  -8.729  12.323  -2.828
  307   2HZ   LYS  40           HZ3      LYS  40  -8.975  13.996  -2.954
  308   3HZ   LYS  40           HZ2      LYS  40  -7.427  13.345  -3.211
  309    H    ARG  41           HN       ARG  41 -10.234   6.571   0.318
  310    HA   ARG  41           HA       ARG  41  -9.784   4.299  -0.227
  311   1HB   ARG  41           HB2      ARG  41 -10.671   5.887  -2.525
  312   2HB   ARG  41           HB1      ARG  41  -9.794   4.440  -3.009
  313   1HG   ARG  41           HG2      ARG  41 -12.335   4.195  -2.682
  314   2HG   ARG  41           HG1      ARG  41 -11.308   3.001  -1.889
  315   1HD   ARG  41           HD2      ARG  41 -13.155   3.966  -0.423
  316   2HD   ARG  41           HD1      ARG  41 -11.527   4.140   0.244
  317    HE   ARG  41           HE       ARG  41 -11.925   6.423  -1.327
  318   1HH1  ARG  41          HH21      ARG  41 -13.469   4.875   1.345
  319   2HH1  ARG  41          HH22      ARG  41 -14.086   6.352   2.006
  320   1HH2  ARG  41          HH11      ARG  41 -12.719   8.350  -0.475
  321   2HH2  ARG  41          HH12      ARG  41 -13.661   8.318   0.978
  322    H    GLU  42           HN       GLU  42  -7.372   5.288   0.472
  323    HA   GLU  42           HA       GLU  42  -5.572   4.097  -1.572
  324   1HB   GLU  42           HB2      GLU  42  -4.116   6.191  -1.301
  325   2HB   GLU  42           HB1      GLU  42  -5.618   6.409  -2.200
  326   1HG   GLU  42           HG2      GLU  42  -6.705   7.432  -0.350
  327   2HG   GLU  42           HG1      GLU  42  -5.463   6.889   0.778
  328    H    ALA  43           HN       ALA  43  -3.596   3.302  -0.674
  329    HA   ALA  43           HA       ALA  43  -3.430   3.446   2.327
  330   1HB   ALA  43           HB3      ALA  43  -3.978   1.226   1.134
  331   2HB   ALA  43           HB2      ALA  43  -2.332   1.278   0.503
  332   3HB   ALA  43           HB1      ALA  43  -2.607   1.184   2.242
  333    H    VAL  44           HN       VAL  44  -1.525   4.411   3.085
  334    HA   VAL  44           HA       VAL  44   0.568   5.008   1.031
  335    HB   VAL  44           HB       VAL  44  -0.632   6.834   2.294
  336   1HG1  VAL  44          HG13      VAL  44  -0.103   5.129   4.462
  337   2HG1  VAL  44          HG12      VAL  44   0.936   6.532   4.715
  338   3HG1  VAL  44          HG11      VAL  44  -0.807   6.745   4.538
  339   1HG2  VAL  44          HG21      VAL  44   1.955   6.719   1.508
  340   2HG2  VAL  44          HG23      VAL  44   1.253   8.143   2.275
  341   3HG2  VAL  44          HG22      VAL  44   2.186   6.994   3.235
  342    H    VAL  45           HN       VAL  45   2.721   4.393   1.387
  343    HA   VAL  45           HA       VAL  45   3.386   3.055   3.962
  344    HB   VAL  45           HB       VAL  45   3.436   1.736   1.235
  345   1HG1  VAL  45          HG11      VAL  45   5.119   1.183   3.284
  346   2HG1  VAL  45          HG13      VAL  45   3.743   0.179   3.743
  347   3HG1  VAL  45          HG12      VAL  45   4.517  -0.049   2.174
  348   1HG2  VAL  45          HG21      VAL  45   1.612   1.505   3.630
  349   2HG2  VAL  45          HG23      VAL  45   1.170   1.866   1.964
  350   3HG2  VAL  45          HG22      VAL  45   1.709   0.248   2.404
  351    H    THR  46           HN       THR  46   5.574   2.906   4.358
  352    HA   THR  46           HA       THR  46   7.428   4.264   2.438
  353    HB   THR  46           HB       THR  46   7.106   4.077   5.413
  354    HG1  THR  46           HG1      THR  46   7.095   6.180   5.218
  355   1HG2  THR  46          HG23      THR  46   9.723   4.203   3.952
  356   2HG2  THR  46          HG22      THR  46   9.529   5.080   5.470
  357   3HG2  THR  46          HG21      THR  46   9.313   3.330   5.429
  358    H    PHE  47           HN       PHE  47   9.631   3.159   2.279
  359    HA   PHE  47           HA       PHE  47   9.908   0.509   3.462
  360   1HB   PHE  47           HB2      PHE  47   9.586  -0.739   1.376
  361   2HB   PHE  47           HB1      PHE  47   8.127   0.173   1.765
  362    HD1  PHE  47           HD2      PHE  47  11.229   0.211  -0.334
  363    HD2  PHE  47           HD1      PHE  47   7.322   1.884   0.348
  364    HE1  PHE  47           HE2      PHE  47  11.363   1.404  -2.491
  365    HE2  PHE  47           HE1      PHE  47   7.461   3.078  -1.818
  366    HZ   PHE  47           HZ       PHE  47   9.468   2.837  -3.238
  367    H    ASP  48           HN       ASP  48  11.637  -0.747   2.159
  368    HA   ASP  48           HA       ASP  48  13.825   1.172   1.506
  369   1HB   ASP  48           HB2      ASP  48  13.878  -1.758   2.305
  370   2HB   ASP  48           HB1      ASP  48  15.285  -0.703   2.156
  371    H    ASP  49           HN       ASP  49  13.958   1.413  -0.687
  372    HA   ASP  49           HA       ASP  49  12.749  -0.193  -2.643
  373   1HB   ASP  49           HB2      ASP  49  13.545   1.962  -3.213
  374   2HB   ASP  49           HB1      ASP  49  15.166   1.614  -2.612
  375    H    THR  50           HN       THR  50  15.575  -0.894  -0.791
  376    HA   THR  50           HA       THR  50  16.974  -2.611  -2.618
  377    HB   THR  50           HB       THR  50  17.769  -3.549  -0.296
  378    HG1  THR  50           HG1      THR  50  17.077  -2.445   1.417
  379   1HG2  THR  50          HG21      THR  50  18.123  -0.812  -1.460
  380   2HG2  THR  50          HG23      THR  50  18.871  -1.175   0.096
  381   3HG2  THR  50          HG22      THR  50  19.288  -2.129  -1.328
  382    H    LYS  51           HN       LYS  51  14.425  -3.278  -0.199
  383    HA   LYS  51           HA       LYS  51  14.243  -6.069  -1.288
  384   1HB   LYS  51           HB2      LYS  51  14.584  -5.049   1.298
  385   2HB   LYS  51           HB1      LYS  51  12.891  -5.541   1.235
  386   1HG   LYS  51           HG2      LYS  51  13.481  -7.773   0.567
  387   2HG   LYS  51           HG1      LYS  51  15.166  -7.314   0.321
  388   1HD   LYS  51           HD2      LYS  51  15.335  -6.772   2.749
  389   2HD   LYS  51           HD1      LYS  51  13.684  -7.355   2.964
  390   1HE   LYS  51           HE2      LYS  51  14.337  -9.535   2.905
  391   2HE   LYS  51           HE1      LYS  51  15.417  -9.255   1.524
  392   1HZ   LYS  51           HZ2      LYS  51  15.998  -8.284   4.267
  393   2HZ   LYS  51           HZ1      LYS  51  16.574  -9.768   3.673
  394   3HZ   LYS  51           HZ3      LYS  51  17.052  -8.318   2.935
  395    H    ALA  52           HN       ALA  52  12.731  -3.116  -1.460
  396    HA   ALA  52           HA       ALA  52  10.184  -4.362  -2.327
  397   1HB   ALA  52           HB1      ALA  52  10.256  -3.684   0.198
  398   2HB   ALA  52           HB3      ALA  52  10.149  -2.034  -0.416
  399   3HB   ALA  52           HB2      ALA  52   8.865  -3.190  -0.767
  400    H    SER  53           HN       SER  53   8.731  -2.065  -2.684
  401    HA   SER  53           HA       SER  53   9.999   0.225  -3.738
  402   1HB   SER  53           HB2      SER  53  11.139  -0.789  -5.443
  403   2HB   SER  53           HB1      SER  53  10.135  -2.234  -5.371
  404    HG   SER  53           HG       SER  53   9.206  -1.443  -7.077
  405    H    VAL  54           HN       VAL  54   8.445   1.587  -4.856
  406    HA   VAL  54           HA       VAL  54   5.795   1.526  -4.103
  407    HB   VAL  54           HB       VAL  54   7.100   3.273  -5.422
  408   1HG1  VAL  54          HG13      VAL  54   7.813   1.698  -7.220
  409   2HG1  VAL  54          HG12      VAL  54   6.134   1.575  -7.744
  410   3HG1  VAL  54          HG11      VAL  54   6.984   3.115  -7.863
  411   1HG2  VAL  54          HG21      VAL  54   4.291   2.475  -6.227
  412   2HG2  VAL  54          HG23      VAL  54   4.756   3.627  -4.976
  413   3HG2  VAL  54          HG22      VAL  54   5.025   4.015  -6.675
  414    H    GLN  55           HN       GLN  55   7.212  -0.141  -6.919
  415    HA   GLN  55           HA       GLN  55   4.795  -1.132  -8.057
  416   1HB   GLN  55           HB2      GLN  55   7.238  -1.147  -8.902
  417   2HB   GLN  55           HB1      GLN  55   7.435  -2.607  -7.932
  418   1HG   GLN  55           HG2      GLN  55   6.849  -3.297 -10.172
  419   2HG   GLN  55           HG1      GLN  55   5.446  -3.581  -9.141
  420   1HE2  GLN  55          HE22      GLN  55   5.276  -0.670 -12.019
  421   2HE2  GLN  55          HE21      GLN  55   6.772  -1.350 -11.594
  422    H    LYS  56           HN       LYS  56   7.001  -2.595  -5.656
  423    HA   LYS  56           HA       LYS  56   5.453  -4.972  -5.233
  424   1HB   LYS  56           HB2      LYS  56   7.439  -3.471  -3.497
  425   2HB   LYS  56           HB1      LYS  56   6.900  -5.124  -3.198
  426   1HG   LYS  56           HG2      LYS  56   8.395  -4.120  -5.636
  427   2HG   LYS  56           HG1      LYS  56   9.009  -5.214  -4.397
  428   1HD   LYS  56           HD2      LYS  56   7.189  -6.832  -5.010
  429   2HD   LYS  56           HD1      LYS  56   6.755  -5.766  -6.347
  430   1HE   LYS  56           HE2      LYS  56   8.818  -6.134  -7.463
  431   2HE   LYS  56           HE1      LYS  56   9.577  -6.807  -6.006
  432   1HZ   LYS  56           HZ1      LYS  56   7.935  -8.603  -6.049
  433   2HZ   LYS  56           HZ3      LYS  56   7.288  -7.988  -7.491
  434   3HZ   LYS  56           HZ2      LYS  56   8.876  -8.591  -7.463
  435    H    LEU  57           HN       LEU  57   5.118  -1.691  -3.974
  436    HA   LEU  57           HA       LEU  57   3.501  -2.443  -1.673
  437   1HB   LEU  57           HB2      LEU  57   3.540   0.149  -3.252
  438   2HB   LEU  57           HB1      LEU  57   3.067  -0.055  -1.568
  439    HG   LEU  57           HG       LEU  57   5.848  -0.599  -2.643
  440   1HD1  LEU  57          HD12      LEU  57   4.580   1.847  -2.266
  441   2HD1  LEU  57          HD11      LEU  57   5.497   1.615  -0.778
  442   3HD1  LEU  57          HD13      LEU  57   6.320   1.581  -2.336
  443   1HD2  LEU  57          HD21      LEU  57   4.730  -1.634  -0.390
  444   2HD2  LEU  57          HD23      LEU  57   6.438  -1.207  -0.502
  445   3HD2  LEU  57          HD22      LEU  57   5.295  -0.086   0.238
  446    H    THR  58           HN       THR  58   2.740  -1.004  -4.861
  447    HA   THR  58           HA       THR  58  -0.082  -1.178  -4.717
  448    HB   THR  58           HB       THR  58   1.872  -1.424  -7.031
  449    HG1  THR  58           HG1      THR  58   2.102   0.597  -6.569
  450   1HG2  THR  58          HG23      THR  58  -1.085  -1.437  -6.914
  451   2HG2  THR  58          HG22      THR  58  -0.379  -0.333  -8.094
  452   3HG2  THR  58          HG21      THR  58  -0.004  -2.055  -8.162
  453    H    LYS  59           HN       LYS  59   2.362  -3.617  -5.521
  454    HA   LYS  59           HA       LYS  59   0.438  -5.578  -6.427
  455   1HB   LYS  59           HB2      LYS  59   3.257  -5.164  -6.363
  456   2HB   LYS  59           HB1      LYS  59   2.931  -6.716  -5.590
  457   1HG   LYS  59           HG2      LYS  59   1.316  -7.056  -7.655
  458   2HG   LYS  59           HG1      LYS  59   2.358  -5.844  -8.403
  459   1HD   LYS  59           HD2      LYS  59   3.806  -7.505  -8.870
  460   2HD   LYS  59           HD1      LYS  59   4.119  -7.621  -7.138
  461   1HE   LYS  59           HE2      LYS  59   2.499  -9.355  -6.854
  462   2HE   LYS  59           HE1      LYS  59   1.801  -9.060  -8.460
  463   1HZ   LYS  59           HZ1      LYS  59   4.111  -9.521  -9.338
  464   2HZ   LYS  59           HZ3      LYS  59   4.476 -10.150  -7.806
  465   3HZ   LYS  59           HZ2      LYS  59   3.257 -10.865  -8.747
  466    H    ALA  60           HN       ALA  60   1.921  -4.718  -3.355
  467    HA   ALA  60           HA       ALA  60   1.283  -7.129  -1.944
  468   1HB   ALA  60           HB1      ALA  60   2.820  -5.004  -1.454
  469   2HB   ALA  60           HB3      ALA  60   1.370  -4.449  -0.617
  470   3HB   ALA  60           HB2      ALA  60   2.146  -5.958  -0.133
  471    H    THR  61           HN       THR  61  -0.319  -3.943  -2.150
  472    HA   THR  61           HA       THR  61  -2.640  -4.688  -0.618
  473    HB   THR  61           HB       THR  61  -1.880  -2.360  -1.032
  474    HG1  THR  61           HG1      THR  61  -4.328  -2.708  -2.385
  475   1HG2  THR  61          HG22      THR  61  -2.584  -3.025  -3.902
  476   2HG2  THR  61          HG21      THR  61  -2.246  -1.398  -3.313
  477   3HG2  THR  61          HG23      THR  61  -0.985  -2.629  -3.274
  478    H    ALA  62           HN       ALA  62  -1.654  -4.854  -3.927
  479    HA   ALA  62           HA       ALA  62  -4.190  -5.551  -5.098
  480   1HB   ALA  62           HB2      ALA  62  -1.311  -6.064  -5.913
  481   2HB   ALA  62           HB1      ALA  62  -2.698  -6.289  -6.978
  482   3HB   ALA  62           HB3      ALA  62  -2.295  -4.678  -6.383
  483    H    ASP  63           HN       ASP  63  -1.689  -7.307  -3.404
  484    HA   ASP  63           HA       ASP  63  -2.767  -9.951  -4.164
  485   1HB   ASP  63           HB2      ASP  63  -0.285  -9.043  -3.617
  486   2HB   ASP  63           HB1      ASP  63  -0.753  -9.561  -1.996
  487    H    ALA  64           HN       ALA  64  -3.304  -7.532  -1.804
  488    HA   ALA  64           HA       ALA  64  -4.173  -9.319   0.349
  489   1HB   ALA  64           HB3      ALA  64  -3.400  -6.672   0.082
  490   2HB   ALA  64           HB2      ALA  64  -5.147  -6.537   0.283
  491   3HB   ALA  64           HB1      ALA  64  -4.178  -7.350   1.512
  492    H    GLY  65           HN       GLY  65  -5.573  -7.562  -2.365
  493   1HA   GLY  65           HA2      GLY  65  -7.648  -9.028  -3.118
  494   2HA   GLY  65           HA1      GLY  65  -8.285  -8.469  -1.577
  495    H    TYR  66           HN       TYR  66  -6.277  -6.406  -3.655
  496    HA   TYR  66           HA       TYR  66  -8.676  -5.022  -4.701
  497   1HB   TYR  66           HB2      TYR  66  -6.689  -3.670  -2.857
  498   2HB   TYR  66           HB1      TYR  66  -8.113  -2.930  -3.582
  499    HD1  TYR  66           HD1      TYR  66 -10.391  -4.006  -3.054
  500    HD2  TYR  66           HD2      TYR  66  -6.798  -4.686  -0.825
  501    HE1  TYR  66           HE1      TYR  66 -11.738  -4.762  -1.130
  502    HE2  TYR  66           HE2      TYR  66  -8.126  -5.436   1.104
  503    HH   TYR  66           HH       TYR  66 -10.390  -5.209   1.997
  504    HA   PRO  67           HA       PRO  67  -5.315  -4.708  -7.785
  505   1HB   PRO  67           HB2      PRO  67  -7.357  -3.486  -9.447
  506   2HB   PRO  67           HB1      PRO  67  -6.578  -5.057  -9.662
  507   1HG   PRO  67           HG2      PRO  67  -9.262  -4.541  -8.804
  508   2HG   PRO  67           HG1      PRO  67  -8.464  -6.108  -8.975
  509   1HD   PRO  67           HD2      PRO  67  -9.212  -4.780  -6.533
  510   2HD   PRO  67           HD1      PRO  67  -8.347  -6.329  -6.706
  511    H    SER  68           HN       SER  68  -4.229  -2.982  -6.694
  512    HA   SER  68           HA       SER  68  -5.590  -0.325  -6.676
  513   1HB   SER  68           HB2      SER  68  -4.929  -0.761  -4.526
  514   2HB   SER  68           HB1      SER  68  -3.610  -1.811  -5.033
  515    HG   SER  68           HG       SER  68  -2.925   0.224  -4.142
  516    H    SER  69           HN       SER  69  -3.762   1.477  -6.632
  517    HA   SER  69           HA       SER  69  -1.769   1.051  -8.806
  518   1HB   SER  69           HB2      SER  69  -2.547   3.358  -9.599
  519   2HB   SER  69           HB1      SER  69  -3.694   2.048  -9.864
  520    HG   SER  69           HG       SER  69  -4.969   3.375  -8.812
  521    H    VAL  70           HN       VAL  70  -0.830   3.708  -8.746
  522    HA   VAL  70           HA       VAL  70  -0.234   4.190  -5.887
  523    HB   VAL  70           HB       VAL  70   1.278   2.568  -7.118
  524   1HG1  VAL  70          HG12      VAL  70   1.383   3.816  -9.241
  525   2HG1  VAL  70          HG11      VAL  70   2.176   5.160  -8.419
  526   3HG1  VAL  70          HG13      VAL  70   2.999   3.607  -8.566
  527   1HG2  VAL  70          HG21      VAL  70   1.811   4.624  -5.236
  528   2HG2  VAL  70          HG23      VAL  70   2.720   3.131  -5.466
  529   3HG2  VAL  70          HG22      VAL  70   3.186   4.592  -6.337
  530    H    LYS  71           HN       LYS  71   0.689   6.258  -5.458
  531    HA   LYS  71           HA       LYS  71   0.449   8.229  -7.707
  532   1HB   LYS  71           HB2      LYS  71  -0.162   9.517  -5.242
  533   2HB   LYS  71           HB1      LYS  71  -1.265   9.201  -6.577
  534   1HG   LYS  71           HG2      LYS  71  -1.916   7.080  -5.641
  535   2HG   LYS  71           HG1      LYS  71  -0.642   7.165  -4.423
  536   1HD   LYS  71           HD2      LYS  71  -2.512   7.866  -3.217
  537   2HD   LYS  71           HD1      LYS  71  -1.812   9.400  -3.735
  538   1HE   LYS  71           HE2      LYS  71  -3.539   9.848  -5.188
  539   2HE   LYS  71           HE1      LYS  71  -3.739   8.141  -5.628
  540   1HZ   LYS  71           HZ3      LYS  71  -4.349   8.064  -3.039
  541   2HZ   LYS  71           HZ2      LYS  71  -4.897   9.628  -3.412
  542   3HZ   LYS  71           HZ1      LYS  71  -5.510   8.286  -4.256
  543    H    GLN  72           HN       GLN  72   2.692   6.811  -6.658
  544    HA   GLN  72           HA       GLN  72   4.293   8.216  -4.789
  545   1HB   GLN  72           HB2      GLN  72   6.126   7.007  -5.850
  546   2HB   GLN  72           HB1      GLN  72   4.701   5.968  -5.830
  547   1HG   GLN  72           HG2      GLN  72   4.683   5.849  -8.078
  548   2HG   GLN  72           HG1      GLN  72   4.714   7.607  -8.216
  549   1HE2  GLN  72          HE22      GLN  72   8.041   7.570  -9.329
  550   2HE2  GLN  72          HE21      GLN  72   6.512   8.306  -9.361
   
  No H/Q in entry =         550
  Start of MODEL   10
    1   1H    ALA   1           HT1      ALA   1 -17.642   0.574  -1.212
    2   2H    ALA   1           HT3      ALA   1 -16.787   0.524   0.251
    3   3H    ALA   1           HT2      ALA   1 -18.427   0.968   0.242
    4    HA   ALA   1           HA       ALA   1 -17.970   3.026  -0.832
    5   1HB   ALA   1           HB3      ALA   1 -17.144   2.247   1.678
    6   2HB   ALA   1           HB2      ALA   1 -15.686   2.993   1.023
    7   3HB   ALA   1           HB1      ALA   1 -17.187   3.916   1.110
    8    H    THR   2           HN       THR   2 -15.516   4.364  -0.744
    9    HA   THR   2           HA       THR   2 -13.593   2.964  -2.440
   10    HB   THR   2           HB       THR   2 -14.019   5.341  -3.766
   11    HG1  THR   2           HG1      THR   2 -16.549   4.206  -3.251
   12   1HG2  THR   2          HG22      THR   2 -14.521   2.494  -4.198
   13   2HG2  THR   2          HG21      THR   2 -15.575   3.534  -5.156
   14   3HG2  THR   2          HG23      THR   2 -13.824   3.689  -5.293
   15    H    GLN   3           HN       GLN   3 -12.190   3.399  -0.644
   16    HA   GLN   3           HA       GLN   3 -11.762   6.301  -0.015
   17   1HB   GLN   3           HB2      GLN   3 -11.869   3.794   1.497
   18   2HB   GLN   3           HB1      GLN   3 -10.481   4.798   1.922
   19   1HG   GLN   3           HG2      GLN   3 -12.705   6.543   1.660
   20   2HG   GLN   3           HG1      GLN   3 -13.242   5.174   2.632
   21   1HE2  GLN   3          HE22      GLN   3 -11.743   7.450   5.091
   22   2HE2  GLN   3          HE21      GLN   3 -13.158   7.340   4.160
   23    H    THR   4           HN       THR   4  -9.447   6.748   0.753
   24    HA   THR   4           HA       THR   4  -7.391   5.229  -0.780
   25    HB   THR   4           HB       THR   4  -7.427   8.226  -0.870
   26    HG1  THR   4           HG1      THR   4  -8.658   7.742  -2.943
   27   1HG2  THR   4          HG21      THR   4  -6.371   5.940  -2.490
   28   2HG2  THR   4          HG23      THR   4  -6.675   7.481  -3.292
   29   3HG2  THR   4          HG22      THR   4  -5.544   7.397  -1.941
   30    H    VAL   5           HN       VAL   5  -5.629   4.935   0.516
   31    HA   VAL   5           HA       VAL   5  -5.067   6.917   2.708
   32    HB   VAL   5           HB       VAL   5  -4.315   4.173   3.337
   33   1HG1  VAL   5          HG13      VAL   5  -5.824   6.443   4.569
   34   2HG1  VAL   5          HG12      VAL   5  -5.954   4.842   5.296
   35   3HG1  VAL   5          HG11      VAL   5  -4.377   5.617   5.145
   36   1HG2  VAL   5          HG21      VAL   5  -7.151   4.708   2.493
   37   2HG2  VAL   5          HG23      VAL   5  -6.172   3.257   2.274
   38   3HG2  VAL   5          HG22      VAL   5  -6.847   3.634   3.858
   39    H    THR   6           HN       THR   6  -2.800   6.843   3.384
   40    HA   THR   6           HA       THR   6  -0.993   6.020   1.165
   41    HB   THR   6           HB       THR   6   0.463   7.650   2.724
   42    HG1  THR   6           HG1      THR   6  -1.372   9.274   3.279
   43   1HG2  THR   6          HG21      THR   6  -1.686   8.408   0.746
   44   2HG2  THR   6          HG23      THR   6  -0.529   9.576   1.380
   45   3HG2  THR   6          HG22      THR   6   0.038   8.195   0.441
   46    H    LEU   7           HN       LEU   7   1.033   4.941   1.914
   47    HA   LEU   7           HA       LEU   7   0.711   3.713   4.620
   48   1HB   LEU   7           HB2      LEU   7   0.747   2.599   1.909
   49   2HB   LEU   7           HB1      LEU   7   1.915   1.818   2.973
   50    HG   LEU   7           HG       LEU   7   0.256   1.124   4.483
   51   1HD1  LEU   7          HD11      LEU   7  -1.481   3.215   3.209
   52   2HD1  LEU   7          HD13      LEU   7  -2.144   1.942   4.232
   53   3HD1  LEU   7          HD12      LEU   7  -0.980   3.081   4.890
   54   1HD2  LEU   7          HD23      LEU   7   0.102  -0.084   2.302
   55   2HD2  LEU   7          HD22      LEU   7  -1.452  -0.017   3.135
   56   3HD2  LEU   7          HD21      LEU   7  -1.129   1.068   1.784
   57    H    ALA   8           HN       ALA   8   2.694   2.987   5.569
   58    HA   ALA   8           HA       ALA   8   5.092   4.507   4.599
   59   1HB   ALA   8           HB1      ALA   8   3.931   3.734   7.249
   60   2HB   ALA   8           HB3      ALA   8   5.679   3.935   7.138
   61   3HB   ALA   8           HB2      ALA   8   4.609   5.279   6.737
   62    H    VAL   9           HN       VAL   9   6.287   3.050   3.380
   63    HA   VAL   9           HA       VAL   9   6.741   0.320   4.533
   64    HB   VAL   9           HB       VAL   9   5.630   0.121   2.447
   65   1HG1  VAL   9          HG12      VAL   9   7.204   2.564   1.789
   66   2HG1  VAL   9          HG11      VAL   9   6.830   1.476   0.452
   67   3HG1  VAL   9          HG13      VAL   9   5.526   2.171   1.414
   68   1HG2  VAL   9          HG23      VAL   9   8.266  -0.730   2.689
   69   2HG2  VAL   9          HG22      VAL   9   7.122  -1.264   1.457
   70   3HG2  VAL   9          HG21      VAL   9   8.235   0.060   1.113
   71    HA   PRO  10           HA       PRO  10  10.828   2.374   4.794
   72   1HB   PRO  10           HB2      PRO  10  11.455   0.887   7.092
   73   2HB   PRO  10           HB1      PRO  10  10.785   2.522   7.064
   74   1HG   PRO  10           HG2      PRO  10   9.494   0.053   7.884
   75   2HG   PRO  10           HG1      PRO  10   8.901   1.710   8.031
   76   1HD   PRO  10           HD2      PRO  10   8.075  -0.325   6.134
   77   2HD   PRO  10           HD1      PRO  10   7.429   1.323   6.330
   78    H    GLY  11           HN       GLY  11  10.321   0.115   3.015
   79   1HA   GLY  11           HA2      GLY  11  12.312  -1.931   3.778
   80   2HA   GLY  11           HA1      GLY  11  11.275  -1.979   2.350
   81    H    MET  12           HN       MET  12  11.759   0.395   1.131
   82    HA   MET  12           HA       MET  12  13.273   1.162  -0.540
   83   1HB   MET  12           HB2      MET  12  15.098   2.397   0.606
   84   2HB   MET  12           HB1      MET  12  13.560   2.602   1.435
   85   1HG   MET  12           HG2      MET  12  14.161   1.082   3.162
   86   2HG   MET  12           HG1      MET  12  15.527   0.459   2.239
   87   1HE   MET  12           HE2      MET  12  17.484   0.983   2.193
   88   2HE   MET  12           HE1      MET  12  18.366   2.410   2.732
   89   3HE   MET  12           HE3      MET  12  17.845   1.192   3.905
   90    H    THR  13           HN       THR  13  13.499  -1.394  -0.964
   91    HA   THR  13           HA       THR  13  16.051  -2.589  -0.292
   92    HB   THR  13           HB       THR  13  13.833  -3.681  -0.980
   93    HG1  THR  13           HG1      THR  13  16.201  -4.514  -1.146
   94   1HG2  THR  13          HG21      THR  13  14.104  -2.053  -3.151
   95   2HG2  THR  13          HG23      THR  13  14.632  -3.606  -3.795
   96   3HG2  THR  13          HG22      THR  13  13.035  -3.446  -3.060
   97    H    CYS  14           HN       CYS  14  15.290   0.018  -2.240
   98    HA   CYS  14           HA       CYS  14  16.717   1.309  -3.620
   99   1HB   CYS  14           HB2      CYS  14  18.367  -0.429  -2.314
  100   2HB   CYS  14           HB1      CYS  14  18.663  -0.875  -3.994
  101    HG   CYS  14           HG       CYS  14  19.025   1.866  -4.310
  102    H    ALA  15           HN       ALA  15  15.112  -1.441  -4.397
  103    HA   ALA  15           HA       ALA  15  14.994  -0.846  -7.212
  104   1HB   ALA  15           HB1      ALA  15  17.134  -2.511  -6.203
  105   2HB   ALA  15           HB3      ALA  15  16.103  -3.449  -7.284
  106   3HB   ALA  15           HB2      ALA  15  16.854  -1.958  -7.854
  107    H    ALA  16           HN       ALA  16  13.211  -1.476  -4.913
  108    HA   ALA  16           HA       ALA  16  11.328  -3.165  -6.266
  109   1HB   ALA  16           HB1      ALA  16  13.494  -4.489  -5.016
  110   2HB   ALA  16           HB3      ALA  16  12.071  -4.814  -4.027
  111   3HB   ALA  16           HB2      ALA  16  12.064  -5.222  -5.743
  112    H    CYS  17           HN       CYS  17  12.377  -1.602  -3.269
  113    HA   CYS  17           HA       CYS  17  10.331  -2.194  -1.491
  114   1HB   CYS  17           HB2      CYS  17  11.812  -0.718  -0.592
  115   2HB   CYS  17           HB1      CYS  17  12.096   0.094  -2.122
  116    HG   CYS  17           HG       CYS  17   9.509   0.699  -0.462
  117    HA   PRO  18           HA       PRO  18   7.354   0.912  -3.608
  118   1HB   PRO  18           HB2      PRO  18   8.190   1.908  -6.059
  119   2HB   PRO  18           HB1      PRO  18   8.440   2.701  -4.500
  120   1HG   PRO  18           HG2      PRO  18  10.405   1.397  -6.243
  121   2HG   PRO  18           HG1      PRO  18  10.672   2.497  -4.887
  122   1HD   PRO  18           HD2      PRO  18  11.013  -0.365  -4.919
  123   2HD   PRO  18           HD1      PRO  18  11.232   0.746  -3.546
  124    H    ILE  19           HN       ILE  19   8.875  -1.608  -5.473
  125    HA   ILE  19           HA       ILE  19   6.695  -1.686  -7.481
  126    HB   ILE  19           HB       ILE  19   9.299  -3.135  -6.990
  127   1HG1  ILE  19          HG12      ILE  19   8.521  -1.875  -9.578
  128   2HG1  ILE  19          HG11      ILE  19   8.817  -0.789  -8.220
  129   1HG2  ILE  19          HG22      ILE  19   6.949  -4.077  -8.471
  130   2HG2  ILE  19          HG21      ILE  19   8.399  -3.985  -9.470
  131   3HG2  ILE  19          HG23      ILE  19   8.404  -4.956  -7.998
  132   1HD1  ILE  19          HD11      ILE  19  10.968  -2.300  -7.898
  133   2HD1  ILE  19          HD13      ILE  19  10.713  -2.648  -9.608
  134   3HD1  ILE  19          HD12      ILE  19  10.968  -0.986  -9.074
  135    H    THR  20           HN       THR  20   7.925  -3.578  -4.778
  136    HA   THR  20           HA       THR  20   6.112  -5.797  -5.082
  137    HB   THR  20           HB       THR  20   8.142  -4.706  -3.196
  138    HG1  THR  20           HG1      THR  20   7.765  -7.382  -3.949
  139   1HG2  THR  20          HG22      THR  20   6.165  -6.854  -2.414
  140   2HG2  THR  20          HG21      THR  20   7.630  -6.447  -1.520
  141   3HG2  THR  20          HG23      THR  20   6.331  -5.264  -1.667
  142    H    VAL  21           HN       VAL  21   6.139  -2.775  -3.208
  143    HA   VAL  21           HA       VAL  21   3.820  -3.379  -1.636
  144    HB   VAL  21           HB       VAL  21   4.958  -0.720  -2.563
  145   1HG1  VAL  21          HG11      VAL  21   3.004  -1.560  -0.447
  146   2HG1  VAL  21          HG13      VAL  21   4.041  -0.166  -0.149
  147   3HG1  VAL  21          HG12      VAL  21   2.946  -0.171  -1.532
  148   1HG2  VAL  21          HG22      VAL  21   6.568  -2.375  -1.440
  149   2HG2  VAL  21          HG21      VAL  21   6.418  -0.794  -0.676
  150   3HG2  VAL  21          HG23      VAL  21   5.582  -2.187   0.009
  151    H    LYS  22           HN       LYS  22   4.354  -1.647  -4.685
  152    HA   LYS  22           HA       LYS  22   1.744  -0.751  -5.238
  153   1HB   LYS  22           HB2      LYS  22   3.926  -0.373  -6.489
  154   2HB   LYS  22           HB1      LYS  22   3.689  -1.960  -7.224
  155   1HG   LYS  22           HG2      LYS  22   2.320  -1.041  -8.749
  156   2HG   LYS  22           HG1      LYS  22   1.234  -0.533  -7.456
  157   1HD   LYS  22           HD2      LYS  22   2.670   1.495  -7.120
  158   2HD   LYS  22           HD1      LYS  22   3.610   1.010  -8.532
  159   1HE   LYS  22           HE2      LYS  22   0.624   1.212  -8.799
  160   2HE   LYS  22           HE1      LYS  22   1.595   2.697  -8.831
  161   1HZ   LYS  22           HZ2      LYS  22   2.954   0.792 -10.340
  162   2HZ   LYS  22           HZ1      LYS  22   1.333   0.735 -10.845
  163   3HZ   LYS  22           HZ3      LYS  22   2.185   2.199 -10.901
  164    H    LYS  23           HN       LYS  23   3.190  -3.934  -6.064
  165    HA   LYS  23           HA       LYS  23   0.687  -4.943  -7.158
  166   1HB   LYS  23           HB2      LYS  23   3.224  -6.352  -6.280
  167   2HB   LYS  23           HB1      LYS  23   1.994  -7.017  -7.355
  168   1HG   LYS  23           HG2      LYS  23   2.758  -4.453  -8.366
  169   2HG   LYS  23           HG1      LYS  23   4.227  -5.373  -8.041
  170   1HD   LYS  23           HD2      LYS  23   3.695  -7.030  -9.571
  171   2HD   LYS  23           HD1      LYS  23   1.959  -6.759  -9.420
  172   1HE   LYS  23           HE2      LYS  23   3.674  -4.573 -10.576
  173   2HE   LYS  23           HE1      LYS  23   3.197  -5.943 -11.600
  174   1HZ   LYS  23           HZ3      LYS  23   1.135  -4.801  -9.885
  175   2HZ   LYS  23           HZ2      LYS  23   1.620  -3.853 -11.209
  176   3HZ   LYS  23           HZ1      LYS  23   1.013  -5.419 -11.459
  177    H    ALA  24           HN       ALA  24   1.967  -4.691  -3.981
  178    HA   ALA  24           HA       ALA  24   0.660  -6.978  -2.820
  179   1HB   ALA  24           HB1      ALA  24   2.277  -4.660  -2.036
  180   2HB   ALA  24           HB3      ALA  24   1.097  -5.128  -0.813
  181   3HB   ALA  24           HB2      ALA  24   2.285  -6.299  -1.384
  182    H    LEU  25           HN       LEU  25   0.018  -3.488  -2.502
  183    HA   LEU  25           HA       LEU  25  -2.592  -3.836  -1.323
  184   1HB   LEU  25           HB2      LEU  25  -1.269  -1.502  -2.736
  185   2HB   LEU  25           HB1      LEU  25  -2.632  -1.392  -1.617
  186    HG   LEU  25           HG       LEU  25  -0.846  -2.823  -0.129
  187   1HD1  LEU  25          HD11      LEU  25   0.642  -1.356  -2.202
  188   2HD1  LEU  25          HD13      LEU  25   1.194  -1.060  -0.554
  189   3HD1  LEU  25          HD12      LEU  25   1.153  -2.706  -1.189
  190   1HD2  LEU  25          HD22      LEU  25  -1.910  -0.149  -0.259
  191   2HD2  LEU  25          HD21      LEU  25  -1.440  -1.081   1.163
  192   3HD2  LEU  25          HD23      LEU  25  -0.245  -0.096   0.321
  193    H    SER  26           HN       SER  26  -1.400  -3.479  -4.612
  194    HA   SER  26           HA       SER  26  -3.970  -2.834  -5.815
  195   1HB   SER  26           HB2      SER  26  -2.727  -3.087  -7.863
  196   2HB   SER  26           HB1      SER  26  -1.600  -2.409  -6.691
  197    HG   SER  26           HG       SER  26  -1.728  -4.961  -7.815
  198    H    LYS  27           HN       LYS  27  -2.295  -5.792  -4.892
  199    HA   LYS  27           HA       LYS  27  -4.459  -7.334  -6.236
  200   1HB   LYS  27           HB2      LYS  27  -2.770  -8.637  -6.973
  201   2HB   LYS  27           HB1      LYS  27  -1.633  -7.552  -6.191
  202   1HG   LYS  27           HG2      LYS  27  -2.985  -9.898  -4.820
  203   2HG   LYS  27           HG1      LYS  27  -1.353  -9.931  -5.483
  204   1HD   LYS  27           HD2      LYS  27  -1.315  -7.650  -3.927
  205   2HD   LYS  27           HD1      LYS  27  -2.323  -8.744  -2.980
  206   1HE   LYS  27           HE2      LYS  27   0.382  -9.528  -4.119
  207   2HE   LYS  27           HE1      LYS  27   0.132  -8.966  -2.455
  208   1HZ   LYS  27           HZ2      LYS  27  -1.829 -10.741  -2.664
  209   2HZ   LYS  27           HZ1      LYS  27  -0.699 -11.459  -3.710
  210   3HZ   LYS  27           HZ3      LYS  27  -0.279 -11.146  -2.096
  211    H    VAL  28           HN       VAL  28  -3.812  -6.050  -3.291
  212    HA   VAL  28           HA       VAL  28  -3.974  -8.062  -1.362
  213    HB   VAL  28           HB       VAL  28  -3.725  -5.736  -0.783
  214   1HG1  VAL  28          HG12      VAL  28  -5.466  -5.202  -2.779
  215   2HG1  VAL  28          HG11      VAL  28  -6.538  -5.017  -1.394
  216   3HG1  VAL  28          HG13      VAL  28  -5.075  -4.041  -1.511
  217   1HG2  VAL  28          HG22      VAL  28  -5.709  -7.430   0.382
  218   2HG2  VAL  28          HG21      VAL  28  -4.751  -6.177   1.170
  219   3HG2  VAL  28          HG23      VAL  28  -6.307  -5.771   0.445
  220    H    GLU  29           HN       GLU  29  -6.845  -6.455  -2.880
  221    HA   GLU  29           HA       GLU  29  -8.296  -8.874  -3.260
  222   1HB   GLU  29           HB2      GLU  29  -8.160  -7.814  -0.537
  223   2HB   GLU  29           HB1      GLU  29  -9.820  -8.037  -1.092
  224   1HG   GLU  29           HG2      GLU  29  -8.361 -10.305  -1.968
  225   2HG   GLU  29           HG1      GLU  29  -7.915 -10.038  -0.283
  226    H    GLY  30           HN       GLY  30  -9.399  -5.835  -1.691
  227   1HA   GLY  30           HA2      GLY  30 -11.307  -5.510  -3.945
  228   2HA   GLY  30           HA1      GLY  30 -11.427  -4.704  -2.384
  229    H    VAL  31           HN       VAL  31  -8.293  -4.297  -2.980
  230    HA   VAL  31           HA       VAL  31  -8.238  -1.568  -3.458
  231    HB   VAL  31           HB       VAL  31  -6.284  -3.029  -3.008
  232   1HG1  VAL  31          HG12      VAL  31  -7.237  -4.630  -4.938
  233   2HG1  VAL  31          HG11      VAL  31  -6.100  -3.698  -5.911
  234   3HG1  VAL  31          HG13      VAL  31  -5.527  -4.607  -4.515
  235   1HG2  VAL  31          HG21      VAL  31  -6.043  -0.725  -4.021
  236   2HG2  VAL  31          HG23      VAL  31  -4.711  -1.814  -4.409
  237   3HG2  VAL  31          HG22      VAL  31  -5.963  -1.493  -5.607
  238    H    SER  32           HN       SER  32  -8.357  -0.232  -5.154
  239    HA   SER  32           HA       SER  32  -9.199  -1.383  -7.789
  240   1HB   SER  32           HB2      SER  32 -10.182   0.799  -6.044
  241   2HB   SER  32           HB1      SER  32 -10.121   1.190  -7.761
  242    HG   SER  32           HG       SER  32 -11.292  -0.795  -8.105
  243    H    LYS  33           HN       LYS  33  -6.940   0.514  -6.071
  244    HA   LYS  33           HA       LYS  33  -5.368   0.998  -8.508
  245   1HB   LYS  33           HB2      LYS  33  -6.625   2.902  -8.851
  246   2HB   LYS  33           HB1      LYS  33  -7.075   3.036  -7.160
  247   1HG   LYS  33           HG2      LYS  33  -5.650   4.832  -7.265
  248   2HG   LYS  33           HG1      LYS  33  -4.434   3.605  -6.946
  249   1HD   LYS  33           HD2      LYS  33  -3.461   4.059  -8.922
  250   2HD   LYS  33           HD1      LYS  33  -4.951   3.614  -9.754
  251   1HE   LYS  33           HE2      LYS  33  -5.822   5.936  -9.323
  252   2HE   LYS  33           HE1      LYS  33  -4.225   6.360  -8.678
  253   1HZ   LYS  33           HZ1      LYS  33  -4.689   5.161 -11.355
  254   2HZ   LYS  33           HZ3      LYS  33  -4.442   6.817 -11.084
  255   3HZ   LYS  33           HZ2      LYS  33  -3.206   5.707 -10.730
  256    H    VAL  34           HN       VAL  34  -3.200   1.907  -7.902
  257    HA   VAL  34           HA       VAL  34  -2.553   2.051  -5.026
  258    HB   VAL  34           HB       VAL  34  -1.763  -0.208  -6.869
  259   1HG1  VAL  34          HG11      VAL  34  -0.465   0.583  -4.243
  260   2HG1  VAL  34          HG13      VAL  34  -0.130  -0.894  -5.144
  261   3HG1  VAL  34          HG12      VAL  34   0.295   0.673  -5.832
  262   1HG2  VAL  34          HG22      VAL  34  -3.298   0.147  -4.345
  263   2HG2  VAL  34          HG21      VAL  34  -3.559  -0.990  -5.666
  264   3HG2  VAL  34          HG23      VAL  34  -2.307  -1.305  -4.465
  265    H    ASP  35           HN       ASP  35  -0.248   2.696  -4.704
  266    HA   ASP  35           HA       ASP  35   1.357   3.398  -7.057
  267   1HB   ASP  35           HB2      ASP  35  -0.526   5.259  -5.772
  268   2HB   ASP  35           HB1      ASP  35   1.109   5.904  -5.924
  269    H    VAL  36           HN       VAL  36   3.406   4.546  -6.338
  270    HA   VAL  36           HA       VAL  36   4.002   4.188  -3.433
  271    HB   VAL  36           HB       VAL  36   6.151   3.063  -4.202
  272   1HG1  VAL  36          HG13      VAL  36   3.678   2.018  -3.657
  273   2HG1  VAL  36          HG12      VAL  36   4.011   1.317  -5.241
  274   3HG1  VAL  36          HG11      VAL  36   5.132   1.051  -3.907
  275   1HG2  VAL  36          HG22      VAL  36   4.601   2.988  -6.811
  276   2HG2  VAL  36          HG21      VAL  36   6.116   3.845  -6.528
  277   3HG2  VAL  36          HG23      VAL  36   6.080   2.082  -6.490
  278    H    GLY  37           HN       GLY  37   5.897   5.419  -2.750
  279   1HA   GLY  37           HA2      GLY  37   7.046   7.312  -4.712
  280   2HA   GLY  37           HA1      GLY  37   6.178   8.011  -3.344
  281    H    PHE  38           HN       PHE  38   9.164   6.715  -4.388
  282    HA   PHE  38           HA       PHE  38  10.269   5.797  -1.911
  283   1HB   PHE  38           HB2      PHE  38  11.041   6.272  -4.622
  284   2HB   PHE  38           HB1      PHE  38  12.245   7.033  -3.579
  285    HD1  PHE  38           HD2      PHE  38  12.049   5.245  -1.184
  286    HD2  PHE  38           HD1      PHE  38  12.182   4.323  -5.378
  287    HE1  PHE  38           HE2      PHE  38  13.006   3.018  -0.662
  288    HE2  PHE  38           HE1      PHE  38  13.139   2.095  -4.855
  289    HZ   PHE  38           HZ       PHE  38  13.560   1.445  -2.502
  290    H    GLU  39           HN       GLU  39   9.681   9.009  -3.165
  291    HA   GLU  39           HA       GLU  39  11.523  10.635  -1.854
  292   1HB   GLU  39           HB2      GLU  39   9.607  12.264  -1.761
  293   2HB   GLU  39           HB1      GLU  39   9.755  11.458  -3.324
  294   1HG   GLU  39           HG2      GLU  39   8.076   9.745  -2.449
  295   2HG   GLU  39           HG1      GLU  39   7.789  10.853  -1.106
  296    H    LYS  40           HN       LYS  40   8.689   9.000  -0.464
  297    HA   LYS  40           HA       LYS  40   9.764   9.618   2.256
  298   1HB   LYS  40           HB2      LYS  40   7.778  11.038   1.318
  299   2HB   LYS  40           HB1      LYS  40   6.823   9.587   1.626
  300   1HG   LYS  40           HG2      LYS  40   6.698  10.137   3.802
  301   2HG   LYS  40           HG1      LYS  40   8.455  10.046   3.919
  302   1HD   LYS  40           HD2      LYS  40   8.674  12.297   3.929
  303   2HD   LYS  40           HD1      LYS  40   7.537  12.491   2.594
  304   1HE   LYS  40           HE2      LYS  40   6.192  13.420   4.207
  305   2HE   LYS  40           HE1      LYS  40   5.853  11.729   4.630
  306   1HZ   LYS  40           HZ1      LYS  40   8.190  13.221   5.684
  307   2HZ   LYS  40           HZ3      LYS  40   6.707  13.143   6.505
  308   3HZ   LYS  40           HZ2      LYS  40   7.590  11.722   6.211
  309    H    ARG  41           HN       ARG  41   9.839   7.178   0.512
  310    HA   ARG  41           HA       ARG  41   9.271   4.866   0.622
  311   1HB   ARG  41           HB2      ARG  41   9.518   5.581   3.558
  312   2HB   ARG  41           HB1      ARG  41   9.865   4.018   2.818
  313   1HG   ARG  41           HG2      ARG  41  11.307   6.270   1.602
  314   2HG   ARG  41           HG1      ARG  41  11.730   5.963   3.287
  315   1HD   ARG  41           HD2      ARG  41  11.539   3.437   1.962
  316   2HD   ARG  41           HD1      ARG  41  12.569   4.493   0.978
  317    HE   ARG  41           HE       ARG  41  13.300   3.347   3.491
  318   1HH1  ARG  41          HH21      ARG  41  13.340   6.405   1.863
  319   2HH1  ARG  41          HH22      ARG  41  14.482   7.103   2.957
  320   1HH2  ARG  41          HH11      ARG  41  14.799   4.250   4.891
  321   2HH2  ARG  41          HH12      ARG  41  15.315   5.887   4.656
  322    H    GLU  42           HN       GLU  42   6.891   5.935   0.118
  323    HA   GLU  42           HA       GLU  42   5.107   4.593   2.092
  324   1HB   GLU  42           HB2      GLU  42   3.722   6.563   2.258
  325   2HB   GLU  42           HB1      GLU  42   5.386   7.079   2.533
  326   1HG   GLU  42           HG2      GLU  42   5.583   7.881   0.261
  327   2HG   GLU  42           HG1      GLU  42   4.016   7.193  -0.167
  328    H    ALA  43           HN       ALA  43   3.203   3.719   1.146
  329    HA   ALA  43           HA       ALA  43   3.073   3.974  -1.846
  330   1HB   ALA  43           HB1      ALA  43   3.085   1.733   0.033
  331   2HB   ALA  43           HB3      ALA  43   1.693   1.669  -1.048
  332   3HB   ALA  43           HB2      ALA  43   3.325   1.718  -1.714
  333    H    VAL  44           HN       VAL  44   1.179   4.862  -2.626
  334    HA   VAL  44           HA       VAL  44  -1.027   5.313  -0.654
  335    HB   VAL  44           HB       VAL  44   0.175   7.204  -1.872
  336   1HG1  VAL  44          HG11      VAL  44   0.121   5.707  -4.044
  337   2HG1  VAL  44          HG13      VAL  44  -1.464   6.447  -4.269
  338   3HG1  VAL  44          HG12      VAL  44  -0.023   7.459  -4.181
  339   1HG2  VAL  44          HG23      VAL  44  -2.568   6.814  -1.311
  340   2HG2  VAL  44          HG22      VAL  44  -1.730   8.354  -1.503
  341   3HG2  VAL  44          HG21      VAL  44  -2.503   7.593  -2.893
  342    H    VAL  45           HN       VAL  45  -2.857   4.123  -0.919
  343    HA   VAL  45           HA       VAL  45  -3.346   2.959  -3.640
  344    HB   VAL  45           HB       VAL  45  -3.355   1.713  -0.895
  345   1HG1  VAL  45          HG11      VAL  45  -4.947   1.013  -3.286
  346   2HG1  VAL  45          HG13      VAL  45  -4.028  -0.323  -2.594
  347   3HG1  VAL  45          HG12      VAL  45  -5.189   0.557  -1.600
  348   1HG2  VAL  45          HG21      VAL  45  -1.594   1.774  -3.180
  349   2HG2  VAL  45          HG23      VAL  45  -1.331   1.026  -1.605
  350   3HG2  VAL  45          HG22      VAL  45  -2.132   0.122  -2.888
  351    H    THR  46           HN       THR  46  -5.425   2.804  -4.301
  352    HA   THR  46           HA       THR  46  -7.559   4.051  -2.607
  353    HB   THR  46           HB       THR  46  -6.907   3.855  -5.543
  354    HG1  THR  46           HG1      THR  46  -6.593   5.885  -5.204
  355   1HG2  THR  46          HG21      THR  46  -9.635   4.076  -4.308
  356   2HG2  THR  46          HG23      THR  46  -9.289   4.910  -5.824
  357   3HG2  THR  46          HG22      THR  46  -9.126   3.156  -5.724
  358    H    PHE  47           HN       PHE  47  -9.676   2.871  -2.704
  359    HA   PHE  47           HA       PHE  47  -9.791   0.280  -4.010
  360   1HB   PHE  47           HB2      PHE  47  -9.655  -1.048  -1.923
  361   2HB   PHE  47           HB1      PHE  47  -8.156  -0.166  -2.221
  362    HD1  PHE  47           HD2      PHE  47 -11.294  -0.209  -0.192
  363    HD2  PHE  47           HD1      PHE  47  -7.452   1.631  -0.820
  364    HE1  PHE  47           HE2      PHE  47 -11.501   0.961   1.970
  365    HE2  PHE  47           HE1      PHE  47  -7.670   2.805   1.347
  366    HZ   PHE  47           HZ       PHE  47  -9.678   2.470   2.744
  367    H    ASP  48           HN       ASP  48 -11.537  -1.076  -2.698
  368    HA   ASP  48           HA       ASP  48 -13.841   0.781  -2.283
  369   1HB   ASP  48           HB2      ASP  48 -13.779  -2.194  -2.909
  370   2HB   ASP  48           HB1      ASP  48 -15.191  -1.138  -2.972
  371    H    ASP  49           HN       ASP  49 -14.607   0.870  -0.179
  372    HA   ASP  49           HA       ASP  49 -13.215  -0.702   1.847
  373   1HB   ASP  49           HB2      ASP  49 -13.796   1.633   2.185
  374   2HB   ASP  49           HB1      ASP  49 -15.504   1.276   1.936
  375    H    THR  50           HN       THR  50 -14.851  -2.310   0.022
  376    HA   THR  50           HA       THR  50 -16.894  -3.386   1.928
  377    HB   THR  50           HB       THR  50 -17.828  -4.300  -0.325
  378    HG1  THR  50           HG1      THR  50 -16.226  -3.895  -1.723
  379   1HG2  THR  50          HG22      THR  50 -17.833  -1.464   0.644
  380   2HG2  THR  50          HG21      THR  50 -18.659  -1.853  -0.865
  381   3HG2  THR  50          HG23      THR  50 -19.144  -2.643   0.635
  382    H    LYS  51           HN       LYS  51 -13.999  -3.974   0.147
  383    HA   LYS  51           HA       LYS  51 -14.065  -6.852   0.969
  384   1HB   LYS  51           HB2      LYS  51 -13.114  -5.610  -1.633
  385   2HB   LYS  51           HB1      LYS  51 -12.923  -7.311  -1.208
  386   1HG   LYS  51           HG2      LYS  51 -15.433  -7.427  -0.918
  387   2HG   LYS  51           HG1      LYS  51 -15.519  -5.805  -1.606
  388   1HD   LYS  51           HD2      LYS  51 -15.416  -6.675  -3.675
  389   2HD   LYS  51           HD1      LYS  51 -13.842  -7.375  -3.296
  390   1HE   LYS  51           HE2      LYS  51 -14.722  -9.462  -2.888
  391   2HE   LYS  51           HE1      LYS  51 -16.221  -8.804  -2.203
  392   1HZ   LYS  51           HZ1      LYS  51 -16.853  -8.064  -4.429
  393   2HZ   LYS  51           HZ3      LYS  51 -15.448  -8.763  -5.073
  394   3HZ   LYS  51           HZ2      LYS  51 -16.645  -9.750  -4.380
  395    H    ALA  52           HN       ALA  52 -12.570  -3.916   1.374
  396    HA   ALA  52           HA       ALA  52 -10.270  -4.992   2.711
  397   1HB   ALA  52           HB2      ALA  52 -10.011  -4.100  -0.166
  398   2HB   ALA  52           HB1      ALA  52  -8.625  -4.113   0.925
  399   3HB   ALA  52           HB3      ALA  52  -9.471  -5.616   0.556
  400    H    SER  53           HN       SER  53  -8.526  -3.061   2.866
  401    HA   SER  53           HA       SER  53  -9.276  -0.355   2.496
  402   1HB   SER  53           HB2      SER  53 -10.015   0.037   4.938
  403   2HB   SER  53           HB1      SER  53 -11.181  -0.742   3.873
  404    HG   SER  53           HG       SER  53 -11.103  -2.392   5.156
  405    H    VAL  54           HN       VAL  54  -8.126   1.014   4.465
  406    HA   VAL  54           HA       VAL  54  -5.402   0.819   4.312
  407    HB   VAL  54           HB       VAL  54  -6.412   2.595   5.549
  408   1HG1  VAL  54          HG13      VAL  54  -8.397   1.261   6.270
  409   2HG1  VAL  54          HG12      VAL  54  -7.393   0.484   7.493
  410   3HG1  VAL  54          HG11      VAL  54  -7.712   2.216   7.584
  411   1HG2  VAL  54          HG23      VAL  54  -4.208   1.349   6.461
  412   2HG2  VAL  54          HG22      VAL  54  -4.900   2.744   7.288
  413   3HG2  VAL  54          HG21      VAL  54  -5.246   1.117   7.866
  414    H    GLN  55           HN       GLN  55  -7.432  -1.113   6.526
  415    HA   GLN  55           HA       GLN  55  -5.372  -2.380   7.995
  416   1HB   GLN  55           HB2      GLN  55  -7.845  -2.469   8.392
  417   2HB   GLN  55           HB1      GLN  55  -7.993  -3.550   7.005
  418   1HG   GLN  55           HG2      GLN  55  -7.079  -5.328   8.121
  419   2HG   GLN  55           HG1      GLN  55  -5.970  -4.311   9.041
  420   1HE2  GLN  55          HE22      GLN  55  -9.832  -4.627  10.446
  421   2HE2  GLN  55          HE21      GLN  55  -9.560  -4.668   8.770
  422    H    LYS  56           HN       LYS  56  -6.962  -3.493   4.981
  423    HA   LYS  56           HA       LYS  56  -5.086  -5.703   4.656
  424   1HB   LYS  56           HB2      LYS  56  -7.199  -4.458   2.872
  425   2HB   LYS  56           HB1      LYS  56  -6.385  -5.988   2.539
  426   1HG   LYS  56           HG2      LYS  56  -7.899  -5.459   5.108
  427   2HG   LYS  56           HG1      LYS  56  -8.649  -6.190   3.689
  428   1HD   LYS  56           HD2      LYS  56  -6.480  -7.762   3.851
  429   2HD   LYS  56           HD1      LYS  56  -6.616  -7.319   5.553
  430   1HE   LYS  56           HE2      LYS  56  -8.745  -8.305   5.773
  431   2HE   LYS  56           HE1      LYS  56  -9.038  -8.277   4.022
  432   1HZ   LYS  56           HZ2      LYS  56  -6.804  -9.671   4.073
  433   2HZ   LYS  56           HZ1      LYS  56  -7.404 -10.112   5.600
  434   3HZ   LYS  56           HZ3      LYS  56  -8.326 -10.412   4.208
  435    H    LEU  57           HN       LEU  57  -4.964  -2.335   3.806
  436    HA   LEU  57           HA       LEU  57  -3.291  -2.701   1.428
  437   1HB   LEU  57           HB2      LEU  57  -3.766  -0.320   3.255
  438   2HB   LEU  57           HB1      LEU  57  -3.028  -0.251   1.657
  439    HG   LEU  57           HG       LEU  57  -5.846  -1.208   2.229
  440   1HD1  LEU  57          HD13      LEU  57  -4.641   1.422   1.445
  441   2HD1  LEU  57          HD12      LEU  57  -6.228   0.990   0.808
  442   3HD1  LEU  57          HD11      LEU  57  -5.975   1.091   2.550
  443   1HD2  LEU  57          HD22      LEU  57  -4.782  -2.245   0.226
  444   2HD2  LEU  57          HD21      LEU  57  -6.094  -1.156  -0.222
  445   3HD2  LEU  57          HD23      LEU  57  -4.418  -0.635  -0.394
  446    H    THR  58           HN       THR  58  -2.726  -1.436   4.728
  447    HA   THR  58           HA       THR  58   0.116  -1.412   4.627
  448    HB   THR  58           HB       THR  58  -1.698  -2.008   6.988
  449    HG1  THR  58           HG1      THR  58  -2.436  -0.076   6.739
  450   1HG2  THR  58          HG23      THR  58   1.106  -1.644   6.729
  451   2HG2  THR  58          HG22      THR  58   0.460  -0.198   7.503
  452   3HG2  THR  58          HG21      THR  58   0.166  -1.782   8.216
  453    H    LYS  59           HN       LYS  59  -2.208  -4.013   5.181
  454    HA   LYS  59           HA       LYS  59  -0.240  -5.913   6.121
  455   1HB   LYS  59           HB2      LYS  59  -2.943  -5.661   6.254
  456   2HB   LYS  59           HB1      LYS  59  -2.800  -6.823   4.936
  457   1HG   LYS  59           HG2      LYS  59  -0.967  -7.532   7.045
  458   2HG   LYS  59           HG1      LYS  59  -2.589  -7.339   7.712
  459   1HD   LYS  59           HD2      LYS  59  -3.112  -8.708   5.394
  460   2HD   LYS  59           HD1      LYS  59  -1.552  -9.387   5.864
  461   1HE   LYS  59           HE2      LYS  59  -3.149  -9.165   8.230
  462   2HE   LYS  59           HE1      LYS  59  -4.115  -9.981   6.983
  463   1HZ   LYS  59           HZ3      LYS  59  -1.275 -10.650   7.520
  464   2HZ   LYS  59           HZ2      LYS  59  -2.564 -11.460   8.275
  465   3HZ   LYS  59           HZ1      LYS  59  -2.390 -11.525   6.587
  466    H    ALA  60           HN       ALA  60  -1.512  -4.908   3.021
  467    HA   ALA  60           HA       ALA  60  -0.663  -7.218   1.533
  468   1HB   ALA  60           HB3      ALA  60  -2.170  -4.908   1.129
  469   2HB   ALA  60           HB2      ALA  60  -0.764  -4.675   0.091
  470   3HB   ALA  60           HB1      ALA  60  -1.779  -6.103  -0.107
  471    H    THR  61           HN       THR  61   0.733  -3.976   2.085
  472    HA   THR  61           HA       THR  61   3.179  -4.543   0.627
  473    HB   THR  61           HB       THR  61   2.210  -2.269   1.089
  474    HG1  THR  61           HG1      THR  61   4.796  -3.002   1.862
  475   1HG2  THR  61          HG21      THR  61   1.445  -2.824   3.399
  476   2HG2  THR  61          HG23      THR  61   3.128  -2.818   3.923
  477   3HG2  THR  61          HG22      THR  61   2.386  -1.333   3.329
  478    H    ALA  62           HN       ALA  62   2.005  -4.792   3.876
  479    HA   ALA  62           HA       ALA  62   4.446  -5.366   5.250
  480   1HB   ALA  62           HB2      ALA  62   1.561  -6.197   5.703
  481   2HB   ALA  62           HB1      ALA  62   2.841  -6.409   6.898
  482   3HB   ALA  62           HB3      ALA  62   2.369  -4.788   6.389
  483    H    ASP  63           HN       ASP  63   2.183  -7.352   3.392
  484    HA   ASP  63           HA       ASP  63   3.705  -9.822   3.992
  485   1HB   ASP  63           HB2      ASP  63   1.161  -9.608   3.867
  486   2HB   ASP  63           HB1      ASP  63   1.352  -9.393   2.127
  487    H    ALA  64           HN       ALA  64   3.830  -7.243   1.802
  488    HA   ALA  64           HA       ALA  64   4.696  -8.745  -0.556
  489   1HB   ALA  64           HB2      ALA  64   3.659  -6.264  -0.055
  490   2HB   ALA  64           HB1      ALA  64   5.371  -5.877  -0.212
  491   3HB   ALA  64           HB3      ALA  64   4.522  -6.674  -1.537
  492    H    GLY  65           HN       GLY  65   6.095  -7.341   2.305
  493   1HA   GLY  65           HA2      GLY  65   8.359  -8.578   2.724
  494   2HA   GLY  65           HA1      GLY  65   8.829  -7.797   1.220
  495    H    TYR  66           HN       TYR  66   6.745  -5.894   3.254
  496    HA   TYR  66           HA       TYR  66   9.109  -4.530   4.460
  497   1HB   TYR  66           HB2      TYR  66   6.914  -3.145   2.910
  498   2HB   TYR  66           HB1      TYR  66   8.402  -2.427   3.520
  499    HD1  TYR  66           HD1      TYR  66  10.594  -3.793   2.738
  500    HD2  TYR  66           HD2      TYR  66   6.825  -3.633   0.720
  501    HE1  TYR  66           HE1      TYR  66  11.719  -4.341   0.612
  502    HE2  TYR  66           HE2      TYR  66   7.930  -4.168  -1.412
  503    HH   TYR  66           HH       TYR  66  10.772  -5.533  -1.720
  504    HA   PRO  67           HA       PRO  67   5.992  -4.636   7.772
  505   1HB   PRO  67           HB2      PRO  67   7.923  -3.278   9.421
  506   2HB   PRO  67           HB1      PRO  67   7.449  -4.977   9.498
  507   1HG   PRO  67           HG2      PRO  67   9.933  -3.881   8.554
  508   2HG   PRO  67           HG1      PRO  67   9.459  -5.580   8.648
  509   1HD   PRO  67           HD2      PRO  67   9.750  -3.958   6.283
  510   2HD   PRO  67           HD1      PRO  67   9.246  -5.663   6.379
  511    H    SER  68           HN       SER  68   4.662  -2.996   6.768
  512    HA   SER  68           HA       SER  68   5.629  -0.182   7.012
  513   1HB   SER  68           HB2      SER  68   4.972  -0.225   4.854
  514   2HB   SER  68           HB1      SER  68   4.224  -1.803   5.065
  515    HG   SER  68           HG       SER  68   2.895   0.213   4.544
  516    H    SER  69           HN       SER  69   3.395   1.243   6.904
  517    HA   SER  69           HA       SER  69   1.445   0.399   8.964
  518   1HB   SER  69           HB2      SER  69   3.052   2.965   9.140
  519   2HB   SER  69           HB1      SER  69   1.961   2.305  10.354
  520    HG   SER  69           HG       SER  69   3.467   0.945  10.972
  521    H    VAL  70           HN       VAL  70   0.244   2.953   9.174
  522    HA   VAL  70           HA       VAL  70  -0.234   3.719   6.345
  523    HB   VAL  70           HB       VAL  70  -1.727   1.923   7.315
  524   1HG1  VAL  70          HG13      VAL  70  -1.859   3.411   9.515
  525   2HG1  VAL  70          HG12      VAL  70  -3.231   4.128   8.671
  526   3HG1  VAL  70          HG11      VAL  70  -3.219   2.401   9.025
  527   1HG2  VAL  70          HG21      VAL  70  -2.273   4.154   5.649
  528   2HG2  VAL  70          HG23      VAL  70  -3.128   2.614   5.670
  529   3HG2  VAL  70          HG22      VAL  70  -3.690   3.951   6.672
  530    H    LYS  71           HN       LYS  71  -1.444   5.753   6.123
  531    HA   LYS  71           HA       LYS  71  -1.103   7.533   8.522
  532   1HB   LYS  71           HB2      LYS  71  -0.851   8.612   5.747
  533   2HB   LYS  71           HB1      LYS  71   0.003   9.098   7.210
  534   1HG   LYS  71           HG2      LYS  71   1.369   7.078   7.131
  535   2HG   LYS  71           HG1      LYS  71   0.471   6.498   5.728
  536   1HD   LYS  71           HD2      LYS  71   2.143   7.496   4.555
  537   2HD   LYS  71           HD1      LYS  71   1.203   8.959   4.851
  538   1HE   LYS  71           HE2      LYS  71   3.554   9.341   5.489
  539   2HE   LYS  71           HE1      LYS  71   2.541   9.335   6.947
  540   1HZ   LYS  71           HZ3      LYS  71   3.646   6.804   5.935
  541   2HZ   LYS  71           HZ2      LYS  71   4.642   7.833   6.850
  542   3HZ   LYS  71           HZ1      LYS  71   3.204   7.224   7.518
  543    H    GLN  72           HN       GLN  72  -3.354   6.050   7.383
  544    HA   GLN  72           HA       GLN  72  -5.642   6.388   6.793
  545   1HB   GLN  72           HB2      GLN  72  -4.730   8.229   8.905
  546   2HB   GLN  72           HB1      GLN  72  -6.224   8.736   8.114
  547   1HG   GLN  72           HG2      GLN  72  -6.899   6.208   8.424
  548   2HG   GLN  72           HG1      GLN  72  -5.670   6.241   9.687
  549   1HE2  GLN  72          HE22      GLN  72  -7.737   9.198  11.058
  550   2HE2  GLN  72          HE21      GLN  72  -6.308   9.220  10.143
   
  No H/Q in entry =         550
  Start of MODEL   11
    1   1H    ALA   1           HT1      ALA   1  17.081   4.990  -0.349
    2   2H    ALA   1           HT3      ALA   1  18.259   4.186   0.570
    3   3H    ALA   1           HT2      ALA   1  18.293   4.088  -1.126
    4    HA   ALA   1           HA       ALA   1  16.397   2.721  -1.213
    5   1HB   ALA   1           HB3      ALA   1  18.760   2.135   0.159
    6   2HB   ALA   1           HB2      ALA   1  17.488   1.487   1.196
    7   3HB   ALA   1           HB1      ALA   1  17.614   0.956  -0.481
    8    H    THR   2           HN       THR   2  15.157   4.838  -0.028
    9    HA   THR   2           HA       THR   2  13.405   3.591   1.956
   10    HB   THR   2           HB       THR   2  13.836   6.100   2.985
   11    HG1  THR   2           HG1      THR   2  16.117   6.269   3.087
   12   1HG2  THR   2          HG22      THR   2  14.122   3.437   3.784
   13   2HG2  THR   2          HG21      THR   2  15.676   4.186   4.148
   14   3HG2  THR   2          HG23      THR   2  14.194   4.857   4.828
   15    H    GLN   3           HN       GLN   3  11.886   3.785   0.192
   16    HA   GLN   3           HA       GLN   3  11.302   6.591  -0.685
   17   1HB   GLN   3           HB2      GLN   3  11.834   4.252  -2.070
   18   2HB   GLN   3           HB1      GLN   3  10.079   4.395  -2.180
   19   1HG   GLN   3           HG2      GLN   3  10.838   6.976  -2.651
   20   2HG   GLN   3           HG1      GLN   3  12.185   6.094  -3.371
   21   1HE2  GLN   3          HE22      GLN   3   9.992   6.047  -6.210
   22   2HE2  GLN   3          HE21      GLN   3  11.285   6.889  -5.504
   23    H    THR   4           HN       THR   4   9.046   7.128  -1.095
   24    HA   THR   4           HA       THR   4   7.055   5.580   0.517
   25    HB   THR   4           HB       THR   4   7.414   8.596   0.474
   26    HG1  THR   4           HG1      THR   4   8.362   6.583   2.199
   27   1HG2  THR   4          HG23      THR   4   5.150   7.372   1.024
   28   2HG2  THR   4          HG22      THR   4   5.943   7.028   2.562
   29   3HG2  THR   4          HG21      THR   4   5.705   8.698   2.047
   30    H    VAL   5           HN       VAL   5   5.149   5.308  -0.633
   31    HA   VAL   5           HA       VAL   5   4.572   7.172  -2.926
   32    HB   VAL   5           HB       VAL   5   4.304   4.171  -3.059
   33   1HG1  VAL   5          HG11      VAL   5   4.394   6.438  -5.054
   34   2HG1  VAL   5          HG13      VAL   5   4.540   4.748  -5.532
   35   3HG1  VAL   5          HG12      VAL   5   3.065   5.321  -4.752
   36   1HG2  VAL   5          HG22      VAL   5   6.727   5.886  -3.324
   37   2HG2  VAL   5          HG21      VAL   5   6.600   4.190  -2.856
   38   3HG2  VAL   5          HG23      VAL   5   6.502   4.646  -4.557
   39    H    THR   6           HN       THR   6   2.310   6.796  -3.695
   40    HA   THR   6           HA       THR   6   0.525   6.174  -1.392
   41    HB   THR   6           HB       THR   6  -1.027   7.477  -3.135
   42    HG1  THR   6           HG1      THR   6   0.835   7.398  -4.632
   43   1HG2  THR   6          HG21      THR   6   0.974   8.466  -1.173
   44   2HG2  THR   6          HG23      THR   6   0.178   9.664  -2.192
   45   3HG2  THR   6          HG22      THR   6  -0.784   8.612  -1.154
   46    H    LEU   7           HN       LEU   7  -1.403   4.841  -2.015
   47    HA   LEU   7           HA       LEU   7  -0.918   3.374  -4.582
   48   1HB   LEU   7           HB2      LEU   7  -0.858   2.490  -1.806
   49   2HB   LEU   7           HB1      LEU   7  -1.995   1.545  -2.764
   50    HG   LEU   7           HG       LEU   7  -0.318   0.897  -4.306
   51   1HD1  LEU   7          HD11      LEU   7   1.234   3.168  -3.124
   52   2HD1  LEU   7          HD13      LEU   7   2.064   1.856  -3.957
   53   3HD1  LEU   7          HD12      LEU   7   0.875   2.830  -4.812
   54   1HD2  LEU   7          HD23      LEU   7   0.877   0.970  -1.521
   55   2HD2  LEU   7          HD22      LEU   7  -0.064  -0.344  -2.227
   56   3HD2  LEU   7          HD21      LEU   7   1.547   0.021  -2.846
   57    H    ALA   8           HN       ALA   8  -2.804   2.373  -5.481
   58    HA   ALA   8           HA       ALA   8  -5.344   3.766  -4.685
   59   1HB   ALA   8           HB1      ALA   8  -4.119   2.788  -7.251
   60   2HB   ALA   8           HB3      ALA   8  -5.870   2.957  -7.145
   61   3HB   ALA   8           HB2      ALA   8  -4.832   4.360  -6.891
   62    H    VAL   9           HN       VAL   9  -6.563   2.373  -3.435
   63    HA   VAL   9           HA       VAL   9  -6.659  -0.510  -4.261
   64    HB   VAL   9           HB       VAL   9  -5.686  -0.415  -2.115
   65   1HG1  VAL   9          HG12      VAL   9  -7.653   1.818  -1.532
   66   2HG1  VAL   9          HG11      VAL   9  -6.607   1.096  -0.310
   67   3HG1  VAL   9          HG13      VAL   9  -5.901   1.953  -1.679
   68   1HG2  VAL   9          HG23      VAL   9  -8.313  -1.377  -2.331
   69   2HG2  VAL   9          HG22      VAL   9  -7.146  -1.784  -1.076
   70   3HG2  VAL   9          HG21      VAL   9  -8.289  -0.466  -0.822
   71    HA   PRO  10           HA       PRO  10 -10.927   0.989  -4.945
   72   1HB   PRO  10           HB2      PRO  10 -11.299  -0.872  -7.003
   73   2HB   PRO  10           HB1      PRO  10 -10.758   0.797  -7.213
   74   1HG   PRO  10           HG2      PRO  10  -9.239  -1.663  -7.552
   75   2HG   PRO  10           HG1      PRO  10  -8.780  -0.012  -7.979
   76   1HD   PRO  10           HD2      PRO  10  -7.864  -1.592  -5.730
   77   2HD   PRO  10           HD1      PRO  10  -7.366   0.055  -6.190
   78    H    GLY  11           HN       GLY  11 -10.414  -0.761  -2.765
   79   1HA   GLY  11           HA2      GLY  11 -11.944  -3.238  -3.254
   80   2HA   GLY  11           HA1      GLY  11 -11.111  -2.809  -1.761
   81    H    MET  12           HN       MET  12 -12.215  -0.222  -1.411
   82    HA   MET  12           HA       MET  12 -14.029   0.617  -0.120
   83   1HB   MET  12           HB2      MET  12 -15.938   0.937  -1.593
   84   2HB   MET  12           HB1      MET  12 -14.472   1.028  -2.570
   85   1HG   MET  12           HG2      MET  12 -14.773  -1.222  -3.369
   86   2HG   MET  12           HG1      MET  12 -16.080  -1.514  -2.222
   87   1HE   MET  12           HE2      MET  12 -18.311  -0.442  -2.216
   88   2HE   MET  12           HE1      MET  12 -19.162  -0.403  -3.757
   89   3HE   MET  12           HE3      MET  12 -18.278  -1.855  -3.268
   90    H    THR  13           HN       THR  13 -13.400  -1.995   0.700
   91    HA   THR  13           HA       THR  13 -15.722  -3.722   0.804
   92    HB   THR  13           HB       THR  13 -14.137  -4.414   2.929
   93    HG1  THR  13           HG1      THR  13 -12.081  -3.837   2.521
   94   1HG2  THR  13          HG22      THR  13 -14.048  -5.011  -0.003
   95   2HG2  THR  13          HG21      THR  13 -12.809  -5.696   1.049
   96   3HG2  THR  13          HG23      THR  13 -14.510  -6.060   1.337
   97    H    CYS  14           HN       CYS  14 -15.310  -0.713   2.088
   98    HA   CYS  14           HA       CYS  14 -16.674   0.470   3.609
   99   1HB   CYS  14           HB2      CYS  14 -18.198  -1.618   3.093
  100   2HB   CYS  14           HB1      CYS  14 -17.684  -2.151   4.694
  101    HG   CYS  14           HG       CYS  14 -18.563   0.624   5.084
  102    H    ALA  15           HN       ALA  15 -14.873   1.153   4.806
  103    HA   ALA  15           HA       ALA  15 -13.430   1.261   6.674
  104   1HB   ALA  15           HB1      ALA  15 -15.752   1.137   7.670
  105   2HB   ALA  15           HB3      ALA  15 -15.524  -0.604   7.834
  106   3HB   ALA  15           HB2      ALA  15 -14.486   0.508   8.725
  107    H    ALA  16           HN       ALA  16 -13.271  -1.078   4.667
  108    HA   ALA  16           HA       ALA  16 -11.707  -2.931   6.449
  109   1HB   ALA  16           HB1      ALA  16 -13.764  -3.321   4.355
  110   2HB   ALA  16           HB3      ALA  16 -12.390  -4.423   4.266
  111   3HB   ALA  16           HB2      ALA  16 -13.363  -4.343   5.735
  112    H    CYS  17           HN       CYS  17 -12.044  -1.759   3.108
  113    HA   CYS  17           HA       CYS  17  -9.742  -2.622   1.888
  114   1HB   CYS  17           HB2      CYS  17  -9.800   0.161   1.288
  115   2HB   CYS  17           HB1      CYS  17 -10.439  -1.162   0.330
  116    HG   CYS  17           HG       CYS  17 -12.234   0.194   2.506
  117    HA   PRO  18           HA       PRO  18  -6.969   0.974   3.673
  118   1HB   PRO  18           HB2      PRO  18  -8.167   2.048   5.999
  119   2HB   PRO  18           HB1      PRO  18  -7.996   2.833   4.424
  120   1HG   PRO  18           HG2      PRO  18 -10.382   1.658   5.673
  121   2HG   PRO  18           HG1      PRO  18 -10.266   2.799   4.332
  122   1HD   PRO  18           HD2      PRO  18 -10.966   0.098   4.097
  123   2HD   PRO  18           HD1      PRO  18 -10.402   1.142   2.768
  124    H    ILE  19           HN       ILE  19  -8.716  -1.243   5.799
  125    HA   ILE  19           HA       ILE  19  -6.574  -1.165   7.830
  126    HB   ILE  19           HB       ILE  19  -9.157  -2.718   7.494
  127   1HG1  ILE  19          HG12      ILE  19  -8.332  -0.368   9.229
  128   2HG1  ILE  19          HG11      ILE  19  -9.478  -0.331   7.890
  129   1HG2  ILE  19          HG21      ILE  19  -6.926  -3.311   9.143
  130   2HG2  ILE  19          HG23      ILE  19  -8.165  -2.620  10.192
  131   3HG2  ILE  19          HG22      ILE  19  -8.533  -4.036   9.206
  132   1HD1  ILE  19          HD13      ILE  19 -10.838  -2.064   9.177
  133   2HD1  ILE  19          HD12      ILE  19  -9.789  -1.727  10.554
  134   3HD1  ILE  19          HD11      ILE  19 -10.797  -0.447   9.880
  135    H    THR  20           HN       THR  20  -7.802  -3.330   5.335
  136    HA   THR  20           HA       THR  20  -6.016  -5.532   5.995
  137    HB   THR  20           HB       THR  20  -8.134  -4.758   4.084
  138    HG1  THR  20           HG1      THR  20  -8.980  -6.357   5.119
  139   1HG2  THR  20          HG22      THR  20  -6.278  -5.315   2.537
  140   2HG2  THR  20          HG21      THR  20  -6.132  -6.890   3.317
  141   3HG2  THR  20          HG23      THR  20  -7.606  -6.473   2.443
  142    H    VAL  21           HN       VAL  21  -6.150  -2.914   3.612
  143    HA   VAL  21           HA       VAL  21  -3.811  -3.636   2.143
  144    HB   VAL  21           HB       VAL  21  -5.363  -1.086   2.639
  145   1HG1  VAL  21          HG13      VAL  21  -2.949  -1.578   0.896
  146   2HG1  VAL  21          HG12      VAL  21  -4.093  -0.283   0.554
  147   3HG1  VAL  21          HG11      VAL  21  -3.195  -0.289   2.072
  148   1HG2  VAL  21          HG21      VAL  21  -5.354  -3.285   0.627
  149   2HG2  VAL  21          HG23      VAL  21  -6.710  -2.367   1.281
  150   3HG2  VAL  21          HG22      VAL  21  -5.681  -1.656   0.037
  151    H    LYS  22           HN       LYS  22  -4.396  -1.325   4.789
  152    HA   LYS  22           HA       LYS  22  -1.786  -0.310   5.103
  153   1HB   LYS  22           HB2      LYS  22  -3.742   0.523   6.300
  154   2HB   LYS  22           HB1      LYS  22  -3.915  -1.014   7.149
  155   1HG   LYS  22           HG2      LYS  22  -1.634  -0.661   8.134
  156   2HG   LYS  22           HG1      LYS  22  -1.611   0.940   7.395
  157   1HD   LYS  22           HD2      LYS  22  -3.456   1.685   8.708
  158   2HD   LYS  22           HD1      LYS  22  -3.843   0.044   9.225
  159   1HE   LYS  22           HE2      LYS  22  -1.085   0.896   9.870
  160   2HE   LYS  22           HE1      LYS  22  -2.360   1.786  10.727
  161   1HZ   LYS  22           HZ1      LYS  22  -2.546  -1.139  10.432
  162   2HZ   LYS  22           HZ3      LYS  22  -1.579  -0.483  11.660
  163   3HZ   LYS  22           HZ2      LYS  22  -3.240  -0.135  11.614
  164    H    LYS  23           HN       LYS  23  -3.210  -3.283   6.495
  165    HA   LYS  23           HA       LYS  23  -0.794  -4.032   7.898
  166   1HB   LYS  23           HB2      LYS  23  -3.187  -5.660   7.004
  167   2HB   LYS  23           HB1      LYS  23  -2.044  -6.116   8.268
  168   1HG   LYS  23           HG2      LYS  23  -3.447  -3.470   8.454
  169   2HG   LYS  23           HG1      LYS  23  -4.310  -4.936   8.920
  170   1HD   LYS  23           HD2      LYS  23  -1.963  -5.360  10.203
  171   2HD   LYS  23           HD1      LYS  23  -2.009  -3.597  10.234
  172   1HE   LYS  23           HE2      LYS  23  -4.565  -4.106  10.963
  173   2HE   LYS  23           HE1      LYS  23  -3.775  -5.553  11.618
  174   1HZ   LYS  23           HZ2      LYS  23  -2.364  -3.031  11.971
  175   2HZ   LYS  23           HZ1      LYS  23  -3.778  -3.225  12.893
  176   3HZ   LYS  23           HZ3      LYS  23  -2.515  -4.348  13.034
  177    H    ALA  24           HN       ALA  24  -1.839  -4.431   4.618
  178    HA   ALA  24           HA       ALA  24  -0.209  -6.726   3.998
  179   1HB   ALA  24           HB1      ALA  24  -2.247  -5.172   2.830
  180   2HB   ALA  24           HB3      ALA  24  -0.859  -5.018   1.753
  181   3HB   ALA  24           HB2      ALA  24  -1.498  -6.615   2.145
  182    H    LEU  25           HN       LEU  25   0.034  -3.320   2.929
  183    HA   LEU  25           HA       LEU  25   2.646  -3.449   1.854
  184   1HB   LEU  25           HB2      LEU  25   1.163  -1.207   3.264
  185   2HB   LEU  25           HB1      LEU  25   2.538  -0.988   2.181
  186    HG   LEU  25           HG       LEU  25   0.891  -2.556   0.661
  187   1HD1  LEU  25          HD12      LEU  25  -0.729  -1.190   2.683
  188   2HD1  LEU  25          HD11      LEU  25  -1.242  -0.877   1.026
  189   3HD1  LEU  25          HD13      LEU  25  -1.148  -2.535   1.620
  190   1HD2  LEU  25          HD21      LEU  25   1.746   0.210   0.809
  191   2HD2  LEU  25          HD23      LEU  25   1.486  -0.796  -0.615
  192   3HD2  LEU  25          HD22      LEU  25   0.137   0.087   0.098
  193    H    SER  26           HN       SER  26   1.529  -2.889   5.161
  194    HA   SER  26           HA       SER  26   4.132  -2.207   6.258
  195   1HB   SER  26           HB2      SER  26   1.553  -2.021   7.069
  196   2HB   SER  26           HB1      SER  26   2.010  -3.493   7.918
  197    HG   SER  26           HG       SER  26   4.004  -1.839   8.247
  198    H    LYS  27           HN       LYS  27   2.409  -5.212   5.577
  199    HA   LYS  27           HA       LYS  27   4.364  -6.770   7.127
  200   1HB   LYS  27           HB2      LYS  27   2.286  -7.727   7.402
  201   2HB   LYS  27           HB1      LYS  27   1.714  -7.135   5.849
  202   1HG   LYS  27           HG2      LYS  27   3.795  -9.289   5.933
  203   2HG   LYS  27           HG1      LYS  27   2.093  -9.697   6.158
  204   1HD   LYS  27           HD2      LYS  27   2.408  -7.842   3.958
  205   2HD   LYS  27           HD1      LYS  27   3.406  -9.275   3.707
  206   1HE   LYS  27           HE2      LYS  27   1.230 -10.574   4.457
  207   2HE   LYS  27           HE1      LYS  27   0.416  -9.076   3.963
  208   1HZ   LYS  27           HZ3      LYS  27   1.652  -9.176   1.861
  209   2HZ   LYS  27           HZ2      LYS  27   2.314 -10.671   2.322
  210   3HZ   LYS  27           HZ1      LYS  27   0.641 -10.523   2.063
  211    H    VAL  28           HN       VAL  28   4.199  -5.412   4.072
  212    HA   VAL  28           HA       VAL  28   4.993  -7.274   2.183
  213    HB   VAL  28           HB       VAL  28   5.731  -4.438   2.839
  214   1HG1  VAL  28          HG12      VAL  28   7.301  -6.247   1.130
  215   2HG1  VAL  28          HG11      VAL  28   6.757  -4.790   0.298
  216   3HG1  VAL  28          HG13      VAL  28   7.722  -4.658   1.767
  217   1HG2  VAL  28          HG22      VAL  28   3.596  -5.434   1.629
  218   2HG2  VAL  28          HG21      VAL  28   4.324  -3.930   1.066
  219   3HG2  VAL  28          HG23      VAL  28   4.663  -5.442   0.225
  220    H    GLU  29           HN       GLU  29   7.573  -5.329   3.593
  221    HA   GLU  29           HA       GLU  29   9.049  -7.330   4.954
  222   1HB   GLU  29           HB2      GLU  29   9.060  -7.422   2.015
  223   2HB   GLU  29           HB1      GLU  29  10.681  -7.362   2.712
  224   1HG   GLU  29           HG2      GLU  29   8.974  -9.171   4.207
  225   2HG   GLU  29           HG1      GLU  29   9.038  -9.624   2.503
  226    H    GLY  30           HN       GLY  30  10.204  -5.232   2.311
  227   1HA   GLY  30           HA2      GLY  30  12.119  -3.917   4.033
  228   2HA   GLY  30           HA1      GLY  30  11.704  -3.418   2.391
  229    H    VAL  31           HN       VAL  31   8.774  -3.493   3.347
  230    HA   VAL  31           HA       VAL  31   8.293  -0.750   3.703
  231    HB   VAL  31           HB       VAL  31   6.728  -2.755   3.273
  232   1HG1  VAL  31          HG12      VAL  31   7.465  -3.866   5.458
  233   2HG1  VAL  31          HG11      VAL  31   6.472  -2.666   6.285
  234   3HG1  VAL  31          HG13      VAL  31   5.728  -3.808   5.165
  235   1HG2  VAL  31          HG22      VAL  31   6.252  -0.248   4.778
  236   2HG2  VAL  31          HG21      VAL  31   5.510  -0.822   3.285
  237   3HG2  VAL  31          HG23      VAL  31   4.947  -1.427   4.841
  238    H    SER  32           HN       SER  32   8.354   0.617   5.340
  239    HA   SER  32           HA       SER  32   9.137  -0.438   8.034
  240   1HB   SER  32           HB2      SER  32  10.744   0.955   6.437
  241   2HB   SER  32           HB1      SER  32   9.836   2.317   7.087
  242    HG   SER  32           HG       SER  32  10.318   1.079   9.192
  243    H    LYS  33           HN       LYS  33   6.889   1.351   6.195
  244    HA   LYS  33           HA       LYS  33   5.327   1.951   8.620
  245   1HB   LYS  33           HB2      LYS  33   6.671   3.851   8.811
  246   2HB   LYS  33           HB1      LYS  33   6.901   3.987   7.072
  247   1HG   LYS  33           HG2      LYS  33   4.923   5.130   6.760
  248   2HG   LYS  33           HG1      LYS  33   4.127   4.330   8.113
  249   1HD   LYS  33           HD2      LYS  33   4.649   6.777   8.496
  250   2HD   LYS  33           HD1      LYS  33   5.302   5.682   9.715
  251   1HE   LYS  33           HE2      LYS  33   7.255   5.854   7.653
  252   2HE   LYS  33           HE1      LYS  33   6.744   7.511   8.030
  253   1HZ   LYS  33           HZ3      LYS  33   6.812   6.579  10.461
  254   2HZ   LYS  33           HZ2      LYS  33   7.929   5.489   9.793
  255   3HZ   LYS  33           HZ1      LYS  33   8.222   7.161   9.720
  256    H    VAL  34           HN       VAL  34   3.161   2.795   8.036
  257    HA   VAL  34           HA       VAL  34   2.472   2.638   5.136
  258    HB   VAL  34           HB       VAL  34   2.219   0.408   6.306
  259   1HG1  VAL  34          HG11      VAL  34   1.571   1.404   8.511
  260   2HG1  VAL  34          HG13      VAL  34   0.024   1.870   7.805
  261   3HG1  VAL  34          HG12      VAL  34   0.444   0.164   7.958
  262   1HG2  VAL  34          HG21      VAL  34   0.733   1.377   4.370
  263   2HG2  VAL  34          HG23      VAL  34   0.211  -0.089   5.201
  264   3HG2  VAL  34          HG22      VAL  34  -0.514   1.464   5.615
  265    H    ASP  35           HN       ASP  35  -0.038   3.248   4.998
  266    HA   ASP  35           HA       ASP  35  -0.907   5.085   7.143
  267   1HB   ASP  35           HB2      ASP  35   0.797   6.251   5.641
  268   2HB   ASP  35           HB1      ASP  35  -0.393   6.122   4.348
  269    H    VAL  36           HN       VAL  36  -3.125   5.774   6.826
  270    HA   VAL  36           HA       VAL  36  -4.613   4.036   4.899
  271    HB   VAL  36           HB       VAL  36  -5.682   5.484   7.330
  272   1HG1  VAL  36          HG11      VAL  36  -6.948   4.061   5.375
  273   2HG1  VAL  36          HG13      VAL  36  -6.602   2.791   6.547
  274   3HG1  VAL  36          HG12      VAL  36  -7.542   4.203   7.030
  275   1HG2  VAL  36          HG22      VAL  36  -4.303   2.784   7.187
  276   2HG2  VAL  36          HG21      VAL  36  -3.772   4.188   8.112
  277   3HG2  VAL  36          HG23      VAL  36  -5.251   3.341   8.566
  278    H    GLY  37           HN       GLY  37  -5.113   5.203   3.083
  279   1HA   GLY  37           HA2      GLY  37  -6.073   8.013   3.457
  280   2HA   GLY  37           HA1      GLY  37  -5.211   7.471   2.016
  281    H    PHE  38           HN       PHE  38  -7.962   6.125   3.874
  282    HA   PHE  38           HA       PHE  38  -9.297   5.073   1.586
  283   1HB   PHE  38           HB2      PHE  38  -9.551   4.615   4.117
  284   2HB   PHE  38           HB1      PHE  38 -10.612   6.020   4.136
  285    HD1  PHE  38           HD2      PHE  38 -10.430   3.802   1.174
  286    HD2  PHE  38           HD1      PHE  38 -12.563   4.721   4.790
  287    HE1  PHE  38           HE2      PHE  38 -12.310   2.384   0.422
  288    HE2  PHE  38           HE1      PHE  38 -14.442   3.294   4.036
  289    HZ   PHE  38           HZ       PHE  38 -14.323   2.124   1.858
  290    H    GLU  39           HN       GLU  39  -9.099   8.304   2.831
  291    HA   GLU  39           HA       GLU  39 -11.501   9.511   2.061
  292   1HB   GLU  39           HB2      GLU  39  -9.366  10.482   3.120
  293   2HB   GLU  39           HB1      GLU  39  -8.750  10.639   1.474
  294   1HG   GLU  39           HG2      GLU  39 -11.208  11.759   1.176
  295   2HG   GLU  39           HG1      GLU  39 -10.867  12.189   2.853
  296    H    LYS  40           HN       LYS  40  -8.946   8.204   0.059
  297    HA   LYS  40           HA       LYS  40 -10.603   8.753  -2.358
  298   1HB   LYS  40           HB2      LYS  40  -7.929   9.757  -1.627
  299   2HB   LYS  40           HB1      LYS  40  -8.015   9.054  -3.243
  300   1HG   LYS  40           HG2      LYS  40 -10.338  10.707  -2.731
  301   2HG   LYS  40           HG1      LYS  40  -8.854  11.627  -2.480
  302   1HD   LYS  40           HD2      LYS  40  -8.220  11.474  -4.680
  303   2HD   LYS  40           HD1      LYS  40  -8.948   9.881  -4.888
  304   1HE   LYS  40           HE2      LYS  40 -10.422  11.212  -6.134
  305   2HE   LYS  40           HE1      LYS  40 -11.213  11.243  -4.545
  306   1HZ   LYS  40           HZ3      LYS  40  -9.087  13.179  -5.204
  307   2HZ   LYS  40           HZ2      LYS  40 -10.690  13.475  -5.684
  308   3HZ   LYS  40           HZ1      LYS  40 -10.312  13.300  -4.037
  309    H    ARG  41           HN       ARG  41 -10.413   6.306  -0.931
  310    HA   ARG  41           HA       ARG  41  -9.745   4.041  -1.169
  311   1HB   ARG  41           HB2      ARG  41 -10.152   5.143  -3.958
  312   2HB   ARG  41           HB1      ARG  41  -9.938   3.420  -3.642
  313   1HG   ARG  41           HG2      ARG  41 -11.854   4.377  -1.778
  314   2HG   ARG  41           HG1      ARG  41 -12.316   5.000  -3.362
  315   1HD   ARG  41           HD2      ARG  41 -11.515   2.306  -3.766
  316   2HD   ARG  41           HD1      ARG  41 -12.594   2.317  -2.359
  317    HE   ARG  41           HE       ARG  41 -13.799   4.040  -4.200
  318   1HH1  ARG  41          HH21      ARG  41 -12.721   0.759  -4.132
  319   2HH1  ARG  41          HH22      ARG  41 -13.916   0.208  -5.258
  320   1HH2  ARG  41          HH11      ARG  41 -15.358   3.333  -5.673
  321   2HH2  ARG  41          HH12      ARG  41 -15.409   1.662  -6.127
  322    H    GLU  42           HN       GLU  42  -7.475   5.213  -0.464
  323    HA   GLU  42           HA       GLU  42  -5.469   4.009  -2.291
  324   1HB   GLU  42           HB2      GLU  42  -5.353   6.142  -3.188
  325   2HB   GLU  42           HB1      GLU  42  -5.900   6.906  -1.698
  326   1HG   GLU  42           HG2      GLU  42  -3.242   5.546  -1.637
  327   2HG   GLU  42           HG1      GLU  42  -3.353   7.071  -2.516
  328    H    ALA  43           HN       ALA  43  -3.477   3.492  -1.224
  329    HA   ALA  43           HA       ALA  43  -3.495   3.877   1.762
  330   1HB   ALA  43           HB1      ALA  43  -2.616   1.526   0.039
  331   2HB   ALA  43           HB3      ALA  43  -2.326   1.630   1.776
  332   3HB   ALA  43           HB2      ALA  43  -3.977   1.554   1.160
  333    H    VAL  44           HN       VAL  44  -1.573   4.831   2.532
  334    HA   VAL  44           HA       VAL  44   0.542   5.295   0.459
  335    HB   VAL  44           HB       VAL  44  -0.713   6.795   2.664
  336   1HG1  VAL  44          HG11      VAL  44   2.273   6.657   2.376
  337   2HG1  VAL  44          HG13      VAL  44   1.530   8.213   2.748
  338   3HG1  VAL  44          HG12      VAL  44   1.306   6.846   3.837
  339   1HG2  VAL  44          HG22      VAL  44  -0.314   7.111  -0.032
  340   2HG2  VAL  44          HG21      VAL  44  -0.797   8.397   1.072
  341   3HG2  VAL  44          HG23      VAL  44   0.902   8.189   0.651
  342    H    VAL  45           HN       VAL  45   2.678   4.664   0.888
  343    HA   VAL  45           HA       VAL  45   3.212   3.460   3.567
  344    HB   VAL  45           HB       VAL  45   2.185   1.896   1.785
  345   1HG1  VAL  45          HG11      VAL  45   3.730   2.686  -0.029
  346   2HG1  VAL  45          HG13      VAL  45   5.057   1.906   0.833
  347   3HG1  VAL  45          HG12      VAL  45   3.729   0.936   0.194
  348   1HG2  VAL  45          HG23      VAL  45   4.606   1.417   3.488
  349   2HG2  VAL  45          HG22      VAL  45   2.964   0.805   3.692
  350   3HG2  VAL  45          HG21      VAL  45   4.019   0.112   2.459
  351    H    THR  46           HN       THR  46   5.307   3.405   4.175
  352    HA   THR  46           HA       THR  46   7.383   4.614   2.389
  353    HB   THR  46           HB       THR  46   6.771   4.600   5.342
  354    HG1  THR  46           HG1      THR  46   6.331   6.563   4.806
  355   1HG2  THR  46          HG21      THR  46   9.473   4.776   4.054
  356   2HG2  THR  46          HG23      THR  46   9.136   5.748   5.486
  357   3HG2  THR  46          HG22      THR  46   9.004   3.991   5.562
  358    H    PHE  47           HN       PHE  47   9.489   3.455   2.414
  359    HA   PHE  47           HA       PHE  47   9.712   0.975   3.929
  360   1HB   PHE  47           HB2      PHE  47   9.495  -0.519   1.995
  361   2HB   PHE  47           HB1      PHE  47   8.019   0.421   2.207
  362    HD1  PHE  47           HD2      PHE  47  11.222   0.265   0.255
  363    HD2  PHE  47           HD1      PHE  47   7.245   1.891   0.537
  364    HE1  PHE  47           HE2      PHE  47  11.425   1.160  -2.037
  365    HE2  PHE  47           HE1      PHE  47   7.452   2.781  -1.765
  366    HZ   PHE  47           HZ       PHE  47   9.531   2.417  -3.053
  367    H    ASP  48           HN       ASP  48  11.507  -0.427   2.810
  368    HA   ASP  48           HA       ASP  48  13.719   1.445   2.113
  369   1HB   ASP  48           HB2      ASP  48  13.663  -1.367   3.266
  370   2HB   ASP  48           HB1      ASP  48  15.137  -0.457   2.935
  371    H    ASP  49           HN       ASP  49  14.001   1.478  -0.074
  372    HA   ASP  49           HA       ASP  49  12.893  -0.356  -1.913
  373   1HB   ASP  49           HB2      ASP  49  13.649   1.877  -2.493
  374   2HB   ASP  49           HB1      ASP  49  15.312   1.464  -2.071
  375    H    THR  50           HN       THR  50  15.586  -0.783   0.151
  376    HA   THR  50           HA       THR  50  17.281  -2.470  -1.401
  377    HB   THR  50           HB       THR  50  17.852  -3.319   0.979
  378    HG1  THR  50           HG1      THR  50  16.092  -2.913   2.142
  379   1HG2  THR  50          HG22      THR  50  18.360  -0.880  -0.382
  380   2HG2  THR  50          HG21      THR  50  18.134  -0.485   1.322
  381   3HG2  THR  50          HG23      THR  50  19.359  -1.661   0.844
  382    H    LYS  51           HN       LYS  51  14.277  -3.156   0.359
  383    HA   LYS  51           HA       LYS  51  14.402  -5.945  -0.730
  384   1HB   LYS  51           HB2      LYS  51  14.296  -4.937   2.010
  385   2HB   LYS  51           HB1      LYS  51  12.997  -6.081   1.667
  386   1HG   LYS  51           HG2      LYS  51  15.826  -6.691   0.835
  387   2HG   LYS  51           HG1      LYS  51  15.287  -7.020   2.481
  388   1HD   LYS  51           HD2      LYS  51  13.223  -8.096   1.091
  389   2HD   LYS  51           HD1      LYS  51  14.537  -8.361  -0.056
  390   1HE   LYS  51           HE2      LYS  51  15.850  -9.526   1.650
  391   2HE   LYS  51           HE1      LYS  51  14.604  -9.189   2.869
  392   1HZ   LYS  51           HZ2      LYS  51  12.998 -10.276   1.289
  393   2HZ   LYS  51           HZ1      LYS  51  14.344 -10.832   0.414
  394   3HZ   LYS  51           HZ3      LYS  51  14.116 -11.325   2.020
  395    H    ALA  52           HN       ALA  52  12.669  -3.069  -0.632
  396    HA   ALA  52           HA       ALA  52  10.223  -4.486  -1.585
  397   1HB   ALA  52           HB1      ALA  52  10.590  -3.133   0.930
  398   2HB   ALA  52           HB3      ALA  52   9.394  -2.263  -0.029
  399   3HB   ALA  52           HB2      ALA  52   9.159  -3.972   0.333
  400    H    SER  53           HN       SER  53   8.588  -2.530  -2.224
  401    HA   SER  53           HA       SER  53   9.563  -0.039  -3.151
  402   1HB   SER  53           HB2      SER  53  10.907  -0.657  -4.865
  403   2HB   SER  53           HB1      SER  53  10.544  -2.351  -4.555
  404    HG   SER  53           HG       SER  53   9.888  -1.767  -6.641
  405    H    VAL  54           HN       VAL  54   8.070   0.850  -4.930
  406    HA   VAL  54           HA       VAL  54   5.393   0.767  -4.376
  407    HB   VAL  54           HB       VAL  54   6.901   1.015  -6.979
  408   1HG1  VAL  54          HG12      VAL  54   3.924   1.138  -6.496
  409   2HG1  VAL  54          HG11      VAL  54   4.675   2.062  -7.797
  410   3HG1  VAL  54          HG13      VAL  54   4.793   0.302  -7.782
  411   1HG2  VAL  54          HG22      VAL  54   7.112   2.772  -5.220
  412   2HG2  VAL  54          HG21      VAL  54   6.351   3.383  -6.689
  413   3HG2  VAL  54          HG23      VAL  54   5.365   3.004  -5.277
  414    H    GLN  55           HN       GLN  55   6.852  -1.335  -6.905
  415    HA   GLN  55           HA       GLN  55   4.661  -2.856  -7.640
  416   1HB   GLN  55           HB2      GLN  55   7.237  -2.931  -8.208
  417   2HB   GLN  55           HB1      GLN  55   7.263  -4.212  -6.995
  418   1HG   GLN  55           HG2      GLN  55   6.801  -5.466  -8.887
  419   2HG   GLN  55           HG1      GLN  55   5.160  -5.082  -8.366
  420   1HE2  GLN  55          HE22      GLN  55   4.481  -2.982 -11.141
  421   2HE2  GLN  55          HE21      GLN  55   3.937  -3.540  -9.633
  422    H    LYS  56           HN       LYS  56   6.739  -3.469  -4.785
  423    HA   LYS  56           HA       LYS  56   5.165  -5.721  -3.868
  424   1HB   LYS  56           HB2      LYS  56   7.644  -4.575  -3.365
  425   2HB   LYS  56           HB1      LYS  56   6.754  -4.291  -1.868
  426   1HG   LYS  56           HG2      LYS  56   7.888  -6.463  -1.763
  427   2HG   LYS  56           HG1      LYS  56   6.140  -6.697  -1.800
  428   1HD   LYS  56           HD2      LYS  56   6.489  -8.081  -3.550
  429   2HD   LYS  56           HD1      LYS  56   6.852  -6.633  -4.490
  430   1HE   LYS  56           HE2      LYS  56   9.252  -6.822  -3.761
  431   2HE   LYS  56           HE1      LYS  56   8.846  -8.372  -2.997
  432   1HZ   LYS  56           HZ2      LYS  56   8.344  -7.684  -5.846
  433   2HZ   LYS  56           HZ1      LYS  56   9.613  -8.670  -5.292
  434   3HZ   LYS  56           HZ3      LYS  56   8.004  -9.173  -5.101
  435    H    LEU  57           HN       LEU  57   5.003  -2.233  -3.268
  436    HA   LEU  57           HA       LEU  57   3.348  -2.402  -0.904
  437   1HB   LEU  57           HB2      LEU  57   3.529  -0.246  -3.037
  438   2HB   LEU  57           HB1      LEU  57   2.985  -0.025  -1.376
  439    HG   LEU  57           HG       LEU  57   5.769  -0.874  -2.220
  440   1HD1  LEU  57          HD11      LEU  57   4.454   1.713  -1.721
  441   2HD1  LEU  57          HD13      LEU  57   5.969   1.489  -0.847
  442   3HD1  LEU  57          HD12      LEU  57   5.937   1.356  -2.606
  443   1HD2  LEU  57          HD21      LEU  57   4.342  -1.049   0.305
  444   2HD2  LEU  57          HD23      LEU  57   5.961  -1.622  -0.093
  445   3HD2  LEU  57          HD22      LEU  57   5.723   0.039   0.449
  446    H    THR  58           HN       THR  58   2.493  -1.478  -4.259
  447    HA   THR  58           HA       THR  58  -0.327  -1.753  -3.943
  448    HB   THR  58           HB       THR  58   0.845  -0.575  -5.793
  449    HG1  THR  58           HG1      THR  58  -0.352  -1.910  -7.522
  450   1HG2  THR  58          HG23      THR  58   1.882  -3.338  -6.249
  451   2HG2  THR  58          HG22      THR  58   1.589  -2.326  -7.663
  452   3HG2  THR  58          HG21      THR  58   2.708  -1.789  -6.411
  453    H    LYS  59           HN       LYS  59   2.234  -4.089  -4.369
  454    HA   LYS  59           HA       LYS  59   0.531  -6.247  -5.276
  455   1HB   LYS  59           HB2      LYS  59   2.809  -6.345  -5.904
  456   2HB   LYS  59           HB1      LYS  59   3.355  -5.919  -4.283
  457   1HG   LYS  59           HG2      LYS  59   3.435  -8.085  -3.681
  458   2HG   LYS  59           HG1      LYS  59   1.762  -8.328  -4.187
  459   1HD   LYS  59           HD2      LYS  59   2.827  -8.283  -6.611
  460   2HD   LYS  59           HD1      LYS  59   4.291  -8.743  -5.740
  461   1HE   LYS  59           HE2      LYS  59   3.448 -10.812  -5.141
  462   2HE   LYS  59           HE1      LYS  59   1.773 -10.227  -5.085
  463   1HZ   LYS  59           HZ1      LYS  59   3.156 -10.086  -7.652
  464   2HZ   LYS  59           HZ3      LYS  59   2.694 -11.630  -7.122
  465   3HZ   LYS  59           HZ2      LYS  59   1.522 -10.414  -7.318
  466    H    ALA  60           HN       ALA  60   1.635  -4.969  -2.203
  467    HA   ALA  60           HA       ALA  60   0.918  -7.245  -0.600
  468   1HB   ALA  60           HB3      ALA  60   2.536  -5.404  -0.028
  469   2HB   ALA  60           HB2      ALA  60   1.158  -4.316   0.132
  470   3HB   ALA  60           HB1      ALA  60   1.330  -5.687   1.227
  471    H    THR  61           HN       THR  61  -0.650  -4.145  -1.387
  472    HA   THR  61           HA       THR  61  -3.091  -4.716   0.067
  473    HB   THR  61           HB       THR  61  -2.247  -2.448  -0.553
  474    HG1  THR  61           HG1      THR  61  -4.267  -1.718  -1.447
  475   1HG2  THR  61          HG21      THR  61  -2.862  -3.404  -3.359
  476   2HG2  THR  61          HG23      THR  61  -2.495  -1.734  -2.929
  477   3HG2  THR  61          HG22      THR  61  -1.274  -2.987  -2.716
  478    H    ALA  62           HN       ALA  62  -1.818  -5.213  -3.102
  479    HA   ALA  62           HA       ALA  62  -4.216  -6.041  -4.455
  480   1HB   ALA  62           HB3      ALA  62  -1.247  -6.439  -4.802
  481   2HB   ALA  62           HB2      ALA  62  -2.383  -7.235  -5.890
  482   3HB   ALA  62           HB1      ALA  62  -2.344  -5.474  -5.788
  483    H    ASP  63           HN       ASP  63  -1.871  -7.643  -2.381
  484    HA   ASP  63           HA       ASP  63  -3.063 -10.309  -2.829
  485   1HB   ASP  63           HB2      ASP  63  -0.655 -10.116  -2.590
  486   2HB   ASP  63           HB1      ASP  63  -0.833  -9.213  -1.085
  487    H    ALA  64           HN       ALA  64  -3.572  -7.582  -0.851
  488    HA   ALA  64           HA       ALA  64  -4.565  -8.973   1.521
  489   1HB   ALA  64           HB3      ALA  64  -3.826  -6.365   0.728
  490   2HB   ALA  64           HB2      ALA  64  -5.552  -6.272   1.081
  491   3HB   ALA  64           HB1      ALA  64  -4.430  -6.847   2.313
  492    H    GLY  65           HN       GLY  65  -5.762  -7.871  -1.564
  493   1HA   GLY  65           HA2      GLY  65  -7.838  -9.332  -2.155
  494   2HA   GLY  65           HA1      GLY  65  -8.543  -8.555  -0.744
  495    H    TYR  66           HN       TYR  66  -6.436  -6.569  -2.702
  496    HA   TYR  66           HA       TYR  66  -8.812  -5.440  -4.119
  497   1HB   TYR  66           HB2      TYR  66  -6.792  -3.835  -2.545
  498   2HB   TYR  66           HB1      TYR  66  -8.286  -3.250  -3.270
  499    HD1  TYR  66           HD1      TYR  66 -10.410  -4.759  -2.544
  500    HD2  TYR  66           HD2      TYR  66  -6.807  -4.153  -0.311
  501    HE1  TYR  66           HE1      TYR  66 -11.632  -5.253  -0.459
  502    HE2  TYR  66           HE2      TYR  66  -8.018  -4.621   1.781
  503    HH   TYR  66           HH       TYR  66 -10.749  -6.198   2.012
  504    HA   PRO  67           HA       PRO  67  -5.526  -5.554  -7.268
  505   1HB   PRO  67           HB2      PRO  67  -7.444  -4.384  -9.070
  506   2HB   PRO  67           HB1      PRO  67  -6.875  -6.056  -9.042
  507   1HG   PRO  67           HG2      PRO  67  -9.454  -5.042  -8.246
  508   2HG   PRO  67           HG1      PRO  67  -8.903  -6.720  -8.280
  509   1HD   PRO  67           HD2      PRO  67  -9.390  -5.095  -5.966
  510   2HD   PRO  67           HD1      PRO  67  -8.732  -6.750  -6.004
  511    H    SER  68           HN       SER  68  -4.314  -3.803  -6.338
  512    HA   SER  68           HA       SER  68  -5.447  -1.066  -6.695
  513   1HB   SER  68           HB2      SER  68  -4.851  -1.101  -4.510
  514   2HB   SER  68           HB1      SER  68  -3.843  -2.527  -4.729
  515    HG   SER  68           HG       SER  68  -3.120   0.042  -4.519
  516    H    SER  69           HN       SER  69  -3.335   0.536  -6.683
  517    HA   SER  69           HA       SER  69  -1.318  -0.299  -8.680
  518   1HB   SER  69           HB2      SER  69  -3.720   1.239  -9.197
  519   2HB   SER  69           HB1      SER  69  -2.294   2.234  -9.483
  520    HG   SER  69           HG       SER  69  -2.331  -0.401 -10.433
  521    H    VAL  70           HN       VAL  70  -0.387   2.358  -9.089
  522    HA   VAL  70           HA       VAL  70   0.165   3.305  -6.325
  523    HB   VAL  70           HB       VAL  70   1.735   1.584  -7.398
  524   1HG1  VAL  70          HG11      VAL  70   1.697   3.058  -9.575
  525   2HG1  VAL  70          HG13      VAL  70   2.960   3.975  -8.753
  526   3HG1  VAL  70          HG12      VAL  70   3.196   2.262  -9.096
  527   1HG2  VAL  70          HG22      VAL  70   2.350   4.089  -5.954
  528   2HG2  VAL  70          HG21      VAL  70   2.778   2.428  -5.550
  529   3HG2  VAL  70          HG23      VAL  70   3.745   3.326  -6.717
  530    H    LYS  71           HN       LYS  71   1.019   5.515  -6.233
  531    HA   LYS  71           HA       LYS  71   0.401   7.061  -8.737
  532   1HB   LYS  71           HB2      LYS  71   0.198   8.366  -6.069
  533   2HB   LYS  71           HB1      LYS  71  -0.814   8.579  -7.491
  534   1HG   LYS  71           HG2      LYS  71  -1.294   5.942  -6.764
  535   2HG   LYS  71           HG1      LYS  71  -1.169   6.782  -5.217
  536   1HD   LYS  71           HD2      LYS  71  -2.766   8.007  -7.431
  537   2HD   LYS  71           HD1      LYS  71  -3.467   6.691  -6.489
  538   1HE   LYS  71           HE2      LYS  71  -2.889   8.002  -4.392
  539   2HE   LYS  71           HE1      LYS  71  -2.472   9.365  -5.451
  540   1HZ   LYS  71           HZ3      LYS  71  -4.685   9.107  -6.493
  541   2HZ   LYS  71           HZ2      LYS  71  -5.079   7.943  -5.320
  542   3HZ   LYS  71           HZ1      LYS  71  -4.773   9.549  -4.858
  543    H    GLN  72           HN       GLN  72   2.868   5.940  -7.558
  544    HA   GLN  72           HA       GLN  72   4.690   7.656  -6.403
  545   1HB   GLN  72           HB2      GLN  72   6.377   6.520  -7.787
  546   2HB   GLN  72           HB1      GLN  72   5.132   5.372  -7.293
  547   1HG   GLN  72           HG2      GLN  72   5.144   4.876  -9.534
  548   2HG   GLN  72           HG1      GLN  72   4.026   6.239  -9.593
  549   1HE2  GLN  72          HE22      GLN  72   7.700   6.572 -11.292
  550   2HE2  GLN  72          HE21      GLN  72   7.225   5.150 -10.497
   
  No H/Q in entry =         550
  Start of MODEL   12
    1   1H    ALA   1           HT3      ALA   1  17.594   4.317   0.086
    2   2H    ALA   1           HT2      ALA   1  18.405   3.678  -1.264
    3   3H    ALA   1           HT1      ALA   1  17.298   4.952  -1.458
    4    HA   ALA   1           HA       ALA   1  15.963   3.218  -2.094
    5   1HB   ALA   1           HB1      ALA   1  17.958   1.806  -0.395
    6   2HB   ALA   1           HB3      ALA   1  16.386   1.026  -0.573
    7   3HB   ALA   1           HB2      ALA   1  17.356   1.391  -2.000
    8    H    THR   2           HN       THR   2  14.732   4.972  -0.778
    9    HA   THR   2           HA       THR   2  13.123   3.667   1.274
   10    HB   THR   2           HB       THR   2  13.609   6.131   2.367
   11    HG1  THR   2           HG1      THR   2  16.124   5.112   1.612
   12   1HG2  THR   2          HG21      THR   2  13.525   3.931   3.520
   13   2HG2  THR   2          HG23      THR   2  15.153   3.593   2.933
   14   3HG2  THR   2          HG22      THR   2  14.881   4.920   4.062
   15    H    GLN   3           HN       GLN   3  11.478   3.912  -0.345
   16    HA   GLN   3           HA       GLN   3  10.900   6.730  -1.192
   17   1HB   GLN   3           HB2      GLN   3  10.723   4.042  -2.374
   18   2HB   GLN   3           HB1      GLN   3   9.343   5.080  -2.734
   19   1HG   GLN   3           HG2      GLN   3  11.486   6.794  -3.059
   20   2HG   GLN   3           HG1      GLN   3  12.114   5.268  -3.680
   21   1HE2  GLN   3          HE22      GLN   3  10.238   5.465  -6.645
   22   2HE2  GLN   3          HE21      GLN   3  11.517   4.744  -5.793
   23    H    THR   4           HN       THR   4   8.836   7.598  -1.057
   24    HA   THR   4           HA       THR   4   6.863   6.148   0.677
   25    HB   THR   4           HB       THR   4   7.335   9.137   0.413
   26    HG1  THR   4           HG1      THR   4   8.468   7.172   2.054
   27   1HG2  THR   4          HG22      THR   4   5.641   7.380   2.173
   28   2HG2  THR   4          HG21      THR   4   6.166   8.966   2.737
   29   3HG2  THR   4          HG23      THR   4   5.178   8.830   1.283
   30    H    VAL   5           HN       VAL   5   4.887   5.846  -0.312
   31    HA   VAL   5           HA       VAL   5   3.987   7.705  -2.484
   32    HB   VAL   5           HB       VAL   5   3.986   4.749  -2.998
   33   1HG1  VAL   5          HG12      VAL   5   3.094   6.936  -4.378
   34   2HG1  VAL   5          HG11      VAL   5   4.697   6.713  -5.078
   35   3HG1  VAL   5          HG13      VAL   5   3.526   5.399  -5.126
   36   1HG2  VAL   5          HG23      VAL   5   6.369   6.576  -3.483
   37   2HG2  VAL   5          HG22      VAL   5   6.321   5.245  -2.326
   38   3HG2  VAL   5          HG21      VAL   5   6.218   4.914  -4.055
   39    H    THR   6           HN       THR   6   1.707   7.164  -3.092
   40    HA   THR   6           HA       THR   6   0.287   5.898  -0.790
   41    HB   THR   6           HB       THR   6  -0.644   8.026  -0.954
   42    HG1  THR   6           HG1      THR   6  -2.555   7.338  -1.363
   43   1HG2  THR   6          HG23      THR   6   0.120   7.778  -3.836
   44   2HG2  THR   6          HG22      THR   6  -1.125   8.939  -3.378
   45   3HG2  THR   6          HG21      THR   6   0.495   9.066  -2.692
   46    H    LEU   7           HN       LEU   7  -1.799   4.787  -1.613
   47    HA   LEU   7           HA       LEU   7  -1.209   3.480  -4.238
   48   1HB   LEU   7           HB2      LEU   7  -1.124   2.426  -1.535
   49   2HB   LEU   7           HB1      LEU   7  -2.283   1.530  -2.519
   50    HG   LEU   7           HG       LEU   7  -0.637   1.010  -4.156
   51   1HD1  LEU   7          HD12      LEU   7   0.970   3.129  -2.779
   52   2HD1  LEU   7          HD11      LEU   7   1.760   1.895  -3.758
   53   3HD1  LEU   7          HD13      LEU   7   0.580   2.974  -4.486
   54   1HD2  LEU   7          HD21      LEU   7  -0.424  -0.017  -1.700
   55   2HD2  LEU   7          HD23      LEU   7   0.744  -0.413  -2.959
   56   3HD2  LEU   7          HD22      LEU   7   1.130   0.817  -1.758
   57    H    ALA   8           HN       ALA   8  -3.060   2.616  -5.297
   58    HA   ALA   8           HA       ALA   8  -5.626   3.872  -4.393
   59   1HB   ALA   8           HB2      ALA   8  -4.176   3.888  -6.798
   60   2HB   ALA   8           HB1      ALA   8  -5.551   2.827  -7.107
   61   3HB   ALA   8           HB3      ALA   8  -5.819   4.483  -6.563
   62    H    VAL   9           HN       VAL   9  -6.378   2.179  -3.035
   63    HA   VAL   9           HA       VAL   9  -6.822  -0.487  -4.332
   64    HB   VAL   9           HB       VAL   9  -5.523  -0.616  -2.307
   65   1HG1  VAL   9          HG11      VAL   9  -7.342   1.562  -1.495
   66   2HG1  VAL   9          HG13      VAL   9  -7.001   0.392  -0.221
   67   3HG1  VAL   9          HG12      VAL   9  -5.675   1.250  -1.007
   68   1HG2  VAL   9          HG22      VAL   9  -8.267  -1.593  -2.370
   69   2HG2  VAL   9          HG21      VAL   9  -6.805  -2.403  -1.809
   70   3HG2  VAL   9          HG23      VAL   9  -7.702  -1.351  -0.717
   71    HA   PRO  10           HA       PRO  10 -11.044   1.250  -4.209
   72   1HB   PRO  10           HB2      PRO  10 -11.833  -0.434  -6.314
   73   2HB   PRO  10           HB1      PRO  10 -11.266   1.231  -6.475
   74   1HG   PRO  10           HG2      PRO  10  -9.924  -1.222  -7.267
   75   2HG   PRO  10           HG1      PRO  10  -9.456   0.450  -7.597
   76   1HD   PRO  10           HD2      PRO  10  -8.288  -1.383  -5.679
   77   2HD   PRO  10           HD1      PRO  10  -7.785   0.284  -6.054
   78    H    GLY  11           HN       GLY  11 -10.213  -0.816  -2.341
   79   1HA   GLY  11           HA2      GLY  11 -12.028  -3.094  -2.716
   80   2HA   GLY  11           HA1      GLY  11 -10.929  -2.847  -1.360
   81    H    MET  12           HN       MET  12 -11.735  -0.264  -0.586
   82    HA   MET  12           HA       MET  12 -13.325   0.788   0.784
   83   1HB   MET  12           HB2      MET  12 -15.005  -0.726  -1.233
   84   2HB   MET  12           HB1      MET  12 -15.738   0.294   0.003
   85   1HG   MET  12           HG2      MET  12 -14.759   2.254  -0.856
   86   2HG   MET  12           HG1      MET  12 -13.540   1.356  -1.759
   87   1HE   MET  12           HE3      MET  12 -16.650   2.834  -1.292
   88   2HE   MET  12           HE2      MET  12 -16.535   3.585  -2.881
   89   3HE   MET  12           HE1      MET  12 -17.791   2.389  -2.569
   90    H    THR  13           HN       THR  13 -15.376  -2.021   0.267
   91    HA   THR  13           HA       THR  13 -16.278  -3.525   1.841
   92    HB   THR  13           HB       THR  13 -14.281  -4.436   3.327
   93    HG1  THR  13           HG1      THR  13 -12.714  -3.437   1.271
   94   1HG2  THR  13          HG21      THR  13 -14.579  -4.657   0.334
   95   2HG2  THR  13          HG23      THR  13 -13.430  -5.643   1.237
   96   3HG2  THR  13          HG22      THR  13 -15.157  -5.772   1.572
   97    H    CYS  14           HN       CYS  14 -15.765  -0.507   2.613
   98    HA   CYS  14           HA       CYS  14 -16.055   0.842   4.529
   99   1HB   CYS  14           HB2      CYS  14 -18.065  -0.956   4.084
  100   2HB   CYS  14           HB1      CYS  14 -17.678  -1.274   5.774
  101    HG   CYS  14           HG       CYS  14 -18.082   1.311   6.247
  102    H    ALA  15           HN       ALA  15 -14.175   0.984   5.759
  103    HA   ALA  15           HA       ALA  15 -12.698   0.551   7.553
  104   1HB   ALA  15           HB2      ALA  15 -15.424  -0.091   8.271
  105   2HB   ALA  15           HB1      ALA  15 -14.308  -1.138   9.148
  106   3HB   ALA  15           HB3      ALA  15 -14.155   0.614   9.273
  107    H    ALA  16           HN       ALA  16 -12.727  -1.365   5.263
  108    HA   ALA  16           HA       ALA  16 -11.486  -3.679   6.699
  109   1HB   ALA  16           HB1      ALA  16 -13.866  -3.578   5.004
  110   2HB   ALA  16           HB3      ALA  16 -12.666  -4.715   4.388
  111   3HB   ALA  16           HB2      ALA  16 -13.285  -4.890   6.030
  112    H    CYS  17           HN       CYS  17 -11.991  -2.094   3.540
  113    HA   CYS  17           HA       CYS  17  -9.835  -3.207   2.112
  114   1HB   CYS  17           HB2      CYS  17 -11.306  -1.944   0.860
  115   2HB   CYS  17           HB1      CYS  17 -11.442  -0.688   2.079
  116    HG   CYS  17           HG       CYS  17  -9.483   0.514   1.083
  117    HA   PRO  18           HA       PRO  18  -7.025   0.343   3.787
  118   1HB   PRO  18           HB2      PRO  18  -7.977   1.492   6.155
  119   2HB   PRO  18           HB1      PRO  18  -8.102   2.193   4.538
  120   1HG   PRO  18           HG2      PRO  18 -10.204   1.026   6.209
  121   2HG   PRO  18           HG1      PRO  18 -10.357   2.031   4.766
  122   1HD   PRO  18           HD2      PRO  18 -10.791  -0.786   4.965
  123   2HD   PRO  18           HD1      PRO  18 -10.805   0.202   3.486
  124    H    ILE  19           HN       ILE  19  -8.534  -2.067   5.770
  125    HA   ILE  19           HA       ILE  19  -6.380  -1.983   7.814
  126    HB   ILE  19           HB       ILE  19  -8.993  -3.425   7.395
  127   1HG1  ILE  19          HG12      ILE  19  -8.383  -2.406  10.043
  128   2HG1  ILE  19          HG11      ILE  19  -8.125  -1.161   8.822
  129   1HG2  ILE  19          HG23      ILE  19  -7.310  -5.128   8.125
  130   2HG2  ILE  19          HG22      ILE  19  -6.947  -4.121   9.526
  131   3HG2  ILE  19          HG21      ILE  19  -8.551  -4.830   9.342
  132   1HD1  ILE  19          HD13      ILE  19 -10.472  -2.205   7.945
  133   2HD1  ILE  19          HD12      ILE  19 -10.642  -2.471   9.680
  134   3HD1  ILE  19          HD11      ILE  19 -10.374  -0.842   9.060
  135    H    THR  20           HN       THR  20  -7.620  -4.027   5.230
  136    HA   THR  20           HA       THR  20  -5.676  -6.145   5.564
  137    HB   THR  20           HB       THR  20  -7.781  -5.251   3.619
  138    HG1  THR  20           HG1      THR  20  -7.278  -7.479   5.273
  139   1HG2  THR  20          HG23      THR  20  -5.835  -7.516   3.152
  140   2HG2  THR  20          HG22      THR  20  -7.268  -7.173   2.180
  141   3HG2  THR  20          HG21      THR  20  -5.932  -6.022   2.221
  142    H    VAL  21           HN       VAL  21  -6.038  -3.295   3.441
  143    HA   VAL  21           HA       VAL  21  -3.725  -3.826   1.845
  144    HB   VAL  21           HB       VAL  21  -5.359  -1.382   2.555
  145   1HG1  VAL  21          HG12      VAL  21  -2.973  -1.612   0.703
  146   2HG1  VAL  21          HG11      VAL  21  -4.151  -0.304   0.598
  147   3HG1  VAL  21          HG13      VAL  21  -3.180  -0.500   2.056
  148   1HG2  VAL  21          HG22      VAL  21  -5.263  -3.400   0.359
  149   2HG2  VAL  21          HG21      VAL  21  -6.655  -2.607   1.094
  150   3HG2  VAL  21          HG23      VAL  21  -5.671  -1.743  -0.086
  151    H    LYS  22           HN       LYS  22  -4.283  -1.737   4.676
  152    HA   LYS  22           HA       LYS  22  -1.745  -0.645   5.052
  153   1HB   LYS  22           HB2      LYS  22  -3.504  -0.001   6.492
  154   2HB   LYS  22           HB1      LYS  22  -3.893  -1.670   6.906
  155   1HG   LYS  22           HG2      LYS  22  -2.348  -1.738   8.564
  156   2HG   LYS  22           HG1      LYS  22  -1.136  -0.910   7.585
  157   1HD   LYS  22           HD2      LYS  22  -3.011   1.072   8.049
  158   2HD   LYS  22           HD1      LYS  22  -2.987   0.187   9.575
  159   1HE   LYS  22           HE2      LYS  22  -0.324   0.326   9.126
  160   2HE   LYS  22           HE1      LYS  22  -0.840   1.812   8.304
  161   1HZ   LYS  22           HZ2      LYS  22  -2.372   1.816  10.519
  162   2HZ   LYS  22           HZ1      LYS  22  -0.929   1.146  11.116
  163   3HZ   LYS  22           HZ3      LYS  22  -0.909   2.667  10.364
  164    H    LYS  23           HN       LYS  23  -2.886  -3.860   6.159
  165    HA   LYS  23           HA       LYS  23  -0.324  -4.583   7.304
  166   1HB   LYS  23           HB2      LYS  23  -2.810  -6.115   6.520
  167   2HB   LYS  23           HB1      LYS  23  -1.468  -6.835   7.409
  168   1HG   LYS  23           HG2      LYS  23  -1.764  -5.260   9.238
  169   2HG   LYS  23           HG1      LYS  23  -2.994  -4.381   8.329
  170   1HD   LYS  23           HD2      LYS  23  -4.605  -5.818   8.976
  171   2HD   LYS  23           HD1      LYS  23  -3.639  -7.208   8.477
  172   1HE   LYS  23           HE2      LYS  23  -2.785  -7.542  10.595
  173   2HE   LYS  23           HE1      LYS  23  -2.807  -5.811  10.986
  174   1HZ   LYS  23           HZ3      LYS  23  -5.288  -7.375  10.559
  175   2HZ   LYS  23           HZ2      LYS  23  -4.577  -7.210  12.093
  176   3HZ   LYS  23           HZ1      LYS  23  -5.129  -5.838  11.258
  177    H    ALA  24           HN       ALA  24  -1.669  -4.835   4.106
  178    HA   ALA  24           HA       ALA  24  -0.043  -6.973   3.129
  179   1HB   ALA  24           HB2      ALA  24  -2.121  -5.297   2.258
  180   2HB   ALA  24           HB1      ALA  24  -0.785  -4.989   1.148
  181   3HB   ALA  24           HB3      ALA  24  -1.400  -6.629   1.355
  182    H    LEU  25           HN       LEU  25   0.248  -3.429   2.821
  183    HA   LEU  25           HA       LEU  25   2.801  -3.504   1.486
  184   1HB   LEU  25           HB2      LEU  25   1.333  -1.389   3.086
  185   2HB   LEU  25           HB1      LEU  25   2.691  -1.080   2.000
  186    HG   LEU  25           HG       LEU  25   1.105  -2.539   0.369
  187   1HD1  LEU  25          HD11      LEU  25  -0.607  -1.422   2.497
  188   2HD1  LEU  25          HD13      LEU  25  -1.161  -1.158   0.844
  189   3HD1  LEU  25          HD12      LEU  25  -0.879  -2.798   1.427
  190   1HD2  LEU  25          HD21      LEU  25   1.721   0.266   0.828
  191   2HD2  LEU  25          HD23      LEU  25   1.601  -0.621  -0.688
  192   3HD2  LEU  25          HD22      LEU  25   0.152   0.058   0.051
  193    H    SER  26           HN       SER  26   1.783  -3.269   4.862
  194    HA   SER  26           HA       SER  26   4.390  -2.620   5.942
  195   1HB   SER  26           HB2      SER  26   2.813  -2.253   7.560
  196   2HB   SER  26           HB1      SER  26   1.691  -3.408   6.849
  197    HG   SER  26           HG       SER  26   3.532  -3.723   8.856
  198    H    LYS  27           HN       LYS  27   2.880  -5.537   4.756
  199    HA   LYS  27           HA       LYS  27   5.131  -7.122   5.893
  200   1HB   LYS  27           HB2      LYS  27   3.614  -9.024   5.735
  201   2HB   LYS  27           HB1      LYS  27   2.776  -7.702   6.547
  202   1HG   LYS  27           HG2      LYS  27   1.196  -8.423   4.967
  203   2HG   LYS  27           HG1      LYS  27   1.967  -7.061   4.158
  204   1HD   LYS  27           HD2      LYS  27   2.730  -8.379   2.510
  205   2HD   LYS  27           HD1      LYS  27   3.450  -9.494   3.673
  206   1HE   LYS  27           HE2      LYS  27   1.421 -10.748   3.881
  207   2HE   LYS  27           HE1      LYS  27   0.484  -9.498   3.038
  208   1HZ   LYS  27           HZ2      LYS  27   2.839 -10.613   1.699
  209   2HZ   LYS  27           HZ1      LYS  27   1.434 -11.566   1.748
  210   3HZ   LYS  27           HZ3      LYS  27   1.391 -10.031   1.028
  211    H    VAL  28           HN       VAL  28   4.357  -5.546   3.132
  212    HA   VAL  28           HA       VAL  28   4.524  -7.374   1.000
  213    HB   VAL  28           HB       VAL  28   4.074  -4.944   0.842
  214   1HG1  VAL  28          HG11      VAL  28   5.996  -4.428   2.509
  215   2HG1  VAL  28          HG13      VAL  28   7.039  -4.476   1.088
  216   3HG1  VAL  28          HG12      VAL  28   5.726  -3.303   1.179
  217   1HG2  VAL  28          HG22      VAL  28   6.351  -6.101  -0.769
  218   2HG2  VAL  28          HG21      VAL  28   4.658  -5.928  -1.235
  219   3HG2  VAL  28          HG23      VAL  28   5.691  -4.503  -1.118
  220    H    GLU  29           HN       GLU  29   7.267  -5.772   2.692
  221    HA   GLU  29           HA       GLU  29   8.982  -8.000   2.723
  222   1HB   GLU  29           HB2      GLU  29   8.604  -6.739   0.114
  223   2HB   GLU  29           HB1      GLU  29  10.303  -6.799   0.588
  224   1HG   GLU  29           HG2      GLU  29   8.905  -9.273   1.227
  225   2HG   GLU  29           HG1      GLU  29   8.834  -8.900  -0.495
  226    H    GLY  30           HN       GLY  30   9.979  -4.946   1.232
  227   1HA   GLY  30           HA2      GLY  30  11.753  -4.464   3.547
  228   2HA   GLY  30           HA1      GLY  30  11.825  -3.625   1.999
  229    H    VAL  31           HN       VAL  31   8.617  -3.750   2.998
  230    HA   VAL  31           HA       VAL  31   8.257  -0.973   3.273
  231    HB   VAL  31           HB       VAL  31   6.467  -2.684   3.049
  232   1HG1  VAL  31          HG12      VAL  31   7.776  -3.924   5.145
  233   2HG1  VAL  31          HG11      VAL  31   6.350  -3.245   5.930
  234   3HG1  VAL  31          HG13      VAL  31   6.165  -4.346   4.565
  235   1HG2  VAL  31          HG22      VAL  31   6.066  -0.355   3.982
  236   2HG2  VAL  31          HG21      VAL  31   4.865  -1.555   4.459
  237   3HG2  VAL  31          HG23      VAL  31   6.125  -1.071   5.593
  238    H    SER  32           HN       SER  32   8.370   0.434   4.891
  239    HA   SER  32           HA       SER  32   9.468  -0.497   7.513
  240   1HB   SER  32           HB2      SER  32  10.113   1.973   5.872
  241   2HB   SER  32           HB1      SER  32  10.762   1.645   7.477
  242    HG   SER  32           HG       SER  32  12.130   0.316   6.603
  243    H    LYS  33           HN       LYS  33   6.972   1.131   5.876
  244    HA   LYS  33           HA       LYS  33   5.678   1.844   8.409
  245   1HB   LYS  33           HB2      LYS  33   7.051   3.719   8.502
  246   2HB   LYS  33           HB1      LYS  33   7.170   3.846   6.749
  247   1HG   LYS  33           HG2      LYS  33   5.280   5.112   6.584
  248   2HG   LYS  33           HG1      LYS  33   4.447   4.213   7.854
  249   1HD   LYS  33           HD2      LYS  33   5.074   5.689   9.447
  250   2HD   LYS  33           HD1      LYS  33   6.739   5.726   8.865
  251   1HE   LYS  33           HE2      LYS  33   6.380   7.593   7.590
  252   2HE   LYS  33           HE1      LYS  33   4.759   7.060   7.101
  253   1HZ   LYS  33           HZ2      LYS  33   5.288   7.757   9.913
  254   2HZ   LYS  33           HZ1      LYS  33   4.990   8.996   8.789
  255   3HZ   LYS  33           HZ3      LYS  33   3.821   7.797   9.056
  256    H    VAL  34           HN       VAL  34   3.450   1.998   8.075
  257    HA   VAL  34           HA       VAL  34   2.500   2.295   5.240
  258    HB   VAL  34           HB       VAL  34   1.298   0.484   7.345
  259   1HG1  VAL  34          HG12      VAL  34   0.669   1.226   4.619
  260   2HG1  VAL  34          HG11      VAL  34   0.971  -0.509   4.728
  261   3HG1  VAL  34          HG13      VAL  34  -0.261   0.238   5.745
  262   1HG2  VAL  34          HG22      VAL  34   3.617   0.044   5.485
  263   2HG2  VAL  34          HG21      VAL  34   3.410  -0.493   7.152
  264   3HG2  VAL  34          HG23      VAL  34   2.536  -1.302   5.850
  265    H    ASP  35           HN       ASP  35   0.123   2.939   5.162
  266    HA   ASP  35           HA       ASP  35  -0.989   4.166   7.610
  267   1HB   ASP  35           HB2      ASP  35   0.770   5.653   6.231
  268   2HB   ASP  35           HB1      ASP  35  -0.672   5.996   5.275
  269    H    VAL  36           HN       VAL  36  -3.214   5.018   7.179
  270    HA   VAL  36           HA       VAL  36  -4.455   3.638   4.824
  271    HB   VAL  36           HB       VAL  36  -5.268   4.138   7.679
  272   1HG1  VAL  36          HG12      VAL  36  -7.093   3.750   5.300
  273   2HG1  VAL  36          HG11      VAL  36  -7.575   3.266   6.927
  274   3HG1  VAL  36          HG13      VAL  36  -7.211   4.957   6.581
  275   1HG2  VAL  36          HG22      VAL  36  -4.366   1.943   6.168
  276   2HG2  VAL  36          HG21      VAL  36  -5.024   1.901   7.805
  277   3HG2  VAL  36          HG23      VAL  36  -6.089   1.659   6.420
  278    H    GLY  37           HN       GLY  37  -5.327   4.978   3.317
  279   1HA   GLY  37           HA2      GLY  37  -6.160   7.719   4.173
  280   2HA   GLY  37           HA1      GLY  37  -5.325   7.440   2.645
  281    H    PHE  38           HN       PHE  38  -8.227   6.333   4.422
  282    HA   PHE  38           HA       PHE  38  -9.577   5.271   2.139
  283   1HB   PHE  38           HB2      PHE  38  -9.947   5.423   4.865
  284   2HB   PHE  38           HB1      PHE  38 -11.241   6.457   4.256
  285    HD1  PHE  38           HD1      PHE  38  -9.680   3.462   2.660
  286    HD2  PHE  38           HD2      PHE  38 -13.194   5.143   4.469
  287    HE1  PHE  38           HE1      PHE  38 -10.978   1.453   2.003
  288    HE2  PHE  38           HE2      PHE  38 -14.491   3.135   3.812
  289    HZ   PHE  38           HZ       PHE  38 -13.388   1.290   2.586
  290    H    GLU  39           HN       GLU  39  -8.884   8.518   2.968
  291    HA   GLU  39           HA       GLU  39 -11.061  10.058   2.200
  292   1HB   GLU  39           HB2      GLU  39  -8.186  10.247   2.291
  293   2HB   GLU  39           HB1      GLU  39  -8.768  11.069   0.843
  294   1HG   GLU  39           HG2      GLU  39  -9.040  12.803   2.321
  295   2HG   GLU  39           HG1      GLU  39 -10.577  11.990   2.614
  296    H    LYS  40           HN       LYS  40  -8.999   8.043   0.201
  297    HA   LYS  40           HA       LYS  40 -10.939   8.246  -2.033
  298   1HB   LYS  40           HB2      LYS  40  -9.192  10.013  -2.323
  299   2HB   LYS  40           HB1      LYS  40  -7.957   8.755  -2.296
  300   1HG   LYS  40           HG2      LYS  40  -8.302   8.305  -4.473
  301   2HG   LYS  40           HG1      LYS  40 -10.021   8.040  -4.178
  302   1HD   LYS  40           HD2      LYS  40 -10.558  10.309  -4.558
  303   2HD   LYS  40           HD1      LYS  40  -8.884  10.829  -4.361
  304   1HE   LYS  40           HE2      LYS  40  -8.783  10.771  -6.639
  305   2HE   LYS  40           HE1      LYS  40  -8.745   9.005  -6.465
  306   1HZ   LYS  40           HZ2      LYS  40 -11.312  10.437  -6.314
  307   2HZ   LYS  40           HZ1      LYS  40 -10.637  10.096  -7.836
  308   3HZ   LYS  40           HZ3      LYS  40 -11.006   8.829  -6.772
  309    H    ARG  41           HN       ARG  41 -10.579   6.084  -0.305
  310    HA   ARG  41           HA       ARG  41  -9.915   3.812  -0.213
  311   1HB   ARG  41           HB2      ARG  41 -11.195   4.602  -2.635
  312   2HB   ARG  41           HB1      ARG  41  -9.989   3.381  -3.043
  313   1HG   ARG  41           HG2      ARG  41 -12.149   2.338  -2.474
  314   2HG   ARG  41           HG1      ARG  41 -10.901   1.890  -1.312
  315   1HD   ARG  41           HD2      ARG  41 -12.953   2.489  -0.102
  316   2HD   ARG  41           HD1      ARG  41 -11.726   3.736   0.193
  317    HE   ARG  41           HE       ARG  41 -13.054   4.572  -2.116
  318   1HH1  ARG  41          HH21      ARG  41 -13.903   3.730   1.126
  319   2HH1  ARG  41          HH22      ARG  41 -15.256   4.810   1.188
  320   1HH2  ARG  41          HH11      ARG  41 -14.811   5.984  -2.046
  321   2HH2  ARG  41          HH12      ARG  41 -15.770   6.086  -0.607
  322    H    GLU  42           HN       GLU  42  -7.612   5.102   0.108
  323    HA   GLU  42           HA       GLU  42  -5.735   3.697  -1.753
  324   1HB   GLU  42           HB2      GLU  42  -4.367   5.873  -1.579
  325   2HB   GLU  42           HB1      GLU  42  -5.829   5.942  -2.563
  326   1HG   GLU  42           HG2      GLU  42  -7.066   6.831  -0.583
  327   2HG   GLU  42           HG1      GLU  42  -5.544   6.874   0.307
  328    H    ALA  43           HN       ALA  43  -3.447   3.694  -0.763
  329    HA   ALA  43           HA       ALA  43  -3.539   3.791   2.231
  330   1HB   ALA  43           HB3      ALA  43  -3.650   1.476   0.690
  331   2HB   ALA  43           HB2      ALA  43  -1.933   1.611   1.068
  332   3HB   ALA  43           HB1      ALA  43  -3.121   1.547   2.370
  333    H    VAL  44           HN       VAL  44  -1.670   4.789   3.045
  334    HA   VAL  44           HA       VAL  44   0.384   5.480   0.999
  335    HB   VAL  44           HB       VAL  44  -1.094   6.902   2.998
  336   1HG1  VAL  44          HG13      VAL  44   0.937   6.398   4.425
  337   2HG1  VAL  44          HG12      VAL  44   1.904   7.274   3.243
  338   3HG1  VAL  44          HG11      VAL  44   0.650   8.116   4.153
  339   1HG2  VAL  44          HG22      VAL  44   0.247   7.322   0.530
  340   2HG2  VAL  44          HG21      VAL  44  -0.875   8.408   1.351
  341   3HG2  VAL  44          HG23      VAL  44   0.856   8.524   1.666
  342    H    VAL  45           HN       VAL  45   2.250   4.447   1.108
  343    HA   VAL  45           HA       VAL  45   3.064   3.258   3.725
  344    HB   VAL  45           HB       VAL  45   2.208   1.973   1.518
  345   1HG1  VAL  45          HG11      VAL  45   4.324   3.054   0.360
  346   2HG1  VAL  45          HG13      VAL  45   5.166   1.708   1.129
  347   3HG1  VAL  45          HG12      VAL  45   3.855   1.394  -0.008
  348   1HG2  VAL  45          HG21      VAL  45   4.095   1.279   3.698
  349   2HG2  VAL  45          HG23      VAL  45   2.567   0.525   3.249
  350   3HG2  VAL  45          HG22      VAL  45   4.036   0.156   2.344
  351    H    THR  46           HN       THR  46   5.438   2.529   3.438
  352    HA   THR  46           HA       THR  46   7.226   4.396   2.042
  353    HB   THR  46           HB       THR  46   6.715   4.259   5.014
  354    HG1  THR  46           HG1      THR  46   5.928   5.989   3.742
  355   1HG2  THR  46          HG21      THR  46   9.356   4.491   3.660
  356   2HG2  THR  46          HG23      THR  46   9.043   5.604   4.992
  357   3HG2  THR  46          HG22      THR  46   8.964   3.863   5.261
  358    H    PHE  47           HN       PHE  47   9.348   3.274   1.840
  359    HA   PHE  47           HA       PHE  47   9.700   0.760   3.312
  360   1HB   PHE  47           HB2      PHE  47   9.418  -0.658   1.309
  361   2HB   PHE  47           HB1      PHE  47   7.936   0.237   1.659
  362    HD1  PHE  47           HD2      PHE  47  11.036   0.291  -0.455
  363    HD2  PHE  47           HD1      PHE  47   7.034   1.776   0.103
  364    HE1  PHE  47           HE2      PHE  47  11.120   1.358  -2.681
  365    HE2  PHE  47           HE1      PHE  47   7.124   2.842  -2.133
  366    HZ   PHE  47           HZ       PHE  47   9.163   2.634  -3.523
  367    H    ASP  48           HN       ASP  48  11.412  -0.602   1.977
  368    HA   ASP  48           HA       ASP  48  13.626   1.298   1.343
  369   1HB   ASP  48           HB2      ASP  48  13.428  -0.795   3.127
  370   2HB   ASP  48           HB1      ASP  48  14.203  -1.566   1.744
  371    H    ASP  49           HN       ASP  49  13.717   1.575  -0.840
  372    HA   ASP  49           HA       ASP  49  12.591  -0.115  -2.799
  373   1HB   ASP  49           HB2      ASP  49  13.181   2.166  -3.260
  374   2HB   ASP  49           HB1      ASP  49  14.868   1.880  -2.829
  375    H    THR  50           HN       THR  50  15.441  -0.589  -0.944
  376    HA   THR  50           HA       THR  50  17.054  -2.069  -2.799
  377    HB   THR  50           HB       THR  50  17.783  -1.105  -0.624
  378    HG1  THR  50           HG1      THR  50  19.200  -2.666  -0.351
  379   1HG2  THR  50          HG21      THR  50  15.668  -1.716   0.584
  380   2HG2  THR  50          HG23      THR  50  16.223  -3.391   0.604
  381   3HG2  THR  50          HG22      THR  50  17.136  -2.149   1.461
  382    H    LYS  51           HN       LYS  51  14.387  -3.017  -0.648
  383    HA   LYS  51           HA       LYS  51  14.483  -5.748  -1.892
  384   1HB   LYS  51           HB2      LYS  51  14.249  -4.769   0.918
  385   2HB   LYS  51           HB1      LYS  51  13.324  -6.208   0.487
  386   1HG   LYS  51           HG2      LYS  51  16.141  -6.137  -0.452
  387   2HG   LYS  51           HG1      LYS  51  15.905  -6.317   1.287
  388   1HD   LYS  51           HD2      LYS  51  15.425  -8.491   0.973
  389   2HD   LYS  51           HD1      LYS  51  14.020  -8.020   0.015
  390   1HE   LYS  51           HE2      LYS  51  15.311  -9.372  -1.464
  391   2HE   LYS  51           HE1      LYS  51  15.726  -7.711  -1.934
  392   1HZ   LYS  51           HZ2      LYS  51  17.529  -7.870  -0.190
  393   2HZ   LYS  51           HZ1      LYS  51  17.251  -9.546  -0.179
  394   3HZ   LYS  51           HZ3      LYS  51  17.775  -8.785  -1.601
  395    H    ALA  52           HN       ALA  52  12.775  -2.938  -1.856
  396    HA   ALA  52           HA       ALA  52  10.267  -4.323  -2.627
  397   1HB   ALA  52           HB1      ALA  52  10.706  -3.322  -0.058
  398   2HB   ALA  52           HB3      ALA  52   9.763  -2.061  -0.851
  399   3HB   ALA  52           HB2      ALA  52   9.137  -3.708  -0.764
  400    H    SER  53           HN       SER  53   8.617  -2.200  -2.974
  401    HA   SER  53           HA       SER  53   9.625   0.250  -3.958
  402   1HB   SER  53           HB2      SER  53   9.538  -0.531  -6.474
  403   2HB   SER  53           HB1      SER  53  10.994  -0.826  -5.527
  404    HG   SER  53           HG       SER  53  10.089  -2.667  -6.727
  405    H    VAL  54           HN       VAL  54   7.974   1.326  -5.439
  406    HA   VAL  54           HA       VAL  54   5.340   1.124  -4.620
  407    HB   VAL  54           HB       VAL  54   6.692   1.920  -7.183
  408   1HG1  VAL  54          HG12      VAL  54   3.704   1.748  -6.710
  409   2HG1  VAL  54          HG11      VAL  54   4.417   2.813  -7.922
  410   3HG1  VAL  54          HG13      VAL  54   4.623   1.066  -8.051
  411   1HG2  VAL  54          HG21      VAL  54   5.361   3.207  -4.834
  412   2HG2  VAL  54          HG23      VAL  54   6.877   3.628  -5.630
  413   3HG2  VAL  54          HG22      VAL  54   5.338   4.067  -6.374
  414    H    GLN  55           HN       GLN  55   6.932  -0.829  -7.137
  415    HA   GLN  55           HA       GLN  55   4.640  -2.176  -8.142
  416   1HB   GLN  55           HB2      GLN  55   6.983  -2.192  -9.044
  417   2HB   GLN  55           HB1      GLN  55   7.450  -3.238  -7.702
  418   1HG   GLN  55           HG2      GLN  55   5.233  -4.532  -8.691
  419   2HG   GLN  55           HG1      GLN  55   5.976  -3.897 -10.159
  420   1HE2  GLN  55          HE22      GLN  55   7.861  -6.840  -8.044
  421   2HE2  GLN  55          HE21      GLN  55   6.492  -6.069  -7.402
  422    H    LYS  56           HN       LYS  56   6.827  -3.044  -5.455
  423    HA   LYS  56           HA       LYS  56   5.373  -5.421  -4.699
  424   1HB   LYS  56           HB2      LYS  56   7.425  -3.624  -3.384
  425   2HB   LYS  56           HB1      LYS  56   6.818  -5.085  -2.603
  426   1HG   LYS  56           HG2      LYS  56   7.963  -5.117  -5.400
  427   2HG   LYS  56           HG1      LYS  56   8.969  -5.346  -3.970
  428   1HD   LYS  56           HD2      LYS  56   6.540  -6.987  -3.933
  429   2HD   LYS  56           HD1      LYS  56   7.599  -7.352  -5.296
  430   1HE   LYS  56           HE2      LYS  56   9.525  -7.443  -3.609
  431   2HE   LYS  56           HE1      LYS  56   8.278  -7.445  -2.345
  432   1HZ   LYS  56           HZ2      LYS  56   7.197  -9.257  -3.771
  433   2HZ   LYS  56           HZ1      LYS  56   8.725  -9.418  -4.497
  434   3HZ   LYS  56           HZ3      LYS  56   8.545  -9.688  -2.832
  435    H    LEU  57           HN       LEU  57   4.998  -2.003  -3.892
  436    HA   LEU  57           HA       LEU  57   3.423  -2.426  -1.492
  437   1HB   LEU  57           HB2      LEU  57   3.389  -0.128  -3.472
  438   2HB   LEU  57           HB1      LEU  57   2.912  -0.061  -1.781
  439    HG   LEU  57           HG       LEU  57   5.706  -0.602  -2.820
  440   1HD1  LEU  57          HD11      LEU  57   4.177   1.776  -2.188
  441   2HD1  LEU  57          HD13      LEU  57   5.592   1.647  -1.144
  442   3HD1  LEU  57          HD12      LEU  57   5.786   1.645  -2.896
  443   1HD2  LEU  57          HD23      LEU  57   4.439  -0.848  -0.126
  444   2HD2  LEU  57          HD22      LEU  57   5.839  -1.693  -0.786
  445   3HD2  LEU  57          HD21      LEU  57   6.009  -0.046  -0.182
  446    H    THR  58           HN       THR  58   2.507  -1.400  -4.798
  447    HA   THR  58           HA       THR  58  -0.294  -1.733  -4.546
  448    HB   THR  58           HB       THR  58   1.557  -2.132  -6.927
  449    HG1  THR  58           HG1      THR  58   0.973   0.008  -5.479
  450   1HG2  THR  58          HG22      THR  58  -0.733  -3.021  -7.280
  451   2HG2  THR  58          HG21      THR  58  -1.393  -1.447  -6.838
  452   3HG2  THR  58          HG23      THR  58  -0.405  -1.614  -8.291
  453    H    LYS  59           HN       LYS  59   2.297  -4.074  -5.123
  454    HA   LYS  59           HA       LYS  59   0.549  -6.244  -5.864
  455   1HB   LYS  59           HB2      LYS  59   2.966  -5.970  -6.483
  456   2HB   LYS  59           HB1      LYS  59   3.383  -6.248  -4.791
  457   1HG   LYS  59           HG2      LYS  59   3.605  -8.380  -5.758
  458   2HG   LYS  59           HG1      LYS  59   1.999  -8.427  -5.032
  459   1HD   LYS  59           HD2      LYS  59   1.602  -7.346  -7.593
  460   2HD   LYS  59           HD1      LYS  59   2.747  -8.667  -7.828
  461   1HE   LYS  59           HE2      LYS  59   0.223  -9.013  -6.183
  462   2HE   LYS  59           HE1      LYS  59   0.275  -9.332  -7.929
  463   1HZ   LYS  59           HZ1      LYS  59   2.421 -10.416  -6.254
  464   2HZ   LYS  59           HZ3      LYS  59   0.914 -11.192  -6.204
  465   3HZ   LYS  59           HZ2      LYS  59   1.742 -11.043  -7.680
  466    H    ALA  60           HN       ALA  60   1.830  -4.946  -2.880
  467    HA   ALA  60           HA       ALA  60   1.261  -7.203  -1.205
  468   1HB   ALA  60           HB2      ALA  60   2.612  -4.835  -0.996
  469   2HB   ALA  60           HB1      ALA  60   1.156  -4.472  -0.071
  470   3HB   ALA  60           HB3      ALA  60   2.178  -5.834   0.390
  471    H    THR  61           HN       THR  61  -0.447  -4.108  -1.765
  472    HA   THR  61           HA       THR  61  -2.789  -4.832  -0.243
  473    HB   THR  61           HB       THR  61  -2.016  -2.512  -0.895
  474    HG1  THR  61           HG1      THR  61  -4.533  -2.841  -2.046
  475   1HG2  THR  61          HG22      THR  61  -1.352  -3.087  -3.206
  476   2HG2  THR  61          HG21      THR  61  -3.043  -3.373  -3.615
  477   3HG2  THR  61          HG23      THR  61  -2.502  -1.750  -3.186
  478    H    ALA  62           HN       ALA  62  -1.652  -5.253  -3.472
  479    HA   ALA  62           HA       ALA  62  -4.119  -6.082  -4.709
  480   1HB   ALA  62           HB1      ALA  62  -1.181  -6.260  -5.253
  481   2HB   ALA  62           HB3      ALA  62  -2.268  -7.243  -6.230
  482   3HB   ALA  62           HB2      ALA  62  -2.442  -5.488  -6.213
  483    H    ASP  63           HN       ASP  63  -1.629  -7.696  -2.822
  484    HA   ASP  63           HA       ASP  63  -2.735 -10.382  -3.326
  485   1HB   ASP  63           HB2      ASP  63  -0.328 -10.078  -3.099
  486   2HB   ASP  63           HB1      ASP  63  -0.542  -9.258  -1.551
  487    H    ALA  64           HN       ALA  64  -3.302  -7.742  -1.244
  488    HA   ALA  64           HA       ALA  64  -4.217  -9.244   1.085
  489   1HB   ALA  64           HB2      ALA  64  -3.463  -6.657   0.504
  490   2HB   ALA  64           HB1      ALA  64  -5.219  -6.509   0.571
  491   3HB   ALA  64           HB3      ALA  64  -4.333  -7.129   1.964
  492    H    GLY  65           HN       GLY  65  -5.556  -7.904  -1.880
  493   1HA   GLY  65           HA2      GLY  65  -7.553  -9.441  -2.582
  494   2HA   GLY  65           HA1      GLY  65  -8.264  -8.846  -1.086
  495    H    TYR  66           HN       TYR  66  -6.290  -6.811  -3.213
  496    HA   TYR  66           HA       TYR  66  -8.742  -5.531  -4.304
  497   1HB   TYR  66           HB2      TYR  66  -6.669  -4.033  -2.692
  498   2HB   TYR  66           HB1      TYR  66  -8.173  -3.388  -3.338
  499    HD1  TYR  66           HD1      TYR  66 -10.344  -4.636  -2.574
  500    HD2  TYR  66           HD2      TYR  66  -6.579  -4.748  -0.538
  501    HE1  TYR  66           HE1      TYR  66 -11.509  -5.199  -0.466
  502    HE2  TYR  66           HE2      TYR  66  -7.730  -5.303   1.564
  503    HH   TYR  66           HH       TYR  66 -10.726  -6.492   1.778
  504    HA   PRO  67           HA       PRO  67  -5.570  -5.299  -7.563
  505   1HB   PRO  67           HB2      PRO  67  -7.576  -4.157  -9.264
  506   2HB   PRO  67           HB1      PRO  67  -6.968  -5.815  -9.295
  507   1HG   PRO  67           HG2      PRO  67  -9.545  -4.873  -8.394
  508   2HG   PRO  67           HG1      PRO  67  -8.971  -6.538  -8.524
  509   1HD   PRO  67           HD2      PRO  67  -9.406  -5.025  -6.122
  510   2HD   PRO  67           HD1      PRO  67  -8.737  -6.670  -6.258
  511    H    SER  68           HN       SER  68  -4.456  -3.515  -6.505
  512    HA   SER  68           HA       SER  68  -5.729  -0.832  -6.798
  513   1HB   SER  68           HB2      SER  68  -4.999  -0.565  -4.682
  514   2HB   SER  68           HB1      SER  68  -4.459  -2.238  -4.715
  515    HG   SER  68           HG       SER  68  -2.453  -1.586  -5.261
  516    H    SER  69           HN       SER  69  -3.553   0.767  -6.508
  517    HA   SER  69           HA       SER  69  -1.530   0.175  -8.578
  518   1HB   SER  69           HB2      SER  69  -3.520   2.465  -8.716
  519   2HB   SER  69           HB1      SER  69  -2.181   2.213  -9.831
  520    HG   SER  69           HG       SER  69  -3.409   0.864 -10.861
  521    H    VAL  70           HN       VAL  70  -0.640   2.880  -8.740
  522    HA   VAL  70           HA       VAL  70  -0.168   3.591  -5.898
  523    HB   VAL  70           HB       VAL  70   1.472   2.008  -7.094
  524   1HG1  VAL  70          HG11      VAL  70   1.428   3.914  -9.037
  525   2HG1  VAL  70          HG13      VAL  70   2.861   4.411  -8.136
  526   3HG1  VAL  70          HG12      VAL  70   2.764   2.784  -8.812
  527   1HG2  VAL  70          HG22      VAL  70   1.899   4.259  -5.296
  528   2HG2  VAL  70          HG21      VAL  70   2.601   2.643  -5.240
  529   3HG2  VAL  70          HG23      VAL  70   3.357   3.898  -6.220
  530    H    LYS  71           HN       LYS  71   0.427   5.819  -5.577
  531    HA   LYS  71           HA       LYS  71  -0.005   7.515  -8.014
  532   1HB   LYS  71           HB2      LYS  71  -1.792   7.256  -6.067
  533   2HB   LYS  71           HB1      LYS  71  -0.770   8.487  -5.310
  534   1HG   LYS  71           HG2      LYS  71  -1.449  10.066  -6.743
  535   2HG   LYS  71           HG1      LYS  71  -1.176   9.008  -8.129
  536   1HD   LYS  71           HD2      LYS  71  -3.335   8.203  -8.129
  537   2HD   LYS  71           HD1      LYS  71  -3.527   8.414  -6.389
  538   1HE   LYS  71           HE2      LYS  71  -4.901  10.127  -7.267
  539   2HE   LYS  71           HE1      LYS  71  -3.377  10.985  -6.963
  540   1HZ   LYS  71           HZ3      LYS  71  -3.494   9.573  -9.485
  541   2HZ   LYS  71           HZ2      LYS  71  -4.582  10.873  -9.364
  542   3HZ   LYS  71           HZ1      LYS  71  -2.918  11.131  -9.143
  543    H    GLN  72           HN       GLN  72   2.467   6.821  -7.351
  544    HA   GLN  72           HA       GLN  72   3.975   8.362  -5.523
  545   1HB   GLN  72           HB2      GLN  72   5.835   7.734  -6.926
  546   2HB   GLN  72           HB1      GLN  72   4.662   6.419  -7.024
  547   1HG   GLN  72           HG2      GLN  72   5.053   6.726  -9.276
  548   2HG   GLN  72           HG1      GLN  72   3.743   7.886  -9.055
  549   1HE2  GLN  72          HE22      GLN  72   6.107  10.066 -10.661
  550   2HE2  GLN  72          HE21      GLN  72   4.799   9.028 -10.969
   
  No H/Q in entry =         550
  Start of MODEL   13
    1   1H    ALA   1           HT2      ALA   1  17.170   1.407  -0.222
    2   2H    ALA   1           HT1      ALA   1  18.381   2.375  -0.917
    3   3H    ALA   1           HT3      ALA   1  18.164   2.369   0.765
    4    HA   ALA   1           HA       ALA   1  17.198   4.380  -0.087
    5   1HB   ALA   1           HB1      ALA   1  16.779   2.644  -2.267
    6   2HB   ALA   1           HB3      ALA   1  15.165   3.112  -1.729
    7   3HB   ALA   1           HB2      ALA   1  16.338   4.350  -2.179
    8    H    THR   2           HN       THR   2  15.153   5.167   0.759
    9    HA   THR   2           HA       THR   2  13.256   3.277   1.942
   10    HB   THR   2           HB       THR   2  13.817   5.096   3.968
   11    HG1  THR   2           HG1      THR   2  16.264   4.051   3.030
   12   1HG2  THR   2          HG21      THR   2  14.133   2.242   3.433
   13   2HG2  THR   2          HG23      THR   2  15.290   2.848   4.619
   14   3HG2  THR   2          HG22      THR   2  13.559   3.053   4.891
   15    H    GLN   3           HN       GLN   3  11.810   4.313   0.444
   16    HA   GLN   3           HA       GLN   3  11.253   7.209   1.043
   17   1HB   GLN   3           HB2      GLN   3  11.157   5.628  -1.539
   18   2HB   GLN   3           HB1      GLN   3  10.561   7.281  -1.387
   19   1HG   GLN   3           HG2      GLN   3  13.245   6.956  -0.271
   20   2HG   GLN   3           HG1      GLN   3  13.175   6.552  -1.986
   21   1HE2  GLN   3          HE22      GLN   3  12.967   9.922  -2.968
   22   2HE2  GLN   3          HE21      GLN   3  13.277   8.310  -3.401
   23    H    THR   4           HN       THR   4   8.977   7.849   0.328
   24    HA   THR   4           HA       THR   4   7.038   5.745   1.208
   25    HB   THR   4           HB       THR   4   6.832   8.773   1.219
   26    HG1  THR   4           HG1      THR   4   7.267   8.521   3.447
   27   1HG2  THR   4          HG23      THR   4   4.993   6.583   1.821
   28   2HG2  THR   4          HG22      THR   4   5.175   7.704   3.169
   29   3HG2  THR   4          HG21      THR   4   4.656   8.299   1.592
   30    H    VAL   5           HN       VAL   5   4.983   5.662   0.076
   31    HA   VAL   5           HA       VAL   5   4.687   7.165  -2.473
   32    HB   VAL   5           HB       VAL   5   4.504   4.173  -2.553
   33   1HG1  VAL   5          HG11      VAL   5   3.947   6.019  -4.386
   34   2HG1  VAL   5          HG13      VAL   5   5.681   5.906  -4.679
   35   3HG1  VAL   5          HG12      VAL   5   4.667   4.473  -4.835
   36   1HG2  VAL   5          HG22      VAL   5   7.081   5.766  -2.772
   37   2HG2  VAL   5          HG21      VAL   5   6.714   4.541  -1.558
   38   3HG2  VAL   5          HG23      VAL   5   6.904   4.077  -3.249
   39    H    THR   6           HN       THR   6   2.512   6.783  -3.353
   40    HA   THR   6           HA       THR   6   0.591   5.993  -1.218
   41    HB   THR   6           HB       THR   6  -0.845   7.364  -3.036
   42    HG1  THR   6           HG1      THR   6   0.547   9.004  -3.871
   43   1HG2  THR   6          HG21      THR   6   0.351   7.895  -0.559
   44   2HG2  THR   6          HG23      THR   6   0.760   9.277  -1.575
   45   3HG2  THR   6          HG22      THR   6  -0.929   8.831  -1.333
   46    H    LEU   7           HN       LEU   7  -1.341   4.775  -2.067
   47    HA   LEU   7           HA       LEU   7  -0.706   3.318  -4.595
   48   1HB   LEU   7           HB2      LEU   7  -0.798   2.421  -1.836
   49   2HB   LEU   7           HB1      LEU   7  -1.974   1.540  -2.814
   50    HG   LEU   7           HG       LEU   7  -0.298   0.842  -4.361
   51   1HD1  LEU   7          HD12      LEU   7   1.384   2.921  -3.005
   52   2HD1  LEU   7          HD11      LEU   7   2.134   1.596  -3.894
   53   3HD1  LEU   7          HD13      LEU   7   1.052   2.711  -4.720
   54   1HD2  LEU   7          HD21      LEU   7   0.814   0.688  -1.540
   55   2HD2  LEU   7          HD23      LEU   7  -0.276  -0.476  -2.293
   56   3HD2  LEU   7          HD22      LEU   7   1.376  -0.301  -2.887
   57    H    ALA   8           HN       ALA   8  -2.582   2.483  -5.667
   58    HA   ALA   8           HA       ALA   8  -5.095   3.940  -4.913
   59   1HB   ALA   8           HB3      ALA   8  -4.006   2.890  -7.545
   60   2HB   ALA   8           HB2      ALA   8  -5.585   3.655  -7.366
   61   3HB   ALA   8           HB1      ALA   8  -4.118   4.580  -7.049
   62    H    VAL   9           HN       VAL   9  -6.217   2.421  -3.654
   63    HA   VAL   9           HA       VAL   9  -6.654  -0.272  -4.904
   64    HB   VAL   9           HB       VAL   9  -5.456  -0.521  -2.854
   65   1HG1  VAL   9          HG13      VAL   9  -7.080   1.823  -2.062
   66   2HG1  VAL   9          HG12      VAL   9  -6.784   0.650  -0.779
   67   3HG1  VAL   9          HG11      VAL   9  -5.427   1.398  -1.620
   68   1HG2  VAL   9          HG23      VAL   9  -8.257  -1.259  -2.962
   69   2HG2  VAL   9          HG22      VAL   9  -6.899  -2.155  -2.287
   70   3HG2  VAL   9          HG21      VAL   9  -7.755  -0.978  -1.298
   71    HA   PRO  10           HA       PRO  10 -10.769   1.704  -5.003
   72   1HB   PRO  10           HB2      PRO  10 -11.563  -0.009  -7.085
   73   2HB   PRO  10           HB1      PRO  10 -10.901   1.619  -7.271
   74   1HG   PRO  10           HG2      PRO  10  -9.659  -0.925  -7.928
   75   2HG   PRO  10           HG1      PRO  10  -9.088   0.708  -8.286
   76   1HD   PRO  10           HD2      PRO  10  -8.106  -1.124  -6.269
   77   2HD   PRO  10           HD1      PRO  10  -7.499   0.505  -6.662
   78    H    GLY  11           HN       GLY  11 -10.032  -0.544  -3.147
   79   1HA   GLY  11           HA2      GLY  11 -12.013  -2.637  -3.513
   80   2HA   GLY  11           HA1      GLY  11 -11.018  -2.386  -2.079
   81    H    MET  12           HN       MET  12 -11.683   0.172  -1.345
   82    HA   MET  12           HA       MET  12 -13.279   1.128   0.138
   83   1HB   MET  12           HB2      MET  12 -15.197   1.930  -1.190
   84   2HB   MET  12           HB1      MET  12 -13.714   2.037  -2.137
   85   1HG   MET  12           HG2      MET  12 -14.264   0.095  -3.406
   86   2HG   MET  12           HG1      MET  12 -15.550  -0.360  -2.290
   87   1HE   MET  12           HE3      MET  12 -14.071   1.956  -4.643
   88   2HE   MET  12           HE2      MET  12 -15.144   1.270  -5.861
   89   3HE   MET  12           HE1      MET  12 -15.345   2.949  -5.364
   90    H    THR  13           HN       THR  13 -13.128  -1.418   0.905
   91    HA   THR  13           HA       THR  13 -15.761  -2.746   0.747
   92    HB   THR  13           HB       THR  13 -14.247  -4.102   2.605
   93    HG1  THR  13           HG1      THR  13 -12.393  -3.282   0.671
   94   1HG2  THR  13          HG23      THR  13 -15.339  -4.718   0.289
   95   2HG2  THR  13          HG22      THR  13 -13.694  -4.506  -0.312
   96   3HG2  THR  13          HG21      THR  13 -14.029  -5.705   0.938
   97    H    CYS  14           HN       CYS  14 -15.072  -0.064   2.212
   98    HA   CYS  14           HA       CYS  14 -15.982   1.038   4.085
   99   1HB   CYS  14           HB2      CYS  14 -17.874  -0.567   3.353
  100   2HB   CYS  14           HB1      CYS  14 -17.350  -1.589   4.691
  101    HG   CYS  14           HG       CYS  14 -17.688   1.080   5.875
  102    H    ALA  15           HN       ALA  15 -13.882   1.085   5.118
  103    HA   ALA  15           HA       ALA  15 -12.489   0.723   6.994
  104   1HB   ALA  15           HB1      ALA  15 -14.927   0.547   7.924
  105   2HB   ALA  15           HB3      ALA  15 -14.595  -1.184   7.992
  106   3HB   ALA  15           HB2      ALA  15 -13.600  -0.058   8.915
  107    H    ALA  16           HN       ALA  16 -12.819  -1.293   4.589
  108    HA   ALA  16           HA       ALA  16 -11.301  -3.523   5.918
  109   1HB   ALA  16           HB3      ALA  16 -13.736  -3.511   4.443
  110   2HB   ALA  16           HB2      ALA  16 -12.522  -4.286   3.424
  111   3HB   ALA  16           HB1      ALA  16 -12.849  -4.914   5.039
  112    H    CYS  17           HN       CYS  17 -11.838  -1.818   2.829
  113    HA   CYS  17           HA       CYS  17  -9.589  -2.750   1.403
  114   1HB   CYS  17           HB2      CYS  17 -11.120  -1.569   0.147
  115   2HB   CYS  17           HB1      CYS  17 -11.393  -0.370   1.402
  116    HG   CYS  17           HG       CYS  17  -9.398   0.967   0.589
  117    HA   PRO  18           HA       PRO  18  -7.078   0.929   3.227
  118   1HB   PRO  18           HB2      PRO  18  -8.128   1.995   5.575
  119   2HB   PRO  18           HB1      PRO  18  -8.336   2.672   3.956
  120   1HG   PRO  18           HG2      PRO  18 -10.299   1.301   5.653
  121   2HG   PRO  18           HG1      PRO  18 -10.567   2.314   4.234
  122   1HD   PRO  18           HD2      PRO  18 -10.730  -0.537   4.380
  123   2HD   PRO  18           HD1      PRO  18 -10.863   0.472   2.921
  124    H    ILE  19           HN       ILE  19  -8.531  -1.501   5.282
  125    HA   ILE  19           HA       ILE  19  -6.333  -1.345   7.273
  126    HB   ILE  19           HB       ILE  19  -8.870  -2.951   6.916
  127   1HG1  ILE  19          HG12      ILE  19  -7.859  -0.869   8.870
  128   2HG1  ILE  19          HG11      ILE  19  -9.269  -0.769   7.814
  129   1HG2  ILE  19          HG21      ILE  19  -6.762  -3.266   9.078
  130   2HG2  ILE  19          HG23      ILE  19  -8.340  -4.054   9.066
  131   3HG2  ILE  19          HG22      ILE  19  -7.144  -4.455   7.833
  132   1HD1  ILE  19          HD13      ILE  19  -9.737  -3.068   9.308
  133   2HD1  ILE  19          HD12      ILE  19  -9.028  -1.952  10.475
  134   3HD1  ILE  19          HD11      ILE  19 -10.477  -1.490   9.583
  135    H    THR  20           HN       THR  20  -7.451  -3.279   4.601
  136    HA   THR  20           HA       THR  20  -5.510  -5.433   5.016
  137    HB   THR  20           HB       THR  20  -7.751  -4.681   3.190
  138    HG1  THR  20           HG1      THR  20  -7.167  -7.263   4.054
  139   1HG2  THR  20          HG21      THR  20  -5.462  -6.477   2.443
  140   2HG2  THR  20          HG23      THR  20  -7.082  -6.767   1.809
  141   3HG2  THR  20          HG22      THR  20  -6.263  -5.242   1.472
  142    H    VAL  21           HN       VAL  21  -6.059  -2.818   2.634
  143    HA   VAL  21           HA       VAL  21  -3.765  -3.282   1.051
  144    HB   VAL  21           HB       VAL  21  -5.266  -0.754   1.799
  145   1HG1  VAL  21          HG11      VAL  21  -2.979  -0.247   0.973
  146   2HG1  VAL  21          HG13      VAL  21  -3.299  -1.215  -0.466
  147   3HG1  VAL  21          HG12      VAL  21  -4.215   0.264  -0.177
  148   1HG2  VAL  21          HG23      VAL  21  -6.021  -2.970   0.287
  149   2HG2  VAL  21          HG22      VAL  21  -6.765  -1.373   0.223
  150   3HG2  VAL  21          HG21      VAL  21  -5.494  -1.799  -0.923
  151    H    LYS  22           HN       LYS  22  -4.201  -1.147   3.877
  152    HA   LYS  22           HA       LYS  22  -1.533  -0.178   4.052
  153   1HB   LYS  22           HB2      LYS  22  -3.382   0.738   5.331
  154   2HB   LYS  22           HB1      LYS  22  -3.654  -0.811   6.130
  155   1HG   LYS  22           HG2      LYS  22  -1.127  -0.516   6.862
  156   2HG   LYS  22           HG1      LYS  22  -1.464   1.190   6.567
  157   1HD   LYS  22           HD2      LYS  22  -3.402   1.075   8.091
  158   2HD   LYS  22           HD1      LYS  22  -3.066  -0.630   8.392
  159   1HE   LYS  22           HE2      LYS  22  -0.615   0.541   8.906
  160   2HE   LYS  22           HE1      LYS  22  -1.760   1.746   9.528
  161   1HZ   LYS  22           HZ3      LYS  22  -2.151  -1.135  10.047
  162   2HZ   LYS  22           HZ2      LYS  22  -1.143  -0.205  11.049
  163   3HZ   LYS  22           HZ1      LYS  22  -2.788   0.190  10.892
  164    H    LYS  23           HN       LYS  23  -3.045  -3.068   5.525
  165    HA   LYS  23           HA       LYS  23  -0.560  -3.987   6.729
  166   1HB   LYS  23           HB2      LYS  23  -3.374  -4.912   6.365
  167   2HB   LYS  23           HB1      LYS  23  -2.167  -6.127   6.786
  168   1HG   LYS  23           HG2      LYS  23  -1.909  -3.676   8.369
  169   2HG   LYS  23           HG1      LYS  23  -3.469  -4.471   8.585
  170   1HD   LYS  23           HD2      LYS  23  -1.555  -6.542   8.575
  171   2HD   LYS  23           HD1      LYS  23  -0.876  -5.267   9.588
  172   1HE   LYS  23           HE2      LYS  23  -3.684  -5.535  10.186
  173   2HE   LYS  23           HE1      LYS  23  -2.897  -7.122  10.312
  174   1HZ   LYS  23           HZ3      LYS  23  -1.025  -5.691  11.418
  175   2HZ   LYS  23           HZ2      LYS  23  -2.312  -4.638  11.764
  176   3HZ   LYS  23           HZ1      LYS  23  -2.343  -6.239  12.334
  177    H    ALA  24           HN       ALA  24  -1.555  -3.922   3.522
  178    HA   ALA  24           HA       ALA  24  -0.544  -6.544   2.749
  179   1HB   ALA  24           HB3      ALA  24  -2.187  -4.447   1.692
  180   2HB   ALA  24           HB2      ALA  24  -0.884  -4.767   0.547
  181   3HB   ALA  24           HB1      ALA  24  -1.955  -6.073   1.051
  182    H    LEU  25           HN       LEU  25   0.335  -3.174   2.090
  183    HA   LEU  25           HA       LEU  25   2.982  -3.998   1.131
  184   1HB   LEU  25           HB2      LEU  25   3.170  -1.279   1.449
  185   2HB   LEU  25           HB1      LEU  25   2.612  -2.065  -0.010
  186    HG   LEU  25           HG       LEU  25   1.168  -0.205   0.772
  187   1HD1  LEU  25          HD11      LEU  25   0.118  -2.949   0.355
  188   2HD1  LEU  25          HD13      LEU  25  -0.995  -1.642   0.741
  189   3HD1  LEU  25          HD12      LEU  25   0.030  -1.534  -0.678
  190   1HD2  LEU  25          HD22      LEU  25   1.008  -1.903   3.189
  191   2HD2  LEU  25          HD21      LEU  25   1.091  -0.155   3.041
  192   3HD2  LEU  25          HD23      LEU  25  -0.417  -0.990   2.714
  193    H    SER  26           HN       SER  26   1.484  -3.365   4.096
  194    HA   SER  26           HA       SER  26   3.847  -2.374   5.528
  195   1HB   SER  26           HB2      SER  26   1.621  -1.833   6.319
  196   2HB   SER  26           HB1      SER  26   1.149  -3.526   6.302
  197    HG   SER  26           HG       SER  26   1.698  -2.833   8.404
  198    H    LYS  27           HN       LYS  27   2.226  -5.493   4.951
  199    HA   LYS  27           HA       LYS  27   4.383  -6.829   6.509
  200   1HB   LYS  27           HB2      LYS  27   2.747  -8.280   7.141
  201   2HB   LYS  27           HB1      LYS  27   1.631  -7.088   6.487
  202   1HG   LYS  27           HG2      LYS  27   2.823  -9.370   4.881
  203   2HG   LYS  27           HG1      LYS  27   1.221  -9.400   5.618
  204   1HD   LYS  27           HD2      LYS  27   0.352  -7.870   4.128
  205   2HD   LYS  27           HD1      LYS  27   1.905  -7.068   3.884
  206   1HE   LYS  27           HE2      LYS  27   1.122  -8.403   1.883
  207   2HE   LYS  27           HE1      LYS  27   2.695  -8.933   2.511
  208   1HZ   LYS  27           HZ2      LYS  27   0.228 -10.079   3.629
  209   2HZ   LYS  27           HZ1      LYS  27   0.811 -10.672   2.147
  210   3HZ   LYS  27           HZ3      LYS  27   1.781 -10.761   3.536
  211    H    VAL  28           HN       VAL  28   3.877  -5.864   3.411
  212    HA   VAL  28           HA       VAL  28   4.256  -8.101   1.751
  213    HB   VAL  28           HB       VAL  28   3.782  -5.883   0.912
  214   1HG1  VAL  28          HG11      VAL  28   5.403  -4.924   2.817
  215   2HG1  VAL  28          HG13      VAL  28   6.537  -4.888   1.467
  216   3HG1  VAL  28          HG12      VAL  28   5.018  -3.997   1.367
  217   1HG2  VAL  28          HG23      VAL  28   5.879  -7.538  -0.072
  218   2HG2  VAL  28          HG22      VAL  28   4.853  -6.432  -0.985
  219   3HG2  VAL  28          HG21      VAL  28   6.379  -5.863  -0.309
  220    H    GLU  29           HN       GLU  29   6.880  -6.046   3.162
  221    HA   GLU  29           HA       GLU  29   8.588  -8.151   3.904
  222   1HB   GLU  29           HB2      GLU  29   8.331  -7.720   1.031
  223   2HB   GLU  29           HB1      GLU  29  10.009  -7.603   1.565
  224   1HG   GLU  29           HG2      GLU  29   8.980  -9.783   2.978
  225   2HG   GLU  29           HG1      GLU  29   8.311  -9.954   1.355
  226    H    GLY  30           HN       GLY  30   9.835  -5.752   1.644
  227   1HA   GLY  30           HA2      GLY  30  11.710  -4.732   3.560
  228   2HA   GLY  30           HA1      GLY  30  11.387  -4.029   1.980
  229    H    VAL  31           HN       VAL  31   8.428  -3.810   2.845
  230    HA   VAL  31           HA       VAL  31   8.198  -1.125   3.421
  231    HB   VAL  31           HB       VAL  31   6.366  -2.713   3.050
  232   1HG1  VAL  31          HG12      VAL  31   7.505  -4.327   4.811
  233   2HG1  VAL  31          HG11      VAL  31   6.466  -3.470   5.950
  234   3HG1  VAL  31          HG13      VAL  31   5.755  -4.344   4.593
  235   1HG2  VAL  31          HG23      VAL  31   6.368  -0.458   4.656
  236   2HG2  VAL  31          HG22      VAL  31   4.922  -1.273   4.065
  237   3HG2  VAL  31          HG21      VAL  31   5.554  -1.651   5.668
  238    H    SER  32           HN       SER  32   8.269   0.191   5.108
  239    HA   SER  32           HA       SER  32   9.275  -0.891   7.717
  240   1HB   SER  32           HB2      SER  32  10.269   1.238   5.885
  241   2HB   SER  32           HB1      SER  32  10.411   1.545   7.613
  242    HG   SER  32           HG       SER  32  11.188  -0.933   6.528
  243    H    LYS  33           HN       LYS  33   6.902   0.916   6.104
  244    HA   LYS  33           HA       LYS  33   5.672   1.676   8.662
  245   1HB   LYS  33           HB2      LYS  33   6.879   3.611   8.733
  246   2HB   LYS  33           HB1      LYS  33   7.285   3.536   7.024
  247   1HG   LYS  33           HG2      LYS  33   4.975   4.313   6.477
  248   2HG   LYS  33           HG1      LYS  33   4.646   4.462   8.204
  249   1HD   LYS  33           HD2      LYS  33   7.042   5.832   7.882
  250   2HD   LYS  33           HD1      LYS  33   6.126   6.260   6.436
  251   1HE   LYS  33           HE2      LYS  33   4.272   6.370   8.570
  252   2HE   LYS  33           HE1      LYS  33   5.737   7.194   9.143
  253   1HZ   LYS  33           HZ2      LYS  33   5.804   8.302   6.913
  254   2HZ   LYS  33           HZ1      LYS  33   4.240   7.702   6.633
  255   3HZ   LYS  33           HZ3      LYS  33   4.515   8.785   7.908
  256    H    VAL  34           HN       VAL  34   3.480   2.728   8.248
  257    HA   VAL  34           HA       VAL  34   2.439   2.537   5.498
  258    HB   VAL  34           HB       VAL  34   0.809   0.880   7.213
  259   1HG1  VAL  34          HG12      VAL  34   1.670   1.043   4.537
  260   2HG1  VAL  34          HG11      VAL  34   2.199  -0.536   5.117
  261   3HG1  VAL  34          HG13      VAL  34   0.496  -0.085   5.212
  262   1HG2  VAL  34          HG22      VAL  34   3.129   0.519   8.288
  263   2HG2  VAL  34          HG21      VAL  34   2.260  -0.913   7.761
  264   3HG2  VAL  34          HG23      VAL  34   3.570  -0.271   6.774
  265    H    ASP  35           HN       ASP  35   0.264   3.368   5.327
  266    HA   ASP  35           HA       ASP  35  -1.115   4.342   7.743
  267   1HB   ASP  35           HB2      ASP  35   0.698   5.952   6.165
  268   2HB   ASP  35           HB1      ASP  35  -0.938   6.599   6.036
  269    H    VAL  36           HN       VAL  36  -3.320   5.179   7.099
  270    HA   VAL  36           HA       VAL  36  -4.149   3.945   4.499
  271    HB   VAL  36           HB       VAL  36  -6.439   4.040   5.714
  272   1HG1  VAL  36          HG11      VAL  36  -4.923   2.020   5.364
  273   2HG1  VAL  36          HG13      VAL  36  -4.309   2.311   6.991
  274   3HG1  VAL  36          HG12      VAL  36  -6.012   1.924   6.748
  275   1HG2  VAL  36          HG21      VAL  36  -5.207   5.610   7.489
  276   2HG2  VAL  36          HG23      VAL  36  -6.507   4.520   7.972
  277   3HG2  VAL  36          HG22      VAL  36  -4.825   4.055   8.228
  278    H    GLY  37           HN       GLY  37  -4.988   5.225   2.936
  279   1HA   GLY  37           HA2      GLY  37  -5.784   8.016   3.662
  280   2HA   GLY  37           HA1      GLY  37  -4.953   7.627   2.155
  281    H    PHE  38           HN       PHE  38  -7.787   6.359   3.928
  282    HA   PHE  38           HA       PHE  38  -9.201   5.404   1.667
  283   1HB   PHE  38           HB2      PHE  38  -9.465   5.411   4.377
  284   2HB   PHE  38           HB1      PHE  38 -10.736   6.547   3.930
  285    HD1  PHE  38           HD2      PHE  38  -9.533   3.646   1.908
  286    HD2  PHE  38           HD1      PHE  38 -12.679   5.250   4.356
  287    HE1  PHE  38           HE2      PHE  38 -11.001   1.761   1.256
  288    HE2  PHE  38           HE1      PHE  38 -14.142   3.359   3.705
  289    HZ   PHE  38           HZ       PHE  38 -13.311   1.616   2.160
  290    H    GLU  39           HN       GLU  39  -8.684   8.665   2.720
  291    HA   GLU  39           HA       GLU  39 -10.981  10.030   1.879
  292   1HB   GLU  39           HB2      GLU  39  -8.185  10.541   2.377
  293   2HB   GLU  39           HB1      GLU  39  -8.711  11.477   0.977
  294   1HG   GLU  39           HG2      GLU  39  -9.191  12.863   2.851
  295   2HG   GLU  39           HG1      GLU  39 -10.742  12.156   2.398
  296    H    LYS  40           HN       LYS  40  -8.649   8.291  -0.029
  297    HA   LYS  40           HA       LYS  40 -10.240   8.841  -2.474
  298   1HB   LYS  40           HB2      LYS  40  -8.143  10.416  -1.974
  299   2HB   LYS  40           HB1      LYS  40  -7.258   9.046  -2.647
  300   1HG   LYS  40           HG2      LYS  40  -7.713  10.054  -4.640
  301   2HG   LYS  40           HG1      LYS  40  -9.282   9.269  -4.454
  302   1HD   LYS  40           HD2      LYS  40  -9.344  11.685  -2.940
  303   2HD   LYS  40           HD1      LYS  40  -8.704  12.073  -4.536
  304   1HE   LYS  40           HE2      LYS  40 -10.766  10.391  -5.200
  305   2HE   LYS  40           HE1      LYS  40 -11.427  11.217  -3.775
  306   1HZ   LYS  40           HZ1      LYS  40 -10.037  12.645  -5.971
  307   2HZ   LYS  40           HZ3      LYS  40 -11.719  12.433  -5.938
  308   3HZ   LYS  40           HZ2      LYS  40 -10.953  13.320  -4.709
  309    H    ARG  41           HN       ARG  41 -10.071   6.464  -0.919
  310    HA   ARG  41           HA       ARG  41  -9.443   4.174  -1.049
  311   1HB   ARG  41           HB2      ARG  41  -9.430   4.733  -4.013
  312   2HB   ARG  41           HB1      ARG  41 -10.034   3.307  -3.172
  313   1HG   ARG  41           HG2      ARG  41 -11.247   6.079  -3.085
  314   2HG   ARG  41           HG1      ARG  41 -11.902   4.682  -3.938
  315   1HD   ARG  41           HD2      ARG  41 -12.679   3.697  -2.002
  316   2HD   ARG  41           HD1      ARG  41 -11.340   4.329  -1.025
  317    HE   ARG  41           HE       ARG  41 -12.773   6.588  -1.856
  318   1HH1  ARG  41          HH21      ARG  41 -13.395   3.664  -0.126
  319   2HH1  ARG  41          HH22      ARG  41 -14.657   4.351   0.840
  320   1HH2  ARG  41          HH11      ARG  41 -14.420   7.497  -0.599
  321   2HH2  ARG  41          HH12      ARG  41 -15.237   6.518   0.573
  322    H    GLU  42           HN       GLU  42  -7.139   5.401  -0.426
  323    HA   GLU  42           HA       GLU  42  -5.177   4.048  -2.199
  324   1HB   GLU  42           HB2      GLU  42  -3.859   6.190  -2.287
  325   2HB   GLU  42           HB1      GLU  42  -5.414   6.291  -3.114
  326   1HG   GLU  42           HG2      GLU  42  -6.353   7.644  -1.482
  327   2HG   GLU  42           HG1      GLU  42  -5.292   7.028  -0.214
  328    H    ALA  43           HN       ALA  43  -3.158   3.611  -1.126
  329    HA   ALA  43           HA       ALA  43  -3.242   4.084   1.844
  330   1HB   ALA  43           HB3      ALA  43  -2.136   1.815   0.156
  331   2HB   ALA  43           HB2      ALA  43  -1.946   1.928   1.906
  332   3HB   ALA  43           HB1      ALA  43  -3.553   1.750   1.203
  333    H    VAL  44           HN       VAL  44  -1.320   4.904   2.794
  334    HA   VAL  44           HA       VAL  44   0.814   5.673   0.835
  335    HB   VAL  44           HB       VAL  44  -0.572   7.395   2.145
  336   1HG1  VAL  44          HG12      VAL  44  -0.235   5.888   4.283
  337   2HG1  VAL  44          HG11      VAL  44   1.268   6.798   4.433
  338   3HG1  VAL  44          HG13      VAL  44  -0.278   7.645   4.437
  339   1HG2  VAL  44          HG23      VAL  44   2.431   7.239   2.125
  340   2HG2  VAL  44          HG22      VAL  44   1.366   8.260   1.158
  341   3HG2  VAL  44          HG21      VAL  44   1.627   8.624   2.864
  342    H    VAL  45           HN       VAL  45   2.413   4.174   0.938
  343    HA   VAL  45           HA       VAL  45   3.114   3.056   3.626
  344    HB   VAL  45           HB       VAL  45   2.146   1.683   1.662
  345   1HG1  VAL  45          HG13      VAL  45   4.027   2.857   0.172
  346   2HG1  VAL  45          HG12      VAL  45   4.959   1.461   0.711
  347   3HG1  VAL  45          HG11      VAL  45   3.453   1.225  -0.177
  348   1HG2  VAL  45          HG21      VAL  45   4.086   1.118   3.679
  349   2HG2  VAL  45          HG23      VAL  45   2.922   0.008   2.959
  350   3HG2  VAL  45          HG22      VAL  45   4.521   0.194   2.242
  351    H    THR  46           HN       THR  46   5.224   3.007   4.261
  352    HA   THR  46           HA       THR  46   7.233   4.429   2.552
  353    HB   THR  46           HB       THR  46   6.641   4.207   5.490
  354    HG1  THR  46           HG1      THR  46   6.037   6.028   4.214
  355   1HG2  THR  46          HG21      THR  46   9.332   4.209   4.268
  356   2HG2  THR  46          HG23      THR  46   9.081   5.425   5.521
  357   3HG2  THR  46          HG22      THR  46   8.830   3.718   5.886
  358    H    PHE  47           HN       PHE  47   9.327   3.311   2.370
  359    HA   PHE  47           HA       PHE  47   9.709   0.784   3.727
  360   1HB   PHE  47           HB2      PHE  47   9.253  -0.678   1.859
  361   2HB   PHE  47           HB1      PHE  47   7.841   0.353   2.093
  362    HD1  PHE  47           HD2      PHE  47  10.971  -0.038   0.054
  363    HD2  PHE  47           HD1      PHE  47   7.116   1.849   0.423
  364    HE1  PHE  47           HE2      PHE  47  11.166   0.813  -2.255
  365    HE2  PHE  47           HE1      PHE  47   7.314   2.691  -1.900
  366    HZ   PHE  47           HZ       PHE  47   9.329   2.173  -3.238
  367    H    ASP  48           HN       ASP  48  11.453  -0.512   2.684
  368    HA   ASP  48           HA       ASP  48  13.525   1.337   1.600
  369   1HB   ASP  48           HB2      ASP  48  15.025  -0.619   2.432
  370   2HB   ASP  48           HB1      ASP  48  14.255   0.384   3.660
  371    H    ASP  49           HN       ASP  49  13.806   1.081  -0.565
  372    HA   ASP  49           HA       ASP  49  12.545  -0.926  -2.105
  373   1HB   ASP  49           HB2      ASP  49  13.714   0.065  -3.912
  374   2HB   ASP  49           HB1      ASP  49  13.553   1.361  -2.727
  375    H    THR  50           HN       THR  50  15.308  -1.231  -0.140
  376    HA   THR  50           HA       THR  50  16.830  -3.149  -1.654
  377    HB   THR  50           HB       THR  50  17.700  -1.828   0.226
  378    HG1  THR  50           HG1      THR  50  18.977  -3.421   0.644
  379   1HG2  THR  50          HG21      THR  50  15.304  -2.375   1.430
  380   2HG2  THR  50          HG23      THR  50  16.384  -3.471   2.291
  381   3HG2  THR  50          HG22      THR  50  16.717  -1.739   2.272
  382    H    LYS  51           HN       LYS  51  13.990  -3.449   0.421
  383    HA   LYS  51           HA       LYS  51  14.123  -6.431   0.063
  384   1HB   LYS  51           HB2      LYS  51  13.430  -4.618   2.328
  385   2HB   LYS  51           HB1      LYS  51  12.508  -6.114   2.187
  386   1HG   LYS  51           HG2      LYS  51  14.785  -7.291   1.940
  387   2HG   LYS  51           HG1      LYS  51  15.488  -5.787   2.537
  388   1HD   LYS  51           HD2      LYS  51  14.963  -6.356   4.647
  389   2HD   LYS  51           HD1      LYS  51  13.260  -6.478   4.204
  390   1HE   LYS  51           HE2      LYS  51  13.665  -8.803   3.382
  391   2HE   LYS  51           HE1      LYS  51  15.342  -8.678   3.949
  392   1HZ   LYS  51           HZ3      LYS  51  13.999  -7.774   6.074
  393   2HZ   LYS  51           HZ2      LYS  51  12.890  -8.916   5.481
  394   3HZ   LYS  51           HZ1      LYS  51  14.471  -9.392   5.883
  395    H    ALA  52           HN       ALA  52  12.544  -3.714  -0.998
  396    HA   ALA  52           HA       ALA  52  10.326  -5.215  -2.126
  397   1HB   ALA  52           HB2      ALA  52  10.127  -4.159   0.533
  398   2HB   ALA  52           HB1      ALA  52   9.019  -3.266  -0.509
  399   3HB   ALA  52           HB3      ALA  52   8.898  -5.021  -0.392
  400    H    SER  53           HN       SER  53   8.531  -3.099  -2.447
  401    HA   SER  53           HA       SER  53   9.542  -0.567  -3.145
  402   1HB   SER  53           HB2      SER  53  10.934  -1.038  -4.864
  403   2HB   SER  53           HB1      SER  53  10.494  -2.741  -4.789
  404    HG   SER  53           HG       SER  53   9.608  -2.296  -6.654
  405    H    VAL  54           HN       VAL  54   8.099   0.546  -4.791
  406    HA   VAL  54           HA       VAL  54   5.398   0.374  -4.317
  407    HB   VAL  54           HB       VAL  54   7.072   1.140  -6.692
  408   1HG1  VAL  54          HG12      VAL  54   4.063   0.935  -6.611
  409   2HG1  VAL  54          HG11      VAL  54   4.865   2.141  -7.617
  410   3HG1  VAL  54          HG13      VAL  54   5.166   0.425  -7.888
  411   1HG2  VAL  54          HG23      VAL  54   5.394   2.503  -4.595
  412   2HG2  VAL  54          HG22      VAL  54   7.092   2.764  -4.993
  413   3HG2  VAL  54          HG21      VAL  54   5.832   3.352  -6.078
  414    H    GLN  55           HN       GLN  55   7.192  -1.526  -6.763
  415    HA   GLN  55           HA       GLN  55   5.054  -2.863  -8.007
  416   1HB   GLN  55           HB2      GLN  55   7.578  -2.938  -8.444
  417   2HB   GLN  55           HB1      GLN  55   7.667  -4.136  -7.152
  418   1HG   GLN  55           HG2      GLN  55   7.452  -5.437  -9.114
  419   2HG   GLN  55           HG1      GLN  55   5.816  -5.389  -8.458
  420   1HE2  GLN  55          HE22      GLN  55   6.542  -2.868 -11.634
  421   2HE2  GLN  55          HE21      GLN  55   7.732  -3.048 -10.436
  422    H    LYS  56           HN       LYS  56   6.840  -3.850  -5.072
  423    HA   LYS  56           HA       LYS  56   5.102  -6.097  -4.520
  424   1HB   LYS  56           HB2      LYS  56   7.600  -5.348  -3.824
  425   2HB   LYS  56           HB1      LYS  56   6.732  -4.827  -2.379
  426   1HG   LYS  56           HG2      LYS  56   7.271  -7.056  -1.872
  427   2HG   LYS  56           HG1      LYS  56   5.624  -7.189  -2.490
  428   1HD   LYS  56           HD2      LYS  56   6.419  -8.673  -3.986
  429   2HD   LYS  56           HD1      LYS  56   7.223  -7.314  -4.774
  430   1HE   LYS  56           HE2      LYS  56   8.554  -8.592  -2.400
  431   2HE   LYS  56           HE1      LYS  56   8.663  -9.385  -3.984
  432   1HZ   LYS  56           HZ2      LYS  56   9.267  -6.519  -3.479
  433   2HZ   LYS  56           HZ1      LYS  56  10.441  -7.735  -3.646
  434   3HZ   LYS  56           HZ3      LYS  56   9.439  -7.341  -4.956
  435    H    LEU  57           HN       LEU  57   4.927  -2.662  -3.684
  436    HA   LEU  57           HA       LEU  57   3.190  -3.058  -1.386
  437   1HB   LEU  57           HB2      LEU  57   3.479  -0.674  -3.249
  438   2HB   LEU  57           HB1      LEU  57   2.827  -0.643  -1.613
  439    HG   LEU  57           HG       LEU  57   5.663  -1.479  -2.281
  440   1HD1  LEU  57          HD12      LEU  57   4.392   1.142  -2.008
  441   2HD1  LEU  57          HD11      LEU  57   5.720   0.911  -0.873
  442   3HD1  LEU  57          HD13      LEU  57   6.002   0.735  -2.602
  443   1HD2  LEU  57          HD23      LEU  57   4.504  -2.277  -0.115
  444   2HD2  LEU  57          HD22      LEU  57   6.036  -1.423   0.074
  445   3HD2  LEU  57          HD21      LEU  57   4.516  -0.581   0.371
  446    H    THR  58           HN       THR  58   2.528  -1.771  -4.649
  447    HA   THR  58           HA       THR  58  -0.298  -1.992  -4.572
  448    HB   THR  58           HB       THR  58   1.698  -2.240  -6.851
  449    HG1  THR  58           HG1      THR  58   0.744   0.059  -6.974
  450   1HG2  THR  58          HG23      THR  58  -1.255  -1.555  -6.885
  451   2HG2  THR  58          HG22      THR  58  -0.175  -1.502  -8.278
  452   3HG2  THR  58          HG21      THR  58  -0.535  -3.043  -7.500
  453    H    LYS  59           HN       LYS  59   2.233  -4.364  -5.058
  454    HA   LYS  59           HA       LYS  59   0.580  -6.421  -6.199
  455   1HB   LYS  59           HB2      LYS  59   2.988  -6.399  -6.485
  456   2HB   LYS  59           HB1      LYS  59   3.233  -6.378  -4.738
  457   1HG   LYS  59           HG2      LYS  59   2.790  -8.614  -4.509
  458   2HG   LYS  59           HG1      LYS  59   1.599  -8.616  -5.811
  459   1HD   LYS  59           HD2      LYS  59   4.507  -8.182  -6.439
  460   2HD   LYS  59           HD1      LYS  59   3.893  -9.817  -6.193
  461   1HE   LYS  59           HE2      LYS  59   1.995  -8.981  -7.878
  462   2HE   LYS  59           HE1      LYS  59   3.292  -7.886  -8.398
  463   1HZ   LYS  59           HZ3      LYS  59   3.923 -10.710  -7.898
  464   2HZ   LYS  59           HZ2      LYS  59   3.160 -10.296  -9.358
  465   3HZ   LYS  59           HZ1      LYS  59   4.665  -9.616  -8.959
  466    H    ALA  60           HN       ALA  60   1.549  -5.479  -2.921
  467    HA   ALA  60           HA       ALA  60   0.500  -7.764  -1.572
  468   1HB   ALA  60           HB1      ALA  60   2.112  -5.879  -0.822
  469   2HB   ALA  60           HB3      ALA  60   0.650  -4.953  -0.482
  470   3HB   ALA  60           HB2      ALA  60   0.952  -6.469   0.368
  471    H    THR  61           HN       THR  61  -0.919  -4.609  -2.420
  472    HA   THR  61           HA       THR  61  -3.466  -5.170  -1.137
  473    HB   THR  61           HB       THR  61  -2.585  -2.890  -1.567
  474    HG1  THR  61           HG1      THR  61  -4.803  -3.168  -3.260
  475   1HG2  THR  61          HG23      THR  61  -2.818  -3.792  -4.443
  476   2HG2  THR  61          HG22      THR  61  -2.695  -2.095  -3.980
  477   3HG2  THR  61          HG21      THR  61  -1.380  -3.207  -3.607
  478    H    ALA  62           HN       ALA  62  -1.999  -5.666  -4.232
  479    HA   ALA  62           HA       ALA  62  -4.350  -6.295  -5.753
  480   1HB   ALA  62           HB3      ALA  62  -1.445  -6.350  -5.975
  481   2HB   ALA  62           HB2      ALA  62  -2.173  -7.750  -6.764
  482   3HB   ALA  62           HB1      ALA  62  -2.649  -6.120  -7.244
  483    H    ASP  63           HN       ASP  63  -2.229  -8.130  -3.599
  484    HA   ASP  63           HA       ASP  63  -3.626 -10.666  -4.223
  485   1HB   ASP  63           HB2      ASP  63  -1.250 -10.790  -3.921
  486   2HB   ASP  63           HB1      ASP  63  -1.319  -9.814  -2.453
  487    H    ALA  64           HN       ALA  64  -3.950  -8.015  -2.099
  488    HA   ALA  64           HA       ALA  64  -5.109  -9.461   0.163
  489   1HB   ALA  64           HB2      ALA  64  -4.229  -6.818  -0.547
  490   2HB   ALA  64           HB1      ALA  64  -5.889  -6.712   0.039
  491   3HB   ALA  64           HB3      ALA  64  -4.640  -7.431   1.056
  492    H    GLY  65           HN       GLY  65  -6.172  -8.023  -2.837
  493   1HA   GLY  65           HA2      GLY  65  -8.352  -9.196  -3.592
  494   2HA   GLY  65           HA1      GLY  65  -9.004  -8.562  -2.085
  495    H    TYR  66           HN       TYR  66  -6.722  -6.641  -3.957
  496    HA   TYR  66           HA       TYR  66  -8.973  -5.068  -5.116
  497   1HB   TYR  66           HB2      TYR  66  -6.801  -3.852  -3.402
  498   2HB   TYR  66           HB1      TYR  66  -8.232  -3.049  -4.036
  499    HD1  TYR  66           HD1      TYR  66 -10.519  -4.194  -3.357
  500    HD2  TYR  66           HD2      TYR  66  -6.803  -4.587  -1.271
  501    HE1  TYR  66           HE1      TYR  66 -11.748  -4.747  -1.287
  502    HE2  TYR  66           HE2      TYR  66  -8.013  -5.132   0.800
  503    HH   TYR  66           HH       TYR  66 -11.447  -5.764   0.820
  504    HA   PRO  67           HA       PRO  67  -5.660  -5.155  -8.257
  505   1HB   PRO  67           HB2      PRO  67  -7.569  -3.754  -9.928
  506   2HB   PRO  67           HB1      PRO  67  -6.990  -5.414 -10.100
  507   1HG   PRO  67           HG2      PRO  67  -9.581  -4.565  -9.256
  508   2HG   PRO  67           HG1      PRO  67  -8.964  -6.219  -9.333
  509   1HD   PRO  67           HD2      PRO  67  -9.512  -4.631  -6.975
  510   2HD   PRO  67           HD1      PRO  67  -8.924  -6.311  -7.055
  511    H    SER  68           HN       SER  68  -4.411  -3.528  -7.125
  512    HA   SER  68           HA       SER  68  -5.410  -0.724  -7.334
  513   1HB   SER  68           HB2      SER  68  -4.855  -0.788  -5.152
  514   2HB   SER  68           HB1      SER  68  -4.132  -2.379  -5.349
  515    HG   SER  68           HG       SER  68  -2.943   0.011  -5.055
  516    H    SER  69           HN       SER  69  -3.159   0.710  -7.017
  517    HA   SER  69           HA       SER  69  -1.107  -0.049  -8.996
  518   1HB   SER  69           HB2      SER  69  -1.832   1.409 -10.601
  519   2HB   SER  69           HB1      SER  69  -3.377   1.333  -9.761
  520    HG   SER  69           HG       SER  69  -2.363   3.485 -10.124
  521    H    VAL  70           HN       VAL  70   0.017   2.536  -9.138
  522    HA   VAL  70           HA       VAL  70   0.415   3.288  -6.288
  523    HB   VAL  70           HB       VAL  70   1.956   1.517  -7.367
  524   1HG1  VAL  70          HG11      VAL  70   2.226   3.291  -9.362
  525   2HG1  VAL  70          HG13      VAL  70   3.567   3.832  -8.351
  526   3HG1  VAL  70          HG12      VAL  70   3.518   2.169  -8.934
  527   1HG2  VAL  70          HG23      VAL  70   2.447   3.700  -5.526
  528   2HG2  VAL  70          HG22      VAL  70   3.056   2.046  -5.466
  529   3HG2  VAL  70          HG21      VAL  70   3.934   3.277  -6.373
  530    H    LYS  71           HN       LYS  71   1.429   5.419  -6.029
  531    HA   LYS  71           HA       LYS  71   1.171   7.119  -8.495
  532   1HB   LYS  71           HB2      LYS  71   0.647   8.160  -5.728
  533   2HB   LYS  71           HB1      LYS  71  -0.041   8.700  -7.259
  534   1HG   LYS  71           HG2      LYS  71  -1.353   6.633  -7.417
  535   2HG   LYS  71           HG1      LYS  71  -0.642   6.056  -5.909
  536   1HD   LYS  71           HD2      LYS  71  -2.175   7.184  -4.723
  537   2HD   LYS  71           HD1      LYS  71  -1.671   8.694  -5.481
  538   1HE   LYS  71           HE2      LYS  71  -3.116   7.690  -7.521
  539   2HE   LYS  71           HE1      LYS  71  -3.964   6.914  -6.170
  540   1HZ   LYS  71           HZ1      LYS  71  -4.071   9.079  -5.065
  541   2HZ   LYS  71           HZ3      LYS  71  -3.337   9.810  -6.408
  542   3HZ   LYS  71           HZ2      LYS  71  -4.877   9.108  -6.561
  543    H    GLN  72           HN       GLN  72   3.391   5.768  -7.136
  544    HA   GLN  72           HA       GLN  72   5.640   6.219  -6.506
  545   1HB   GLN  72           HB2      GLN  72   4.807   8.561  -8.236
  546   2HB   GLN  72           HB1      GLN  72   6.473   8.319  -7.708
  547   1HG   GLN  72           HG2      GLN  72   4.923   6.125  -9.086
  548   2HG   GLN  72           HG1      GLN  72   5.819   7.338 -10.003
  549   1HE2  GLN  72          HE22      GLN  72   9.022   6.074  -9.052
  550   2HE2  GLN  72          HE21      GLN  72   8.200   7.431  -9.655
   
  No H/Q in entry =         550
  Start of MODEL   14
    1   1H    ALA   1           HT3      ALA   1  16.355   1.564  -0.370
    2   2H    ALA   1           HT2      ALA   1  16.753   1.912  -1.985
    3   3H    ALA   1           HT1      ALA   1  17.890   2.176  -0.750
    4    HA   ALA   1           HA       ALA   1  17.174   4.259  -0.522
    5   1HB   ALA   1           HB2      ALA   1  16.569   3.819  -2.942
    6   2HB   ALA   1           HB1      ALA   1  14.928   3.462  -2.401
    7   3HB   ALA   1           HB3      ALA   1  15.601   5.076  -2.172
    8    H    THR   2           HN       THR   2  14.764   5.477  -0.231
    9    HA   THR   2           HA       THR   2  13.059   3.901   1.579
   10    HB   THR   2           HB       THR   2  13.436   6.344   2.839
   11    HG1  THR   2           HG1      THR   2  15.267   6.991   2.011
   12   1HG2  THR   2          HG23      THR   2  13.263   4.024   3.808
   13   2HG2  THR   2          HG22      THR   2  14.971   3.810   3.426
   14   3HG2  THR   2          HG21      THR   2  14.475   5.048   4.580
   15    H    GLN   3           HN       GLN   3  11.535   4.208  -0.150
   16    HA   GLN   3           HA       GLN   3  10.799   7.053  -0.751
   17   1HB   GLN   3           HB2      GLN   3  11.063   4.582  -2.231
   18   2HB   GLN   3           HB1      GLN   3   9.465   5.285  -2.481
   19   1HG   GLN   3           HG2      GLN   3  10.433   6.681  -3.966
   20   2HG   GLN   3           HG1      GLN   3  11.194   7.474  -2.586
   21   1HE2  GLN   3          HE22      GLN   3  13.412   4.713  -4.691
   22   2HE2  GLN   3          HE21      GLN   3  11.722   4.555  -4.654
   23    H    THR   4           HN       THR   4   8.494   7.539  -1.060
   24    HA   THR   4           HA       THR   4   6.629   5.851   0.568
   25    HB   THR   4           HB       THR   4   7.366   7.616   2.014
   26    HG1  THR   4           HG1      THR   4   5.172   7.500   2.100
   27   1HG2  THR   4          HG23      THR   4   6.944   9.446  -0.363
   28   2HG2  THR   4          HG22      THR   4   7.353   9.994   1.263
   29   3HG2  THR   4          HG21      THR   4   8.491   9.000   0.355
   30    H    VAL   5           HN       VAL   5   5.125   5.231  -0.968
   31    HA   VAL   5           HA       VAL   5   4.112   7.278  -2.913
   32    HB   VAL   5           HB       VAL   5   3.738   5.177  -4.269
   33   1HG1  VAL   5          HG13      VAL   5   5.875   6.773  -4.177
   34   2HG1  VAL   5          HG12      VAL   5   6.643   5.289  -3.612
   35   3HG1  VAL   5          HG11      VAL   5   5.853   5.328  -5.189
   36   1HG2  VAL   5          HG23      VAL   5   4.199   3.908  -1.883
   37   2HG2  VAL   5          HG22      VAL   5   4.264   3.127  -3.462
   38   3HG2  VAL   5          HG21      VAL   5   5.745   3.715  -2.708
   39    H    THR   6           HN       THR   6   1.827   6.796  -3.568
   40    HA   THR   6           HA       THR   6   0.285   5.662  -1.272
   41    HB   THR   6           HB       THR   6  -0.345   7.935  -1.654
   42    HG1  THR   6           HG1      THR   6  -2.211   6.721  -3.328
   43   1HG2  THR   6          HG23      THR   6   0.222   7.194  -4.450
   44   2HG2  THR   6          HG22      THR   6  -1.145   8.288  -4.234
   45   3HG2  THR   6          HG21      THR   6   0.450   8.737  -3.627
   46    H    LEU   7           HN       LEU   7  -1.728   4.492  -2.061
   47    HA   LEU   7           HA       LEU   7  -1.194   3.155  -4.675
   48   1HB   LEU   7           HB2      LEU   7  -1.186   2.174  -1.922
   49   2HB   LEU   7           HB1      LEU   7  -2.289   1.255  -2.946
   50    HG   LEU   7           HG       LEU   7  -0.575   0.629  -4.428
   51   1HD1  LEU   7          HD12      LEU   7   0.987   2.883  -3.204
   52   2HD1  LEU   7          HD11      LEU   7   1.774   1.613  -4.140
   53   3HD1  LEU   7          HD13      LEU   7   0.564   2.640  -4.891
   54   1HD2  LEU   7          HD21      LEU   7  -0.395  -0.341  -2.053
   55   2HD2  LEU   7          HD23      LEU   7   1.034  -0.479  -3.074
   56   3HD2  LEU   7          HD22      LEU   7   0.957   0.771  -1.839
   57    H    ALA   8           HN       ALA   8  -3.121   2.126  -5.564
   58    HA   ALA   8           HA       ALA   8  -5.614   3.602  -4.773
   59   1HB   ALA   8           HB1      ALA   8  -4.217   3.192  -7.201
   60   2HB   ALA   8           HB3      ALA   8  -5.708   2.260  -7.331
   61   3HB   ALA   8           HB2      ALA   8  -5.775   3.990  -6.993
   62    H    VAL   9           HN       VAL   9  -6.742   2.220  -3.375
   63    HA   VAL   9           HA       VAL   9  -7.086  -0.633  -4.265
   64    HB   VAL   9           HB       VAL   9  -5.935  -0.522  -2.158
   65   1HG1  VAL   9          HG11      VAL   9  -7.828   1.738  -1.689
   66   2HG1  VAL   9          HG13      VAL   9  -7.320   0.804  -0.282
   67   3HG1  VAL   9          HG12      VAL   9  -6.115   1.607  -1.289
   68   1HG2  VAL   9          HG22      VAL   9  -8.536  -1.604  -2.379
   69   2HG2  VAL   9          HG21      VAL   9  -7.288  -2.069  -1.223
   70   3HG2  VAL   9          HG23      VAL   9  -8.471  -0.834  -0.794
   71    HA   PRO  10           HA       PRO  10 -11.204   1.415  -4.598
   72   1HB   PRO  10           HB2      PRO  10 -11.803  -0.038  -6.916
   73   2HB   PRO  10           HB1      PRO  10 -11.160   1.606  -6.859
   74   1HG   PRO  10           HG2      PRO  10  -9.823  -0.849  -7.685
   75   2HG   PRO  10           HG1      PRO  10  -9.285   0.822  -7.872
   76   1HD   PRO  10           HD2      PRO  10  -8.324  -1.137  -5.986
   77   2HD   PRO  10           HD1      PRO  10  -7.808   0.559  -6.154
   78    H    GLY  11           HN       GLY  11 -10.546  -1.058  -2.956
   79   1HA   GLY  11           HA2      GLY  11 -12.552  -3.028  -3.778
   80   2HA   GLY  11           HA1      GLY  11 -11.633  -3.055  -2.270
   81    H    MET  12           HN       MET  12 -12.292  -0.262  -1.650
   82    HA   MET  12           HA       MET  12 -13.876   0.709  -0.147
   83   1HB   MET  12           HB2      MET  12 -14.603   0.599  -2.906
   84   2HB   MET  12           HB1      MET  12 -16.081   0.394  -1.968
   85   1HG   MET  12           HG2      MET  12 -15.853   2.470  -0.908
   86   2HG   MET  12           HG1      MET  12 -14.121   2.551  -1.226
   87   1HE   MET  12           HE3      MET  12 -17.474   1.993  -3.170
   88   2HE   MET  12           HE2      MET  12 -16.987   2.469  -4.795
   89   3HE   MET  12           HE1      MET  12 -16.197   1.104  -4.010
   90    H    THR  13           HN       THR  13 -13.585  -2.057   0.420
   91    HA   THR  13           HA       THR  13 -15.852  -3.672   0.462
   92    HB   THR  13           HB       THR  13 -13.462  -3.934   1.468
   93    HG1  THR  13           HG1      THR  13 -14.207  -5.592   2.683
   94   1HG2  THR  13          HG21      THR  13 -14.198  -1.908   3.082
   95   2HG2  THR  13          HG23      THR  13 -14.653  -3.275   4.097
   96   3HG2  THR  13          HG22      THR  13 -12.991  -3.108   3.532
   97    H    CYS  14           HN       CYS  14 -15.220  -0.687   2.151
   98    HA   CYS  14           HA       CYS  14 -17.583   0.469   2.596
   99   1HB   CYS  14           HB2      CYS  14 -18.672  -1.544   3.331
  100   2HB   CYS  14           HB1      CYS  14 -17.363  -1.918   4.452
  101    HG   CYS  14           HG       CYS  14 -19.037   0.659   4.965
  102    H    ALA  15           HN       ALA  15 -15.046  -0.931   4.584
  103    HA   ALA  15           HA       ALA  15 -13.919   1.602   5.381
  104   1HB   ALA  15           HB3      ALA  15 -16.251   1.198   6.614
  105   2HB   ALA  15           HB2      ALA  15 -15.248   0.210   7.676
  106   3HB   ALA  15           HB1      ALA  15 -14.891   1.925   7.468
  107    H    ALA  16           HN       ALA  16 -13.221  -1.152   4.481
  108    HA   ALA  16           HA       ALA  16 -11.301  -1.861   6.665
  109   1HB   ALA  16           HB3      ALA  16 -13.463  -3.350   5.531
  110   2HB   ALA  16           HB2      ALA  16 -11.959  -4.127   5.040
  111   3HB   ALA  16           HB1      ALA  16 -12.307  -3.880   6.751
  112    H    CYS  17           HN       CYS  17 -11.926  -1.478   3.216
  113    HA   CYS  17           HA       CYS  17  -9.771  -2.659   1.945
  114   1HB   CYS  17           HB2      CYS  17 -11.494  -0.338   1.609
  115   2HB   CYS  17           HB1      CYS  17  -9.917  -0.115   0.847
  116    HG   CYS  17           HG       CYS  17 -10.727  -1.614  -0.939
  117    HA   PRO  18           HA       PRO  18  -6.864   1.001   3.111
  118   1HB   PRO  18           HB2      PRO  18  -7.862   2.565   5.238
  119   2HB   PRO  18           HB1      PRO  18  -7.836   2.996   3.526
  120   1HG   PRO  18           HG2      PRO  18 -10.122   2.375   5.168
  121   2HG   PRO  18           HG1      PRO  18 -10.095   2.874   3.474
  122   1HD   PRO  18           HD2      PRO  18 -10.579   0.223   4.577
  123   2HD   PRO  18           HD1      PRO  18 -10.720   0.760   2.890
  124    H    ILE  19           HN       ILE  19  -8.509  -0.786   5.644
  125    HA   ILE  19           HA       ILE  19  -6.295  -0.440   7.574
  126    HB   ILE  19           HB       ILE  19  -8.940  -1.897   7.468
  127   1HG1  ILE  19          HG12      ILE  19  -8.718   0.588   8.000
  128   2HG1  ILE  19          HG11      ILE  19  -9.543  -0.377   9.223
  129   1HG2  ILE  19          HG21      ILE  19  -6.598  -2.463   9.184
  130   2HG2  ILE  19          HG23      ILE  19  -8.116  -2.236  10.051
  131   3HG2  ILE  19          HG22      ILE  19  -7.989  -3.479   8.807
  132   1HD1  ILE  19          HD11      ILE  19  -6.673  -0.365   9.668
  133   2HD1  ILE  19          HD13      ILE  19  -7.318   1.276   9.631
  134   3HD1  ILE  19          HD12      ILE  19  -7.972   0.097  10.767
  135    H    THR  20           HN       THR  20  -7.679  -2.978   5.539
  136    HA   THR  20           HA       THR  20  -5.818  -5.053   6.257
  137    HB   THR  20           HB       THR  20  -7.982  -4.436   4.322
  138    HG1  THR  20           HG1      THR  20  -8.435  -5.619   6.137
  139   1HG2  THR  20          HG21      THR  20  -6.166  -5.191   2.812
  140   2HG2  THR  20          HG23      THR  20  -6.026  -6.672   3.758
  141   3HG2  THR  20          HG22      THR  20  -7.510  -6.332   2.868
  142    H    VAL  21           HN       VAL  21  -6.021  -2.555   3.755
  143    HA   VAL  21           HA       VAL  21  -3.781  -3.386   2.200
  144    HB   VAL  21           HB       VAL  21  -5.246  -0.793   2.719
  145   1HG1  VAL  21          HG13      VAL  21  -2.840  -1.309   0.983
  146   2HG1  VAL  21          HG12      VAL  21  -3.998  -0.046   0.577
  147   3HG1  VAL  21          HG11      VAL  21  -3.119   0.022   2.104
  148   1HG2  VAL  21          HG23      VAL  21  -6.091  -2.903   1.352
  149   2HG2  VAL  21          HG22      VAL  21  -6.392  -1.270   0.757
  150   3HG2  VAL  21          HG21      VAL  21  -5.065  -2.219   0.095
  151    H    LYS  22           HN       LYS  22  -4.159  -1.089   4.886
  152    HA   LYS  22           HA       LYS  22  -1.550  -0.081   5.104
  153   1HB   LYS  22           HB2      LYS  22  -3.525   0.604   6.432
  154   2HB   LYS  22           HB1      LYS  22  -3.467  -0.930   7.301
  155   1HG   LYS  22           HG2      LYS  22  -1.194  -0.378   8.110
  156   2HG   LYS  22           HG1      LYS  22  -1.279   1.170   7.268
  157   1HD   LYS  22           HD2      LYS  22  -3.465   1.539   8.623
  158   2HD   LYS  22           HD1      LYS  22  -2.863   0.240   9.656
  159   1HE   LYS  22           HE2      LYS  22  -0.704   1.535   9.897
  160   2HE   LYS  22           HE1      LYS  22  -1.497   2.884   9.059
  161   1HZ   LYS  22           HZ1      LYS  22  -3.352   2.605  10.707
  162   2HZ   LYS  22           HZ3      LYS  22  -2.328   1.582  11.592
  163   3HZ   LYS  22           HZ2      LYS  22  -1.901   3.209  11.351
  164    H    LYS  23           HN       LYS  23  -2.843  -3.106   6.526
  165    HA   LYS  23           HA       LYS  23  -0.277  -3.845   7.669
  166   1HB   LYS  23           HB2      LYS  23  -2.977  -5.086   7.270
  167   2HB   LYS  23           HB1      LYS  23  -1.636  -6.098   7.808
  168   1HG   LYS  23           HG2      LYS  23  -1.260  -4.679   9.738
  169   2HG   LYS  23           HG1      LYS  23  -2.455  -3.514   9.166
  170   1HD   LYS  23           HD2      LYS  23  -3.485  -6.261   9.367
  171   2HD   LYS  23           HD1      LYS  23  -2.983  -5.577  10.913
  172   1HE   LYS  23           HE2      LYS  23  -4.356  -3.476   9.699
  173   2HE   LYS  23           HE1      LYS  23  -5.315  -4.911   9.283
  174   1HZ   LYS  23           HZ3      LYS  23  -4.900  -5.573  11.710
  175   2HZ   LYS  23           HZ2      LYS  23  -4.514  -3.937  11.955
  176   3HZ   LYS  23           HZ1      LYS  23  -6.061  -4.374  11.404
  177    H    ALA  24           HN       ALA  24  -1.733  -4.251   4.560
  178    HA   ALA  24           HA       ALA  24  -0.323  -6.590   3.702
  179   1HB   ALA  24           HB1      ALA  24  -2.411  -5.169   2.818
  180   2HB   ALA  24           HB3      ALA  24  -1.161  -4.450   1.803
  181   3HB   ALA  24           HB2      ALA  24  -1.462  -6.186   1.735
  182    H    LEU  25           HN       LEU  25   0.206  -3.122   3.012
  183    HA   LEU  25           HA       LEU  25   2.727  -3.555   1.667
  184   1HB   LEU  25           HB2      LEU  25   1.453  -1.136   2.976
  185   2HB   LEU  25           HB1      LEU  25   2.779  -1.089   1.809
  186    HG   LEU  25           HG       LEU  25   1.000  -2.663   0.489
  187   1HD1  LEU  25          HD12      LEU  25  -0.485  -1.154   2.503
  188   2HD1  LEU  25          HD11      LEU  25  -1.063  -0.898   0.858
  189   3HD1  LEU  25          HD13      LEU  25  -0.992  -2.530   1.520
  190   1HD2  LEU  25          HD22      LEU  25   1.983   0.037   0.395
  191   2HD2  LEU  25          HD21      LEU  25   1.502  -1.014  -0.937
  192   3HD2  LEU  25          HD23      LEU  25   0.302   0.000  -0.141
  193    H    SER  26           HN       SER  26   1.754  -2.904   4.982
  194    HA   SER  26           HA       SER  26   4.373  -2.206   5.996
  195   1HB   SER  26           HB2      SER  26   2.075  -1.818   7.034
  196   2HB   SER  26           HB1      SER  26   2.039  -3.534   7.424
  197    HG   SER  26           HG       SER  26   4.193  -1.852   8.157
  198    H    LYS  27           HN       LYS  27   2.764  -5.193   5.146
  199    HA   LYS  27           HA       LYS  27   4.983  -6.722   6.414
  200   1HB   LYS  27           HB2      LYS  27   3.409  -8.596   6.409
  201   2HB   LYS  27           HB1      LYS  27   2.634  -7.188   7.134
  202   1HG   LYS  27           HG2      LYS  27   1.002  -7.985   5.637
  203   2HG   LYS  27           HG1      LYS  27   1.787  -6.697   4.729
  204   1HD   LYS  27           HD2      LYS  27   2.767  -8.132   3.256
  205   2HD   LYS  27           HD1      LYS  27   3.010  -9.380   4.479
  206   1HE   LYS  27           HE2      LYS  27   0.531  -9.836   4.421
  207   2HE   LYS  27           HE1      LYS  27   0.412  -8.714   3.051
  208   1HZ   LYS  27           HZ3      LYS  27   2.322 -10.983   3.134
  209   2HZ   LYS  27           HZ2      LYS  27   0.783 -11.096   2.424
  210   3HZ   LYS  27           HZ1      LYS  27   1.931 -10.010   1.801
  211    H    VAL  28           HN       VAL  28   4.185  -5.433   3.487
  212    HA   VAL  28           HA       VAL  28   4.318  -7.450   1.555
  213    HB   VAL  28           HB       VAL  28   3.973  -5.085   1.059
  214   1HG1  VAL  28          HG13      VAL  28   5.858  -4.501   2.844
  215   2HG1  VAL  28          HG12      VAL  28   6.879  -4.479   1.408
  216   3HG1  VAL  28          HG11      VAL  28   5.488  -3.400   1.518
  217   1HG2  VAL  28          HG22      VAL  28   6.404  -6.366  -0.198
  218   2HG2  VAL  28          HG21      VAL  28   4.763  -6.280  -0.838
  219   3HG2  VAL  28          HG23      VAL  28   5.762  -4.828  -0.773
  220    H    GLU  29           HN       GLU  29   7.160  -5.782   3.024
  221    HA   GLU  29           HA       GLU  29   8.751  -8.091   3.328
  222   1HB   GLU  29           HB2      GLU  29   8.435  -7.081   0.597
  223   2HB   GLU  29           HB1      GLU  29  10.126  -7.219   1.079
  224   1HG   GLU  29           HG2      GLU  29   8.520  -9.507   1.937
  225   2HG   GLU  29           HG1      GLU  29   8.528  -9.301   0.186
  226    H    GLY  30           HN       GLY  30   9.808  -5.180   1.556
  227   1HA   GLY  30           HA2      GLY  30  11.671  -4.597   3.781
  228   2HA   GLY  30           HA1      GLY  30  11.732  -3.878   2.173
  229    H    VAL  31           HN       VAL  31   8.558  -3.722   3.016
  230    HA   VAL  31           HA       VAL  31   8.283  -0.963   3.193
  231    HB   VAL  31           HB       VAL  31   6.419  -2.535   3.077
  232   1HG1  VAL  31          HG13      VAL  31   7.720  -4.018   4.891
  233   2HG1  VAL  31          HG12      VAL  31   6.632  -3.165   5.985
  234   3HG1  VAL  31          HG11      VAL  31   5.974  -4.142   4.672
  235   1HG2  VAL  31          HG23      VAL  31   6.258  -0.201   4.235
  236   2HG2  VAL  31          HG22      VAL  31   4.917  -1.326   4.434
  237   3HG2  VAL  31          HG21      VAL  31   6.101  -1.130   5.725
  238    H    SER  32           HN       SER  32   8.506   0.557   4.699
  239    HA   SER  32           HA       SER  32   9.627  -0.225   7.362
  240   1HB   SER  32           HB2      SER  32  11.237   0.900   5.872
  241   2HB   SER  32           HB1      SER  32  10.101   2.222   5.628
  242    HG   SER  32           HG       SER  32  10.197   2.349   8.049
  243    H    LYS  33           HN       LYS  33   7.113   1.312   5.651
  244    HA   LYS  33           HA       LYS  33   5.789   2.073   8.166
  245   1HB   LYS  33           HB2      LYS  33   6.662   4.166   8.128
  246   2HB   LYS  33           HB1      LYS  33   7.323   3.931   6.515
  247   1HG   LYS  33           HG2      LYS  33   5.209   4.539   5.495
  248   2HG   LYS  33           HG1      LYS  33   4.414   4.581   7.068
  249   1HD   LYS  33           HD2      LYS  33   5.921   6.427   7.761
  250   2HD   LYS  33           HD1      LYS  33   6.653   6.410   6.155
  251   1HE   LYS  33           HE2      LYS  33   4.269   6.756   5.241
  252   2HE   LYS  33           HE1      LYS  33   3.825   7.176   6.907
  253   1HZ   LYS  33           HZ1      LYS  33   5.750   8.722   6.910
  254   2HZ   LYS  33           HZ3      LYS  33   5.947   8.430   5.251
  255   3HZ   LYS  33           HZ2      LYS  33   4.525   9.167   5.819
  256    H    VAL  34           HN       VAL  34   3.518   2.909   7.663
  257    HA   VAL  34           HA       VAL  34   2.499   2.455   4.941
  258    HB   VAL  34           HB       VAL  34   2.830   0.195   5.824
  259   1HG1  VAL  34          HG12      VAL  34   2.099   1.412   8.255
  260   2HG1  VAL  34          HG11      VAL  34   0.808   0.265   7.899
  261   3HG1  VAL  34          HG13      VAL  34   2.479  -0.290   7.998
  262   1HG2  VAL  34          HG21      VAL  34   0.425   1.262   4.840
  263   2HG2  VAL  34          HG23      VAL  34   0.896  -0.436   4.844
  264   3HG2  VAL  34          HG22      VAL  34  -0.053   0.219   6.178
  265    H    ASP  35           HN       ASP  35   0.260   3.101   4.727
  266    HA   ASP  35           HA       ASP  35  -1.308   3.892   7.066
  267   1HB   ASP  35           HB2      ASP  35   0.519   5.742   5.737
  268   2HB   ASP  35           HB1      ASP  35  -1.145   6.328   5.700
  269    H    VAL  36           HN       VAL  36  -3.397   5.042   6.220
  270    HA   VAL  36           HA       VAL  36  -3.955   4.500   3.360
  271    HB   VAL  36           HB       VAL  36  -6.009   3.152   4.191
  272   1HG1  VAL  36          HG12      VAL  36  -3.535   2.427   3.295
  273   2HG1  VAL  36          HG11      VAL  36  -3.593   1.581   4.841
  274   3HG1  VAL  36          HG13      VAL  36  -4.838   1.286   3.628
  275   1HG2  VAL  36          HG22      VAL  36  -5.204   3.932   6.646
  276   2HG2  VAL  36          HG21      VAL  36  -6.076   2.425   6.373
  277   3HG2  VAL  36          HG23      VAL  36  -4.320   2.410   6.530
  278    H    GLY  37           HN       GLY  37  -6.151   5.281   2.741
  279   1HA   GLY  37           HA2      GLY  37  -7.531   7.044   4.637
  280   2HA   GLY  37           HA1      GLY  37  -6.746   7.872   3.296
  281    H    PHE  38           HN       PHE  38  -9.599   6.387   4.273
  282    HA   PHE  38           HA       PHE  38 -10.524   5.206   1.819
  283   1HB   PHE  38           HB2      PHE  38 -11.373   5.490   4.438
  284   2HB   PHE  38           HB1      PHE  38 -12.526   6.486   3.549
  285    HD1  PHE  38           HD1      PHE  38 -13.456   5.401   1.316
  286    HD2  PHE  38           HD2      PHE  38 -11.771   3.191   4.590
  287    HE1  PHE  38           HE1      PHE  38 -14.637   3.361   0.546
  288    HE2  PHE  38           HE2      PHE  38 -12.950   1.150   3.819
  289    HZ   PHE  38           HZ       PHE  38 -14.394   1.236   1.802
  290    H    GLU  39           HN       GLU  39 -10.132   8.498   2.842
  291    HA   GLU  39           HA       GLU  39 -12.116   9.872   1.380
  292   1HB   GLU  39           HB2      GLU  39  -9.221  10.443   2.059
  293   2HB   GLU  39           HB1      GLU  39 -10.244  11.644   1.269
  294   1HG   GLU  39           HG2      GLU  39 -11.886  10.875   3.289
  295   2HG   GLU  39           HG1      GLU  39 -10.317  10.642   4.058
  296    H    LYS  40           HN       LYS  40  -8.748   9.371   0.259
  297    HA   LYS  40           HA       LYS  40  -9.699   9.551  -2.549
  298   1HB   LYS  40           HB2      LYS  40  -7.294  10.163  -1.014
  299   2HB   LYS  40           HB1      LYS  40  -6.918   9.242  -2.471
  300   1HG   LYS  40           HG2      LYS  40  -7.040  11.224  -3.562
  301   2HG   LYS  40           HG1      LYS  40  -8.787  11.073  -3.373
  302   1HD   LYS  40           HD2      LYS  40  -8.859  12.783  -1.902
  303   2HD   LYS  40           HD1      LYS  40  -7.537  12.102  -0.952
  304   1HE   LYS  40           HE2      LYS  40  -6.832  14.275  -1.834
  305   2HE   LYS  40           HE1      LYS  40  -5.930  13.006  -2.687
  306   1HZ   LYS  40           HZ3      LYS  40  -8.153  13.110  -4.146
  307   2HZ   LYS  40           HZ2      LYS  40  -8.059  14.734  -3.657
  308   3HZ   LYS  40           HZ1      LYS  40  -6.769  14.023  -4.503
  309    H    ARG  41           HN       ARG  41 -10.017   7.199  -0.631
  310    HA   ARG  41           HA       ARG  41  -9.633   4.865  -0.600
  311   1HB   ARG  41           HB2      ARG  41 -10.611   5.898  -3.158
  312   2HB   ARG  41           HB1      ARG  41  -9.870   4.302  -3.305
  313   1HG   ARG  41           HG2      ARG  41 -11.540   4.482  -0.934
  314   2HG   ARG  41           HG1      ARG  41 -12.455   4.850  -2.393
  315   1HD   ARG  41           HD2      ARG  41 -12.535   2.642  -2.864
  316   2HD   ARG  41           HD1      ARG  41 -10.765   2.599  -2.954
  317    HE   ARG  41           HE       ARG  41 -12.475   1.752  -0.723
  318   1HH1  ARG  41          HH21      ARG  41  -9.405   3.025  -1.572
  319   2HH1  ARG  41          HH22      ARG  41  -8.738   2.826   0.014
  320   1HH2  ARG  41          HH11      ARG  41 -11.643   1.496   1.349
  321   2HH2  ARG  41          HH12      ARG  41 -10.005   1.961   1.666
  322    H    GLU  42           HN       GLU  42  -7.162   5.741  -0.267
  323    HA   GLU  42           HA       GLU  42  -5.568   4.070  -2.142
  324   1HB   GLU  42           HB2      GLU  42  -3.981   5.948  -2.451
  325   2HB   GLU  42           HB1      GLU  42  -5.598   6.397  -2.994
  326   1HG   GLU  42           HG2      GLU  42  -6.029   7.604  -0.947
  327   2HG   GLU  42           HG1      GLU  42  -4.532   7.011  -0.227
  328    H    ALA  43           HN       ALA  43  -3.273   3.759  -1.260
  329    HA   ALA  43           HA       ALA  43  -3.275   4.009   1.733
  330   1HB   ALA  43           HB1      ALA  43  -2.621   1.712  -0.113
  331   2HB   ALA  43           HB3      ALA  43  -1.925   1.781   1.506
  332   3HB   ALA  43           HB2      ALA  43  -3.675   1.721   1.301
  333    H    VAL  44           HN       VAL  44  -1.426   4.987   2.530
  334    HA   VAL  44           HA       VAL  44   0.737   5.558   0.547
  335    HB   VAL  44           HB       VAL  44  -0.576   7.402   1.692
  336   1HG1  VAL  44          HG11      VAL  44  -0.470   5.944   3.899
  337   2HG1  VAL  44          HG13      VAL  44   1.034   6.828   4.154
  338   3HG1  VAL  44          HG12      VAL  44  -0.488   7.705   3.991
  339   1HG2  VAL  44          HG23      VAL  44   2.125   7.222   1.091
  340   2HG2  VAL  44          HG22      VAL  44   1.263   8.711   1.480
  341   3HG2  VAL  44          HG21      VAL  44   2.128   7.836   2.743
  342    H    VAL  45           HN       VAL  45   2.442   4.208   0.757
  343    HA   VAL  45           HA       VAL  45   3.215   3.373   3.528
  344    HB   VAL  45           HB       VAL  45   2.954   1.828   0.947
  345   1HG1  VAL  45          HG11      VAL  45   4.900   1.472   3.070
  346   2HG1  VAL  45          HG13      VAL  45   3.824   0.079   2.965
  347   3HG1  VAL  45          HG12      VAL  45   4.740   0.593   1.549
  348   1HG2  VAL  45          HG21      VAL  45   1.173   2.226   2.960
  349   2HG2  VAL  45          HG23      VAL  45   1.222   0.756   1.986
  350   3HG2  VAL  45          HG22      VAL  45   2.013   0.796   3.561
  351    H    THR  46           HN       THR  46   5.395   3.305   3.943
  352    HA   THR  46           HA       THR  46   7.205   4.406   1.829
  353    HB   THR  46           HB       THR  46   6.979   4.567   4.824
  354    HG1  THR  46           HG1      THR  46   6.555   6.521   4.251
  355   1HG2  THR  46          HG23      THR  46   9.272   3.732   4.392
  356   2HG2  THR  46          HG22      THR  46   9.540   5.080   3.286
  357   3HG2  THR  46          HG21      THR  46   9.281   5.386   5.004
  358    H    PHE  47           HN       PHE  47   9.436   3.332   1.839
  359    HA   PHE  47           HA       PHE  47   9.729   0.838   3.308
  360   1HB   PHE  47           HB2      PHE  47   9.440  -0.650   1.378
  361   2HB   PHE  47           HB1      PHE  47   7.967   0.280   1.656
  362    HD1  PHE  47           HD2      PHE  47  11.091   0.154  -0.423
  363    HD2  PHE  47           HD1      PHE  47   7.126   1.771   0.031
  364    HE1  PHE  47           HE2      PHE  47  11.209   1.085  -2.705
  365    HE2  PHE  47           HE1      PHE  47   7.248   2.700  -2.261
  366    HZ   PHE  47           HZ       PHE  47   9.278   2.357  -3.630
  367    H    ASP  48           HN       ASP  48  11.444  -0.568   2.095
  368    HA   ASP  48           HA       ASP  48  13.673   1.271   1.376
  369   1HB   ASP  48           HB2      ASP  48  13.336  -1.280   2.859
  370   2HB   ASP  48           HB1      ASP  48  14.795  -1.162   1.877
  371    H    ASP  49           HN       ASP  49  13.899   1.387  -0.811
  372    HA   ASP  49           HA       ASP  49  12.716  -0.392  -2.675
  373   1HB   ASP  49           HB2      ASP  49  13.366   1.807  -3.329
  374   2HB   ASP  49           HB1      ASP  49  15.027   1.554  -2.791
  375    H    THR  50           HN       THR  50  15.426  -0.921  -0.685
  376    HA   THR  50           HA       THR  50  17.042  -2.564  -2.425
  377    HB   THR  50           HB       THR  50  18.165  -3.127  -0.341
  378    HG1  THR  50           HG1      THR  50  16.933  -2.100   1.573
  379   1HG2  THR  50          HG21      THR  50  17.600  -0.491  -1.182
  380   2HG2  THR  50          HG23      THR  50  17.498  -0.477   0.578
  381   3HG2  THR  50          HG22      THR  50  18.971  -1.035  -0.215
  382    H    LYS  51           HN       LYS  51  14.220  -3.208  -0.388
  383    HA   LYS  51           HA       LYS  51  14.258  -6.037  -1.378
  384   1HB   LYS  51           HB2      LYS  51  13.858  -4.942   1.414
  385   2HB   LYS  51           HB1      LYS  51  13.371  -6.578   0.967
  386   1HG   LYS  51           HG2      LYS  51  15.796  -6.800   0.044
  387   2HG   LYS  51           HG1      LYS  51  16.140  -5.398   1.058
  388   1HD   LYS  51           HD2      LYS  51  14.744  -6.953   2.806
  389   2HD   LYS  51           HD1      LYS  51  15.547  -8.189   1.837
  390   1HE   LYS  51           HE2      LYS  51  17.277  -7.807   3.310
  391   2HE   LYS  51           HE1      LYS  51  17.613  -6.443   2.225
  392   1HZ   LYS  51           HZ1      LYS  51  15.688  -6.272   4.472
  393   2HZ   LYS  51           HZ3      LYS  51  17.322  -5.850   4.640
  394   3HZ   LYS  51           HZ2      LYS  51  16.333  -4.997   3.553
  395    H    ALA  52           HN       ALA  52  12.673  -3.370  -1.888
  396    HA   ALA  52           HA       ALA  52  10.116  -4.644  -2.396
  397   1HB   ALA  52           HB3      ALA  52  10.407  -4.008   0.187
  398   2HB   ALA  52           HB2      ALA  52   9.903  -2.424  -0.402
  399   3HB   ALA  52           HB1      ALA  52   8.857  -3.825  -0.634
  400    H    SER  53           HN       SER  53   8.459  -2.753  -2.963
  401    HA   SER  53           HA       SER  53   9.372  -0.158  -3.707
  402   1HB   SER  53           HB2      SER  53  10.402  -0.482  -5.722
  403   2HB   SER  53           HB1      SER  53  10.608  -2.140  -5.164
  404    HG   SER  53           HG       SER  53   8.967  -2.774  -6.396
  405    H    VAL  54           HN       VAL  54   7.809   0.805  -5.422
  406    HA   VAL  54           HA       VAL  54   5.145   0.590  -4.748
  407    HB   VAL  54           HB       VAL  54   6.632   1.226  -7.280
  408   1HG1  VAL  54          HG11      VAL  54   3.624   1.018  -6.997
  409   2HG1  VAL  54          HG13      VAL  54   4.403   1.997  -8.241
  410   3HG1  VAL  54          HG12      VAL  54   4.646   0.250  -8.211
  411   1HG2  VAL  54          HG21      VAL  54   5.102   2.659  -5.139
  412   2HG2  VAL  54          HG23      VAL  54   6.679   3.040  -5.832
  413   3HG2  VAL  54          HG22      VAL  54   5.208   3.399  -6.736
  414    H    GLN  55           HN       GLN  55   6.956  -1.558  -6.908
  415    HA   GLN  55           HA       GLN  55   4.799  -3.031  -8.027
  416   1HB   GLN  55           HB2      GLN  55   7.294  -3.053  -8.571
  417   2HB   GLN  55           HB1      GLN  55   7.502  -4.108  -7.174
  418   1HG   GLN  55           HG2      GLN  55   5.688  -5.592  -8.237
  419   2HG   GLN  55           HG1      GLN  55   5.949  -4.651  -9.707
  420   1HE2  GLN  55          HE22      GLN  55   9.505  -5.782  -9.775
  421   2HE2  GLN  55          HE21      GLN  55   8.719  -4.279  -9.694
  422    H    LYS  56           HN       LYS  56   6.725  -3.717  -5.082
  423    HA   LYS  56           HA       LYS  56   5.038  -5.952  -4.302
  424   1HB   LYS  56           HB2      LYS  56   7.073  -4.336  -2.733
  425   2HB   LYS  56           HB1      LYS  56   6.513  -5.964  -2.353
  426   1HG   LYS  56           HG2      LYS  56   8.027  -5.142  -4.845
  427   2HG   LYS  56           HG1      LYS  56   8.671  -6.084  -3.499
  428   1HD   LYS  56           HD2      LYS  56   6.518  -7.589  -4.051
  429   2HD   LYS  56           HD1      LYS  56   6.783  -6.904  -5.655
  430   1HE   LYS  56           HE2      LYS  56   9.225  -7.889  -4.281
  431   2HE   LYS  56           HE1      LYS  56   8.066  -9.134  -4.786
  432   1HZ   LYS  56           HZ1      LYS  56   7.961  -8.050  -6.973
  433   2HZ   LYS  56           HZ3      LYS  56   9.167  -6.960  -6.488
  434   3HZ   LYS  56           HZ2      LYS  56   9.524  -8.616  -6.619
  435    H    LEU  57           HN       LEU  57   4.874  -2.481  -3.759
  436    HA   LEU  57           HA       LEU  57   3.323  -2.600  -1.311
  437   1HB   LEU  57           HB2      LEU  57   3.437  -0.515  -3.519
  438   2HB   LEU  57           HB1      LEU  57   2.869  -0.243  -1.877
  439    HG   LEU  57           HG       LEU  57   5.684  -1.015  -2.683
  440   1HD1  LEU  57          HD11      LEU  57   4.369   1.449  -2.686
  441   2HD1  LEU  57          HD13      LEU  57   5.292   1.444  -1.184
  442   3HD1  LEU  57          HD12      LEU  57   6.114   1.194  -2.726
  443   1HD2  LEU  57          HD21      LEU  57   4.326  -0.688  -0.002
  444   2HD2  LEU  57          HD23      LEU  57   5.392  -1.985  -0.543
  445   3HD2  LEU  57          HD22      LEU  57   6.056  -0.393  -0.177
  446    H    THR  58           HN       THR  58   2.382  -1.822  -4.677
  447    HA   THR  58           HA       THR  58  -0.428  -2.028  -4.310
  448    HB   THR  58           HB       THR  58   1.320  -2.599  -6.731
  449    HG1  THR  58           HG1      THR  58   0.535  -0.318  -7.096
  450   1HG2  THR  58          HG22      THR  58  -1.230  -3.248  -6.680
  451   2HG2  THR  58          HG21      THR  58  -1.473  -1.509  -6.844
  452   3HG2  THR  58          HG23      THR  58  -0.570  -2.392  -8.074
  453    H    LYS  59           HN       LYS  59   2.062  -4.459  -4.738
  454    HA   LYS  59           HA       LYS  59   0.264  -6.623  -5.386
  455   1HB   LYS  59           HB2      LYS  59   2.605  -6.625  -6.068
  456   2HB   LYS  59           HB1      LYS  59   3.123  -6.469  -4.389
  457   1HG   LYS  59           HG2      LYS  59   2.479  -8.662  -3.853
  458   2HG   LYS  59           HG1      LYS  59   1.401  -8.785  -5.245
  459   1HD   LYS  59           HD2      LYS  59   3.296  -8.832  -6.770
  460   2HD   LYS  59           HD1      LYS  59   4.418  -8.562  -5.436
  461   1HE   LYS  59           HE2      LYS  59   3.454 -10.724  -4.406
  462   2HE   LYS  59           HE1      LYS  59   2.764 -11.029  -6.013
  463   1HZ   LYS  59           HZ3      LYS  59   5.074 -10.468  -6.872
  464   2HZ   LYS  59           HZ2      LYS  59   5.608 -10.681  -5.273
  465   3HZ   LYS  59           HZ1      LYS  59   4.886 -11.971  -6.110
  466    H    ALA  60           HN       ALA  60   1.576  -5.189  -2.469
  467    HA   ALA  60           HA       ALA  60   0.901  -7.322  -0.674
  468   1HB   ALA  60           HB2      ALA  60   2.251  -4.879  -0.640
  469   2HB   ALA  60           HB1      ALA  60   0.871  -4.616   0.427
  470   3HB   ALA  60           HB3      ALA  60   1.998  -5.933   0.751
  471    H    THR  61           HN       THR  61  -0.674  -4.206  -1.445
  472    HA   THR  61           HA       THR  61  -3.057  -4.741   0.094
  473    HB   THR  61           HB       THR  61  -2.687  -2.465  -0.458
  474    HG1  THR  61           HG1      THR  61  -4.312  -2.158  -2.295
  475   1HG2  THR  61          HG21      THR  61  -2.009  -3.530  -3.192
  476   2HG2  THR  61          HG23      THR  61  -2.420  -1.832  -2.962
  477   3HG2  THR  61          HG22      THR  61  -1.029  -2.524  -2.128
  478    H    ALA  62           HN       ALA  62  -1.952  -5.368  -3.113
  479    HA   ALA  62           HA       ALA  62  -4.417  -6.240  -4.289
  480   1HB   ALA  62           HB3      ALA  62  -1.478  -6.597  -4.788
  481   2HB   ALA  62           HB2      ALA  62  -2.627  -7.537  -5.738
  482   3HB   ALA  62           HB1      ALA  62  -2.676  -5.774  -5.784
  483    H    ASP  63           HN       ASP  63  -1.994  -7.784  -2.261
  484    HA   ASP  63           HA       ASP  63  -3.229 -10.454  -2.551
  485   1HB   ASP  63           HB2      ASP  63  -0.706  -9.760  -2.274
  486   2HB   ASP  63           HB1      ASP  63  -1.112  -9.656  -0.561
  487    H    ALA  64           HN       ALA  64  -3.655  -7.634  -0.697
  488    HA   ALA  64           HA       ALA  64  -4.545  -8.901   1.783
  489   1HB   ALA  64           HB3      ALA  64  -3.649  -6.440   1.073
  490   2HB   ALA  64           HB2      ALA  64  -5.387  -6.152   0.991
  491   3HB   ALA  64           HB1      ALA  64  -4.655  -6.706   2.497
  492    H    GLY  65           HN       GLY  65  -5.888  -7.910  -1.286
  493   1HA   GLY  65           HA2      GLY  65  -8.000  -9.375  -1.717
  494   2HA   GLY  65           HA1      GLY  65  -8.626  -8.545  -0.297
  495    H    TYR  66           HN       TYR  66  -6.603  -6.728  -2.532
  496    HA   TYR  66           HA       TYR  66  -9.024  -5.597  -3.851
  497   1HB   TYR  66           HB2      TYR  66  -6.975  -3.953  -2.349
  498   2HB   TYR  66           HB1      TYR  66  -8.464  -3.372  -3.087
  499    HD1  TYR  66           HD1      TYR  66 -10.644  -4.654  -2.282
  500    HD2  TYR  66           HD2      TYR  66  -6.952  -4.374  -0.128
  501    HE1  TYR  66           HE1      TYR  66 -11.852  -5.081  -0.176
  502    HE2  TYR  66           HE2      TYR  66  -8.147  -4.789   1.985
  503    HH   TYR  66           HH       TYR  66 -11.151  -6.084   2.180
  504    HA   PRO  67           HA       PRO  67  -5.761  -5.841  -7.042
  505   1HB   PRO  67           HB2      PRO  67  -7.789  -4.797  -8.828
  506   2HB   PRO  67           HB1      PRO  67  -7.102  -6.425  -8.800
  507   1HG   PRO  67           HG2      PRO  67  -9.726  -5.612  -7.972
  508   2HG   PRO  67           HG1      PRO  67  -9.030  -7.235  -7.930
  509   1HD   PRO  67           HD2      PRO  67  -9.615  -5.525  -5.692
  510   2HD   PRO  67           HD1      PRO  67  -8.840  -7.129  -5.657
  511    H    SER  68           HN       SER  68  -4.572  -4.025  -6.250
  512    HA   SER  68           HA       SER  68  -5.806  -1.337  -6.628
  513   1HB   SER  68           HB2      SER  68  -4.268  -0.675  -4.882
  514   2HB   SER  68           HB1      SER  68  -5.022  -2.190  -4.394
  515    HG   SER  68           HG       SER  68  -2.423  -1.625  -4.859
  516    H    SER  69           HN       SER  69  -3.623   0.248  -6.598
  517    HA   SER  69           HA       SER  69  -1.719  -0.505  -8.731
  518   1HB   SER  69           HB2      SER  69  -4.026   1.393  -8.939
  519   2HB   SER  69           HB1      SER  69  -2.518   1.851  -9.723
  520    HG   SER  69           HG       SER  69  -4.264   0.380 -10.787
  521    H    VAL  70           HN       VAL  70  -0.771   2.147  -9.104
  522    HA   VAL  70           HA       VAL  70  -0.193   3.057  -6.341
  523    HB   VAL  70           HB       VAL  70   1.365   1.323  -7.409
  524   1HG1  VAL  70          HG12      VAL  70   1.328   3.034  -9.532
  525   2HG1  VAL  70          HG11      VAL  70   2.808   3.550  -8.723
  526   3HG1  VAL  70          HG13      VAL  70   2.622   1.873  -9.235
  527   1HG2  VAL  70          HG21      VAL  70   1.872   3.649  -5.789
  528   2HG2  VAL  70          HG23      VAL  70   2.660   2.073  -5.719
  529   3HG2  VAL  70          HG22      VAL  70   3.288   3.326  -6.789
  530    H    LYS  71           HN       LYS  71   0.761   5.224  -6.240
  531    HA   LYS  71           HA       LYS  71   0.292   6.823  -8.736
  532   1HB   LYS  71           HB2      LYS  71  -0.135   8.120  -6.105
  533   2HB   LYS  71           HB1      LYS  71  -1.071   8.276  -7.587
  534   1HG   LYS  71           HG2      LYS  71  -1.822   5.827  -7.089
  535   2HG   LYS  71           HG1      LYS  71  -1.274   6.173  -5.447
  536   1HD   LYS  71           HD2      LYS  71  -2.702   8.196  -5.427
  537   2HD   LYS  71           HD1      LYS  71  -3.301   7.761  -7.028
  538   1HE   LYS  71           HE2      LYS  71  -3.961   5.491  -5.962
  539   2HE   LYS  71           HE1      LYS  71  -3.750   6.320  -4.407
  540   1HZ   LYS  71           HZ3      LYS  71  -5.250   7.664  -6.545
  541   2HZ   LYS  71           HZ2      LYS  71  -6.028   6.443  -5.655
  542   3HZ   LYS  71           HZ1      LYS  71  -5.409   7.813  -4.863
  543    H    GLN  72           HN       GLN  72   2.612   5.619  -7.415
  544    HA   GLN  72           HA       GLN  72   4.811   6.214  -6.666
  545   1HB   GLN  72           HB2      GLN  72   4.009   7.288  -9.170
  546   2HB   GLN  72           HB1      GLN  72   4.983   8.527  -8.378
  547   1HG   GLN  72           HG2      GLN  72   6.815   7.377  -9.003
  548   2HG   GLN  72           HG1      GLN  72   6.326   6.112  -7.876
  549   1HE2  GLN  72          HE22      GLN  72   6.374   4.112 -10.854
  550   2HE2  GLN  72          HE21      GLN  72   7.296   4.562  -9.502
   
  No H/Q in entry =         550
  Start of MODEL   15
    1   1H    ALA   1           HT3      ALA   1 -17.506   1.593  -2.077
    2   2H    ALA   1           HT2      ALA   1 -18.459   2.217  -0.817
    3   3H    ALA   1           HT1      ALA   1 -18.539   2.906  -2.368
    4    HA   ALA   1           HA       ALA   1 -17.161   4.421  -1.366
    5   1HB   ALA   1           HB2      ALA   1 -17.365   3.012   0.732
    6   2HB   ALA   1           HB1      ALA   1 -15.967   2.095   0.168
    7   3HB   ALA   1           HB3      ALA   1 -15.804   3.811   0.541
    8    H    THR   2           HN       THR   2 -15.099   5.095  -2.131
    9    HA   THR   2           HA       THR   2 -13.224   3.176  -3.285
   10    HB   THR   2           HB       THR   2 -13.543   5.027  -5.290
   11    HG1  THR   2           HG1      THR   2 -16.124   4.261  -4.438
   12   1HG2  THR   2          HG21      THR   2 -13.644   2.310  -5.022
   13   2HG2  THR   2          HG23      THR   2 -15.289   2.673  -5.542
   14   3HG2  THR   2          HG22      THR   2 -13.920   3.169  -6.537
   15    H    GLN   3           HN       GLN   3 -11.803   4.107  -1.690
   16    HA   GLN   3           HA       GLN   3 -11.277   7.046  -2.004
   17   1HB   GLN   3           HB2      GLN   3 -11.272   5.098   0.256
   18   2HB   GLN   3           HB1      GLN   3 -10.173   6.475   0.353
   19   1HG   GLN   3           HG2      GLN   3 -12.055   8.016  -0.038
   20   2HG   GLN   3           HG1      GLN   3 -13.160   6.646  -0.145
   21   1HE2  GLN   3          HE22      GLN   3 -13.605   7.480   3.334
   22   2HE2  GLN   3          HE21      GLN   3 -14.215   7.817   1.786
   23    H    THR   4           HN       THR   4  -8.904   7.459  -0.991
   24    HA   THR   4           HA       THR   4  -6.949   5.560  -2.207
   25    HB   THR   4           HB       THR   4  -7.202   8.537  -2.739
   26    HG1  THR   4           HG1      THR   4  -8.545   7.659  -4.125
   27   1HG2  THR   4          HG21      THR   4  -4.845   7.717  -2.574
   28   2HG2  THR   4          HG23      THR   4  -5.203   6.548  -3.845
   29   3HG2  THR   4          HG22      THR   4  -5.270   8.276  -4.191
   30    H    VAL   5           HN       VAL   5  -4.922   5.611  -1.180
   31    HA   VAL   5           HA       VAL   5  -4.297   7.650   0.888
   32    HB   VAL   5           HB       VAL   5  -4.521   4.717   1.565
   33   1HG1  VAL   5          HG13      VAL   5  -3.722   7.208   2.950
   34   2HG1  VAL   5          HG12      VAL   5  -4.723   6.094   3.881
   35   3HG1  VAL   5          HG11      VAL   5  -3.186   5.549   3.212
   36   1HG2  VAL   5          HG22      VAL   5  -6.506   6.971   2.012
   37   2HG2  VAL   5          HG21      VAL   5  -6.774   5.498   1.080
   38   3HG2  VAL   5          HG23      VAL   5  -6.589   5.412   2.832
   39    H    THR   6           HN       THR   6  -2.125   7.162   1.822
   40    HA   THR   6           HA       THR   6  -0.396   5.743  -0.167
   41    HB   THR   6           HB       THR   6   0.246   8.037  -0.042
   42    HG1  THR   6           HG1      THR   6   1.806   6.651   1.872
   43   1HG2  THR   6          HG21      THR   6  -0.175   7.691   2.926
   44   2HG2  THR   6          HG23      THR   6   0.637   9.096   2.236
   45   3HG2  THR   6          HG22      THR   6  -1.049   8.766   1.834
   46    H    LEU   7           HN       LEU   7   1.581   4.740   1.013
   47    HA   LEU   7           HA       LEU   7   0.750   3.781   3.712
   48   1HB   LEU   7           HB2      LEU   7   0.967   2.391   1.170
   49   2HB   LEU   7           HB1      LEU   7   2.038   1.667   2.373
   50    HG   LEU   7           HG       LEU   7   0.247   1.311   3.891
   51   1HD1  LEU   7          HD13      LEU   7  -1.244   3.197   2.110
   52   2HD1  LEU   7          HD12      LEU   7  -2.115   2.072   3.152
   53   3HD1  LEU   7          HD11      LEU   7  -1.022   3.258   3.854
   54   1HD2  LEU   7          HD23      LEU   7   0.288   0.054   1.474
   55   2HD2  LEU   7          HD22      LEU   7  -0.838  -0.370   2.762
   56   3HD2  LEU   7          HD21      LEU   7  -1.348   0.710   1.465
   57    H    ALA   8           HN       ALA   8   2.559   3.027   4.998
   58    HA   ALA   8           HA       ALA   8   5.127   4.344   4.181
   59   1HB   ALA   8           HB2      ALA   8   3.630   3.904   6.732
   60   2HB   ALA   8           HB1      ALA   8   5.388   4.018   6.815
   61   3HB   ALA   8           HB3      ALA   8   4.448   5.355   6.151
   62    H    VAL   9           HN       VAL   9   6.323   2.694   3.211
   63    HA   VAL   9           HA       VAL   9   6.614   0.132   4.747
   64    HB   VAL   9           HB       VAL   9   5.671  -0.281   2.594
   65   1HG1  VAL   9          HG13      VAL   9   7.420   1.988   1.823
   66   2HG1  VAL   9          HG12      VAL   9   7.224   0.727   0.605
   67   3HG1  VAL   9          HG11      VAL   9   5.808   1.562   1.246
   68   1HG2  VAL   9          HG21      VAL   9   8.339  -1.089   3.184
   69   2HG2  VAL   9          HG23      VAL   9   7.157  -1.923   2.177
   70   3HG2  VAL   9          HG22      VAL   9   8.264  -0.756   1.454
   71    HA   PRO  10           HA       PRO  10  10.715   2.161   5.085
   72   1HB   PRO  10           HB2      PRO  10  11.086   1.101   7.648
   73   2HB   PRO  10           HB1      PRO  10  10.435   2.701   7.278
   74   1HG   PRO  10           HG2      PRO  10   9.050   0.379   8.358
   75   2HG   PRO  10           HG1      PRO  10   8.472   2.041   8.204
   76   1HD   PRO  10           HD2      PRO  10   7.770  -0.247   6.572
   77   2HD   PRO  10           HD1      PRO  10   7.161   1.422   6.447
   78    H    GLY  11           HN       GLY  11  10.501  -0.200   3.560
   79   1HA   GLY  11           HA2      GLY  11  12.221  -2.219   4.890
   80   2HA   GLY  11           HA1      GLY  11  11.386  -2.434   3.351
   81    H    MET  12           HN       MET  12  12.356   0.361   2.605
   82    HA   MET  12           HA       MET  12  14.036   1.032   1.057
   83   1HB   MET  12           HB2      MET  12  16.272   1.072   2.445
   84   2HB   MET  12           HB1      MET  12  14.905   2.046   2.978
   85   1HG   MET  12           HG2      MET  12  14.249   0.260   4.553
   86   2HG   MET  12           HG1      MET  12  15.623  -0.710   4.023
   87   1HE   MET  12           HE2      MET  12  17.062  -1.114   5.281
   88   2HE   MET  12           HE1      MET  12  18.278  -0.057   5.994
   89   3HE   MET  12           HE3      MET  12  16.862  -0.544   6.936
   90    H    THR  13           HN       THR  13  13.477  -1.328   0.125
   91    HA   THR  13           HA       THR  13  15.804  -3.145   0.201
   92    HB   THR  13           HB       THR  13  14.003  -4.091  -1.669
   93    HG1  THR  13           HG1      THR  13  12.489  -2.895   0.390
   94   1HG2  THR  13          HG21      THR  13  15.012  -5.202   0.379
   95   2HG2  THR  13          HG23      THR  13  13.708  -4.471   1.315
   96   3HG2  THR  13          HG22      THR  13  13.336  -5.632   0.040
   97    H    CYS  14           HN       CYS  14  15.661  -0.322  -1.101
   98    HA   CYS  14           HA       CYS  14  16.754   0.658  -2.956
   99   1HB   CYS  14           HB2      CYS  14  18.124  -1.557  -2.446
  100   2HB   CYS  14           HB1      CYS  14  17.405  -2.093  -3.964
  101    HG   CYS  14           HG       CYS  14  19.291  -0.824  -4.980
  102    H    ALA  15           HN       ALA  15  14.752   1.345  -3.905
  103    HA   ALA  15           HA       ALA  15  13.037   1.365  -5.540
  104   1HB   ALA  15           HB2      ALA  15  15.553   0.663  -6.609
  105   2HB   ALA  15           HB1      ALA  15  14.395  -0.426  -7.373
  106   3HB   ALA  15           HB3      ALA  15  14.176   1.319  -7.495
  107    H    ALA  16           HN       ALA  16  13.013  -0.840  -3.504
  108    HA   ALA  16           HA       ALA  16  11.466  -2.857  -5.104
  109   1HB   ALA  16           HB1      ALA  16  13.782  -3.084  -3.376
  110   2HB   ALA  16           HB3      ALA  16  12.450  -4.057  -2.750
  111   3HB   ALA  16           HB2      ALA  16  13.037  -4.317  -4.393
  112    H    CYS  17           HN       CYS  17  11.912  -1.447  -1.852
  113    HA   CYS  17           HA       CYS  17   9.785  -2.478  -0.465
  114   1HB   CYS  17           HB2      CYS  17   9.559   0.254   0.144
  115   2HB   CYS  17           HB1      CYS  17  10.534  -0.937   0.978
  116    HG   CYS  17           HG       CYS  17  11.998   1.155   0.139
  117    HA   PRO  18           HA       PRO  18   6.366   0.465  -2.124
  118   1HB   PRO  18           HB2      PRO  18   7.171   2.075  -4.268
  119   2HB   PRO  18           HB1      PRO  18   6.990   2.596  -2.589
  120   1HG   PRO  18           HG2      PRO  18   9.454   2.040  -4.124
  121   2HG   PRO  18           HG1      PRO  18   9.225   3.065  -2.703
  122   1HD   PRO  18           HD2      PRO  18  10.458   0.554  -2.682
  123   2HD   PRO  18           HD1      PRO  18   9.763   1.377  -1.263
  124    H    ILE  19           HN       ILE  19   8.591  -1.198  -4.192
  125    HA   ILE  19           HA       ILE  19   6.836  -1.347  -6.527
  126    HB   ILE  19           HB       ILE  19   9.474  -2.399  -5.599
  127   1HG1  ILE  19          HG12      ILE  19  10.166  -1.557  -7.804
  128   2HG1  ILE  19          HG11      ILE  19   8.481  -1.252  -8.227
  129   1HG2  ILE  19          HG22      ILE  19   7.790  -3.723  -7.739
  130   2HG2  ILE  19          HG21      ILE  19   9.548  -3.866  -7.686
  131   3HG2  ILE  19          HG23      ILE  19   8.571  -4.485  -6.354
  132   1HD1  ILE  19          HD12      ILE  19   9.273  -0.047  -5.670
  133   2HD1  ILE  19          HD11      ILE  19  10.175   0.581  -7.048
  134   3HD1  ILE  19          HD13      ILE  19   8.414   0.671  -7.032
  135    H    THR  20           HN       THR  20   7.955  -3.750  -4.138
  136    HA   THR  20           HA       THR  20   6.039  -5.766  -4.895
  137    HB   THR  20           HB       THR  20   8.241  -5.263  -3.055
  138    HG1  THR  20           HG1      THR  20   8.543  -6.847  -4.465
  139   1HG2  THR  20          HG23      THR  20   6.398  -5.415  -1.374
  140   2HG2  THR  20          HG22      THR  20   6.032  -7.028  -1.988
  141   3HG2  THR  20          HG21      THR  20   7.591  -6.706  -1.228
  142    H    VAL  21           HN       VAL  21   6.273  -3.309  -2.358
  143    HA   VAL  21           HA       VAL  21   3.926  -3.914  -0.919
  144    HB   VAL  21           HB       VAL  21   5.563  -1.450  -1.496
  145   1HG1  VAL  21          HG13      VAL  21   3.213  -0.695  -1.246
  146   2HG1  VAL  21          HG12      VAL  21   3.112  -1.555   0.290
  147   3HG1  VAL  21          HG11      VAL  21   4.209  -0.185   0.118
  148   1HG2  VAL  21          HG22      VAL  21   5.190  -3.408   0.728
  149   2HG2  VAL  21          HG21      VAL  21   6.674  -2.688   0.106
  150   3HG2  VAL  21          HG23      VAL  21   5.613  -1.751   1.159
  151    H    LYS  22           HN       LYS  22   4.480  -1.861  -3.762
  152    HA   LYS  22           HA       LYS  22   1.899  -0.788  -4.123
  153   1HB   LYS  22           HB2      LYS  22   3.784  -0.111  -5.446
  154   2HB   LYS  22           HB1      LYS  22   4.041  -1.750  -6.037
  155   1HG   LYS  22           HG2      LYS  22   1.614  -1.523  -6.981
  156   2HG   LYS  22           HG1      LYS  22   1.880   0.209  -6.781
  157   1HD   LYS  22           HD2      LYS  22   3.991  -0.021  -8.115
  158   2HD   LYS  22           HD1      LYS  22   3.566  -1.705  -8.418
  159   1HE   LYS  22           HE2      LYS  22   2.078  -1.125 -10.032
  160   2HE   LYS  22           HE1      LYS  22   1.351   0.129  -9.006
  161   1HZ   LYS  22           HZ2      LYS  22   4.050   0.466 -10.161
  162   2HZ   LYS  22           HZ1      LYS  22   2.666   0.891 -11.049
  163   3HZ   LYS  22           HZ3      LYS  22   2.992   1.658  -9.571
  164    H    LYS  23           HN       LYS  23   3.203  -3.861  -5.422
  165    HA   LYS  23           HA       LYS  23   0.685  -4.696  -6.572
  166   1HB   LYS  23           HB2      LYS  23   3.308  -6.007  -5.876
  167   2HB   LYS  23           HB1      LYS  23   1.989  -6.914  -6.617
  168   1HG   LYS  23           HG2      LYS  23   1.956  -5.345  -8.507
  169   2HG   LYS  23           HG1      LYS  23   3.259  -4.413  -7.764
  170   1HD   LYS  23           HD2      LYS  23   4.196  -5.932  -9.431
  171   2HD   LYS  23           HD1      LYS  23   4.696  -6.443  -7.818
  172   1HE   LYS  23           HE2      LYS  23   2.140  -7.628  -8.703
  173   2HE   LYS  23           HE1      LYS  23   3.550  -8.128  -9.659
  174   1HZ   LYS  23           HZ3      LYS  23   3.940  -7.947  -6.782
  175   2HZ   LYS  23           HZ2      LYS  23   2.943  -9.216  -7.310
  176   3HZ   LYS  23           HZ1      LYS  23   4.536  -9.089  -7.885
  177    H    ALA  24           HN       ALA  24   1.802  -4.688  -3.347
  178    HA   ALA  24           HA       ALA  24   0.463  -7.103  -2.470
  179   1HB   ALA  24           HB1      ALA  24   2.426  -5.454  -1.515
  180   2HB   ALA  24           HB3      ALA  24   1.049  -4.944  -0.539
  181   3HB   ALA  24           HB2      ALA  24   1.566  -6.630  -0.522
  182    H    LEU  25           HN       LEU  25  -0.064  -3.752  -1.548
  183    HA   LEU  25           HA       LEU  25  -2.791  -4.182  -0.750
  184   1HB   LEU  25           HB2      LEU  25  -2.724  -1.550  -0.891
  185   2HB   LEU  25           HB1      LEU  25  -1.801  -2.380   0.347
  186    HG   LEU  25           HG       LEU  25  -0.717  -0.486  -1.082
  187   1HD1  LEU  25          HD13      LEU  25   0.624  -3.049  -0.320
  188   2HD1  LEU  25          HD12      LEU  25   1.506  -1.641  -0.906
  189   3HD1  LEU  25          HD11      LEU  25   0.556  -1.535   0.565
  190   1HD2  LEU  25          HD22      LEU  25  -1.374  -1.704  -3.218
  191   2HD2  LEU  25          HD21      LEU  25   0.240  -1.016  -3.123
  192   3HD2  LEU  25          HD23      LEU  25   0.008  -2.744  -2.902
  193    H    SER  26           HN       SER  26  -1.263  -3.846  -3.761
  194    HA   SER  26           HA       SER  26  -3.502  -2.612  -5.213
  195   1HB   SER  26           HB2      SER  26  -1.338  -2.328  -6.151
  196   2HB   SER  26           HB1      SER  26  -0.918  -4.018  -5.907
  197    HG   SER  26           HG       SER  26  -2.013  -4.555  -7.660
  198    H    LYS  27           HN       LYS  27  -2.381  -5.860  -4.378
  199    HA   LYS  27           HA       LYS  27  -4.684  -6.992  -5.909
  200   1HB   LYS  27           HB2      LYS  27  -3.337  -9.032  -5.979
  201   2HB   LYS  27           HB1      LYS  27  -2.348  -7.675  -6.520
  202   1HG   LYS  27           HG2      LYS  27  -0.926  -8.738  -4.990
  203   2HG   LYS  27           HG1      LYS  27  -1.681  -7.495  -3.994
  204   1HD   LYS  27           HD2      LYS  27  -2.907  -8.987  -2.795
  205   2HD   LYS  27           HD1      LYS  27  -3.122 -10.073  -4.169
  206   1HE   LYS  27           HE2      LYS  27  -0.415 -10.263  -3.781
  207   2HE   LYS  27           HE1      LYS  27  -0.994 -10.054  -2.116
  208   1HZ   LYS  27           HZ1      LYS  27  -2.849 -11.696  -3.086
  209   2HZ   LYS  27           HZ3      LYS  27  -1.514 -12.212  -3.997
  210   3HZ   LYS  27           HZ2      LYS  27  -1.446 -12.245  -2.300
  211    H    VAL  28           HN       VAL  28  -4.092  -5.940  -2.915
  212    HA   VAL  28           HA       VAL  28  -4.438  -8.031  -1.087
  213    HB   VAL  28           HB       VAL  28  -3.998  -5.754  -0.419
  214   1HG1  VAL  28          HG13      VAL  28  -5.595  -4.944  -2.389
  215   2HG1  VAL  28          HG12      VAL  28  -6.773  -4.861  -1.080
  216   3HG1  VAL  28          HG11      VAL  28  -5.284  -3.920  -0.987
  217   1HG2  VAL  28          HG21      VAL  28  -6.389  -7.177   0.571
  218   2HG2  VAL  28          HG23      VAL  28  -5.010  -6.535   1.464
  219   3HG2  VAL  28          HG22      VAL  28  -6.331  -5.466   0.992
  220    H    GLU  29           HN       GLU  29  -7.139  -6.146  -2.600
  221    HA   GLU  29           HA       GLU  29  -8.782  -8.455  -2.969
  222   1HB   GLU  29           HB2      GLU  29  -8.912  -8.709  -0.642
  223   2HB   GLU  29           HB1      GLU  29  -8.879  -6.970  -0.355
  224   1HG   GLU  29           HG2      GLU  29 -11.119  -6.777  -0.559
  225   2HG   GLU  29           HG1      GLU  29 -11.168  -7.841  -1.965
  226    H    GLY  30           HN       GLY  30 -10.070  -5.548  -1.446
  227   1HA   GLY  30           HA2      GLY  30 -11.766  -5.011  -3.739
  228   2HA   GLY  30           HA1      GLY  30 -11.660  -4.025  -2.281
  229    H    VAL  31           HN       VAL  31  -8.580  -4.090  -2.890
  230    HA   VAL  31           HA       VAL  31  -8.140  -1.517  -3.784
  231    HB   VAL  31           HB       VAL  31  -6.366  -2.994  -3.074
  232   1HG1  VAL  31          HG11      VAL  31  -7.458  -5.042  -4.122
  233   2HG1  VAL  31          HG13      VAL  31  -6.758  -4.526  -5.657
  234   3HG1  VAL  31          HG12      VAL  31  -5.706  -4.948  -4.306
  235   1HG2  VAL  31          HG23      VAL  31  -6.290  -1.389  -5.414
  236   2HG2  VAL  31          HG22      VAL  31  -4.948  -1.797  -4.346
  237   3HG2  VAL  31          HG21      VAL  31  -5.306  -2.813  -5.742
  238    H    SER  32           HN       SER  32  -8.109  -0.429  -5.637
  239    HA   SER  32           HA       SER  32  -8.965  -1.865  -8.125
  240   1HB   SER  32           HB2      SER  32  -9.958   0.613  -6.760
  241   2HB   SER  32           HB1      SER  32 -10.090   0.497  -8.514
  242    HG   SER  32           HG       SER  32 -10.969  -1.738  -7.879
  243    H    LYS  33           HN       LYS  33  -6.703   0.209  -6.633
  244    HA   LYS  33           HA       LYS  33  -5.290   0.541  -9.209
  245   1HB   LYS  33           HB2      LYS  33  -6.458   2.471  -9.581
  246   2HB   LYS  33           HB1      LYS  33  -6.919   2.633  -7.892
  247   1HG   LYS  33           HG2      LYS  33  -4.855   3.668  -7.318
  248   2HG   LYS  33           HG1      LYS  33  -4.095   3.163  -8.826
  249   1HD   LYS  33           HD2      LYS  33  -6.530   4.793  -9.175
  250   2HD   LYS  33           HD1      LYS  33  -5.183   5.641  -8.415
  251   1HE   LYS  33           HE2      LYS  33  -3.793   5.383 -10.285
  252   2HE   LYS  33           HE1      LYS  33  -4.699   3.980 -10.884
  253   1HZ   LYS  33           HZ3      LYS  33  -6.627   5.797 -10.812
  254   2HZ   LYS  33           HZ2      LYS  33  -5.307   6.819 -11.127
  255   3HZ   LYS  33           HZ1      LYS  33  -5.666   5.539 -12.185
  256    H    VAL  34           HN       VAL  34  -3.094   1.592  -8.824
  257    HA   VAL  34           HA       VAL  34  -2.161   1.898  -6.077
  258    HB   VAL  34           HB       VAL  34  -2.580  -0.586  -6.470
  259   1HG1  VAL  34          HG12      VAL  34  -1.258  -0.107  -8.838
  260   2HG1  VAL  34          HG11      VAL  34   0.012  -0.830  -7.850
  261   3HG1  VAL  34          HG13      VAL  34  -1.496  -1.703  -8.126
  262   1HG2  VAL  34          HG23      VAL  34  -0.558   0.781  -5.101
  263   2HG2  VAL  34          HG22      VAL  34  -1.054  -0.889  -4.839
  264   3HG2  VAL  34          HG21      VAL  34   0.279  -0.529  -5.931
  265    H    ASP  35           HN       ASP  35   0.067   2.555  -5.971
  266    HA   ASP  35           HA       ASP  35   1.666   2.700  -8.443
  267   1HB   ASP  35           HB2      ASP  35  -0.151   4.717  -7.881
  268   2HB   ASP  35           HB1      ASP  35   1.352   5.347  -7.206
  269    H    VAL  36           HN       VAL  36   3.815   3.904  -7.873
  270    HA   VAL  36           HA       VAL  36   4.561   3.151  -5.070
  271    HB   VAL  36           HB       VAL  36   6.906   3.188  -6.188
  272   1HG1  VAL  36          HG12      VAL  36   4.855   1.242  -6.000
  273   2HG1  VAL  36          HG11      VAL  36   5.626   1.017  -7.568
  274   3HG1  VAL  36          HG13      VAL  36   6.592   0.967  -6.094
  275   1HG2  VAL  36          HG21      VAL  36   5.642   4.347  -8.258
  276   2HG2  VAL  36          HG23      VAL  36   7.066   3.330  -8.480
  277   3HG2  VAL  36          HG22      VAL  36   5.455   2.660  -8.739
  278    H    GLY  37           HN       GLY  37   5.872   4.584  -3.855
  279   1HA   GLY  37           HA2      GLY  37   6.372   7.286  -4.977
  280   2HA   GLY  37           HA1      GLY  37   5.413   7.166  -3.502
  281    H    PHE  38           HN       PHE  38   8.497   5.866  -4.790
  282    HA   PHE  38           HA       PHE  38   9.703   5.304  -2.290
  283   1HB   PHE  38           HB2      PHE  38  10.332   5.161  -4.979
  284   2HB   PHE  38           HB1      PHE  38  11.495   6.341  -4.374
  285    HD1  PHE  38           HD2      PHE  38  12.554   5.676  -1.988
  286    HD2  PHE  38           HD1      PHE  38  10.919   2.915  -4.843
  287    HE1  PHE  38           HE2      PHE  38  13.884   3.843  -0.978
  288    HE2  PHE  38           HE1      PHE  38  12.243   1.082  -3.829
  289    HZ   PHE  38           HZ       PHE  38  13.732   1.545  -1.901
  290    H    GLU  39           HN       GLU  39   8.963   8.356  -3.725
  291    HA   GLU  39           HA       GLU  39  10.941  10.117  -2.881
  292   1HB   GLU  39           HB2      GLU  39   8.703  10.552  -4.030
  293   2HB   GLU  39           HB1      GLU  39   7.970  10.515  -2.426
  294   1HG   GLU  39           HG2      GLU  39  10.215  12.208  -2.201
  295   2HG   GLU  39           HG1      GLU  39   9.417  12.665  -3.707
  296    H    LYS  40           HN       LYS  40   8.557   8.411  -0.921
  297    HA   LYS  40           HA       LYS  40  10.076   9.168   1.529
  298   1HB   LYS  40           HB2      LYS  40   7.646  10.307   0.736
  299   2HB   LYS  40           HB1      LYS  40   7.184   9.090   1.926
  300   1HG   LYS  40           HG2      LYS  40   9.388  11.113   2.399
  301   2HG   LYS  40           HG1      LYS  40   7.714  11.375   2.892
  302   1HD   LYS  40           HD2      LYS  40   7.801   9.767   4.544
  303   2HD   LYS  40           HD1      LYS  40   9.001   8.800   3.688
  304   1HE   LYS  40           HE2      LYS  40   9.982  11.472   4.471
  305   2HE   LYS  40           HE1      LYS  40   9.571  10.424   5.842
  306   1HZ   LYS  40           HZ1      LYS  40  10.789   8.756   4.044
  307   2HZ   LYS  40           HZ3      LYS  40  11.713  10.175   3.957
  308   3HZ   LYS  40           HZ2      LYS  40  11.495   9.394   5.449
  309    H    ARG  41           HN       ARG  41  10.084   6.703   0.045
  310    HA   ARG  41           HA       ARG  41   9.640   4.386   0.290
  311   1HB   ARG  41           HB2      ARG  41  10.699   5.651   2.589
  312   2HB   ARG  41           HB1      ARG  41   9.507   4.488   3.171
  313   1HG   ARG  41           HG2      ARG  41  11.236   3.012   2.961
  314   2HG   ARG  41           HG1      ARG  41  10.743   3.000   1.267
  315   1HD   ARG  41           HD2      ARG  41  13.195   3.391   1.506
  316   2HD   ARG  41           HD1      ARG  41  12.387   4.792   0.777
  317    HE   ARG  41           HE       ARG  41  12.261   5.234   3.536
  318   1HH1  ARG  41          HH21      ARG  41  14.702   4.659   1.162
  319   2HH1  ARG  41          HH22      ARG  41  15.910   5.580   1.993
  320   1HH2  ARG  41          HH11      ARG  41  13.830   6.434   4.631
  321   2HH2  ARG  41          HH12      ARG  41  15.419   6.578   3.958
  322    H    GLU  42           HN       GLU  42   7.252   5.431  -0.371
  323    HA   GLU  42           HA       GLU  42   5.373   4.075   1.505
  324   1HB   GLU  42           HB2      GLU  42   3.873   6.119   1.190
  325   2HB   GLU  42           HB1      GLU  42   5.327   6.395   2.150
  326   1HG   GLU  42           HG2      GLU  42   6.483   7.280   0.162
  327   2HG   GLU  42           HG1      GLU  42   5.036   7.001  -0.808
  328    H    ALA  43           HN       ALA  43   3.143   3.826   0.409
  329    HA   ALA  43           HA       ALA  43   3.463   3.644  -2.576
  330   1HB   ALA  43           HB1      ALA  43   2.346   1.666  -0.565
  331   2HB   ALA  43           HB3      ALA  43   2.140   1.492  -2.308
  332   3HB   ALA  43           HB2      ALA  43   3.756   1.449  -1.602
  333    H    VAL  44           HN       VAL  44   1.654   4.423  -3.717
  334    HA   VAL  44           HA       VAL  44  -0.601   5.423  -2.018
  335    HB   VAL  44           HB       VAL  44   0.834   6.997  -3.360
  336   1HG1  VAL  44          HG12      VAL  44   0.741   5.097  -5.288
  337   2HG1  VAL  44          HG11      VAL  44  -0.543   6.166  -5.852
  338   3HG1  VAL  44          HG13      VAL  44   1.089   6.793  -5.623
  339   1HG2  VAL  44          HG21      VAL  44  -1.948   6.927  -3.051
  340   2HG2  VAL  44          HG23      VAL  44  -0.983   8.336  -3.489
  341   3HG2  VAL  44          HG22      VAL  44  -1.705   7.336  -4.749
  342    H    VAL  45           HN       VAL  45  -2.217   3.917  -2.033
  343    HA   VAL  45           HA       VAL  45  -2.946   2.709  -4.669
  344    HB   VAL  45           HB       VAL  45  -3.318   1.562  -1.898
  345   1HG1  VAL  45          HG11      VAL  45  -4.587   0.784  -4.090
  346   2HG1  VAL  45          HG13      VAL  45  -3.051  -0.010  -4.436
  347   3HG1  VAL  45          HG12      VAL  45  -3.938  -0.406  -2.963
  348   1HG2  VAL  45          HG23      VAL  45  -0.911   1.954  -3.412
  349   2HG2  VAL  45          HG22      VAL  45  -1.108   1.145  -1.858
  350   3HG2  VAL  45          HG21      VAL  45  -1.276   0.234  -3.355
  351    H    THR  46           HN       THR  46  -5.119   2.435  -5.118
  352    HA   THR  46           HA       THR  46  -7.064   4.000  -3.454
  353    HB   THR  46           HB       THR  46  -6.568   3.576  -6.388
  354    HG1  THR  46           HG1      THR  46  -7.373   5.879  -6.169
  355   1HG2  THR  46          HG21      THR  46  -9.255   3.993  -5.091
  356   2HG2  THR  46          HG23      THR  46  -8.926   4.615  -6.708
  357   3HG2  THR  46          HG22      THR  46  -8.818   2.884  -6.391
  358    H    PHE  47           HN       PHE  47  -9.272   2.960  -3.391
  359    HA   PHE  47           HA       PHE  47  -9.570   0.266  -4.410
  360   1HB   PHE  47           HB2      PHE  47  -9.432  -0.861  -2.218
  361   2HB   PHE  47           HB1      PHE  47  -7.905  -0.078  -2.623
  362    HD1  PHE  47           HD2      PHE  47 -11.037   0.295  -0.598
  363    HD2  PHE  47           HD1      PHE  47  -7.027   1.691  -1.314
  364    HE1  PHE  47           HE2      PHE  47 -11.127   1.619   1.481
  365    HE2  PHE  47           HE1      PHE  47  -7.122   3.017   0.775
  366    HZ   PHE  47           HZ       PHE  47  -9.161   2.980   2.173
  367    H    ASP  48           HN       ASP  48 -11.370  -0.851  -2.963
  368    HA   ASP  48           HA       ASP  48 -13.552   1.171  -2.713
  369   1HB   ASP  48           HB2      ASP  48 -13.392  -1.782  -3.358
  370   2HB   ASP  48           HB1      ASP  48 -14.920  -1.045  -2.873
  371    H    ASP  49           HN       ASP  49 -14.141   1.605  -0.612
  372    HA   ASP  49           HA       ASP  49 -12.896   0.075   1.540
  373   1HB   ASP  49           HB2      ASP  49 -13.341   2.591   1.363
  374   2HB   ASP  49           HB1      ASP  49 -15.015   2.215   1.772
  375    H    THR  50           HN       THR  50 -14.778  -1.513  -0.014
  376    HA   THR  50           HA       THR  50 -16.935  -1.993   2.006
  377    HB   THR  50           HB       THR  50 -17.928  -3.182  -0.108
  378    HG1  THR  50           HG1      THR  50 -15.897  -2.957  -1.243
  379   1HG2  THR  50          HG21      THR  50 -18.201  -0.659   0.983
  380   2HG2  THR  50          HG23      THR  50 -17.873  -0.315  -0.715
  381   3HG2  THR  50          HG22      THR  50 -19.234  -1.345  -0.271
  382    H    LYS  51           HN       LYS  51 -14.243  -3.314   0.217
  383    HA   LYS  51           HA       LYS  51 -14.626  -5.930   1.630
  384   1HB   LYS  51           HB2      LYS  51 -13.753  -5.280  -1.196
  385   2HB   LYS  51           HB1      LYS  51 -13.503  -6.868  -0.471
  386   1HG   LYS  51           HG2      LYS  51 -16.196  -6.156   0.056
  387   2HG   LYS  51           HG1      LYS  51 -15.901  -5.791  -1.644
  388   1HD   LYS  51           HD2      LYS  51 -14.671  -8.182  -1.510
  389   2HD   LYS  51           HD1      LYS  51 -15.870  -8.414  -0.237
  390   1HE   LYS  51           HE2      LYS  51 -17.567  -7.468  -1.998
  391   2HE   LYS  51           HE1      LYS  51 -16.316  -7.917  -3.175
  392   1HZ   LYS  51           HZ2      LYS  51 -16.938  -9.827  -1.048
  393   2HZ   LYS  51           HZ1      LYS  51 -18.068  -9.671  -2.308
  394   3HZ   LYS  51           HZ3      LYS  51 -16.468 -10.113  -2.656
  395    H    ALA  52           HN       ALA  52 -12.716  -3.204   1.338
  396    HA   ALA  52           HA       ALA  52 -10.587  -4.225   2.953
  397   1HB   ALA  52           HB2      ALA  52 -10.450  -5.230   0.441
  398   2HB   ALA  52           HB1      ALA  52  -9.533  -3.740   0.213
  399   3HB   ALA  52           HB3      ALA  52  -9.018  -4.916   1.422
  400    H    SER  53           HN       SER  53  -8.611  -2.595   2.788
  401    HA   SER  53           HA       SER  53  -8.842  -0.044   1.593
  402   1HB   SER  53           HB2      SER  53  -9.701   1.160   3.714
  403   2HB   SER  53           HB1      SER  53 -10.894   0.292   2.756
  404    HG   SER  53           HG       SER  53 -10.952  -1.290   4.238
  405    H    VAL  54           HN       VAL  54  -7.822   1.639   3.510
  406    HA   VAL  54           HA       VAL  54  -5.134   1.252   3.688
  407    HB   VAL  54           HB       VAL  54  -7.160   2.411   5.585
  408   1HG1  VAL  54          HG12      VAL  54  -4.201   2.091   6.022
  409   2HG1  VAL  54          HG11      VAL  54  -5.031   3.525   6.628
  410   3HG1  VAL  54          HG13      VAL  54  -5.518   1.924   7.182
  411   1HG2  VAL  54          HG22      VAL  54  -6.639   3.499   3.410
  412   2HG2  VAL  54          HG21      VAL  54  -6.178   4.508   4.780
  413   3HG2  VAL  54          HG23      VAL  54  -4.947   3.611   3.891
  414    H    GLN  55           HN       GLN  55  -7.487  -0.219   5.948
  415    HA   GLN  55           HA       GLN  55  -5.654  -1.400   7.761
  416   1HB   GLN  55           HB2      GLN  55  -8.024  -1.323   8.187
  417   2HB   GLN  55           HB1      GLN  55  -8.375  -2.231   6.716
  418   1HG   GLN  55           HG2      GLN  55  -8.535  -3.822   8.480
  419   2HG   GLN  55           HG1      GLN  55  -6.966  -4.120   7.732
  420   1HE2  GLN  55          HE22      GLN  55  -6.937  -2.117  11.337
  421   2HE2  GLN  55          HE21      GLN  55  -8.198  -1.814  10.242
  422    H    LYS  56           HN       LYS  56  -7.093  -2.821   4.801
  423    HA   LYS  56           HA       LYS  56  -5.406  -5.204   4.981
  424   1HB   LYS  56           HB2      LYS  56  -7.321  -4.105   2.903
  425   2HB   LYS  56           HB1      LYS  56  -6.589  -5.707   2.822
  426   1HG   LYS  56           HG2      LYS  56  -8.156  -4.780   5.233
  427   2HG   LYS  56           HG1      LYS  56  -8.926  -5.582   3.862
  428   1HD   LYS  56           HD2      LYS  56  -7.026  -7.366   4.195
  429   2HD   LYS  56           HD1      LYS  56  -6.933  -6.685   5.820
  430   1HE   LYS  56           HE2      LYS  56  -9.314  -7.143   6.189
  431   2HE   LYS  56           HE1      LYS  56  -9.469  -7.756   4.530
  432   1HZ   LYS  56           HZ3      LYS  56  -7.485  -9.233   5.184
  433   2HZ   LYS  56           HZ2      LYS  56  -7.940  -8.893   6.785
  434   3HZ   LYS  56           HZ1      LYS  56  -9.028  -9.670   5.736
  435    H    LEU  57           HN       LEU  57  -5.023  -2.055   3.520
  436    HA   LEU  57           HA       LEU  57  -3.231  -2.926   1.392
  437   1HB   LEU  57           HB2      LEU  57  -3.548  -0.236   2.763
  438   2HB   LEU  57           HB1      LEU  57  -2.806  -0.516   1.191
  439    HG   LEU  57           HG       LEU  57  -5.691  -1.208   1.816
  440   1HD1  LEU  57          HD12      LEU  57  -4.420   1.343   1.419
  441   2HD1  LEU  57          HD11      LEU  57  -5.463   0.995   0.041
  442   3HD1  LEU  57          HD13      LEU  57  -6.130   0.996   1.674
  443   1HD2  LEU  57          HD22      LEU  57  -4.363  -2.286  -0.154
  444   2HD2  LEU  57          HD21      LEU  57  -5.924  -1.550  -0.517
  445   3HD2  LEU  57          HD23      LEU  57  -4.433  -0.682  -0.882
  446    H    THR  58           HN       THR  58  -2.722  -1.114   4.440
  447    HA   THR  58           HA       THR  58   0.099  -1.303   4.547
  448    HB   THR  58           HB       THR  58  -2.083  -1.235   6.651
  449    HG1  THR  58           HG1      THR  58  -2.007   0.676   5.681
  450   1HG2  THR  58          HG23      THR  58   0.114  -2.266   7.457
  451   2HG2  THR  58          HG22      THR  58   0.847  -0.692   7.145
  452   3HG2  THR  58          HG21      THR  58  -0.445  -0.843   8.336
  453    H    LYS  59           HN       LYS  59  -2.428  -3.637   5.322
  454    HA   LYS  59           HA       LYS  59  -0.719  -5.520   6.665
  455   1HB   LYS  59           HB2      LYS  59  -3.220  -5.277   6.857
  456   2HB   LYS  59           HB1      LYS  59  -3.351  -5.940   5.227
  457   1HG   LYS  59           HG2      LYS  59  -1.628  -7.618   6.818
  458   2HG   LYS  59           HG1      LYS  59  -3.164  -7.384   7.652
  459   1HD   LYS  59           HD2      LYS  59  -4.064  -7.798   5.129
  460   2HD   LYS  59           HD1      LYS  59  -2.596  -8.776   5.095
  461   1HE   LYS  59           HE2      LYS  59  -3.487  -9.648   7.434
  462   2HE   LYS  59           HE1      LYS  59  -5.052  -9.119   6.786
  463   1HZ   LYS  59           HZ1      LYS  59  -4.206 -10.286   4.649
  464   2HZ   LYS  59           HZ3      LYS  59  -3.185 -11.128   5.711
  465   3HZ   LYS  59           HZ2      LYS  59  -4.871 -11.224   5.900
  466    H    ALA  60           HN       ALA  60  -1.757  -5.021   3.306
  467    HA   ALA  60           HA       ALA  60  -0.752  -7.498   2.284
  468   1HB   ALA  60           HB2      ALA  60  -2.390  -5.757   1.288
  469   2HB   ALA  60           HB1      ALA  60  -0.942  -4.883   0.788
  470   3HB   ALA  60           HB3      ALA  60  -1.245  -6.509   0.177
  471    H    THR  61           HN       THR  61   0.678  -4.288   2.746
  472    HA   THR  61           HA       THR  61   3.174  -4.952   1.421
  473    HB   THR  61           HB       THR  61   2.352  -2.645   1.616
  474    HG1  THR  61           HG1      THR  61   4.284  -1.907   3.015
  475   1HG2  THR  61          HG22      THR  61   2.535  -3.203   4.585
  476   2HG2  THR  61          HG21      THR  61   2.393  -1.582   3.911
  477   3HG2  THR  61          HG23      THR  61   1.100  -2.751   3.665
  478    H    ALA  62           HN       ALA  62   1.903  -4.997   4.666
  479    HA   ALA  62           HA       ALA  62   4.336  -5.587   6.059
  480   1HB   ALA  62           HB3      ALA  62   1.395  -5.733   6.513
  481   2HB   ALA  62           HB2      ALA  62   2.398  -6.721   7.575
  482   3HB   ALA  62           HB1      ALA  62   2.642  -4.976   7.505
  483    H    ASP  63           HN       ASP  63   1.973  -7.507   4.297
  484    HA   ASP  63           HA       ASP  63   3.275 -10.053   5.061
  485   1HB   ASP  63           HB2      ASP  63   0.748  -9.593   4.806
  486   2HB   ASP  63           HB1      ASP  63   1.046  -9.565   3.068
  487    H    ALA  64           HN       ALA  64   3.667  -7.596   2.778
  488    HA   ALA  64           HA       ALA  64   4.541  -9.300   0.544
  489   1HB   ALA  64           HB1      ALA  64   3.371  -7.067   0.355
  490   2HB   ALA  64           HB3      ALA  64   4.814  -6.314   1.031
  491   3HB   ALA  64           HB2      ALA  64   4.897  -7.138  -0.525
  492    H    GLY  65           HN       GLY  65   5.856  -7.780   3.363
  493   1HA   GLY  65           HA2      GLY  65   8.120  -8.909   3.920
  494   2HA   GLY  65           HA1      GLY  65   8.630  -8.256   2.366
  495    H    TYR  66           HN       TYR  66   6.465  -6.223   4.161
  496    HA   TYR  66           HA       TYR  66   8.703  -4.764   5.456
  497   1HB   TYR  66           HB2      TYR  66   6.847  -3.448   3.465
  498   2HB   TYR  66           HB1      TYR  66   8.276  -2.749   4.216
  499    HD1  TYR  66           HD1      TYR  66  10.516  -4.032   3.794
  500    HD2  TYR  66           HD2      TYR  66   6.980  -4.377   1.405
  501    HE1  TYR  66           HE1      TYR  66  11.885  -4.798   1.890
  502    HE2  TYR  66           HE2      TYR  66   8.331  -5.140  -0.503
  503    HH   TYR  66           HH       TYR  66  10.880  -6.415  -0.564
  504    HA   PRO  67           HA       PRO  67   5.080  -4.429   8.200
  505   1HB   PRO  67           HB2      PRO  67   6.828  -3.050  10.033
  506   2HB   PRO  67           HB1      PRO  67   6.195  -4.693  10.173
  507   1HG   PRO  67           HG2      PRO  67   8.888  -3.891   9.580
  508   2HG   PRO  67           HG1      PRO  67   8.249  -5.532   9.717
  509   1HD   PRO  67           HD2      PRO  67   9.072  -4.155   7.320
  510   2HD   PRO  67           HD1      PRO  67   8.403  -5.800   7.457
  511    H    SER  68           HN       SER  68   4.029  -2.799   6.914
  512    HA   SER  68           HA       SER  68   5.167  -0.046   7.083
  513   1HB   SER  68           HB2      SER  68   4.820  -0.254   4.858
  514   2HB   SER  68           HB1      SER  68   3.877  -1.721   5.085
  515    HG   SER  68           HG       SER  68   3.065   0.851   4.677
  516    H    SER  69           HN       SER  69   3.084   1.525   6.576
  517    HA   SER  69           HA       SER  69   0.849   0.951   8.437
  518   1HB   SER  69           HB2      SER  69   1.365   2.767   9.820
  519   2HB   SER  69           HB1      SER  69   2.981   2.194   9.419
  520    HG   SER  69           HG       SER  69   2.661   4.479   9.105
  521    H    VAL  70           HN       VAL  70  -0.133   3.630   8.253
  522    HA   VAL  70           HA       VAL  70  -0.391   4.054   5.324
  523    HB   VAL  70           HB       VAL  70  -2.030   2.458   6.480
  524   1HG1  VAL  70          HG11      VAL  70  -2.286   4.413   8.312
  525   2HG1  VAL  70          HG13      VAL  70  -3.602   4.876   7.233
  526   3HG1  VAL  70          HG12      VAL  70  -3.587   3.272   7.967
  527   1HG2  VAL  70          HG21      VAL  70  -2.343   4.416   4.417
  528   2HG2  VAL  70          HG23      VAL  70  -3.163   2.862   4.568
  529   3HG2  VAL  70          HG22      VAL  70  -3.870   4.306   5.291
  530    H    LYS  71           HN       LYS  71  -1.297   6.175   4.770
  531    HA   LYS  71           HA       LYS  71  -1.103   8.127   7.051
  532   1HB   LYS  71           HB2      LYS  71  -0.412   8.950   4.266
  533   2HB   LYS  71           HB1      LYS  71   0.300   9.472   5.790
  534   1HG   LYS  71           HG2      LYS  71   1.424   7.303   6.029
  535   2HG   LYS  71           HG1      LYS  71   0.695   6.750   4.521
  536   1HD   LYS  71           HD2      LYS  71   1.964   8.223   3.216
  537   2HD   LYS  71           HD1      LYS  71   2.330   9.271   4.588
  538   1HE   LYS  71           HE2      LYS  71   3.322   6.654   5.203
  539   2HE   LYS  71           HE1      LYS  71   3.904   7.103   3.588
  540   1HZ   LYS  71           HZ2      LYS  71   3.912   9.086   5.769
  541   2HZ   LYS  71           HZ1      LYS  71   5.179   7.959   5.652
  542   3HZ   LYS  71           HZ3      LYS  71   4.876   9.028   4.371
  543    H    GLN  72           HN       GLN  72  -3.325   6.748   5.792
  544    HA   GLN  72           HA       GLN  72  -5.017   8.010   4.047
  545   1HB   GLN  72           HB2      GLN  72  -6.828   7.188   5.455
  546   2HB   GLN  72           HB1      GLN  72  -5.482   6.054   5.571
  547   1HG   GLN  72           HG2      GLN  72  -4.749   7.097   7.665
  548   2HG   GLN  72           HG1      GLN  72  -6.051   8.281   7.547
  549   1HE2  GLN  72          HE22      GLN  72  -7.555   5.811   9.736
  550   2HE2  GLN  72          HE21      GLN  72  -6.517   7.153   9.786
   
  No H/Q in entry =         550
  Start of MODEL   16
    1   1H    ALA   1           HT2      ALA   1  17.999   3.442   0.761
    2   2H    ALA   1           HT1      ALA   1  18.512   3.613  -0.849
    3   3H    ALA   1           HT3      ALA   1  17.345   4.668  -0.216
    4    HA   ALA   1           HA       ALA   1  16.159   3.123  -1.551
    5   1HB   ALA   1           HB1      ALA   1  18.377   1.613  -1.084
    6   2HB   ALA   1           HB3      ALA   1  17.204   0.785  -0.060
    7   3HB   ALA   1           HB2      ALA   1  16.893   0.968  -1.787
    8    H    THR   2           HN       THR   2  14.683   4.287  -0.017
    9    HA   THR   2           HA       THR   2  12.968   2.654   1.365
   10    HB   THR   2           HB       THR   2  14.632   2.182   2.943
   11    HG1  THR   2           HG1      THR   2  13.485   4.391   4.205
   12   1HG2  THR   2          HG22      THR   2  16.067   4.180   2.107
   13   2HG2  THR   2          HG21      THR   2  15.255   5.084   3.382
   14   3HG2  THR   2          HG23      THR   2  16.237   3.678   3.787
   15    H    GLN   3           HN       GLN   3  11.317   3.910   0.840
   16    HA   GLN   3           HA       GLN   3  11.245   6.703   1.901
   17   1HB   GLN   3           HB2      GLN   3  10.397   7.429  -0.362
   18   2HB   GLN   3           HB1      GLN   3  12.076   6.890  -0.365
   19   1HG   GLN   3           HG2      GLN   3  11.618   5.142  -1.725
   20   2HG   GLN   3           HG1      GLN   3  10.189   4.693  -0.792
   21   1HE2  GLN   3          HE22      GLN   3   8.871   5.771  -4.067
   22   2HE2  GLN   3          HE21      GLN   3   9.752   4.460  -3.443
   23    H    THR   4           HN       THR   4   8.944   7.640   1.429
   24    HA   THR   4           HA       THR   4   6.942   5.492   2.031
   25    HB   THR   4           HB       THR   4   6.871   8.448   2.703
   26    HG1  THR   4           HG1      THR   4   7.846   7.959   4.557
   27   1HG2  THR   4          HG23      THR   4   5.128   6.106   3.189
   28   2HG2  THR   4          HG22      THR   4   5.406   7.144   4.587
   29   3HG2  THR   4          HG21      THR   4   4.718   7.819   3.111
   30    H    VAL   5           HN       VAL   5   5.267   5.274   0.608
   31    HA   VAL   5           HA       VAL   5   4.727   7.490  -1.344
   32    HB   VAL   5           HB       VAL   5   5.842   5.895  -2.620
   33   1HG1  VAL   5          HG13      VAL   5   5.985   4.220  -0.750
   34   2HG1  VAL   5          HG12      VAL   5   4.358   3.688  -1.171
   35   3HG1  VAL   5          HG11      VAL   5   5.677   3.490  -2.323
   36   1HG2  VAL   5          HG21      VAL   5   2.946   5.015  -2.685
   37   2HG2  VAL   5          HG23      VAL   5   3.637   6.358  -3.596
   38   3HG2  VAL   5          HG22      VAL   5   4.137   4.705  -3.949
   39    H    THR   6           HN       THR   6   2.565   7.186  -2.313
   40    HA   THR   6           HA       THR   6   0.628   6.268  -0.238
   41    HB   THR   6           HB       THR   6  -0.773   7.858  -1.896
   42    HG1  THR   6           HG1      THR   6   0.992   9.568  -2.302
   43   1HG2  THR   6          HG21      THR   6   0.963   8.380   0.443
   44   2HG2  THR   6          HG23      THR   6   0.432   9.802  -0.454
   45   3HG2  THR   6          HG22      THR   6  -0.759   8.695   0.229
   46    H    LEU   7           HN       LEU   7  -1.324   5.168  -1.176
   47    HA   LEU   7           HA       LEU   7  -0.761   3.975  -3.852
   48   1HB   LEU   7           HB2      LEU   7  -0.815   2.788  -1.199
   49   2HB   LEU   7           HB1      LEU   7  -2.015   2.031  -2.246
   50    HG   LEU   7           HG       LEU   7  -0.383   1.412  -3.848
   51   1HD1  LEU   7          HD13      LEU   7   1.356   3.412  -2.444
   52   2HD1  LEU   7          HD12      LEU   7   2.058   2.148  -3.454
   53   3HD1  LEU   7          HD11      LEU   7   0.942   3.314  -4.151
   54   1HD2  LEU   7          HD21      LEU   7   0.026   0.750  -1.081
   55   2HD2  LEU   7          HD23      LEU   7   0.347  -0.249  -2.500
   56   3HD2  LEU   7          HD22      LEU   7   1.590   0.840  -1.885
   57    H    ALA   8           HN       ALA   8  -2.663   3.347  -4.995
   58    HA   ALA   8           HA       ALA   8  -5.130   4.726  -3.999
   59   1HB   ALA   8           HB1      ALA   8  -4.000   5.446  -6.135
   60   2HB   ALA   8           HB3      ALA   8  -4.369   3.855  -6.801
   61   3HB   ALA   8           HB2      ALA   8  -5.678   4.947  -6.352
   62    H    VAL   9           HN       VAL   9  -6.487   3.251  -3.056
   63    HA   VAL   9           HA       VAL   9  -7.037   0.720  -4.560
   64    HB   VAL   9           HB       VAL   9  -5.630   0.092  -2.724
   65   1HG1  VAL   9          HG12      VAL   9  -7.083   2.291  -1.362
   66   2HG1  VAL   9          HG11      VAL   9  -6.654   0.914  -0.349
   67   3HG1  VAL   9          HG13      VAL   9  -5.397   1.796  -1.216
   68   1HG2  VAL   9          HG22      VAL   9  -8.464  -0.524  -2.624
   69   2HG2  VAL   9          HG21      VAL   9  -7.088  -1.573  -2.306
   70   3HG2  VAL   9          HG23      VAL   9  -7.751  -0.576  -1.014
   71    HA   PRO  10           HA       PRO  10 -10.942   3.012  -3.855
   72   1HB   PRO  10           HB2      PRO  10 -12.004   1.839  -6.202
   73   2HB   PRO  10           HB1      PRO  10 -11.331   3.463  -6.038
   74   1HG   PRO  10           HG2      PRO  10 -10.216   1.204  -7.449
   75   2HG   PRO  10           HG1      PRO  10  -9.596   2.855  -7.358
   76   1HD   PRO  10           HD2      PRO  10  -8.583   0.484  -6.027
   77   2HD   PRO  10           HD1      PRO  10  -7.909   2.133  -6.005
   78    H    GLY  11           HN       GLY  11 -10.136   0.008  -3.088
   79   1HA   GLY  11           HA2      GLY  11 -12.306  -1.700  -3.552
   80   2HA   GLY  11           HA1      GLY  11 -11.324  -1.740  -2.086
   81    H    MET  12           HN       MET  12 -11.930   0.921  -1.240
   82    HA   MET  12           HA       MET  12 -13.435   1.652   0.487
   83   1HB   MET  12           HB2      MET  12 -15.025   3.000  -0.660
   84   2HB   MET  12           HB1      MET  12 -13.707   2.793  -1.812
   85   1HG   MET  12           HG2      MET  12 -15.121   0.678  -2.552
   86   2HG   MET  12           HG1      MET  12 -16.448   1.585  -1.830
   87   1HE   MET  12           HE3      MET  12 -17.641   3.137  -2.651
   88   2HE   MET  12           HE2      MET  12 -17.551   3.956  -4.209
   89   3HE   MET  12           HE1      MET  12 -17.875   2.225  -4.148
   90    H    THR  13           HN       THR  13 -13.544  -1.055   0.697
   91    HA   THR  13           HA       THR  13 -16.265  -2.069   0.332
   92    HB   THR  13           HB       THR  13 -13.922  -3.232   0.274
   93    HG1  THR  13           HG1      THR  13 -15.875  -4.357   0.112
   94   1HG2  THR  13          HG22      THR  13 -13.863  -2.335   2.882
   95   2HG2  THR  13          HG21      THR  13 -14.295  -4.036   3.052
   96   3HG2  THR  13          HG23      THR  13 -12.822  -3.582   2.198
   97    H    CYS  14           HN       CYS  14 -15.211   0.216   2.335
   98    HA   CYS  14           HA       CYS  14 -16.228   1.141   4.253
   99   1HB   CYS  14           HB2      CYS  14 -18.050  -0.697   3.344
  100   2HB   CYS  14           HB1      CYS  14 -17.710  -1.312   4.961
  101    HG   CYS  14           HG       CYS  14 -18.191   1.656   5.117
  102    H    ALA  15           HN       ALA  15 -14.259   1.126   5.372
  103    HA   ALA  15           HA       ALA  15 -12.800   0.551   7.128
  104   1HB   ALA  15           HB3      ALA  15 -15.493  -0.442   7.717
  105   2HB   ALA  15           HB2      ALA  15 -14.229  -1.299   8.600
  106   3HB   ALA  15           HB1      ALA  15 -14.376   0.452   8.748
  107    H    ALA  16           HN       ALA  16 -12.398  -0.991   4.707
  108    HA   ALA  16           HA       ALA  16 -11.031  -3.290   5.917
  109   1HB   ALA  16           HB3      ALA  16 -13.673  -3.501   4.733
  110   2HB   ALA  16           HB2      ALA  16 -12.516  -4.537   3.896
  111   3HB   ALA  16           HB1      ALA  16 -12.756  -4.708   5.635
  112    H    CYS  17           HN       CYS  17 -12.083  -1.816   2.799
  113    HA   CYS  17           HA       CYS  17 -10.220  -2.934   1.060
  114   1HB   CYS  17           HB2      CYS  17 -11.552  -1.476  -0.066
  115   2HB   CYS  17           HB1      CYS  17 -11.761  -0.445   1.341
  116    HG   CYS  17           HG       CYS  17  -9.778   0.961   0.635
  117    HA   PRO  18           HA       PRO  18  -6.864   0.240   2.433
  118   1HB   PRO  18           HB2      PRO  18  -7.488   1.604   4.793
  119   2HB   PRO  18           HB1      PRO  18  -7.658   2.242   3.154
  120   1HG   PRO  18           HG2      PRO  18  -9.746   1.407   5.034
  121   2HG   PRO  18           HG1      PRO  18  -9.890   2.372   3.561
  122   1HD   PRO  18           HD2      PRO  18 -10.654  -0.362   3.908
  123   2HD   PRO  18           HD1      PRO  18 -10.641   0.570   2.392
  124    H    ILE  19           HN       ILE  19  -8.581  -1.726   4.746
  125    HA   ILE  19           HA       ILE  19  -6.412  -1.874   6.703
  126    HB   ILE  19           HB       ILE  19  -8.986  -3.384   6.181
  127   1HG1  ILE  19          HG12      ILE  19  -8.086  -1.422   8.315
  128   2HG1  ILE  19          HG11      ILE  19  -9.214  -1.083   7.002
  129   1HG2  ILE  19          HG22      ILE  19  -6.740  -4.312   7.644
  130   2HG2  ILE  19          HG21      ILE  19  -7.932  -3.784   8.832
  131   3HG2  ILE  19          HG23      ILE  19  -8.366  -4.996   7.626
  132   1HD1  ILE  19          HD11      ILE  19 -10.447  -3.225   8.043
  133   2HD1  ILE  19          HD13      ILE  19  -9.628  -2.660   9.499
  134   3HD1  ILE  19          HD12      ILE  19 -10.744  -1.594   8.644
  135    H    THR  20           HN       THR  20  -7.607  -3.834   4.021
  136    HA   THR  20           HA       THR  20  -5.685  -5.985   4.412
  137    HB   THR  20           HB       THR  20  -7.991  -5.242   2.766
  138    HG1  THR  20           HG1      THR  20  -8.473  -7.254   3.214
  139   1HG2  THR  20          HG22      THR  20  -5.664  -6.641   1.441
  140   2HG2  THR  20          HG21      THR  20  -7.318  -6.714   0.834
  141   3HG2  THR  20          HG23      THR  20  -6.473  -5.168   0.907
  142    H    VAL  21           HN       VAL  21  -6.113  -3.232   2.184
  143    HA   VAL  21           HA       VAL  21  -3.792  -3.584   0.615
  144    HB   VAL  21           HB       VAL  21  -5.423  -1.220   1.552
  145   1HG1  VAL  21          HG11      VAL  21  -3.070  -1.183  -0.362
  146   2HG1  VAL  21          HG13      VAL  21  -4.196   0.153  -0.120
  147   3HG1  VAL  21          HG12      VAL  21  -3.153  -0.372   1.202
  148   1HG2  VAL  21          HG23      VAL  21  -5.367  -3.070  -0.739
  149   2HG2  VAL  21          HG22      VAL  21  -6.702  -2.107  -0.105
  150   3HG2  VAL  21          HG21      VAL  21  -5.523  -1.374  -1.192
  151    H    LYS  22           HN       LYS  22  -4.282  -1.983   3.740
  152    HA   LYS  22           HA       LYS  22  -1.697  -0.884   4.114
  153   1HB   LYS  22           HB2      LYS  22  -3.278  -0.283   5.718
  154   2HB   LYS  22           HB1      LYS  22  -3.945  -1.911   5.814
  155   1HG   LYS  22           HG2      LYS  22  -2.442  -2.577   7.403
  156   2HG   LYS  22           HG1      LYS  22  -1.131  -1.623   6.711
  157   1HD   LYS  22           HD2      LYS  22  -2.094   0.428   7.644
  158   2HD   LYS  22           HD1      LYS  22  -3.462  -0.485   8.283
  159   1HE   LYS  22           HE2      LYS  22  -1.520  -1.921   9.423
  160   2HE   LYS  22           HE1      LYS  22  -0.631  -0.393   9.253
  161   1HZ   LYS  22           HZ2      LYS  22  -2.618   0.731  10.199
  162   2HZ   LYS  22           HZ1      LYS  22  -3.276  -0.797  10.544
  163   3HZ   LYS  22           HZ3      LYS  22  -1.837  -0.305  11.295
  164    H    LYS  23           HN       LYS  23  -2.931  -4.044   5.266
  165    HA   LYS  23           HA       LYS  23  -0.314  -5.034   5.997
  166   1HB   LYS  23           HB2      LYS  23  -1.561  -7.099   6.392
  167   2HB   LYS  23           HB1      LYS  23  -2.523  -5.729   6.950
  168   1HG   LYS  23           HG2      LYS  23  -3.975  -5.835   5.106
  169   2HG   LYS  23           HG1      LYS  23  -2.834  -6.771   4.143
  170   1HD   LYS  23           HD2      LYS  23  -4.183  -8.511   4.771
  171   2HD   LYS  23           HD1      LYS  23  -3.168  -8.474   6.214
  172   1HE   LYS  23           HE2      LYS  23  -5.878  -7.139   5.872
  173   2HE   LYS  23           HE1      LYS  23  -5.477  -8.482   6.960
  174   1HZ   LYS  23           HZ3      LYS  23  -3.720  -6.968   7.901
  175   2HZ   LYS  23           HZ2      LYS  23  -4.467  -5.697   7.058
  176   3HZ   LYS  23           HZ1      LYS  23  -5.320  -6.539   8.262
  177    H    ALA  24           HN       ALA  24  -1.528  -4.456   2.943
  178    HA   ALA  24           HA       ALA  24  -0.502  -6.906   1.704
  179   1HB   ALA  24           HB1      ALA  24  -2.412  -4.923   1.123
  180   2HB   ALA  24           HB3      ALA  24  -1.140  -4.707  -0.079
  181   3HB   ALA  24           HB2      ALA  24  -1.948  -6.266   0.079
  182    H    LEU  25           HN       LEU  25   0.022  -3.507   0.896
  183    HA   LEU  25           HA       LEU  25   2.652  -3.917  -0.138
  184   1HB   LEU  25           HB2      LEU  25   2.696  -1.343   0.136
  185   2HB   LEU  25           HB1      LEU  25   1.494  -2.034  -0.939
  186    HG   LEU  25           HG       LEU  25   0.890  -0.190   0.867
  187   1HD1  LEU  25          HD11      LEU  25  -0.830  -2.489   0.020
  188   2HD1  LEU  25          HD13      LEU  25  -1.446  -1.071   0.861
  189   3HD1  LEU  25          HD12      LEU  25  -0.688  -0.904  -0.717
  190   1HD2  LEU  25          HD22      LEU  25   1.634  -1.638   2.771
  191   2HD2  LEU  25          HD21      LEU  25   0.009  -0.990   2.905
  192   3HD2  LEU  25          HD23      LEU  25   0.243  -2.666   2.440
  193    H    SER  26           HN       SER  26   1.478  -3.862   3.039
  194    HA   SER  26           HA       SER  26   3.968  -2.791   4.236
  195   1HB   SER  26           HB2      SER  26   1.711  -2.304   5.146
  196   2HB   SER  26           HB1      SER  26   1.464  -4.021   5.436
  197    HG   SER  26           HG       SER  26   2.370  -3.579   7.284
  198    H    LYS  27           HN       LYS  27   2.181  -5.927   4.131
  199    HA   LYS  27           HA       LYS  27   4.346  -7.270   5.551
  200   1HB   LYS  27           HB2      LYS  27   2.617  -8.655   5.957
  201   2HB   LYS  27           HB1      LYS  27   1.624  -7.733   4.843
  202   1HG   LYS  27           HG2      LYS  27   3.510  -9.936   3.968
  203   2HG   LYS  27           HG1      LYS  27   1.795 -10.189   4.292
  204   1HD   LYS  27           HD2      LYS  27   1.807  -7.971   2.620
  205   2HD   LYS  27           HD1      LYS  27   3.082  -8.992   1.954
  206   1HE   LYS  27           HE2      LYS  27   0.203  -9.810   2.482
  207   2HE   LYS  27           HE1      LYS  27   0.999  -9.663   0.903
  208   1HZ   LYS  27           HZ3      LYS  27   2.721 -11.249   1.925
  209   2HZ   LYS  27           HZ2      LYS  27   1.506 -11.623   3.052
  210   3HZ   LYS  27           HZ1      LYS  27   1.248 -11.904   1.397
  211    H    VAL  28           HN       VAL  28   4.042  -6.191   2.414
  212    HA   VAL  28           HA       VAL  28   4.793  -7.935   0.509
  213    HB   VAL  28           HB       VAL  28   5.986  -5.317   1.378
  214   1HG1  VAL  28          HG11      VAL  28   6.902  -7.071  -0.904
  215   2HG1  VAL  28          HG13      VAL  28   7.071  -5.317  -0.969
  216   3HG1  VAL  28          HG12      VAL  28   7.887  -6.234   0.296
  217   1HG2  VAL  28          HG22      VAL  28   3.689  -6.008   0.057
  218   2HG2  VAL  28          HG21      VAL  28   4.481  -4.439  -0.082
  219   3HG2  VAL  28          HG23      VAL  28   4.783  -5.688  -1.289
  220    H    GLU  29           HN       GLU  29   7.642  -6.537   2.153
  221    HA   GLU  29           HA       GLU  29   8.679  -8.959   3.252
  222   1HB   GLU  29           HB2      GLU  29  10.347  -9.410   1.368
  223   2HB   GLU  29           HB1      GLU  29   8.669  -9.827   1.025
  224   1HG   GLU  29           HG2      GLU  29   8.402  -8.102  -0.480
  225   2HG   GLU  29           HG1      GLU  29   9.569  -7.065   0.340
  226    H    GLY  30           HN       GLY  30   9.392  -5.854   1.711
  227   1HA   GLY  30           HA2      GLY  30  11.745  -5.585   3.546
  228   2HA   GLY  30           HA1      GLY  30  11.671  -4.816   1.958
  229    H    VAL  31           HN       VAL  31   8.620  -4.722   3.208
  230    HA   VAL  31           HA       VAL  31   8.349  -1.948   3.445
  231    HB   VAL  31           HB       VAL  31   6.979  -4.247   4.863
  232   1HG1  VAL  31          HG11      VAL  31   6.713  -1.780   5.765
  233   2HG1  VAL  31          HG13      VAL  31   5.698  -1.583   4.337
  234   3HG1  VAL  31          HG12      VAL  31   5.289  -2.796   5.550
  235   1HG2  VAL  31          HG21      VAL  31   7.057  -4.154   2.326
  236   2HG2  VAL  31          HG23      VAL  31   5.438  -4.160   3.023
  237   3HG2  VAL  31          HG22      VAL  31   6.139  -2.653   2.432
  238    H    SER  32           HN       SER  32   8.421  -0.522   5.065
  239    HA   SER  32           HA       SER  32   9.808  -1.355   7.584
  240   1HB   SER  32           HB2      SER  32  10.173   0.920   5.662
  241   2HB   SER  32           HB1      SER  32  10.583   1.170   7.357
  242    HG   SER  32           HG       SER  32  12.128  -0.346   7.215
  243    H    LYS  33           HN       LYS  33   7.036   0.011   6.174
  244    HA   LYS  33           HA       LYS  33   5.776   0.477   8.732
  245   1HB   LYS  33           HB2      LYS  33   6.870   2.438   9.133
  246   2HB   LYS  33           HB1      LYS  33   7.366   2.611   7.458
  247   1HG   LYS  33           HG2      LYS  33   5.936   4.432   7.702
  248   2HG   LYS  33           HG1      LYS  33   4.815   3.231   7.079
  249   1HD   LYS  33           HD2      LYS  33   3.582   3.381   8.958
  250   2HD   LYS  33           HD1      LYS  33   4.986   2.951   9.935
  251   1HE   LYS  33           HE2      LYS  33   5.724   5.372   9.781
  252   2HE   LYS  33           HE1      LYS  33   4.151   5.729   9.041
  253   1HZ   LYS  33           HZ3      LYS  33   3.420   4.200  11.102
  254   2HZ   LYS  33           HZ2      LYS  33   4.776   4.973  11.775
  255   3HZ   LYS  33           HZ1      LYS  33   3.481   5.893  11.173
  256    H    VAL  34           HN       VAL  34   3.596   1.639   8.379
  257    HA   VAL  34           HA       VAL  34   2.572   1.913   5.674
  258    HB   VAL  34           HB       VAL  34   2.902  -0.580   6.019
  259   1HG1  VAL  34          HG12      VAL  34   1.546   0.054   8.453
  260   2HG1  VAL  34          HG11      VAL  34   0.504  -1.021   7.522
  261   3HG1  VAL  34          HG13      VAL  34   2.148  -1.517   7.923
  262   1HG2  VAL  34          HG23      VAL  34   0.640   0.881   5.010
  263   2HG2  VAL  34          HG22      VAL  34   1.305  -0.643   4.428
  264   3HG2  VAL  34          HG21      VAL  34   0.076  -0.643   5.691
  265    H    ASP  35           HN       ASP  35   0.319   2.574   5.686
  266    HA   ASP  35           HA       ASP  35  -1.074   2.864   8.271
  267   1HB   ASP  35           HB2      ASP  35   0.690   4.838   7.278
  268   2HB   ASP  35           HB1      ASP  35  -0.937   5.449   6.972
  269    H    VAL  36           HN       VAL  36  -3.295   3.831   7.879
  270    HA   VAL  36           HA       VAL  36  -4.215   3.179   5.101
  271    HB   VAL  36           HB       VAL  36  -6.429   2.865   6.366
  272   1HG1  VAL  36          HG13      VAL  36  -4.557   1.100   5.728
  273   2HG1  VAL  36          HG12      VAL  36  -4.351   1.014   7.478
  274   3HG1  VAL  36          HG11      VAL  36  -5.914   0.635   6.754
  275   1HG2  VAL  36          HG23      VAL  36  -5.086   4.124   8.395
  276   2HG2  VAL  36          HG22      VAL  36  -6.511   3.112   8.630
  277   3HG2  VAL  36          HG21      VAL  36  -4.899   2.433   8.857
  278    H    GLY  37           HN       GLY  37  -5.420   4.708   3.983
  279   1HA   GLY  37           HA2      GLY  37  -6.135   7.222   5.429
  280   2HA   GLY  37           HA1      GLY  37  -5.326   7.287   3.862
  281    H    PHE  38           HN       PHE  38  -8.217   5.836   5.395
  282    HA   PHE  38           HA       PHE  38  -9.622   5.289   2.975
  283   1HB   PHE  38           HB2      PHE  38  -9.964   5.007   5.730
  284   2HB   PHE  38           HB1      PHE  38 -11.292   6.063   5.242
  285    HD1  PHE  38           HD1      PHE  38 -11.554   5.057   2.379
  286    HD2  PHE  38           HD2      PHE  38 -11.210   2.985   6.127
  287    HE1  PHE  38           HE1      PHE  38 -12.751   3.113   1.413
  288    HE2  PHE  38           HE2      PHE  38 -12.406   1.040   5.160
  289    HZ   PHE  38           HZ       PHE  38 -13.188   1.106   2.809
  290    H    GLU  39           HN       GLU  39  -8.899   8.292   4.494
  291    HA   GLU  39           HA       GLU  39 -11.134   9.904   3.874
  292   1HB   GLU  39           HB2      GLU  39  -8.430  10.172   4.696
  293   2HB   GLU  39           HB1      GLU  39  -8.648  11.264   3.328
  294   1HG   GLU  39           HG2      GLU  39 -10.759  12.096   4.471
  295   2HG   GLU  39           HG1      GLU  39 -10.254  11.182   5.892
  296    H    LYS  40           HN       LYS  40  -8.674   8.533   1.783
  297    HA   LYS  40           HA       LYS  40 -10.158   9.590  -0.577
  298   1HB   LYS  40           HB2      LYS  40  -8.039  10.323  -1.573
  299   2HB   LYS  40           HB1      LYS  40  -8.253  11.100  -0.004
  300   1HG   LYS  40           HG2      LYS  40  -6.963   8.835   0.756
  301   2HG   LYS  40           HG1      LYS  40  -6.270   9.067  -0.849
  302   1HD   LYS  40           HD2      LYS  40  -6.480  11.468   0.909
  303   2HD   LYS  40           HD1      LYS  40  -5.247  10.272   1.314
  304   1HE   LYS  40           HE2      LYS  40  -4.123  10.552  -0.743
  305   2HE   LYS  40           HE1      LYS  40  -5.538  11.294  -1.516
  306   1HZ   LYS  40           HZ2      LYS  40  -4.558  12.575   0.907
  307   2HZ   LYS  40           HZ1      LYS  40  -3.568  12.729  -0.466
  308   3HZ   LYS  40           HZ3      LYS  40  -5.174  13.271  -0.516
  309    H    ARG  41           HN       ARG  41 -10.024   6.925   0.649
  310    HA   ARG  41           HA       ARG  41  -9.519   4.675   0.072
  311   1HB   ARG  41           HB2      ARG  41 -10.579   6.255  -2.121
  312   2HB   ARG  41           HB1      ARG  41  -9.593   4.926  -2.731
  313   1HG   ARG  41           HG2      ARG  41 -11.802   4.042  -2.500
  314   2HG   ARG  41           HG1      ARG  41 -10.884   3.410  -1.132
  315   1HD   ARG  41           HD2      ARG  41 -13.019   4.223  -0.287
  316   2HD   ARG  41           HD1      ARG  41 -11.767   5.367   0.235
  317    HE   ARG  41           HE       ARG  41 -12.579   6.290  -2.273
  318   1HH1  ARG  41          HH21      ARG  41 -14.065   5.557   0.759
  319   2HH1  ARG  41          HH22      ARG  41 -15.312   6.745   0.581
  320   1HH2  ARG  41          HH11      ARG  41 -14.201   7.843  -2.513
  321   2HH2  ARG  41          HH12      ARG  41 -15.389   8.038  -1.268
  322    H    GLU  42           HN       GLU  42  -7.130   5.776   0.714
  323    HA   GLU  42           HA       GLU  42  -5.308   4.656  -1.362
  324   1HB   GLU  42           HB2      GLU  42  -5.251   6.926  -1.968
  325   2HB   GLU  42           HB1      GLU  42  -5.447   7.473  -0.304
  326   1HG   GLU  42           HG2      GLU  42  -3.016   5.881  -0.701
  327   2HG   GLU  42           HG1      GLU  42  -3.044   7.352  -1.674
  328    H    ALA  43           HN       ALA  43  -3.317   3.871  -0.454
  329    HA   ALA  43           HA       ALA  43  -3.275   3.843   2.551
  330   1HB   ALA  43           HB2      ALA  43  -3.615   1.758   0.880
  331   2HB   ALA  43           HB1      ALA  43  -1.852   1.800   0.906
  332   3HB   ALA  43           HB3      ALA  43  -2.751   1.599   2.410
  333    H    VAL  44           HN       VAL  44  -1.336   4.479   3.551
  334    HA   VAL  44           HA       VAL  44   0.819   5.441   1.707
  335    HB   VAL  44           HB       VAL  44  -0.407   7.000   3.294
  336   1HG1  VAL  44          HG13      VAL  44  -0.438   5.184   5.124
  337   2HG1  VAL  44          HG12      VAL  44   1.231   5.655   5.445
  338   3HG1  VAL  44          HG11      VAL  44  -0.070   6.831   5.634
  339   1HG2  VAL  44          HG22      VAL  44   2.582   6.578   3.516
  340   2HG2  VAL  44          HG21      VAL  44   1.725   7.717   2.477
  341   3HG2  VAL  44          HG23      VAL  44   1.768   7.975   4.221
  342    H    VAL  45           HN       VAL  45   2.384   3.922   1.512
  343    HA   VAL  45           HA       VAL  45   3.137   2.343   3.953
  344    HB   VAL  45           HB       VAL  45   2.072   1.411   1.733
  345   1HG1  VAL  45          HG13      VAL  45   3.851   2.524   0.324
  346   2HG1  VAL  45          HG12      VAL  45   5.003   1.372   0.999
  347   3HG1  VAL  45          HG11      VAL  45   3.646   0.797   0.031
  348   1HG2  VAL  45          HG22      VAL  45   2.855   0.051   3.646
  349   2HG2  VAL  45          HG21      VAL  45   3.267  -0.715   2.111
  350   3HG2  VAL  45          HG23      VAL  45   4.504   0.144   3.029
  351    H    THR  46           HN       THR  46   5.224   2.337   4.596
  352    HA   THR  46           HA       THR  46   7.236   3.873   2.992
  353    HB   THR  46           HB       THR  46   6.711   3.333   5.912
  354    HG1  THR  46           HG1      THR  46   6.521   5.446   5.964
  355   1HG2  THR  46          HG23      THR  46   9.355   4.005   4.627
  356   2HG2  THR  46          HG22      THR  46   8.992   4.473   6.289
  357   3HG2  THR  46          HG21      THR  46   9.005   2.769   5.835
  358    H    PHE  47           HN       PHE  47   9.424   2.776   2.851
  359    HA   PHE  47           HA       PHE  47   9.733   0.098   3.912
  360   1HB   PHE  47           HB2      PHE  47   9.480  -1.080   1.767
  361   2HB   PHE  47           HB1      PHE  47   7.986  -0.230   2.172
  362    HD1  PHE  47           HD2      PHE  47  11.110  -0.011   0.113
  363    HD2  PHE  47           HD1      PHE  47   7.151   1.531   0.816
  364    HE1  PHE  47           HE2      PHE  47  11.242   1.292  -1.982
  365    HE2  PHE  47           HE1      PHE  47   7.293   2.833  -1.289
  366    HZ   PHE  47           HZ       PHE  47   9.334   2.713  -2.687
  367    H    ASP  48           HN       ASP  48  11.504  -1.042   2.473
  368    HA   ASP  48           HA       ASP  48  13.644   0.997   1.977
  369   1HB   ASP  48           HB2      ASP  48  15.089  -1.150   2.323
  370   2HB   ASP  48           HB1      ASP  48  14.332  -0.427   3.741
  371    H    ASP  49           HN       ASP  49  13.715   1.351  -0.204
  372    HA   ASP  49           HA       ASP  49  12.649  -0.280  -2.223
  373   1HB   ASP  49           HB2      ASP  49  13.304   2.054  -2.499
  374   2HB   ASP  49           HB1      ASP  49  15.000   1.636  -2.249
  375    H    THR  50           HN       THR  50  15.493  -0.825  -0.364
  376    HA   THR  50           HA       THR  50  17.158  -2.217  -2.203
  377    HB   THR  50           HB       THR  50  17.832  -3.353   0.067
  378    HG1  THR  50           HG1      THR  50  15.821  -2.855   1.057
  379   1HG2  THR  50          HG21      THR  50  18.247  -0.729  -1.060
  380   2HG2  THR  50          HG23      THR  50  18.292  -0.641   0.701
  381   3HG2  THR  50          HG22      THR  50  19.377  -1.736  -0.156
  382    H    LYS  51           HN       LYS  51  14.383  -3.327  -0.261
  383    HA   LYS  51           HA       LYS  51  14.613  -5.981  -1.641
  384   1HB   LYS  51           HB2      LYS  51  13.400  -5.348   1.060
  385   2HB   LYS  51           HB1      LYS  51  13.729  -6.949   0.398
  386   1HG   LYS  51           HG2      LYS  51  16.197  -5.884   0.192
  387   2HG   LYS  51           HG1      LYS  51  15.606  -4.967   1.578
  388   1HD   LYS  51           HD2      LYS  51  16.285  -6.784   2.771
  389   2HD   LYS  51           HD1      LYS  51  14.759  -7.480   2.224
  390   1HE   LYS  51           HE2      LYS  51  15.843  -9.020   0.964
  391   2HE   LYS  51           HE1      LYS  51  16.837  -7.766   0.195
  392   1HZ   LYS  51           HZ3      LYS  51  18.134  -7.658   2.288
  393   2HZ   LYS  51           HZ2      LYS  51  17.270  -9.004   2.861
  394   3HZ   LYS  51           HZ1      LYS  51  18.270  -9.152   1.496
  395    H    ALA  52           HN       ALA  52  12.724  -3.201  -1.420
  396    HA   ALA  52           HA       ALA  52  10.481  -4.578  -2.777
  397   1HB   ALA  52           HB3      ALA  52  10.040  -4.725  -0.339
  398   2HB   ALA  52           HB2      ALA  52  10.159  -2.969  -0.225
  399   3HB   ALA  52           HB1      ALA  52   8.852  -3.706  -1.152
  400    H    SER  53           HN       SER  53   8.657  -2.545  -2.720
  401    HA   SER  53           HA       SER  53   9.447   0.120  -3.106
  402   1HB   SER  53           HB2      SER  53  11.026  -0.532  -4.761
  403   2HB   SER  53           HB1      SER  53   9.938  -1.741  -5.437
  404    HG   SER  53           HG       SER  53  10.228   0.827  -6.109
  405    H    VAL  54           HN       VAL  54   7.774   1.256  -4.674
  406    HA   VAL  54           HA       VAL  54   5.153   0.560  -3.998
  407    HB   VAL  54           HB       VAL  54   4.655   1.921  -6.104
  408   1HG1  VAL  54          HG12      VAL  54   6.621   2.953  -4.055
  409   2HG1  VAL  54          HG11      VAL  54   5.667   3.977  -5.129
  410   3HG1  VAL  54          HG13      VAL  54   4.862   2.971  -3.925
  411   1HG2  VAL  54          HG21      VAL  54   6.882   1.089  -7.145
  412   2HG2  VAL  54          HG23      VAL  54   6.423   2.771  -7.396
  413   3HG2  VAL  54          HG22      VAL  54   7.627   2.359  -6.176
  414    H    GLN  55           HN       GLN  55   7.192  -0.638  -6.633
  415    HA   GLN  55           HA       GLN  55   5.343  -1.888  -8.313
  416   1HB   GLN  55           HB2      GLN  55   7.777  -1.876  -8.644
  417   2HB   GLN  55           HB1      GLN  55   7.997  -2.889  -7.217
  418   1HG   GLN  55           HG2      GLN  55   6.224  -4.401  -8.624
  419   2HG   GLN  55           HG1      GLN  55   7.113  -3.636  -9.942
  420   1HE2  GLN  55          HE22      GLN  55  10.271  -4.989  -8.319
  421   2HE2  GLN  55          HE21      GLN  55   9.654  -3.415  -8.461
  422    H    LYS  56           HN       LYS  56   6.680  -3.062  -5.237
  423    HA   LYS  56           HA       LYS  56   4.871  -5.380  -5.218
  424   1HB   LYS  56           HB2      LYS  56   7.415  -4.880  -4.334
  425   2HB   LYS  56           HB1      LYS  56   6.493  -4.717  -2.839
  426   1HG   LYS  56           HG2      LYS  56   7.051  -7.026  -2.967
  427   2HG   LYS  56           HG1      LYS  56   5.368  -6.934  -3.484
  428   1HD   LYS  56           HD2      LYS  56   5.898  -7.801  -5.489
  429   2HD   LYS  56           HD1      LYS  56   7.074  -6.515  -5.760
  430   1HE   LYS  56           HE2      LYS  56   8.585  -8.244  -5.713
  431   2HE   LYS  56           HE1      LYS  56   8.417  -8.086  -3.953
  432   1HZ   LYS  56           HZ2      LYS  56   6.551  -9.630  -4.032
  433   2HZ   LYS  56           HZ1      LYS  56   6.747  -9.809  -5.710
  434   3HZ   LYS  56           HZ3      LYS  56   7.955 -10.356  -4.654
  435    H    LEU  57           HN       LEU  57   4.901  -2.115  -3.857
  436    HA   LEU  57           HA       LEU  57   3.095  -2.758  -1.656
  437   1HB   LEU  57           HB2      LEU  57   3.497  -0.121  -3.102
  438   2HB   LEU  57           HB1      LEU  57   2.905  -0.350  -1.460
  439    HG   LEU  57           HG       LEU  57   5.668  -1.153  -2.386
  440   1HD1  LEU  57          HD12      LEU  57   4.498   1.404  -1.547
  441   2HD1  LEU  57          HD11      LEU  57   5.902   0.932  -0.589
  442   3HD1  LEU  57          HD13      LEU  57   6.040   1.083  -2.341
  443   1HD2  LEU  57          HD21      LEU  57   4.370  -2.179  -0.293
  444   2HD2  LEU  57          HD23      LEU  57   6.080  -1.764  -0.184
  445   3HD2  LEU  57          HD22      LEU  57   4.862  -0.660   0.456
  446    H    THR  58           HN       THR  58   2.582  -0.846  -4.640
  447    HA   THR  58           HA       THR  58  -0.255  -0.968  -4.628
  448    HB   THR  58           HB       THR  58   1.913  -0.602  -6.686
  449    HG1  THR  58           HG1      THR  58   1.026   0.998  -5.103
  450   1HG2  THR  58          HG22      THR  58   0.066  -1.832  -7.817
  451   2HG2  THR  58          HG21      THR  58  -1.059  -0.582  -7.286
  452   3HG2  THR  58          HG23      THR  58   0.237  -0.182  -8.414
  453    H    LYS  59           HN       LYS  59   2.176  -3.326  -5.605
  454    HA   LYS  59           HA       LYS  59   0.365  -5.027  -7.070
  455   1HB   LYS  59           HB2      LYS  59   2.715  -5.103  -7.543
  456   2HB   LYS  59           HB1      LYS  59   3.111  -5.334  -5.840
  457   1HG   LYS  59           HG2      LYS  59   2.695  -7.570  -5.919
  458   2HG   LYS  59           HG1      LYS  59   1.285  -7.365  -6.959
  459   1HD   LYS  59           HD2      LYS  59   4.008  -6.846  -8.100
  460   2HD   LYS  59           HD1      LYS  59   3.470  -8.514  -7.901
  461   1HE   LYS  59           HE2      LYS  59   1.274  -7.122  -9.026
  462   2HE   LYS  59           HE1      LYS  59   2.708  -6.629  -9.947
  463   1HZ   LYS  59           HZ3      LYS  59   3.310  -9.115  -9.793
  464   2HZ   LYS  59           HZ2      LYS  59   1.658  -9.344  -9.471
  465   3HZ   LYS  59           HZ1      LYS  59   2.152  -8.633 -10.933
  466    H    ALA  60           HN       ALA  60   1.431  -4.741  -3.716
  467    HA   ALA  60           HA       ALA  60   0.368  -7.252  -2.819
  468   1HB   ALA  60           HB3      ALA  60   2.103  -5.590  -1.791
  469   2HB   ALA  60           HB2      ALA  60   0.684  -4.775  -1.136
  470   3HB   ALA  60           HB1      ALA  60   1.019  -6.450  -0.698
  471    H    THR  61           HN       THR  61  -0.912  -3.967  -3.094
  472    HA   THR  61           HA       THR  61  -3.416  -4.562  -1.740
  473    HB   THR  61           HB       THR  61  -2.497  -2.290  -1.848
  474    HG1  THR  61           HG1      THR  61  -4.341  -1.260  -2.653
  475   1HG2  THR  61          HG22      THR  61  -2.692  -2.731  -4.835
  476   2HG2  THR  61          HG21      THR  61  -2.506  -1.134  -4.114
  477   3HG2  THR  61          HG23      THR  61  -1.251  -2.352  -3.894
  478    H    ALA  62           HN       ALA  62  -2.189  -4.540  -4.992
  479    HA   ALA  62           HA       ALA  62  -4.669  -4.936  -6.384
  480   1HB   ALA  62           HB2      ALA  62  -1.795  -5.683  -7.028
  481   2HB   ALA  62           HB1      ALA  62  -3.111  -5.670  -8.202
  482   3HB   ALA  62           HB3      ALA  62  -2.590  -4.165  -7.445
  483    H    ASP  63           HN       ASP  63  -2.359  -7.063  -4.782
  484    HA   ASP  63           HA       ASP  63  -3.774  -9.494  -5.699
  485   1HB   ASP  63           HB2      ASP  63  -1.315  -8.869  -4.048
  486   2HB   ASP  63           HB1      ASP  63  -1.931 -10.515  -4.200
  487    H    ALA  64           HN       ALA  64  -4.005  -7.214  -3.194
  488    HA   ALA  64           HA       ALA  64  -4.917  -9.029  -1.084
  489   1HB   ALA  64           HB2      ALA  64  -4.107  -6.315  -1.410
  490   2HB   ALA  64           HB1      ALA  64  -5.756  -6.286  -0.785
  491   3HB   ALA  64           HB3      ALA  64  -4.492  -7.143   0.098
  492    H    GLY  65           HN       GLY  65  -6.272  -7.131  -3.703
  493   1HA   GLY  65           HA2      GLY  65  -8.477  -8.315  -4.446
  494   2HA   GLY  65           HA1      GLY  65  -9.015  -7.883  -2.827
  495    H    TYR  66           HN       TYR  66  -6.946  -5.692  -4.679
  496    HA   TYR  66           HA       TYR  66  -9.315  -4.078  -5.468
  497   1HB   TYR  66           HB2      TYR  66  -7.098  -3.042  -3.686
  498   2HB   TYR  66           HB1      TYR  66  -8.537  -2.163  -4.193
  499    HD1  TYR  66           HD1      TYR  66 -10.814  -3.317  -3.628
  500    HD2  TYR  66           HD2      TYR  66  -7.082  -4.124  -1.693
  501    HE1  TYR  66           HE1      TYR  66 -12.032  -4.166  -1.656
  502    HE2  TYR  66           HE2      TYR  66  -8.282  -4.968   0.284
  503    HH   TYR  66           HH       TYR  66 -11.411  -5.890   0.289
  504    HA   PRO  67           HA       PRO  67  -6.285  -3.555  -8.806
  505   1HB   PRO  67           HB2      PRO  67  -8.182  -1.738 -10.008
  506   2HB   PRO  67           HB1      PRO  67  -7.783  -3.380 -10.525
  507   1HG   PRO  67           HG2      PRO  67 -10.198  -2.471  -9.262
  508   2HG   PRO  67           HG1      PRO  67  -9.793  -4.111  -9.778
  509   1HD   PRO  67           HD2      PRO  67  -9.976  -3.113  -7.083
  510   2HD   PRO  67           HD1      PRO  67  -9.519  -4.753  -7.606
  511    H    SER  68           HN       SER  68  -4.842  -2.283  -7.503
  512    HA   SER  68           HA       SER  68  -5.657   0.536  -6.979
  513   1HB   SER  68           HB2      SER  68  -3.903  -1.525  -5.721
  514   2HB   SER  68           HB1      SER  68  -3.493   0.167  -5.459
  515    HG   SER  68           HG       SER  68  -6.043  -1.007  -5.024
  516    H    SER  69           HN       SER  69  -3.225   1.667  -6.535
  517    HA   SER  69           HA       SER  69  -1.389   1.304  -8.795
  518   1HB   SER  69           HB2      SER  69  -3.512   2.655  -9.498
  519   2HB   SER  69           HB1      SER  69  -2.836   3.940  -8.501
  520    HG   SER  69           HG       SER  69  -2.116   4.138 -10.636
  521    H    VAL  70           HN       VAL  70  -0.037   3.717  -8.583
  522    HA   VAL  70           HA       VAL  70   0.429   4.063  -5.666
  523    HB   VAL  70           HB       VAL  70   1.830   2.335  -6.989
  524   1HG1  VAL  70          HG13      VAL  70   2.219   4.194  -8.802
  525   2HG1  VAL  70          HG12      VAL  70   3.496   4.733  -7.711
  526   3HG1  VAL  70          HG11      VAL  70   3.542   3.104  -8.386
  527   1HG2  VAL  70          HG22      VAL  70   2.440   4.154  -4.855
  528   2HG2  VAL  70          HG21      VAL  70   3.054   2.518  -5.102
  529   3HG2  VAL  70          HG23      VAL  70   3.902   3.896  -5.804
  530    H    LYS  71           HN       LYS  71   1.513   6.060  -5.104
  531    HA   LYS  71           HA       LYS  71   1.507   8.082  -7.328
  532   1HB   LYS  71           HB2      LYS  71   0.974   8.946  -4.528
  533   2HB   LYS  71           HB1      LYS  71   0.254   9.526  -6.026
  534   1HG   LYS  71           HG2      LYS  71  -1.126   7.520  -6.185
  535   2HG   LYS  71           HG1      LYS  71  -0.353   6.845  -4.751
  536   1HD   LYS  71           HD2      LYS  71  -1.811   7.926  -3.436
  537   2HD   LYS  71           HD1      LYS  71  -1.283   9.469  -4.107
  538   1HE   LYS  71           HE2      LYS  71  -2.859   9.137  -6.024
  539   2HE   LYS  71           HE1      LYS  71  -3.449   7.659  -5.238
  540   1HZ   LYS  71           HZ1      LYS  71  -3.962   8.953  -3.262
  541   2HZ   LYS  71           HZ3      LYS  71  -3.415  10.369  -4.017
  542   3HZ   LYS  71           HZ2      LYS  71  -4.795   9.574  -4.607
  543    H    GLN  72           HN       GLN  72   3.560   6.392  -6.130
  544    HA   GLN  72           HA       GLN  72   5.808   6.561  -5.369
  545   1HB   GLN  72           HB2      GLN  72   5.156   9.109  -6.840
  546   2HB   GLN  72           HB1      GLN  72   6.761   8.877  -6.144
  547   1HG   GLN  72           HG2      GLN  72   7.302   7.707  -7.992
  548   2HG   GLN  72           HG1      GLN  72   6.180   6.459  -7.447
  549   1HE2  GLN  72          HE22      GLN  72   5.226   8.729 -10.653
  550   2HE2  GLN  72          HE21      GLN  72   6.728   8.864  -9.872
   
  No H/Q in entry =         550
  Start of MODEL   17
    1   1H    ALA   1           HT3      ALA   1  17.439   4.848  -0.009
    2   2H    ALA   1           HT2      ALA   1  18.130   3.510   0.779
    3   3H    ALA   1           HT1      ALA   1  18.447   3.786  -0.867
    4    HA   ALA   1           HA       ALA   1  16.160   3.324  -1.447
    5   1HB   ALA   1           HB2      ALA   1  18.108   1.608  -0.851
    6   2HB   ALA   1           HB1      ALA   1  16.980   1.134   0.420
    7   3HB   ALA   1           HB3      ALA   1  16.494   1.035  -1.273
    8    H    THR   2           HN       THR   2  14.887   4.911  -0.080
    9    HA   THR   2           HA       THR   2  13.235   3.502   1.892
   10    HB   THR   2           HB       THR   2  13.668   5.961   3.043
   11    HG1  THR   2           HG1      THR   2  16.246   5.056   2.564
   12   1HG2  THR   2          HG21      THR   2  14.877   3.249   3.518
   13   2HG2  THR   2          HG23      THR   2  15.235   4.605   4.586
   14   3HG2  THR   2          HG22      THR   2  13.574   4.040   4.404
   15    H    GLN   3           HN       GLN   3  11.656   3.776   0.169
   16    HA   GLN   3           HA       GLN   3  10.959   6.625  -0.451
   17   1HB   GLN   3           HB2      GLN   3  10.827   4.009  -1.899
   18   2HB   GLN   3           HB1      GLN   3   9.715   5.296  -2.367
   19   1HG   GLN   3           HG2      GLN   3  11.432   6.717  -3.053
   20   2HG   GLN   3           HG1      GLN   3  12.631   5.926  -2.030
   21   1HE2  GLN   3          HE22      GLN   3  11.583   3.551  -5.189
   22   2HE2  GLN   3          HE21      GLN   3  10.394   4.122  -4.120
   23    H    THR   4           HN       THR   4   8.806   7.298  -0.428
   24    HA   THR   4           HA       THR   4   6.838   5.502   0.951
   25    HB   THR   4           HB       THR   4   7.363   8.483   1.240
   26    HG1  THR   4           HG1      THR   4   8.170   7.948   3.172
   27   1HG2  THR   4          HG22      THR   4   4.925   7.750   1.342
   28   2HG2  THR   4          HG21      THR   4   5.362   6.811   2.769
   29   3HG2  THR   4          HG23      THR   4   5.538   8.566   2.781
   30    H    VAL   5           HN       VAL   5   5.116   5.140  -0.416
   31    HA   VAL   5           HA       VAL   5   4.391   7.289  -2.389
   32    HB   VAL   5           HB       VAL   5   5.481   5.681  -3.667
   33   1HG1  VAL   5          HG13      VAL   5   5.771   4.059  -1.786
   34   2HG1  VAL   5          HG12      VAL   5   4.118   3.506  -2.056
   35   3HG1  VAL   5          HG11      VAL   5   5.342   3.270  -3.302
   36   1HG2  VAL   5          HG21      VAL   5   3.219   6.069  -4.548
   37   2HG2  VAL   5          HG23      VAL   5   3.755   4.428  -4.884
   38   3HG2  VAL   5          HG22      VAL   5   2.613   4.727  -3.578
   39    H    THR   6           HN       THR   6   2.182   6.863  -3.266
   40    HA   THR   6           HA       THR   6   0.351   6.055  -1.056
   41    HB   THR   6           HB       THR   6  -1.158   7.451  -2.795
   42    HG1  THR   6           HG1      THR   6   1.299   8.738  -3.119
   43   1HG2  THR   6          HG23      THR   6   0.800   8.453  -0.741
   44   2HG2  THR   6          HG22      THR   6  -0.301   9.554  -1.570
   45   3HG2  THR   6          HG21      THR   6  -0.944   8.242  -0.580
   46    H    LEU   7           HN       LEU   7  -1.583   4.787  -1.816
   47    HA   LEU   7           HA       LEU   7  -1.036   3.384  -4.395
   48   1HB   LEU   7           HB2      LEU   7  -1.114   2.460  -1.623
   49   2HB   LEU   7           HB1      LEU   7  -2.224   1.551  -2.651
   50    HG   LEU   7           HG       LEU   7  -0.498   0.854  -4.094
   51   1HD1  LEU   7          HD13      LEU   7   1.086   3.102  -2.886
   52   2HD1  LEU   7          HD12      LEU   7   1.871   1.795  -3.773
   53   3HD1  LEU   7          HD11      LEU   7   0.694   2.821  -4.578
   54   1HD2  LEU   7          HD23      LEU   7  -0.214   0.446  -1.306
   55   2HD2  LEU   7          HD22      LEU   7   0.412  -0.577  -2.599
   56   3HD2  LEU   7          HD21      LEU   7   1.410   0.716  -1.936
   57    H    ALA   8           HN       ALA   8  -2.945   2.536  -5.413
   58    HA   ALA   8           HA       ALA   8  -5.422   4.014  -4.584
   59   1HB   ALA   8           HB1      ALA   8  -4.004   4.070  -6.914
   60   2HB   ALA   8           HB3      ALA   8  -5.196   2.825  -7.288
   61   3HB   ALA   8           HB2      ALA   8  -5.726   4.438  -6.810
   62    H    VAL   9           HN       VAL   9  -6.496   2.506  -3.279
   63    HA   VAL   9           HA       VAL   9  -7.028  -0.194  -4.482
   64    HB   VAL   9           HB       VAL   9  -5.839  -0.410  -2.419
   65   1HG1  VAL   9          HG13      VAL   9  -7.520   1.933  -1.627
   66   2HG1  VAL   9          HG12      VAL   9  -6.986   0.834  -0.356
   67   3HG1  VAL   9          HG11      VAL   9  -5.798   1.651  -1.372
   68   1HG2  VAL   9          HG22      VAL   9  -8.653  -1.089  -2.506
   69   2HG2  VAL   9          HG21      VAL   9  -7.319  -1.983  -1.778
   70   3HG2  VAL   9          HG23      VAL   9  -8.161  -0.743  -0.849
   71    HA   PRO  10           HA       PRO  10 -11.039   2.057  -4.540
   72   1HB   PRO  10           HB2      PRO  10 -11.784   0.812  -6.931
   73   2HB   PRO  10           HB1      PRO  10 -11.005   2.392  -6.790
   74   1HG   PRO  10           HG2      PRO  10  -9.887  -0.115  -7.785
   75   2HG   PRO  10           HG1      PRO  10  -9.229   1.520  -7.903
   76   1HD   PRO  10           HD2      PRO  10  -8.374  -0.600  -6.144
   77   2HD   PRO  10           HD1      PRO  10  -7.737   1.059  -6.244
   78    H    GLY  11           HN       GLY  11 -10.680  -0.316  -2.893
   79   1HA   GLY  11           HA2      GLY  11 -12.743  -2.206  -3.859
   80   2HA   GLY  11           HA1      GLY  11 -11.730  -2.424  -2.432
   81    H    MET  12           HN       MET  12 -12.203   0.246  -1.386
   82    HA   MET  12           HA       MET  12 -13.654   1.035   0.345
   83   1HB   MET  12           HB2      MET  12 -14.918   1.101  -2.372
   84   2HB   MET  12           HB1      MET  12 -15.919   1.568  -0.997
   85   1HG   MET  12           HG2      MET  12 -13.262   2.759  -0.857
   86   2HG   MET  12           HG1      MET  12 -14.107   3.209  -2.338
   87   1HE   MET  12           HE2      MET  12 -16.482   3.906  -2.450
   88   2HE   MET  12           HE1      MET  12 -17.225   2.904  -1.206
   89   3HE   MET  12           HE3      MET  12 -17.427   4.661  -1.169
   90    H    THR  13           HN       THR  13 -13.519  -1.751   0.477
   91    HA   THR  13           HA       THR  13 -16.019  -3.114   0.366
   92    HB   THR  13           HB       THR  13 -13.513  -3.832   0.720
   93    HG1  THR  13           HG1      THR  13 -15.056  -5.381   0.544
   94   1HG2  THR  13          HG23      THR  13 -13.904  -2.543   3.118
   95   2HG2  THR  13          HG22      THR  13 -14.128  -4.240   3.544
   96   3HG2  THR  13          HG21      THR  13 -12.631  -3.712   2.777
   97    H    CYS  14           HN       CYS  14 -14.970  -0.567   2.356
   98    HA   CYS  14           HA       CYS  14 -16.257   0.650   3.932
   99   1HB   CYS  14           HB2      CYS  14 -18.087  -1.106   2.975
  100   2HB   CYS  14           HB1      CYS  14 -17.954  -1.680   4.637
  101    HG   CYS  14           HG       CYS  14 -18.330   1.039   5.202
  102    H    ALA  15           HN       ALA  15 -14.459   0.681   5.292
  103    HA   ALA  15           HA       ALA  15 -13.464   0.358   7.411
  104   1HB   ALA  15           HB2      ALA  15 -16.071  -0.563   7.619
  105   2HB   ALA  15           HB1      ALA  15 -15.115  -1.932   8.185
  106   3HB   ALA  15           HB3      ALA  15 -14.947  -0.358   8.962
  107    H    ALA  16           HN       ALA  16 -12.818  -1.357   4.884
  108    HA   ALA  16           HA       ALA  16 -11.066  -3.215   6.403
  109   1HB   ALA  16           HB1      ALA  16 -13.533  -4.006   5.244
  110   2HB   ALA  16           HB3      ALA  16 -12.250  -4.711   4.259
  111   3HB   ALA  16           HB2      ALA  16 -12.312  -5.034   5.990
  112    H    CYS  17           HN       CYS  17 -12.049  -1.956   3.191
  113    HA   CYS  17           HA       CYS  17  -9.953  -2.821   1.578
  114   1HB   CYS  17           HB2      CYS  17 -11.941  -0.955   1.438
  115   2HB   CYS  17           HB1      CYS  17 -10.503   0.069   1.428
  116    HG   CYS  17           HG       CYS  17 -10.038  -0.672  -0.880
  117    HA   PRO  18           HA       PRO  18  -7.101   0.670   3.350
  118   1HB   PRO  18           HB2      PRO  18  -8.041   1.480   5.916
  119   2HB   PRO  18           HB1      PRO  18  -8.028   2.434   4.429
  120   1HG   PRO  18           HG2      PRO  18 -10.301   1.352   5.810
  121   2HG   PRO  18           HG1      PRO  18 -10.285   2.305   4.324
  122   1HD   PRO  18           HD2      PRO  18 -10.786  -0.535   4.635
  123   2HD   PRO  18           HD1      PRO  18 -10.893   0.446   3.157
  124    H    ILE  19           HN       ILE  19  -8.685  -1.573   5.572
  125    HA   ILE  19           HA       ILE  19  -6.466  -1.858   7.408
  126    HB   ILE  19           HB       ILE  19  -8.829  -3.636   6.733
  127   1HG1  ILE  19          HG12      ILE  19  -9.482  -1.352   7.407
  128   2HG1  ILE  19          HG11      ILE  19  -9.896  -2.517   8.664
  129   1HG2  ILE  19          HG21      ILE  19  -6.757  -4.509   8.104
  130   2HG2  ILE  19          HG23      ILE  19  -7.460  -3.537   9.397
  131   3HG2  ILE  19          HG22      ILE  19  -8.394  -4.843   8.669
  132   1HD1  ILE  19          HD13      ILE  19  -7.333  -1.816   9.370
  133   2HD1  ILE  19          HD12      ILE  19  -7.963  -0.299   8.728
  134   3HD1  ILE  19          HD11      ILE  19  -8.794  -1.106  10.057
  135    H    THR  20           HN       THR  20  -7.443  -3.490   4.446
  136    HA   THR  20           HA       THR  20  -5.497  -5.648   4.732
  137    HB   THR  20           HB       THR  20  -7.839  -4.964   3.252
  138    HG1  THR  20           HG1      THR  20  -7.134  -6.969   4.298
  139   1HG2  THR  20          HG22      THR  20  -5.410  -5.458   1.542
  140   2HG2  THR  20          HG21      THR  20  -7.020  -5.924   0.999
  141   3HG2  THR  20          HG23      THR  20  -6.661  -4.233   1.347
  142    H    VAL  21           HN       VAL  21  -5.937  -2.879   2.511
  143    HA   VAL  21           HA       VAL  21  -3.501  -3.106   1.134
  144    HB   VAL  21           HB       VAL  21  -5.018  -0.628   2.011
  145   1HG1  VAL  21          HG13      VAL  21  -3.039  -1.086  -0.243
  146   2HG1  VAL  21          HG12      VAL  21  -3.992   0.382  -0.026
  147   3HG1  VAL  21          HG11      VAL  21  -2.786  -0.074   1.178
  148   1HG2  VAL  21          HG21      VAL  21  -5.731  -2.787   0.281
  149   2HG2  VAL  21          HG23      VAL  21  -6.625  -1.297   0.582
  150   3HG2  VAL  21          HG22      VAL  21  -5.440  -1.366  -0.723
  151    H    LYS  22           HN       LYS  22  -4.263  -1.439   4.172
  152    HA   LYS  22           HA       LYS  22  -1.726  -0.285   4.693
  153   1HB   LYS  22           HB2      LYS  22  -3.671   0.219   6.034
  154   2HB   LYS  22           HB1      LYS  22  -3.878  -1.478   6.469
  155   1HG   LYS  22           HG2      LYS  22  -2.483  -1.244   8.219
  156   2HG   LYS  22           HG1      LYS  22  -1.212  -0.628   7.162
  157   1HD   LYS  22           HD2      LYS  22  -2.122   1.629   7.311
  158   2HD   LYS  22           HD1      LYS  22  -3.489   1.048   8.262
  159   1HE   LYS  22           HE2      LYS  22  -0.783   0.367   9.312
  160   2HE   LYS  22           HE1      LYS  22  -1.271   2.069   9.421
  161   1HZ   LYS  22           HZ2      LYS  22  -3.514   0.583  10.064
  162   2HZ   LYS  22           HZ1      LYS  22  -2.235  -0.152  10.907
  163   3HZ   LYS  22           HZ3      LYS  22  -2.557   1.498  11.128
  164    H    LYS  23           HN       LYS  23  -2.968  -3.372   6.026
  165    HA   LYS  23           HA       LYS  23  -0.304  -4.265   6.776
  166   1HB   LYS  23           HB2      LYS  23  -1.485  -6.106   7.683
  167   2HB   LYS  23           HB1      LYS  23  -2.628  -4.770   7.799
  168   1HG   LYS  23           HG2      LYS  23  -4.090  -6.042   6.646
  169   2HG   LYS  23           HG1      LYS  23  -3.044  -5.841   5.240
  170   1HD   LYS  23           HD2      LYS  23  -1.725  -7.821   5.972
  171   2HD   LYS  23           HD1      LYS  23  -2.849  -8.045   7.312
  172   1HE   LYS  23           HE2      LYS  23  -4.708  -8.383   5.743
  173   2HE   LYS  23           HE1      LYS  23  -3.621  -8.086   4.371
  174   1HZ   LYS  23           HZ1      LYS  23  -2.805 -10.052   6.381
  175   2HZ   LYS  23           HZ3      LYS  23  -4.016 -10.509   5.285
  176   3HZ   LYS  23           HZ2      LYS  23  -2.494 -10.020   4.711
  177    H    ALA  24           HN       ALA  24  -1.542  -3.952   3.730
  178    HA   ALA  24           HA       ALA  24  -0.802  -6.597   2.723
  179   1HB   ALA  24           HB3      ALA  24  -1.639  -3.979   1.445
  180   2HB   ALA  24           HB2      ALA  24  -1.384  -5.472   0.541
  181   3HB   ALA  24           HB1      ALA  24  -2.672  -5.376   1.743
  182    H    LEU  25           HN       LEU  25   0.161  -3.348   1.801
  183    HA   LEU  25           HA       LEU  25   2.773  -4.213   0.896
  184   1HB   LEU  25           HB2      LEU  25   3.059  -1.613   0.800
  185   2HB   LEU  25           HB1      LEU  25   1.940  -2.388  -0.306
  186    HG   LEU  25           HG       LEU  25   1.240  -0.247   1.020
  187   1HD1  LEU  25          HD11      LEU  25  -0.500  -2.636   0.543
  188   2HD1  LEU  25          HD13      LEU  25  -1.136  -1.081   1.074
  189   3HD1  LEU  25          HD12      LEU  25  -0.285  -1.212  -0.458
  190   1HD2  LEU  25          HD21      LEU  25   1.835  -1.344   3.228
  191   2HD2  LEU  25          HD23      LEU  25   0.297  -0.498   3.133
  192   3HD2  LEU  25          HD22      LEU  25   0.339  -2.251   3.053
  193    H    SER  26           HN       SER  26   1.410  -3.475   3.918
  194    HA   SER  26           HA       SER  26   3.899  -2.464   5.144
  195   1HB   SER  26           HB2      SER  26   1.680  -1.698   5.880
  196   2HB   SER  26           HB1      SER  26   1.226  -3.353   6.271
  197    HG   SER  26           HG       SER  26   3.364  -3.126   7.570
  198    H    LYS  27           HN       LYS  27   2.102  -5.555   4.918
  199    HA   LYS  27           HA       LYS  27   4.046  -6.785   6.772
  200   1HB   LYS  27           HB2      LYS  27   2.223  -8.017   7.249
  201   2HB   LYS  27           HB1      LYS  27   1.346  -7.223   5.957
  202   1HG   LYS  27           HG2      LYS  27   3.224  -9.513   5.387
  203   2HG   LYS  27           HG1      LYS  27   1.549  -9.797   5.854
  204   1HD   LYS  27           HD2      LYS  27   1.562  -7.769   3.844
  205   2HD   LYS  27           HD1      LYS  27   2.564  -9.104   3.274
  206   1HE   LYS  27           HE2      LYS  27  -0.031  -9.831   4.563
  207   2HE   LYS  27           HE1      LYS  27  -0.100  -9.123   2.937
  208   1HZ   LYS  27           HZ2      LYS  27   1.960 -10.758   2.646
  209   2HZ   LYS  27           HZ1      LYS  27   1.093 -11.634   3.815
  210   3HZ   LYS  27           HZ3      LYS  27   0.362 -11.244   2.336
  211    H    VAL  28           HN       VAL  28   3.823  -6.201   3.441
  212    HA   VAL  28           HA       VAL  28   4.745  -8.401   2.059
  213    HB   VAL  28           HB       VAL  28   5.486  -5.484   2.054
  214   1HG1  VAL  28          HG13      VAL  28   6.973  -7.686   0.742
  215   2HG1  VAL  28          HG12      VAL  28   6.541  -6.338  -0.308
  216   3HG1  VAL  28          HG11      VAL  28   7.503  -6.052   1.141
  217   1HG2  VAL  28          HG23      VAL  28   3.313  -6.505   1.127
  218   2HG2  VAL  28          HG22      VAL  28   4.213  -5.437   0.050
  219   3HG2  VAL  28          HG21      VAL  28   4.319  -7.186  -0.151
  220    H    GLU  29           HN       GLU  29   7.288  -6.138   3.005
  221    HA   GLU  29           HA       GLU  29   8.754  -7.767   4.818
  222   1HB   GLU  29           HB2      GLU  29   8.809  -8.515   1.978
  223   2HB   GLU  29           HB1      GLU  29  10.420  -8.285   2.660
  224   1HG   GLU  29           HG2      GLU  29   8.777  -9.716   4.542
  225   2HG   GLU  29           HG1      GLU  29   8.729 -10.529   2.978
  226    H    GLY  30           HN       GLY  30   9.509  -5.974   1.803
  227   1HA   GLY  30           HA2      GLY  30  11.735  -4.574   3.000
  228   2HA   GLY  30           HA1      GLY  30  10.984  -4.177   1.454
  229    H    VAL  31           HN       VAL  31   8.289  -3.994   2.785
  230    HA   VAL  31           HA       VAL  31   8.177  -1.195   3.242
  231    HB   VAL  31           HB       VAL  31   6.294  -2.713   2.699
  232   1HG1  VAL  31          HG13      VAL  31   7.169  -4.424   4.456
  233   2HG1  VAL  31          HG12      VAL  31   6.254  -3.462   5.615
  234   3HG1  VAL  31          HG11      VAL  31   5.427  -4.238   4.263
  235   1HG2  VAL  31          HG21      VAL  31   6.203  -0.409   4.044
  236   2HG2  VAL  31          HG23      VAL  31   4.743  -1.359   3.773
  237   3HG2  VAL  31          HG22      VAL  31   5.582  -1.454   5.321
  238    H    SER  32           HN       SER  32   8.302   0.052   4.976
  239    HA   SER  32           HA       SER  32   9.161  -1.232   7.548
  240   1HB   SER  32           HB2      SER  32  10.362   0.766   5.812
  241   2HB   SER  32           HB1      SER  32  10.135   1.401   7.439
  242    HG   SER  32           HG       SER  32  11.595  -0.856   6.574
  243    H    LYS  33           HN       LYS  33   6.877   0.728   5.973
  244    HA   LYS  33           HA       LYS  33   5.502   1.257   8.520
  245   1HB   LYS  33           HB2      LYS  33   6.839   3.125   8.780
  246   2HB   LYS  33           HB1      LYS  33   7.114   3.299   7.051
  247   1HG   LYS  33           HG2      LYS  33   4.873   4.213   6.743
  248   2HG   LYS  33           HG1      LYS  33   4.488   3.917   8.439
  249   1HD   LYS  33           HD2      LYS  33   5.793   5.666   9.189
  250   2HD   LYS  33           HD1      LYS  33   6.905   5.560   7.825
  251   1HE   LYS  33           HE2      LYS  33   5.738   7.132   6.686
  252   2HE   LYS  33           HE1      LYS  33   4.225   6.233   6.913
  253   1HZ   LYS  33           HZ2      LYS  33   4.502   7.046   9.354
  254   2HZ   LYS  33           HZ1      LYS  33   5.450   8.266   8.648
  255   3HZ   LYS  33           HZ3      LYS  33   3.826   8.083   8.191
  256    H    VAL  34           HN       VAL  34   3.388   2.491   8.056
  257    HA   VAL  34           HA       VAL  34   2.478   2.653   5.296
  258    HB   VAL  34           HB       VAL  34   2.643   0.219   5.698
  259   1HG1  VAL  34          HG13      VAL  34   0.953   0.979   8.061
  260   2HG1  VAL  34          HG12      VAL  34   0.766  -0.620   7.341
  261   3HG1  VAL  34          HG11      VAL  34   2.330  -0.121   7.984
  262   1HG2  VAL  34          HG22      VAL  34   0.840   1.211   4.244
  263   2HG2  VAL  34          HG21      VAL  34   0.402  -0.338   4.959
  264   3HG2  VAL  34          HG23      VAL  34  -0.242   1.154   5.637
  265    H    ASP  35           HN       ASP  35   0.219   3.318   5.160
  266    HA   ASP  35           HA       ASP  35  -1.263   3.885   7.638
  267   1HB   ASP  35           HB2      ASP  35   0.618   5.719   6.613
  268   2HB   ASP  35           HB1      ASP  35  -0.960   6.354   6.144
  269    H    VAL  36           HN       VAL  36  -3.439   4.825   7.079
  270    HA   VAL  36           HA       VAL  36  -4.214   4.107   4.271
  271    HB   VAL  36           HB       VAL  36  -6.377   3.495   5.275
  272   1HG1  VAL  36          HG12      VAL  36  -4.114   2.057   5.425
  273   2HG1  VAL  36          HG11      VAL  36  -4.436   2.228   7.151
  274   3HG1  VAL  36          HG13      VAL  36  -5.637   1.478   6.099
  275   1HG2  VAL  36          HG22      VAL  36  -5.334   5.106   7.442
  276   2HG2  VAL  36          HG21      VAL  36  -6.976   4.513   7.196
  277   3HG2  VAL  36          HG23      VAL  36  -5.793   3.511   8.036
  278    H    GLY  37           HN       GLY  37  -5.770   5.474   3.232
  279   1HA   GLY  37           HA2      GLY  37  -6.509   7.993   4.613
  280   2HA   GLY  37           HA1      GLY  37  -5.600   8.123   3.106
  281    H    PHE  38           HN       PHE  38  -8.609   6.828   4.491
  282    HA   PHE  38           HA       PHE  38  -9.861   5.997   2.087
  283   1HB   PHE  38           HB2      PHE  38 -10.467   6.320   4.823
  284   2HB   PHE  38           HB1      PHE  38 -11.701   7.234   3.954
  285    HD1  PHE  38           HD1      PHE  38 -11.877   5.687   1.424
  286    HD2  PHE  38           HD2      PHE  38 -11.595   4.344   5.494
  287    HE1  PHE  38           HE1      PHE  38 -13.014   3.572   0.804
  288    HE2  PHE  38           HE2      PHE  38 -12.733   2.228   4.874
  289    HZ   PHE  38           HZ       PHE  38 -13.451   1.843   2.532
  290    H    GLU  39           HN       GLU  39  -9.129   9.198   3.223
  291    HA   GLU  39           HA       GLU  39 -11.124  10.801   2.070
  292   1HB   GLU  39           HB2      GLU  39  -8.530  11.069   3.133
  293   2HB   GLU  39           HB1      GLU  39  -8.443  11.798   1.529
  294   1HG   GLU  39           HG2      GLU  39 -10.500  12.463   3.655
  295   2HG   GLU  39           HG1      GLU  39  -9.122  13.469   3.210
  296    H    LYS  40           HN       LYS  40  -8.201   9.469   0.508
  297    HA   LYS  40           HA       LYS  40  -9.483   9.969  -2.155
  298   1HB   LYS  40           HB2      LYS  40  -6.675  10.100  -1.089
  299   2HB   LYS  40           HB1      LYS  40  -6.930   9.770  -2.804
  300   1HG   LYS  40           HG2      LYS  40  -7.609  11.894  -3.234
  301   2HG   LYS  40           HG1      LYS  40  -8.565  11.983  -1.755
  302   1HD   LYS  40           HD2      LYS  40  -6.549  12.389  -0.433
  303   2HD   LYS  40           HD1      LYS  40  -5.544  12.211  -1.872
  304   1HE   LYS  40           HE2      LYS  40  -7.667  14.348  -1.460
  305   2HE   LYS  40           HE1      LYS  40  -5.911  14.601  -1.415
  306   1HZ   LYS  40           HZ3      LYS  40  -5.920  13.463  -3.679
  307   2HZ   LYS  40           HZ2      LYS  40  -7.591  13.772  -3.704
  308   3HZ   LYS  40           HZ1      LYS  40  -6.488  15.060  -3.615
  309    H    ARG  41           HN       ARG  41  -9.670   7.625  -0.242
  310    HA   ARG  41           HA       ARG  41  -9.436   5.275  -0.269
  311   1HB   ARG  41           HB2      ARG  41 -10.790   6.351  -2.463
  312   2HB   ARG  41           HB1      ARG  41  -9.716   5.141  -3.166
  313   1HG   ARG  41           HG2      ARG  41 -11.725   4.702  -0.936
  314   2HG   ARG  41           HG1      ARG  41 -11.804   4.048  -2.572
  315   1HD   ARG  41           HD2      ARG  41 -10.811   2.219  -1.574
  316   2HD   ARG  41           HD1      ARG  41  -9.333   3.166  -1.804
  317    HE   ARG  41           HE       ARG  41 -10.568   4.082   0.584
  318   1HH1  ARG  41          HH21      ARG  41  -9.173   1.195  -0.693
  319   2HH1  ARG  41          HH22      ARG  41  -8.661   0.610   0.849
  320   1HH2  ARG  41          HH11      ARG  41  -9.895   3.324   2.594
  321   2HH2  ARG  41          HH12      ARG  41  -9.062   1.811   2.694
  322    H    GLU  42           HN       GLU  42  -6.932   6.126  -0.040
  323    HA   GLU  42           HA       GLU  42  -5.425   4.340  -1.870
  324   1HB   GLU  42           HB2      GLU  42  -3.746   6.310  -2.077
  325   2HB   GLU  42           HB1      GLU  42  -5.233   6.414  -3.020
  326   1HG   GLU  42           HG2      GLU  42  -6.079   8.123  -1.754
  327   2HG   GLU  42           HG1      GLU  42  -5.361   7.512  -0.263
  328    H    ALA  43           HN       ALA  43  -3.316   3.736  -0.936
  329    HA   ALA  43           HA       ALA  43  -3.219   4.256   2.020
  330   1HB   ALA  43           HB3      ALA  43  -2.414   1.947   0.238
  331   2HB   ALA  43           HB2      ALA  43  -1.890   2.055   1.918
  332   3HB   ALA  43           HB1      ALA  43  -3.608   1.953   1.536
  333    H    VAL  44           HN       VAL  44  -1.310   5.106   2.877
  334    HA   VAL  44           HA       VAL  44   0.824   5.792   0.895
  335    HB   VAL  44           HB       VAL  44  -0.429   7.577   2.172
  336   1HG1  VAL  44          HG13      VAL  44  -0.447   6.025   4.275
  337   2HG1  VAL  44          HG12      VAL  44   1.146   6.714   4.585
  338   3HG1  VAL  44          HG11      VAL  44  -0.268   7.764   4.502
  339   1HG2  VAL  44          HG23      VAL  44   2.397   7.253   1.802
  340   2HG2  VAL  44          HG22      VAL  44   1.459   8.746   1.800
  341   3HG2  VAL  44          HG21      VAL  44   2.127   8.128   3.310
  342    H    VAL  45           HN       VAL  45   2.280   4.123   0.950
  343    HA   VAL  45           HA       VAL  45   3.074   3.025   3.611
  344    HB   VAL  45           HB       VAL  45   2.074   1.653   1.695
  345   1HG1  VAL  45          HG12      VAL  45   3.502   2.814  -0.043
  346   2HG1  VAL  45          HG11      VAL  45   4.877   1.908   0.588
  347   3HG1  VAL  45          HG13      VAL  45   3.512   1.053  -0.130
  348   1HG2  VAL  45          HG22      VAL  45   4.418   1.114   3.387
  349   2HG2  VAL  45          HG21      VAL  45   2.963   0.147   3.146
  350   3HG2  VAL  45          HG23      VAL  45   4.293   0.041   1.993
  351    H    THR  46           HN       THR  46   5.223   2.818   4.151
  352    HA   THR  46           HA       THR  46   7.225   4.320   2.498
  353    HB   THR  46           HB       THR  46   6.648   4.034   5.442
  354    HG1  THR  46           HG1      THR  46   5.970   5.930   4.763
  355   1HG2  THR  46          HG21      THR  46   9.331   4.355   4.155
  356   2HG2  THR  46          HG23      THR  46   8.992   5.245   5.638
  357   3HG2  THR  46          HG22      THR  46   8.891   3.485   5.624
  358    H    PHE  47           HN       PHE  47   9.378   3.212   2.413
  359    HA   PHE  47           HA       PHE  47   9.662   0.624   3.710
  360   1HB   PHE  47           HB2      PHE  47   9.400  -0.729   1.680
  361   2HB   PHE  47           HB1      PHE  47   7.922   0.174   2.009
  362    HD1  PHE  47           HD2      PHE  47  11.038   0.165  -0.057
  363    HD2  PHE  47           HD1      PHE  47   7.091   1.780   0.496
  364    HE1  PHE  47           HE2      PHE  47  11.164   1.228  -2.285
  365    HE2  PHE  47           HE1      PHE  47   7.212   2.841  -1.738
  366    HZ   PHE  47           HZ       PHE  47   9.237   2.564  -3.131
  367    H    ASP  48           HN       ASP  48  11.401  -0.688   2.404
  368    HA   ASP  48           HA       ASP  48  13.607   1.227   1.798
  369   1HB   ASP  48           HB2      ASP  48  14.974  -0.931   2.287
  370   2HB   ASP  48           HB1      ASP  48  14.182  -0.148   3.652
  371    H    ASP  49           HN       ASP  49  13.864   1.441  -0.376
  372    HA   ASP  49           HA       ASP  49  12.697  -0.381  -2.263
  373   1HB   ASP  49           HB2      ASP  49  12.999   1.896  -2.880
  374   2HB   ASP  49           HB1      ASP  49  14.696   1.882  -2.398
  375    H    THR  50           HN       THR  50  15.424  -0.781  -0.373
  376    HA   THR  50           HA       THR  50  17.283  -1.976  -2.213
  377    HB   THR  50           HB       THR  50  17.916  -1.213   0.014
  378    HG1  THR  50           HG1      THR  50  17.983  -4.042  -0.175
  379   1HG2  THR  50          HG21      THR  50  15.474  -2.359   0.766
  380   2HG2  THR  50          HG23      THR  50  16.698  -3.349   1.562
  381   3HG2  THR  50          HG22      THR  50  16.657  -1.608   1.838
  382    H    LYS  51           HN       LYS  51  14.204  -3.000  -1.228
  383    HA   LYS  51           HA       LYS  51  14.817  -5.782  -2.107
  384   1HB   LYS  51           HB2      LYS  51  13.619  -4.758   0.423
  385   2HB   LYS  51           HB1      LYS  51  12.984  -6.268  -0.232
  386   1HG   LYS  51           HG2      LYS  51  15.405  -7.059  -0.407
  387   2HG   LYS  51           HG1      LYS  51  15.836  -5.654   0.569
  388   1HD   LYS  51           HD2      LYS  51  15.123  -6.650   2.461
  389   2HD   LYS  51           HD1      LYS  51  13.582  -7.085   1.722
  390   1HE   LYS  51           HE2      LYS  51  14.265  -9.221   1.335
  391   2HE   LYS  51           HE1      LYS  51  15.835  -8.683   0.704
  392   1HZ   LYS  51           HZ2      LYS  51  15.361  -8.233   3.539
  393   2HZ   LYS  51           HZ1      LYS  51  15.561  -9.856   3.076
  394   3HZ   LYS  51           HZ3      LYS  51  16.778  -8.723   2.740
  395    H    ALA  52           HN       ALA  52  12.162  -3.585  -1.271
  396    HA   ALA  52           HA       ALA  52  10.693  -4.566  -3.693
  397   1HB   ALA  52           HB2      ALA  52   9.968  -4.421  -0.815
  398   2HB   ALA  52           HB1      ALA  52   8.712  -3.970  -1.965
  399   3HB   ALA  52           HB3      ALA  52   9.446  -5.569  -2.048
  400    H    SER  53           HN       SER  53   8.498  -2.851  -3.399
  401    HA   SER  53           HA       SER  53   8.957  -0.139  -2.848
  402   1HB   SER  53           HB2      SER  53   9.510   0.480  -5.356
  403   2HB   SER  53           HB1      SER  53  10.811  -0.023  -4.282
  404    HG   SER  53           HG       SER  53  10.803  -1.145  -6.300
  405    H    VAL  54           HN       VAL  54   7.710   1.184  -4.862
  406    HA   VAL  54           HA       VAL  54   5.021   0.889  -4.663
  407    HB   VAL  54           HB       VAL  54   6.854   1.602  -6.929
  408   1HG1  VAL  54          HG12      VAL  54   3.886   1.190  -7.094
  409   2HG1  VAL  54          HG11      VAL  54   4.616   2.528  -7.983
  410   3HG1  VAL  54          HG13      VAL  54   5.126   0.871  -8.305
  411   1HG2  VAL  54          HG22      VAL  54   4.932   3.019  -5.087
  412   2HG2  VAL  54          HG21      VAL  54   6.673   3.255  -5.238
  413   3HG2  VAL  54          HG23      VAL  54   5.592   3.809  -6.517
  414    H    GLN  55           HN       GLN  55   6.785  -0.741  -7.335
  415    HA   GLN  55           HA       GLN  55   4.776  -2.268  -8.443
  416   1HB   GLN  55           HB2      GLN  55   6.987  -2.334  -9.325
  417   2HB   GLN  55           HB1      GLN  55   7.662  -2.899  -7.797
  418   1HG   GLN  55           HG2      GLN  55   6.746  -5.066  -8.060
  419   2HG   GLN  55           HG1      GLN  55   5.620  -4.530  -9.307
  420   1HE2  GLN  55          HE22      GLN  55   8.061  -5.981 -11.492
  421   2HE2  GLN  55          HE21      GLN  55   6.583  -6.272 -10.709
  422    H    LYS  56           HN       LYS  56   6.678  -3.222  -5.554
  423    HA   LYS  56           HA       LYS  56   5.090  -5.631  -5.139
  424   1HB   LYS  56           HB2      LYS  56   7.207  -5.945  -4.333
  425   2HB   LYS  56           HB1      LYS  56   7.436  -4.233  -3.998
  426   1HG   LYS  56           HG2      LYS  56   5.567  -5.873  -2.298
  427   2HG   LYS  56           HG1      LYS  56   7.304  -5.893  -1.989
  428   1HD   LYS  56           HD2      LYS  56   6.820  -3.204  -2.277
  429   2HD   LYS  56           HD1      LYS  56   5.337  -3.754  -1.500
  430   1HE   LYS  56           HE2      LYS  56   6.397  -4.203   0.477
  431   2HE   LYS  56           HE1      LYS  56   7.818  -4.882  -0.339
  432   1HZ   LYS  56           HZ2      LYS  56   7.628  -2.156  -0.992
  433   2HZ   LYS  56           HZ1      LYS  56   7.510  -2.297   0.696
  434   3HZ   LYS  56           HZ3      LYS  56   8.851  -2.943  -0.115
  435    H    LEU  57           HN       LEU  57   4.840  -2.306  -3.984
  436    HA   LEU  57           HA       LEU  57   3.227  -2.933  -1.657
  437   1HB   LEU  57           HB2      LEU  57   3.441  -0.425  -3.360
  438   2HB   LEU  57           HB1      LEU  57   2.798  -0.503  -1.722
  439    HG   LEU  57           HG       LEU  57   5.646  -1.239  -2.492
  440   1HD1  LEU  57          HD13      LEU  57   4.308   1.302  -1.852
  441   2HD1  LEU  57          HD12      LEU  57   5.713   0.973  -0.838
  442   3HD1  LEU  57          HD11      LEU  57   5.883   1.018  -2.593
  443   1HD2  LEU  57          HD21      LEU  57   4.489  -2.279  -0.390
  444   2HD2  LEU  57          HD23      LEU  57   6.057  -1.503  -0.175
  445   3HD2  LEU  57          HD22      LEU  57   4.585  -0.651   0.280
  446    H    THR  58           HN       THR  58   2.421  -1.541  -4.856
  447    HA   THR  58           HA       THR  58  -0.398  -1.715  -4.673
  448    HB   THR  58           HB       THR  58   1.601  -1.866  -6.943
  449    HG1  THR  58           HG1      THR  58   0.044   0.076  -5.677
  450   1HG2  THR  58          HG22      THR  58  -0.526  -3.030  -7.567
  451   2HG2  THR  58          HG21      THR  58  -1.403  -1.549  -7.182
  452   3HG2  THR  58          HG23      THR  58  -0.238  -1.563  -8.504
  453    H    LYS  59           HN       LYS  59   2.041  -4.162  -5.459
  454    HA   LYS  59           HA       LYS  59   0.147  -6.121  -6.405
  455   1HB   LYS  59           HB2      LYS  59   2.775  -5.766  -6.676
  456   2HB   LYS  59           HB1      LYS  59   2.817  -6.838  -5.277
  457   1HG   LYS  59           HG2      LYS  59   1.954  -8.631  -6.450
  458   2HG   LYS  59           HG1      LYS  59   1.052  -7.602  -7.563
  459   1HD   LYS  59           HD2      LYS  59   2.716  -7.780  -9.065
  460   2HD   LYS  59           HD1      LYS  59   3.820  -7.023  -7.917
  461   1HE   LYS  59           HE2      LYS  59   3.468  -9.694  -7.023
  462   2HE   LYS  59           HE1      LYS  59   3.757  -9.775  -8.773
  463   1HZ   LYS  59           HZ2      LYS  59   5.489  -7.913  -8.181
  464   2HZ   LYS  59           HZ1      LYS  59   5.462  -8.669  -6.660
  465   3HZ   LYS  59           HZ3      LYS  59   5.894  -9.556  -8.039
  466    H    ALA  60           HN       ALA  60   1.568  -5.299  -3.277
  467    HA   ALA  60           HA       ALA  60   0.764  -7.687  -1.911
  468   1HB   ALA  60           HB2      ALA  60   2.484  -5.859  -1.292
  469   2HB   ALA  60           HB1      ALA  60   1.099  -4.935  -0.711
  470   3HB   ALA  60           HB3      ALA  60   1.490  -6.492   0.020
  471    H    THR  61           HN       THR  61  -0.733  -4.480  -2.325
  472    HA   THR  61           HA       THR  61  -3.072  -5.141  -0.739
  473    HB   THR  61           HB       THR  61  -2.096  -2.840  -1.246
  474    HG1  THR  61           HG1      THR  61  -4.533  -3.585  -0.889
  475   1HG2  THR  61          HG23      THR  61  -3.412  -3.394  -3.918
  476   2HG2  THR  61          HG22      THR  61  -2.785  -1.830  -3.400
  477   3HG2  THR  61          HG21      THR  61  -1.683  -3.186  -3.636
  478    H    ALA  62           HN       ALA  62  -2.099  -5.305  -4.070
  479    HA   ALA  62           HA       ALA  62  -4.647  -5.891  -5.247
  480   1HB   ALA  62           HB2      ALA  62  -1.783  -6.572  -5.989
  481   2HB   ALA  62           HB1      ALA  62  -3.155  -6.832  -7.066
  482   3HB   ALA  62           HB3      ALA  62  -2.723  -5.197  -6.567
  483    H    ASP  63           HN       ASP  63  -2.199  -7.777  -3.576
  484    HA   ASP  63           HA       ASP  63  -3.583 -10.328  -4.151
  485   1HB   ASP  63           HB2      ASP  63  -0.969  -9.367  -3.260
  486   2HB   ASP  63           HB1      ASP  63  -1.546 -10.714  -2.276
  487    H    ALA  64           HN       ALA  64  -3.765  -7.780  -1.914
  488    HA   ALA  64           HA       ALA  64  -4.518  -9.389   0.422
  489   1HB   ALA  64           HB2      ALA  64  -3.378  -7.106   0.388
  490   2HB   ALA  64           HB1      ALA  64  -4.924  -6.434  -0.133
  491   3HB   ALA  64           HB3      ALA  64  -4.788  -7.218   1.441
  492    H    GLY  65           HN       GLY  65  -6.034  -7.935  -2.357
  493   1HA   GLY  65           HA2      GLY  65  -8.311  -9.210  -2.664
  494   2HA   GLY  65           HA1      GLY  65  -8.720  -8.394  -1.161
  495    H    TYR  66           HN       TYR  66  -6.732  -6.474  -3.254
  496    HA   TYR  66           HA       TYR  66  -9.145  -5.222  -4.486
  497   1HB   TYR  66           HB2      TYR  66  -7.074  -3.816  -2.783
  498   2HB   TYR  66           HB1      TYR  66  -8.422  -3.036  -3.605
  499    HD1  TYR  66           HD1      TYR  66 -10.785  -4.095  -3.083
  500    HD2  TYR  66           HD2      TYR  66  -7.296  -4.423  -0.622
  501    HE1  TYR  66           HE1      TYR  66 -12.221  -4.515  -1.122
  502    HE2  TYR  66           HE2      TYR  66  -8.718  -4.827   1.349
  503    HH   TYR  66           HH       TYR  66 -10.941  -5.611   1.893
  504    HA   PRO  67           HA       PRO  67  -5.973  -5.178  -7.751
  505   1HB   PRO  67           HB2      PRO  67  -7.972  -3.852  -9.374
  506   2HB   PRO  67           HB1      PRO  67  -7.371  -5.505  -9.531
  507   1HG   PRO  67           HG2      PRO  67  -9.940  -4.670  -8.595
  508   2HG   PRO  67           HG1      PRO  67  -9.312  -6.317  -8.692
  509   1HD   PRO  67           HD2      PRO  67  -9.784  -4.738  -6.318
  510   2HD   PRO  67           HD1      PRO  67  -9.156  -6.402  -6.417
  511    H    SER  68           HN       SER  68  -4.695  -3.505  -6.759
  512    HA   SER  68           HA       SER  68  -5.807  -0.738  -6.865
  513   1HB   SER  68           HB2      SER  68  -4.603  -0.403  -4.925
  514   2HB   SER  68           HB1      SER  68  -4.804  -2.148  -4.827
  515    HG   SER  68           HG       SER  68  -2.555  -0.656  -5.216
  516    H    SER  69           HN       SER  69  -3.559   0.731  -6.678
  517    HA   SER  69           HA       SER  69  -1.706   0.121  -8.904
  518   1HB   SER  69           HB2      SER  69  -2.384   2.010 -10.176
  519   2HB   SER  69           HB1      SER  69  -3.909   1.293  -9.661
  520    HG   SER  69           HG       SER  69  -4.250   3.212  -8.861
  521    H    VAL  70           HN       VAL  70  -0.511   2.640  -9.005
  522    HA   VAL  70           HA       VAL  70   0.069   3.304  -6.170
  523    HB   VAL  70           HB       VAL  70   1.482   1.502  -7.358
  524   1HG1  VAL  70          HG12      VAL  70   1.696   3.272  -9.349
  525   2HG1  VAL  70          HG11      VAL  70   3.098   3.783  -8.410
  526   3HG1  VAL  70          HG13      VAL  70   2.986   2.123  -8.994
  527   1HG2  VAL  70          HG21      VAL  70   2.121   3.603  -5.497
  528   2HG2  VAL  70          HG23      VAL  70   2.746   1.954  -5.545
  529   3HG2  VAL  70          HG22      VAL  70   3.548   3.230  -6.461
  530    H    LYS  71           HN       LYS  71   1.155   5.381  -5.900
  531    HA   LYS  71           HA       LYS  71   0.925   7.154  -8.310
  532   1HB   LYS  71           HB2      LYS  71   0.530   8.311  -5.600
  533   2HB   LYS  71           HB1      LYS  71  -0.319   8.677  -7.099
  534   1HG   LYS  71           HG2      LYS  71  -1.594   6.592  -6.912
  535   2HG   LYS  71           HG1      LYS  71  -0.711   6.168  -5.444
  536   1HD   LYS  71           HD2      LYS  71  -2.298   7.269  -4.287
  537   2HD   LYS  71           HD1      LYS  71  -1.645   8.758  -4.971
  538   1HE   LYS  71           HE2      LYS  71  -3.659   9.051  -5.980
  539   2HE   LYS  71           HE1      LYS  71  -3.252   7.665  -7.012
  540   1HZ   LYS  71           HZ2      LYS  71  -4.039   6.203  -5.201
  541   2HZ   LYS  71           HZ1      LYS  71  -4.576   7.574  -4.354
  542   3HZ   LYS  71           HZ3      LYS  71  -5.275   7.174  -5.846
  543    H    GLN  72           HN       GLN  72   3.104   5.673  -6.995
  544    HA   GLN  72           HA       GLN  72   5.327   6.039  -6.183
  545   1HB   GLN  72           HB2      GLN  72   4.947   8.331  -8.138
  546   2HB   GLN  72           HB1      GLN  72   6.474   7.551  -7.724
  547   1HG   GLN  72           HG2      GLN  72   5.950   5.599  -8.884
  548   2HG   GLN  72           HG1      GLN  72   4.212   5.880  -8.772
  549   1HE2  GLN  72          HE22      GLN  72   5.714   6.799 -12.207
  550   2HE2  GLN  72          HE21      GLN  72   6.063   5.477 -11.201
   
  No H/Q in entry =         550
  Start of MODEL   18
    1   1H    ALA   1           HT3      ALA   1  16.952   4.727   4.880
    2   2H    ALA   1           HT2      ALA   1  18.469   5.283   4.354
    3   3H    ALA   1           HT1      ALA   1  17.121   6.317   4.316
    4    HA   ALA   1           HA       ALA   1  17.056   5.721   2.142
    5   1HB   ALA   1           HB2      ALA   1  19.230   4.509   2.622
    6   2HB   ALA   1           HB1      ALA   1  18.269   3.072   2.973
    7   3HB   ALA   1           HB3      ALA   1  18.248   3.775   1.355
    8    H    THR   2           HN       THR   2  14.810   5.524   3.695
    9    HA   THR   2           HA       THR   2  13.625   2.897   3.228
   10    HB   THR   2           HB       THR   2  13.668   4.077   5.471
   11    HG1  THR   2           HG1      THR   2  11.424   3.773   5.831
   12   1HG2  THR   2          HG23      THR   2  12.833   6.243   3.824
   13   2HG2  THR   2          HG22      THR   2  11.530   5.901   4.962
   14   3HG2  THR   2          HG21      THR   2  13.151   6.255   5.558
   15    H    GLN   3           HN       GLN   3  11.198   4.614   3.354
   16    HA   GLN   3           HA       GLN   3  11.074   6.230   0.980
   17   1HB   GLN   3           HB2      GLN   3  10.803   3.339   0.787
   18   2HB   GLN   3           HB1      GLN   3   9.395   4.178   0.136
   19   1HG   GLN   3           HG2      GLN   3  12.056   5.289  -0.584
   20   2HG   GLN   3           HG1      GLN   3  11.610   3.753  -1.328
   21   1HE2  GLN   3          HE22      GLN   3   9.722   5.511  -3.730
   22   2HE2  GLN   3          HE21      GLN   3  10.885   4.317  -3.411
   23    H    THR   4           HN       THR   4   8.990   7.145   0.625
   24    HA   THR   4           HA       THR   4   6.805   6.378   2.501
   25    HB   THR   4           HB       THR   4   7.972   9.164   2.149
   26    HG1  THR   4           HG1      THR   4   9.219   7.713   3.433
   27   1HG2  THR   4          HG22      THR   4   5.664   8.089   3.783
   28   2HG2  THR   4          HG21      THR   4   6.409   9.659   4.086
   29   3HG2  THR   4          HG23      THR   4   5.613   9.344   2.545
   30    H    VAL   5           HN       VAL   5   5.268   5.870   0.954
   31    HA   VAL   5           HA       VAL   5   4.564   7.979  -1.068
   32    HB   VAL   5           HB       VAL   5   4.605   5.043  -1.720
   33   1HG1  VAL   5          HG13      VAL   5   4.777   7.615  -3.299
   34   2HG1  VAL   5          HG12      VAL   5   4.978   6.018  -4.016
   35   3HG1  VAL   5          HG11      VAL   5   3.439   6.467  -3.278
   36   1HG2  VAL   5          HG23      VAL   5   6.921   6.988  -1.988
   37   2HG2  VAL   5          HG22      VAL   5   6.879   5.571  -0.939
   38   3HG2  VAL   5          HG21      VAL   5   6.871   5.372  -2.692
   39    H    THR   6           HN       THR   6   2.386   7.579  -1.949
   40    HA   THR   6           HA       THR   6   0.609   6.299   0.065
   41    HB   THR   6           HB       THR   6  -1.037   7.828  -1.261
   42    HG1  THR   6           HG1      THR   6   1.337   9.226  -1.811
   43   1HG2  THR   6          HG23      THR   6   0.951   8.480   0.807
   44   2HG2  THR   6          HG22      THR   6   0.245   9.880   0.001
   45   3HG2  THR   6          HG21      THR   6  -0.798   8.714   0.814
   46    H    LEU   7           HN       LEU   7  -1.321   5.211  -0.985
   47    HA   LEU   7           HA       LEU   7  -0.693   4.309  -3.763
   48   1HB   LEU   7           HB2      LEU   7  -0.592   2.820  -1.281
   49   2HB   LEU   7           HB1      LEU   7  -1.791   2.116  -2.363
   50    HG   LEU   7           HG       LEU   7  -0.175   1.866  -4.108
   51   1HD1  LEU   7          HD12      LEU   7   1.494   3.641  -2.365
   52   2HD1  LEU   7          HD11      LEU   7   2.246   2.587  -3.563
   53   3HD1  LEU   7          HD13      LEU   7   1.099   3.820  -4.068
   54   1HD2  LEU   7          HD22      LEU   7   0.886   1.091  -1.395
   55   2HD2  LEU   7          HD21      LEU   7   0.066   0.062  -2.572
   56   3HD2  LEU   7          HD23      LEU   7   1.710   0.620  -2.879
   57    H    ALA   8           HN       ALA   8  -2.576   3.513  -4.891
   58    HA   ALA   8           HA       ALA   8  -5.117   4.698  -3.830
   59   1HB   ALA   8           HB3      ALA   8  -3.870   4.314  -6.541
   60   2HB   ALA   8           HB2      ALA   8  -5.619   4.501  -6.408
   61   3HB   ALA   8           HB1      ALA   8  -4.549   5.778  -5.831
   62    H    VAL   9           HN       VAL   9  -6.257   3.012  -2.869
   63    HA   VAL   9           HA       VAL   9  -6.461   0.439  -4.402
   64    HB   VAL   9           HB       VAL   9  -5.357   0.085  -2.313
   65   1HG1  VAL   9          HG12      VAL   9  -7.272   2.166  -1.368
   66   2HG1  VAL   9          HG11      VAL   9  -6.767   0.947  -0.197
   67   3HG1  VAL   9          HG13      VAL   9  -5.561   1.959  -0.992
   68   1HG2  VAL   9          HG22      VAL   9  -8.144  -0.777  -2.571
   69   2HG2  VAL   9          HG21      VAL   9  -6.723  -1.698  -2.086
   70   3HG2  VAL   9          HG23      VAL   9  -7.595  -0.735  -0.897
   71    HA   PRO  10           HA       PRO  10 -10.671   2.209  -4.573
   72   1HB   PRO  10           HB2      PRO  10 -11.234   0.676  -6.865
   73   2HB   PRO  10           HB1      PRO  10 -10.687   2.355  -6.834
   74   1HG   PRO  10           HG2      PRO  10  -9.227   0.000  -7.692
   75   2HG   PRO  10           HG1      PRO  10  -8.749   1.697  -7.809
   76   1HD   PRO  10           HD2      PRO  10  -7.774  -0.313  -5.961
   77   2HD   PRO  10           HD1      PRO  10  -7.247   1.381  -6.124
   78    H    GLY  11           HN       GLY  11  -9.918  -0.226  -2.929
   79   1HA   GLY  11           HA2      GLY  11 -11.668  -2.395  -3.603
   80   2HA   GLY  11           HA1      GLY  11 -10.989  -2.088  -2.001
   81    H    MET  12           HN       MET  12 -12.003   0.395  -1.426
   82    HA   MET  12           HA       MET  12 -13.926   1.173  -0.257
   83   1HB   MET  12           HB2      MET  12 -15.556   1.931  -1.912
   84   2HB   MET  12           HB1      MET  12 -13.941   2.076  -2.597
   85   1HG   MET  12           HG2      MET  12 -14.226   0.005  -3.842
   86   2HG   MET  12           HG1      MET  12 -15.788  -0.279  -3.075
   87   1HE   MET  12           HE1      MET  12 -16.460  -0.821  -5.111
   88   2HE   MET  12           HE3      MET  12 -17.812   0.254  -5.494
   89   3HE   MET  12           HE2      MET  12 -16.449   0.118  -6.602
   90    H    THR  13           HN       THR  13 -13.684  -1.523   0.287
   91    HA   THR  13           HA       THR  13 -16.206  -2.897  -0.332
   92    HB   THR  13           HB       THR  13 -13.712  -3.738  -0.001
   93    HG1  THR  13           HG1      THR  13 -15.020  -5.335  -0.444
   94   1HG2  THR  13          HG21      THR  13 -14.118  -2.812   2.521
   95   2HG2  THR  13          HG23      THR  13 -14.567  -4.507   2.709
   96   3HG2  THR  13          HG22      THR  13 -12.967  -4.081   2.105
   97    H    CYS  14           HN       CYS  14 -15.780  -0.345   1.477
   98    HA   CYS  14           HA       CYS  14 -17.120   0.573   3.187
   99   1HB   CYS  14           HB2      CYS  14 -18.653  -1.363   2.306
  100   2HB   CYS  14           HB1      CYS  14 -18.161  -2.184   3.788
  101    HG   CYS  14           HG       CYS  14 -19.373   0.679   4.008
  102    H    ALA  15           HN       ALA  15 -15.146   0.932   4.361
  103    HA   ALA  15           HA       ALA  15 -13.760   0.765   6.258
  104   1HB   ALA  15           HB2      ALA  15 -16.230   0.660   7.066
  105   2HB   ALA  15           HB1      ALA  15 -15.895  -1.046   7.364
  106   3HB   ALA  15           HB3      ALA  15 -14.960   0.195   8.199
  107    H    ALA  16           HN       ALA  16 -13.250  -1.233   4.176
  108    HA   ALA  16           HA       ALA  16 -11.852  -3.195   5.885
  109   1HB   ALA  16           HB3      ALA  16 -14.333  -3.728   4.427
  110   2HB   ALA  16           HB2      ALA  16 -13.048  -4.866   4.024
  111   3HB   ALA  16           HB1      ALA  16 -13.555  -4.668   5.702
  112    H    CYS  17           HN       CYS  17 -12.478  -1.901   2.619
  113    HA   CYS  17           HA       CYS  17 -10.593  -3.289   1.101
  114   1HB   CYS  17           HB2      CYS  17 -11.771  -1.825  -0.184
  115   2HB   CYS  17           HB1      CYS  17 -11.926  -0.657   1.118
  116    HG   CYS  17           HG       CYS  17 -10.227  -0.056  -1.063
  117    HA   PRO  18           HA       PRO  18  -7.143  -0.188   2.474
  118   1HB   PRO  18           HB2      PRO  18  -7.847   1.251   4.783
  119   2HB   PRO  18           HB1      PRO  18  -7.820   1.868   3.129
  120   1HG   PRO  18           HG2      PRO  18 -10.122   1.228   4.820
  121   2HG   PRO  18           HG1      PRO  18 -10.063   2.161   3.320
  122   1HD   PRO  18           HD2      PRO  18 -11.077  -0.478   3.642
  123   2HD   PRO  18           HD1      PRO  18 -10.805   0.384   2.109
  124    H    ILE  19           HN       ILE  19  -8.896  -2.311   4.454
  125    HA   ILE  19           HA       ILE  19  -6.900  -2.417   6.636
  126    HB   ILE  19           HB       ILE  19  -9.438  -3.948   5.978
  127   1HG1  ILE  19          HG12      ILE  19  -8.767  -1.720   7.920
  128   2HG1  ILE  19          HG11      ILE  19  -9.927  -1.671   6.591
  129   1HG2  ILE  19          HG21      ILE  19  -7.698  -4.028   8.460
  130   2HG2  ILE  19          HG23      ILE  19  -9.257  -4.832   8.278
  131   3HG2  ILE  19          HG22      ILE  19  -7.886  -5.335   7.290
  132   1HD1  ILE  19          HD13      ILE  19 -10.161  -3.557   8.950
  133   2HD1  ILE  19          HD12      ILE  19 -10.980  -1.998   8.860
  134   3HD1  ILE  19          HD11      ILE  19 -11.366  -3.266   7.696
  135    H    THR  20           HN       THR  20  -8.205  -4.536   4.095
  136    HA   THR  20           HA       THR  20  -6.396  -6.722   4.456
  137    HB   THR  20           HB       THR  20  -8.293  -5.608   2.447
  138    HG1  THR  20           HG1      THR  20  -7.813  -8.161   3.582
  139   1HG2  THR  20          HG23      THR  20  -6.321  -6.117   1.053
  140   2HG2  THR  20          HG22      THR  20  -6.293  -7.756   1.702
  141   3HG2  THR  20          HG21      THR  20  -7.655  -7.220   0.717
  142    H    VAL  21           HN       VAL  21  -6.353  -3.719   2.620
  143    HA   VAL  21           HA       VAL  21  -3.954  -4.180   1.151
  144    HB   VAL  21           HB       VAL  21  -5.251  -1.633   2.179
  145   1HG1  VAL  21          HG13      VAL  21  -3.061  -2.212   0.247
  146   2HG1  VAL  21          HG12      VAL  21  -4.196  -0.933  -0.179
  147   3HG1  VAL  21          HG11      VAL  21  -3.273  -0.831   1.321
  148   1HG2  VAL  21          HG23      VAL  21  -6.472  -3.496   0.646
  149   2HG2  VAL  21          HG22      VAL  21  -6.771  -1.767   0.466
  150   3HG2  VAL  21          HG21      VAL  21  -5.639  -2.583  -0.612
  151    H    LYS  22           HN       LYS  22  -4.645  -2.488   4.193
  152    HA   LYS  22           HA       LYS  22  -2.180  -1.521   4.974
  153   1HB   LYS  22           HB2      LYS  22  -4.154  -1.275   6.324
  154   2HB   LYS  22           HB1      LYS  22  -4.302  -3.021   6.528
  155   1HG   LYS  22           HG2      LYS  22  -2.439  -3.135   7.969
  156   2HG   LYS  22           HG1      LYS  22  -1.834  -1.560   7.455
  157   1HD   LYS  22           HD2      LYS  22  -3.738  -0.451   8.531
  158   2HD   LYS  22           HD1      LYS  22  -4.400  -2.016   9.005
  159   1HE   LYS  22           HE2      LYS  22  -1.632  -1.099   9.842
  160   2HE   LYS  22           HE1      LYS  22  -3.079  -0.828  10.832
  161   1HZ   LYS  22           HZ2      LYS  22  -3.101  -3.476   9.870
  162   2HZ   LYS  22           HZ1      LYS  22  -1.596  -3.184  10.601
  163   3HZ   LYS  22           HZ3      LYS  22  -3.025  -2.939  11.480
  164    H    LYS  23           HN       LYS  23  -3.289  -4.877   5.639
  165    HA   LYS  23           HA       LYS  23  -0.708  -5.719   6.627
  166   1HB   LYS  23           HB2      LYS  23  -2.922  -7.439   5.502
  167   2HB   LYS  23           HB1      LYS  23  -1.771  -7.860   6.770
  168   1HG   LYS  23           HG2      LYS  23  -2.800  -5.782   8.007
  169   2HG   LYS  23           HG1      LYS  23  -4.158  -6.043   6.911
  170   1HD   LYS  23           HD2      LYS  23  -2.960  -8.209   8.657
  171   2HD   LYS  23           HD1      LYS  23  -4.380  -7.260   9.101
  172   1HE   LYS  23           HE2      LYS  23  -5.654  -8.723   7.930
  173   2HE   LYS  23           HE1      LYS  23  -4.822  -8.202   6.451
  174   1HZ   LYS  23           HZ2      LYS  23  -2.947  -9.698   7.210
  175   2HZ   LYS  23           HZ1      LYS  23  -4.050 -10.374   8.311
  176   3HZ   LYS  23           HZ3      LYS  23  -4.345 -10.481   6.645
  177    H    ALA  24           HN       ALA  24  -2.116  -5.619   3.445
  178    HA   ALA  24           HA       ALA  24  -0.475  -7.548   2.153
  179   1HB   ALA  24           HB1      ALA  24  -2.588  -5.893   1.538
  180   2HB   ALA  24           HB3      ALA  24  -1.278  -5.198   0.584
  181   3HB   ALA  24           HB2      ALA  24  -1.721  -6.891   0.371
  182    H    LEU  25           HN       LEU  25  -0.167  -3.977   2.178
  183    HA   LEU  25           HA       LEU  25   2.425  -3.969   0.916
  184   1HB   LEU  25           HB2      LEU  25   1.054  -1.921   2.683
  185   2HB   LEU  25           HB1      LEU  25   2.329  -1.598   1.506
  186    HG   LEU  25           HG       LEU  25   0.509  -2.940  -0.032
  187   1HD1  LEU  25          HD11      LEU  25  -0.880  -2.017   2.315
  188   2HD1  LEU  25          HD13      LEU  25  -1.475  -1.177   0.884
  189   3HD1  LEU  25          HD12      LEU  25  -1.501  -2.940   0.946
  190   1HD2  LEU  25          HD21      LEU  25   1.682  -0.802  -0.525
  191   2HD2  LEU  25          HD23      LEU  25  -0.030  -0.738  -0.940
  192   3HD2  LEU  25          HD22      LEU  25   0.544   0.032   0.535
  193    H    SER  26           HN       SER  26   1.346  -4.078   4.275
  194    HA   SER  26           HA       SER  26   3.888  -3.436   5.477
  195   1HB   SER  26           HB2      SER  26   1.287  -3.805   6.290
  196   2HB   SER  26           HB1      SER  26   2.052  -5.273   6.893
  197    HG   SER  26           HG       SER  26   3.639  -3.904   7.864
  198    H    LYS  27           HN       LYS  27   2.547  -6.302   4.001
  199    HA   LYS  27           HA       LYS  27   4.837  -7.872   5.073
  200   1HB   LYS  27           HB2      LYS  27   3.424  -9.826   4.671
  201   2HB   LYS  27           HB1      LYS  27   2.520  -8.632   5.600
  202   1HG   LYS  27           HG2      LYS  27   0.993  -9.261   3.925
  203   2HG   LYS  27           HG1      LYS  27   1.704  -7.784   3.279
  204   1HD   LYS  27           HD2      LYS  27   2.625  -8.873   1.540
  205   2HD   LYS  27           HD1      LYS  27   3.275 -10.134   2.588
  206   1HE   LYS  27           HE2      LYS  27   0.448 -10.492   2.523
  207   2HE   LYS  27           HE1      LYS  27   0.999 -10.297   0.847
  208   1HZ   LYS  27           HZ1      LYS  27   2.566 -11.942   2.717
  209   2HZ   LYS  27           HZ3      LYS  27   1.192 -12.609   1.981
  210   3HZ   LYS  27           HZ2      LYS  27   2.473 -12.037   1.024
  211    H    VAL  28           HN       VAL  28   4.000  -6.182   2.343
  212    HA   VAL  28           HA       VAL  28   4.352  -7.799   0.115
  213    HB   VAL  28           HB       VAL  28   4.009  -5.304   0.208
  214   1HG1  VAL  28          HG13      VAL  28   5.866  -4.854   1.825
  215   2HG1  VAL  28          HG12      VAL  28   7.022  -5.257   0.554
  216   3HG1  VAL  28          HG11      VAL  28   5.964  -3.861   0.371
  217   1HG2  VAL  28          HG21      VAL  28   6.226  -6.399  -1.549
  218   2HG2  VAL  28          HG23      VAL  28   4.504  -6.343  -1.928
  219   3HG2  VAL  28          HG22      VAL  28   5.433  -4.848  -1.822
  220    H    GLU  29           HN       GLU  29   7.013  -6.457   2.130
  221    HA   GLU  29           HA       GLU  29   8.675  -8.747   1.933
  222   1HB   GLU  29           HB2      GLU  29   8.508  -7.041  -0.432
  223   2HB   GLU  29           HB1      GLU  29  10.167  -7.215   0.141
  224   1HG   GLU  29           HG2      GLU  29   9.168  -9.786   0.357
  225   2HG   GLU  29           HG1      GLU  29   8.419  -9.195  -1.126
  226    H    GLY  30           HN       GLY  30   9.821  -5.499   1.086
  227   1HA   GLY  30           HA2      GLY  30  11.431  -5.488   3.565
  228   2HA   GLY  30           HA1      GLY  30  11.631  -4.390   2.202
  229    H    VAL  31           HN       VAL  31   8.484  -4.134   2.427
  230    HA   VAL  31           HA       VAL  31   8.280  -1.598   3.522
  231    HB   VAL  31           HB       VAL  31   6.416  -3.963   3.463
  232   1HG1  VAL  31          HG12      VAL  31   5.939  -1.227   4.667
  233   2HG1  VAL  31          HG11      VAL  31   4.618  -2.229   4.072
  234   3HG1  VAL  31          HG13      VAL  31   5.630  -2.802   5.397
  235   1HG2  VAL  31          HG22      VAL  31   7.050  -2.680   1.386
  236   2HG2  VAL  31          HG21      VAL  31   5.323  -2.646   1.737
  237   3HG2  VAL  31          HG23      VAL  31   6.326  -1.246   2.114
  238    H    SER  32           HN       SER  32   8.193  -0.692   5.470
  239    HA   SER  32           HA       SER  32   8.584  -2.474   7.850
  240   1HB   SER  32           HB2      SER  32  10.520  -1.037   7.045
  241   2HB   SER  32           HB1      SER  32   9.538   0.375   7.427
  242    HG   SER  32           HG       SER  32   9.830  -1.616   9.369
  243    H    LYS  33           HN       LYS  33   6.587  -0.206   6.316
  244    HA   LYS  33           HA       LYS  33   4.879  -0.046   8.732
  245   1HB   LYS  33           HB2      LYS  33   5.933   1.898   9.301
  246   2HB   LYS  33           HB1      LYS  33   6.612   2.109   7.692
  247   1HG   LYS  33           HG2      LYS  33   4.436   2.943   6.876
  248   2HG   LYS  33           HG1      LYS  33   3.742   2.709   8.480
  249   1HD   LYS  33           HD2      LYS  33   6.168   4.236   8.717
  250   2HD   LYS  33           HD1      LYS  33   5.124   4.990   7.512
  251   1HE   LYS  33           HE2      LYS  33   3.245   4.985   9.119
  252   2HE   LYS  33           HE1      LYS  33   4.292   4.228  10.337
  253   1HZ   LYS  33           HZ1      LYS  33   5.883   6.132   9.819
  254   2HZ   LYS  33           HZ3      LYS  33   4.556   6.899   9.092
  255   3HZ   LYS  33           HZ2      LYS  33   4.508   6.505  10.744
  256    H    VAL  34           HN       VAL  34   2.755   0.971   8.190
  257    HA   VAL  34           HA       VAL  34   2.084   1.230   5.320
  258    HB   VAL  34           HB       VAL  34   2.033  -1.228   6.062
  259   1HG1  VAL  34          HG11      VAL  34   1.060  -0.692   8.322
  260   2HG1  VAL  34          HG13      VAL  34  -0.455  -0.285   7.516
  261   3HG1  VAL  34          HG12      VAL  34   0.168  -1.933   7.441
  262   1HG2  VAL  34          HG21      VAL  34   0.626   0.012   4.194
  263   2HG2  VAL  34          HG23      VAL  34   0.251  -1.657   4.624
  264   3HG2  VAL  34          HG22      VAL  34  -0.723  -0.338   5.274
  265    H    ASP  35           HN       ASP  35  -0.444   1.726   5.225
  266    HA   ASP  35           HA       ASP  35  -1.547   2.845   7.714
  267   1HB   ASP  35           HB2      ASP  35   0.268   4.370   6.332
  268   2HB   ASP  35           HB1      ASP  35  -1.260   4.924   5.645
  269    H    VAL  36           HN       VAL  36  -3.714   3.732   7.396
  270    HA   VAL  36           HA       VAL  36  -5.036   2.655   4.934
  271    HB   VAL  36           HB       VAL  36  -5.871   3.097   7.806
  272   1HG1  VAL  36          HG13      VAL  36  -7.518   3.175   5.379
  273   2HG1  VAL  36          HG12      VAL  36  -8.047   1.954   6.536
  274   3HG1  VAL  36          HG11      VAL  36  -7.928   3.643   7.029
  275   1HG2  VAL  36          HG21      VAL  36  -5.088   0.856   6.125
  276   2HG2  VAL  36          HG23      VAL  36  -5.303   0.912   7.874
  277   3HG2  VAL  36          HG22      VAL  36  -6.686   0.596   6.825
  278    H    GLY  37           HN       GLY  37  -6.154   4.099   3.635
  279   1HA   GLY  37           HA2      GLY  37  -6.723   6.816   4.718
  280   2HA   GLY  37           HA1      GLY  37  -5.834   6.669   3.201
  281    H    PHE  38           HN       PHE  38  -8.798   5.270   4.653
  282    HA   PHE  38           HA       PHE  38 -10.118   4.695   2.207
  283   1HB   PHE  38           HB2      PHE  38 -10.569   4.451   4.926
  284   2HB   PHE  38           HB1      PHE  38 -11.825   5.583   4.426
  285    HD1  PHE  38           HD1      PHE  38 -12.183   4.635   1.581
  286    HD2  PHE  38           HD2      PHE  38 -11.861   2.474   5.278
  287    HE1  PHE  38           HE1      PHE  38 -13.485   2.767   0.600
  288    HE2  PHE  38           HE2      PHE  38 -13.163   0.609   4.298
  289    HZ   PHE  38           HZ       PHE  38 -13.987   0.754   1.966
  290    H    GLU  39           HN       GLU  39  -9.643   7.731   3.879
  291    HA   GLU  39           HA       GLU  39 -11.725   9.369   3.093
  292   1HB   GLU  39           HB2      GLU  39  -9.444   9.831   4.267
  293   2HB   GLU  39           HB1      GLU  39  -8.848  10.167   2.641
  294   1HG   GLU  39           HG2      GLU  39 -11.414  11.455   3.460
  295   2HG   GLU  39           HG1      GLU  39  -9.924  12.088   4.160
  296    H    LYS  40           HN       LYS  40  -9.041   8.238   1.035
  297    HA   LYS  40           HA       LYS  40 -10.696   8.925  -1.350
  298   1HB   LYS  40           HB2      LYS  40  -8.672   9.901  -2.393
  299   2HB   LYS  40           HB1      LYS  40  -9.095  10.753  -0.908
  300   1HG   LYS  40           HG2      LYS  40  -7.415   9.504   0.339
  301   2HG   LYS  40           HG1      LYS  40  -7.045   8.527  -1.082
  302   1HD   LYS  40           HD2      LYS  40  -5.364  10.123  -1.223
  303   2HD   LYS  40           HD1      LYS  40  -6.618  10.893  -2.197
  304   1HE   LYS  40           HE2      LYS  40  -7.395  12.019  -0.008
  305   2HE   LYS  40           HE1      LYS  40  -5.829  11.509   0.659
  306   1HZ   LYS  40           HZ1      LYS  40  -5.998  12.841  -1.972
  307   2HZ   LYS  40           HZ3      LYS  40  -5.948  13.759  -0.547
  308   3HZ   LYS  40           HZ2      LYS  40  -4.664  12.713  -0.927
  309    H    ARG  41           HN       ARG  41 -10.512   6.353  -0.361
  310    HA   ARG  41           HA       ARG  41  -9.705   4.164  -0.841
  311   1HB   ARG  41           HB2      ARG  41  -9.639   5.450  -3.586
  312   2HB   ARG  41           HB1      ARG  41  -9.927   3.748  -3.221
  313   1HG   ARG  41           HG2      ARG  41 -11.729   5.619  -1.836
  314   2HG   ARG  41           HG1      ARG  41 -11.898   5.595  -3.590
  315   1HD   ARG  41           HD2      ARG  41 -11.624   2.897  -2.593
  316   2HD   ARG  41           HD1      ARG  41 -12.962   3.717  -1.769
  317    HE   ARG  41           HE       ARG  41 -12.978   2.841  -4.492
  318   1HH1  ARG  41          HH21      ARG  41 -13.745   5.640  -2.602
  319   2HH1  ARG  41          HH22      ARG  41 -14.720   6.352  -3.841
  320   1HH2  ARG  41          HH11      ARG  41 -14.265   3.755  -6.084
  321   2HH2  ARG  41          HH12      ARG  41 -15.027   5.284  -5.798
  322    H    GLU  42           HN       GLU  42  -7.536   5.224   0.221
  323    HA   GLU  42           HA       GLU  42  -5.379   4.472  -1.687
  324   1HB   GLU  42           HB2      GLU  42  -4.229   6.548  -1.358
  325   2HB   GLU  42           HB1      GLU  42  -5.910   6.975  -1.682
  326   1HG   GLU  42           HG2      GLU  42  -5.651   8.232   0.216
  327   2HG   GLU  42           HG1      GLU  42  -6.021   6.700   1.008
  328    H    ALA  43           HN       ALA  43  -3.615   3.490  -0.680
  329    HA   ALA  43           HA       ALA  43  -3.713   3.314   2.319
  330   1HB   ALA  43           HB2      ALA  43  -3.801   1.319   0.325
  331   2HB   ALA  43           HB1      ALA  43  -2.151   1.264   0.943
  332   3HB   ALA  43           HB3      ALA  43  -3.512   1.058   2.045
  333    H    VAL  44           HN       VAL  44  -1.791   4.001   3.357
  334    HA   VAL  44           HA       VAL  44   0.370   4.934   1.508
  335    HB   VAL  44           HB       VAL  44  -0.866   5.816   4.058
  336   1HG1  VAL  44          HG13      VAL  44   2.090   6.165   3.480
  337   2HG1  VAL  44          HG12      VAL  44   1.196   7.169   4.621
  338   3HG1  VAL  44          HG11      VAL  44   1.365   5.438   4.914
  339   1HG2  VAL  44          HG23      VAL  44  -0.495   6.787   1.452
  340   2HG2  VAL  44          HG22      VAL  44  -1.206   7.655   2.811
  341   3HG2  VAL  44          HG21      VAL  44   0.518   7.803   2.475
  342    H    VAL  45           HN       VAL  45   2.512   4.223   1.835
  343    HA   VAL  45           HA       VAL  45   2.945   2.312   4.090
  344    HB   VAL  45           HB       VAL  45   4.174   1.332   1.677
  345   1HG1  VAL  45          HG11      VAL  45   3.034   0.346   3.979
  346   2HG1  VAL  45          HG13      VAL  45   1.854  -0.113   2.752
  347   3HG1  VAL  45          HG12      VAL  45   3.533  -0.632   2.599
  348   1HG2  VAL  45          HG21      VAL  45   2.243   2.618   0.617
  349   2HG2  VAL  45          HG23      VAL  45   2.271   0.887   0.280
  350   3HG2  VAL  45          HG22      VAL  45   1.155   1.534   1.484
  351    H    THR  46           HN       THR  46   5.110   1.966   4.621
  352    HA   THR  46           HA       THR  46   7.110   3.848   3.429
  353    HB   THR  46           HB       THR  46   6.298   3.151   6.237
  354    HG1  THR  46           HG1      THR  46   6.853   5.459   6.388
  355   1HG2  THR  46          HG21      THR  46   9.083   3.989   5.387
  356   2HG2  THR  46          HG23      THR  46   8.486   4.090   7.045
  357   3HG2  THR  46          HG22      THR  46   8.634   2.520   6.255
  358    H    PHE  47           HN       PHE  47   9.280   2.876   3.271
  359    HA   PHE  47           HA       PHE  47   9.655   0.145   4.259
  360   1HB   PHE  47           HB2      PHE  47   9.652  -0.900   2.034
  361   2HB   PHE  47           HB1      PHE  47   8.092  -0.157   2.380
  362    HD1  PHE  47           HD2      PHE  47  11.336   0.401   0.576
  363    HD2  PHE  47           HD1      PHE  47   7.213   1.547   1.015
  364    HE1  PHE  47           HE2      PHE  47  11.499   1.744  -1.483
  365    HE2  PHE  47           HE1      PHE  47   7.375   2.894  -1.061
  366    HZ   PHE  47           HZ       PHE  47   9.512   2.992  -2.313
  367    H    ASP  48           HN       ASP  48  11.525  -0.867   2.816
  368    HA   ASP  48           HA       ASP  48  13.758   1.120   2.812
  369   1HB   ASP  48           HB2      ASP  48  13.730  -1.913   2.937
  370   2HB   ASP  48           HB1      ASP  48  15.147  -0.883   3.151
  371    H    ASP  49           HN       ASP  49  14.271   1.794   0.776
  372    HA   ASP  49           HA       ASP  49  13.188   0.573  -1.573
  373   1HB   ASP  49           HB2      ASP  49  13.711   2.859  -1.662
  374   2HB   ASP  49           HB1      ASP  49  15.299   2.622  -0.933
  375    H    THR  50           HN       THR  50  15.630  -0.608   0.365
  376    HA   THR  50           HA       THR  50  17.377  -1.624  -1.773
  377    HB   THR  50           HB       THR  50  18.149  -0.888   0.493
  378    HG1  THR  50           HG1      THR  50  19.640  -2.216  -0.145
  379   1HG2  THR  50          HG22      THR  50  15.972  -2.188   1.441
  380   2HG2  THR  50          HG21      THR  50  17.202  -3.423   1.709
  381   3HG2  THR  50          HG23      THR  50  17.385  -1.825   2.432
  382    H    LYS  51           HN       LYS  51  14.548  -2.698  -0.023
  383    HA   LYS  51           HA       LYS  51  14.870  -5.396  -1.275
  384   1HB   LYS  51           HB2      LYS  51  14.658  -4.571   1.472
  385   2HB   LYS  51           HB1      LYS  51  13.274  -5.584   1.054
  386   1HG   LYS  51           HG2      LYS  51  14.551  -7.436   0.870
  387   2HG   LYS  51           HG1      LYS  51  15.792  -6.584  -0.049
  388   1HD   LYS  51           HD2      LYS  51  16.492  -5.516   2.171
  389   2HD   LYS  51           HD1      LYS  51  15.471  -6.723   2.954
  390   1HE   LYS  51           HE2      LYS  51  16.863  -8.349   1.301
  391   2HE   LYS  51           HE1      LYS  51  18.075  -7.078   1.556
  392   1HZ   LYS  51           HZ2      LYS  51  17.278  -7.252   4.002
  393   2HZ   LYS  51           HZ1      LYS  51  16.749  -8.800   3.541
  394   3HZ   LYS  51           HZ3      LYS  51  18.389  -8.391   3.407
  395    H    ALA  52           HN       ALA  52  12.845  -2.661  -0.832
  396    HA   ALA  52           HA       ALA  52  10.685  -4.036  -2.350
  397   1HB   ALA  52           HB3      ALA  52  10.643  -2.991   0.418
  398   2HB   ALA  52           HB2      ALA  52   9.274  -2.497  -0.578
  399   3HB   ALA  52           HB1      ALA  52   9.615  -4.210  -0.337
  400    H    SER  53           HN       SER  53   8.879  -2.029  -2.562
  401    HA   SER  53           HA       SER  53   9.816   0.633  -2.866
  402   1HB   SER  53           HB2      SER  53  10.883  -1.256  -4.729
  403   2HB   SER  53           HB1      SER  53   9.810  -0.172  -5.610
  404    HG   SER  53           HG       SER  53  11.776   0.713  -3.768
  405    H    VAL  54           HN       VAL  54   8.314   1.903  -4.367
  406    HA   VAL  54           HA       VAL  54   5.626   1.527  -3.889
  407    HB   VAL  54           HB       VAL  54   6.430   3.522  -4.955
  408   1HG1  VAL  54          HG11      VAL  54   8.148   1.904  -6.314
  409   2HG1  VAL  54          HG13      VAL  54   6.974   2.255  -7.581
  410   3HG1  VAL  54          HG12      VAL  54   7.821   3.574  -6.773
  411   1HG2  VAL  54          HG22      VAL  54   4.141   2.417  -5.674
  412   2HG2  VAL  54          HG21      VAL  54   4.735   3.845  -6.523
  413   3HG2  VAL  54          HG23      VAL  54   4.949   2.245  -7.231
  414    H    GLN  55           HN       GLN  55   7.362   0.267  -6.768
  415    HA   GLN  55           HA       GLN  55   5.312  -1.021  -8.121
  416   1HB   GLN  55           HB2      GLN  55   7.634  -0.979  -8.859
  417   2HB   GLN  55           HB1      GLN  55   8.126  -1.964  -7.481
  418   1HG   GLN  55           HG2      GLN  55   6.242  -3.591  -8.496
  419   2HG   GLN  55           HG1      GLN  55   6.724  -2.771  -9.982
  420   1HE2  GLN  55          HE22      GLN  55   8.984  -5.734  -9.396
  421   2HE2  GLN  55          HE21      GLN  55   7.299  -5.560  -9.518
  422    H    LYS  56           HN       LYS  56   7.142  -2.331  -5.343
  423    HA   LYS  56           HA       LYS  56   5.553  -4.754  -5.182
  424   1HB   LYS  56           HB2      LYS  56   7.499  -3.368  -3.313
  425   2HB   LYS  56           HB1      LYS  56   6.866  -4.994  -3.047
  426   1HG   LYS  56           HG2      LYS  56   8.289  -4.185  -5.593
  427   2HG   LYS  56           HG1      LYS  56   9.128  -4.888  -4.209
  428   1HD   LYS  56           HD2      LYS  56   6.870  -6.524  -4.662
  429   2HD   LYS  56           HD1      LYS  56   7.578  -6.220  -6.249
  430   1HE   LYS  56           HE2      LYS  56   9.102  -7.230  -3.818
  431   2HE   LYS  56           HE1      LYS  56   8.622  -8.209  -5.218
  432   1HZ   LYS  56           HZ3      LYS  56   9.748  -6.100  -6.411
  433   2HZ   LYS  56           HZ2      LYS  56  10.695  -6.190  -5.003
  434   3HZ   LYS  56           HZ1      LYS  56  10.587  -7.527  -6.046
  435    H    LEU  57           HN       LEU  57   5.274  -1.534  -3.712
  436    HA   LEU  57           HA       LEU  57   3.514  -2.331  -1.562
  437   1HB   LEU  57           HB2      LEU  57   3.705   0.300  -3.065
  438   2HB   LEU  57           HB1      LEU  57   3.076   0.071  -1.436
  439    HG   LEU  57           HG       LEU  57   5.935  -0.476  -2.296
  440   1HD1  LEU  57          HD12      LEU  57   4.505   1.915  -1.410
  441   2HD1  LEU  57          HD11      LEU  57   5.877   1.530  -0.370
  442   3HD1  LEU  57          HD13      LEU  57   6.121   1.769  -2.101
  443   1HD2  LEU  57          HD23      LEU  57   4.754  -1.761  -0.296
  444   2HD2  LEU  57          HD22      LEU  57   6.380  -1.109  -0.093
  445   3HD2  LEU  57          HD21      LEU  57   4.991  -0.230   0.547
  446    H    THR  58           HN       THR  58   2.825  -0.700  -4.679
  447    HA   THR  58           HA       THR  58   0.008  -0.917  -4.614
  448    HB   THR  58           HB       THR  58   2.092  -0.837  -6.806
  449    HG1  THR  58           HG1      THR  58   0.132   1.028  -5.967
  450   1HG2  THR  58          HG22      THR  58  -0.902  -1.055  -7.017
  451   2HG2  THR  58          HG21      THR  58   0.021  -0.184  -8.241
  452   3HG2  THR  58          HG23      THR  58   0.337  -1.895  -7.951
  453    H    LYS  59           HN       LYS  59   2.491  -3.292  -5.444
  454    HA   LYS  59           HA       LYS  59   0.645  -5.176  -6.630
  455   1HB   LYS  59           HB2      LYS  59   3.318  -4.782  -6.702
  456   2HB   LYS  59           HB1      LYS  59   3.242  -6.045  -5.473
  457   1HG   LYS  59           HG2      LYS  59   1.896  -7.445  -7.018
  458   2HG   LYS  59           HG1      LYS  59   2.041  -6.194  -8.254
  459   1HD   LYS  59           HD2      LYS  59   4.607  -6.429  -7.853
  460   2HD   LYS  59           HD1      LYS  59   4.185  -7.975  -7.114
  461   1HE   LYS  59           HE2      LYS  59   2.812  -7.568  -9.670
  462   2HE   LYS  59           HE1      LYS  59   4.579  -7.561  -9.835
  463   1HZ   LYS  59           HZ1      LYS  59   3.012  -9.588  -8.328
  464   2HZ   LYS  59           HZ3      LYS  59   3.668  -9.825  -9.874
  465   3HZ   LYS  59           HZ2      LYS  59   4.697  -9.582  -8.544
  466    H    ALA  60           HN       ALA  60   1.891  -4.524  -3.416
  467    HA   ALA  60           HA       ALA  60   1.091  -7.001  -2.214
  468   1HB   ALA  60           HB1      ALA  60   2.515  -4.701  -1.544
  469   2HB   ALA  60           HB3      ALA  60   1.098  -4.635  -0.498
  470   3HB   ALA  60           HB2      ALA  60   2.160  -6.041  -0.453
  471    H    THR  61           HN       THR  61  -0.399  -3.758  -2.375
  472    HA   THR  61           HA       THR  61  -2.832  -4.535  -1.017
  473    HB   THR  61           HB       THR  61  -1.947  -2.207  -1.224
  474    HG1  THR  61           HG1      THR  61  -4.319  -2.146  -2.676
  475   1HG2  THR  61          HG21      THR  61  -2.642  -2.614  -4.143
  476   2HG2  THR  61          HG23      THR  61  -2.198  -1.068  -3.420
  477   3HG2  THR  61          HG22      THR  61  -1.026  -2.384  -3.477
  478    H    ALA  62           HN       ALA  62  -1.645  -4.448  -4.265
  479    HA   ALA  62           HA       ALA  62  -4.127  -4.977  -5.634
  480   1HB   ALA  62           HB2      ALA  62  -1.182  -5.249  -6.244
  481   2HB   ALA  62           HB1      ALA  62  -2.393  -5.784  -7.409
  482   3HB   ALA  62           HB3      ALA  62  -2.336  -4.094  -6.911
  483    H    ASP  63           HN       ASP  63  -1.776  -6.908  -3.934
  484    HA   ASP  63           HA       ASP  63  -2.859  -9.462  -4.960
  485   1HB   ASP  63           HB2      ASP  63  -0.395  -8.800  -4.388
  486   2HB   ASP  63           HB1      ASP  63  -0.880  -9.067  -2.714
  487    H    ALA  64           HN       ALA  64  -3.461  -7.212  -2.450
  488    HA   ALA  64           HA       ALA  64  -4.486  -9.128  -0.483
  489   1HB   ALA  64           HB1      ALA  64  -3.519  -6.621  -0.349
  490   2HB   ALA  64           HB3      ALA  64  -5.229  -6.229  -0.524
  491   3HB   ALA  64           HB2      ALA  64  -4.686  -7.223   0.829
  492    H    GLY  65           HN       GLY  65  -5.662  -7.232  -3.176
  493   1HA   GLY  65           HA2      GLY  65  -7.774  -8.492  -4.100
  494   2HA   GLY  65           HA1      GLY  65  -8.456  -8.031  -2.546
  495    H    TYR  66           HN       TYR  66  -6.263  -5.822  -4.210
  496    HA   TYR  66           HA       TYR  66  -8.553  -4.284  -5.305
  497   1HB   TYR  66           HB2      TYR  66  -6.597  -3.102  -3.321
  498   2HB   TYR  66           HB1      TYR  66  -8.057  -2.352  -3.957
  499    HD1  TYR  66           HD1      TYR  66 -10.276  -3.641  -3.520
  500    HD2  TYR  66           HD2      TYR  66  -6.645  -4.181  -1.312
  501    HE1  TYR  66           HE1      TYR  66 -11.572  -4.531  -1.614
  502    HE2  TYR  66           HE2      TYR  66  -7.925  -5.059   0.587
  503    HH   TYR  66           HH       TYR  66  -9.967  -5.426   1.439
  504    HA   PRO  67           HA       PRO  67  -5.010  -3.938  -8.179
  505   1HB   PRO  67           HB2      PRO  67  -6.915  -2.465  -9.821
  506   2HB   PRO  67           HB1      PRO  67  -6.164  -4.029 -10.152
  507   1HG   PRO  67           HG2      PRO  67  -8.873  -3.549  -9.427
  508   2HG   PRO  67           HG1      PRO  67  -8.079  -5.116  -9.613
  509   1HD   PRO  67           HD2      PRO  67  -8.965  -3.853  -7.164
  510   2HD   PRO  67           HD1      PRO  67  -8.185  -5.443  -7.355
  511    H    SER  68           HN       SER  68  -3.830  -2.366  -6.985
  512    HA   SER  68           HA       SER  68  -5.035   0.352  -6.782
  513   1HB   SER  68           HB2      SER  68  -4.201   0.258  -4.685
  514   2HB   SER  68           HB1      SER  68  -3.766  -1.413  -5.016
  515    HG   SER  68           HG       SER  68  -2.132   0.512  -4.485
  516    H    SER  69           HN       SER  69  -2.927   1.923  -6.371
  517    HA   SER  69           HA       SER  69  -0.887   1.634  -8.492
  518   1HB   SER  69           HB2      SER  69  -1.941   3.054  -9.921
  519   2HB   SER  69           HB1      SER  69  -3.356   2.968  -8.877
  520    HG   SER  69           HG       SER  69  -2.158   5.101  -9.350
  521    H    VAL  70           HN       VAL  70   0.105   4.253  -8.314
  522    HA   VAL  70           HA       VAL  70   0.391   4.692  -5.386
  523    HB   VAL  70           HB       VAL  70   2.089   3.190  -6.562
  524   1HG1  VAL  70          HG12      VAL  70   2.198   5.347  -8.316
  525   2HG1  VAL  70          HG11      VAL  70   3.679   5.508  -7.373
  526   3HG1  VAL  70          HG13      VAL  70   3.351   4.014  -8.250
  527   1HG2  VAL  70          HG21      VAL  70   2.369   5.226  -4.554
  528   2HG2  VAL  70          HG23      VAL  70   3.233   3.695  -4.677
  529   3HG2  VAL  70          HG22      VAL  70   3.875   5.134  -5.466
  530    H    LYS  71           HN       LYS  71   1.201   6.812  -4.801
  531    HA   LYS  71           HA       LYS  71   0.847   8.822  -7.009
  532   1HB   LYS  71           HB2      LYS  71   0.306   9.800  -4.305
  533   2HB   LYS  71           HB1      LYS  71  -0.706   9.902  -5.743
  534   1HG   LYS  71           HG2      LYS  71  -1.490   7.607  -5.384
  535   2HG   LYS  71           HG1      LYS  71  -0.431   7.448  -3.982
  536   1HD   LYS  71           HD2      LYS  71  -2.075   8.297  -2.710
  537   2HD   LYS  71           HD1      LYS  71  -1.904   9.820  -3.580
  538   1HE   LYS  71           HE2      LYS  71  -3.376   7.989  -5.238
  539   2HE   LYS  71           HE1      LYS  71  -4.133   8.053  -3.633
  540   1HZ   LYS  71           HZ1      LYS  71  -3.210  10.497  -5.022
  541   2HZ   LYS  71           HZ3      LYS  71  -4.768   9.876  -5.271
  542   3HZ   LYS  71           HZ2      LYS  71  -4.291  10.370  -3.717
  543    H    GLN  72           HN       GLN  72   3.208   7.501  -5.906
  544    HA   GLN  72           HA       GLN  72   5.367   8.049  -5.024
  545   1HB   GLN  72           HB2      GLN  72   4.747  10.579  -6.570
  546   2HB   GLN  72           HB1      GLN  72   6.309   9.778  -6.396
  547   1HG   GLN  72           HG2      GLN  72   5.229   7.754  -7.539
  548   2HG   GLN  72           HG1      GLN  72   3.904   8.838  -7.966
  549   1HE2  GLN  72          HE22      GLN  72   6.352   8.945 -10.772
  550   2HE2  GLN  72          HE21      GLN  72   5.367   7.755 -10.070
   
  No H/Q in entry =         550
  Start of MODEL   19
    1   1H    ALA   1           HT2      ALA   1  16.461   1.015   0.368
    2   2H    ALA   1           HT1      ALA   1  17.746   1.611  -0.570
    3   3H    ALA   1           HT3      ALA   1  17.931   1.438   1.107
    4    HA   ALA   1           HA       ALA   1  17.533   3.692   0.968
    5   1HB   ALA   1           HB3      ALA   1  17.206   3.346  -1.534
    6   2HB   ALA   1           HB2      ALA   1  15.499   3.068  -1.188
    7   3HB   ALA   1           HB1      ALA   1  16.231   4.631  -0.823
    8    H    THR   2           HN       THR   2  15.097   4.926   0.983
    9    HA   THR   2           HA       THR   2  13.172   3.302   2.487
   10    HB   THR   2           HB       THR   2  14.417   4.068   4.287
   11    HG1  THR   2           HG1      THR   2  12.143   5.007   4.030
   12   1HG2  THR   2          HG23      THR   2  14.981   6.419   2.523
   13   2HG2  THR   2          HG22      THR   2  15.148   6.606   4.268
   14   3HG2  THR   2          HG21      THR   2  16.113   5.402   3.414
   15    H    GLN   3           HN       GLN   3  11.860   3.678   0.670
   16    HA   GLN   3           HA       GLN   3  11.182   6.537   0.085
   17   1HB   GLN   3           HB2      GLN   3  11.486   4.041  -1.426
   18   2HB   GLN   3           HB1      GLN   3  10.048   4.959  -1.875
   19   1HG   GLN   3           HG2      GLN   3  11.295   6.845  -2.512
   20   2HG   GLN   3           HG1      GLN   3  12.707   6.340  -1.582
   21   1HE2  GLN   3          HE22      GLN   3  14.065   4.417  -4.208
   22   2HE2  GLN   3          HE21      GLN   3  14.242   4.990  -2.620
   23    H    THR   4           HN       THR   4   9.003   7.170  -0.134
   24    HA   THR   4           HA       THR   4   6.981   5.338   1.110
   25    HB   THR   4           HB       THR   4   7.658   7.163   2.611
   26    HG1  THR   4           HG1      THR   4   5.150   7.205   1.384
   27   1HG2  THR   4          HG21      THR   4   7.650   8.639   0.108
   28   2HG2  THR   4          HG23      THR   4   6.722   9.478   1.351
   29   3HG2  THR   4          HG22      THR   4   8.408   9.054   1.645
   30    H    VAL   5           HN       VAL   5   4.975   5.280   0.039
   31    HA   VAL   5           HA       VAL   5   4.480   7.157  -2.244
   32    HB   VAL   5           HB       VAL   5   4.193   4.216  -2.695
   33   1HG1  VAL   5          HG13      VAL   5   3.753   6.441  -4.208
   34   2HG1  VAL   5          HG12      VAL   5   5.389   6.010  -4.706
   35   3HG1  VAL   5          HG11      VAL   5   4.079   4.840  -4.874
   36   1HG2  VAL   5          HG22      VAL   5   6.832   5.709  -2.884
   37   2HG2  VAL   5          HG21      VAL   5   6.470   4.398  -1.762
   38   3HG2  VAL   5          HG23      VAL   5   6.542   4.081  -3.496
   39    H    THR   6           HN       THR   6   2.236   6.951  -2.978
   40    HA   THR   6           HA       THR   6   0.504   5.789  -0.839
   41    HB   THR   6           HB       THR   6   0.126   8.161  -1.148
   42    HG1  THR   6           HG1      THR   6  -2.013   7.949  -2.372
   43   1HG2  THR   6          HG22      THR   6   0.374   7.395  -4.016
   44   2HG2  THR   6          HG21      THR   6  -0.681   8.751  -3.615
   45   3HG2  THR   6          HG23      THR   6   1.026   8.801  -3.173
   46    H    LEU   7           HN       LEU   7  -1.386   4.663  -1.688
   47    HA   LEU   7           HA       LEU   7  -0.924   3.558  -4.417
   48   1HB   LEU   7           HB2      LEU   7  -0.986   2.381  -1.729
   49   2HB   LEU   7           HB1      LEU   7  -2.022   1.534  -2.877
   50    HG   LEU   7           HG       LEU   7  -0.242   1.002  -4.283
   51   1HD1  LEU   7          HD13      LEU   7   1.269   3.229  -2.948
   52   2HD1  LEU   7          HD12      LEU   7   2.049   2.045  -3.993
   53   3HD1  LEU   7          HD11      LEU   7   0.804   3.098  -4.638
   54   1HD2  LEU   7          HD22      LEU   7  -0.010  -0.211  -2.132
   55   2HD2  LEU   7          HD21      LEU   7   1.565   0.081  -2.870
   56   3HD2  LEU   7          HD23      LEU   7   1.019   1.089  -1.531
   57    H    ALA   8           HN       ALA   8  -2.860   2.635  -5.384
   58    HA   ALA   8           HA       ALA   8  -5.318   4.103  -4.496
   59   1HB   ALA   8           HB2      ALA   8  -4.002   3.452  -7.050
   60   2HB   ALA   8           HB1      ALA   8  -5.750   3.220  -7.067
   61   3HB   ALA   8           HB3      ALA   8  -5.074   4.794  -6.650
   62    H    VAL   9           HN       VAL   9  -6.357   2.618  -3.133
   63    HA   VAL   9           HA       VAL   9  -6.925  -0.113  -4.261
   64    HB   VAL   9           HB       VAL   9  -5.626  -0.165  -2.197
   65   1HG1  VAL   9          HG13      VAL   9  -7.274   2.143  -1.586
   66   2HG1  VAL   9          HG12      VAL   9  -7.306   0.985  -0.257
   67   3HG1  VAL   9          HG11      VAL   9  -5.767   1.627  -0.832
   68   1HG2  VAL   9          HG21      VAL   9  -8.458  -1.004  -2.193
   69   2HG2  VAL   9          HG23      VAL   9  -7.008  -1.926  -1.792
   70   3HG2  VAL   9          HG22      VAL   9  -7.735  -0.866  -0.589
   71    HA   PRO  10           HA       PRO  10 -10.909   2.198  -4.257
   72   1HB   PRO  10           HB2      PRO  10 -11.751   0.853  -6.565
   73   2HB   PRO  10           HB1      PRO  10 -10.970   2.437  -6.510
   74   1HG   PRO  10           HG2      PRO  10  -9.894  -0.092  -7.471
   75   2HG   PRO  10           HG1      PRO  10  -9.215   1.531  -7.626
   76   1HD   PRO  10           HD2      PRO  10  -8.370  -0.582  -5.843
   77   2HD   PRO  10           HD1      PRO  10  -7.680   1.052  -6.012
   78    H    GLY  11           HN       GLY  11 -10.562  -0.146  -2.530
   79   1HA   GLY  11           HA2      GLY  11 -12.797  -1.916  -3.355
   80   2HA   GLY  11           HA1      GLY  11 -11.699  -2.216  -2.009
   81    H    MET  12           HN       MET  12 -11.897   0.489  -0.938
   82    HA   MET  12           HA       MET  12 -13.193   1.630   0.659
   83   1HB   MET  12           HB2      MET  12 -15.282   0.766  -1.374
   84   2HB   MET  12           HB1      MET  12 -15.544   1.992  -0.133
   85   1HG   MET  12           HG2      MET  12 -13.101   2.570  -1.539
   86   2HG   MET  12           HG1      MET  12 -14.406   2.351  -2.705
   87   1HE   MET  12           HE3      MET  12 -13.736   4.405  -3.380
   88   2HE   MET  12           HE2      MET  12 -14.811   5.767  -3.076
   89   3HE   MET  12           HE1      MET  12 -13.244   5.695  -2.274
   90    H    THR  13           HN       THR  13 -15.844  -0.496  -0.180
   91    HA   THR  13           HA       THR  13 -16.955  -2.129   1.096
   92    HB   THR  13           HB       THR  13 -14.181  -2.623   0.934
   93    HG1  THR  13           HG1      THR  13 -15.962  -3.968   0.326
   94   1HG2  THR  13          HG22      THR  13 -14.132  -2.056   3.389
   95   2HG2  THR  13          HG21      THR  13 -15.182  -3.447   3.659
   96   3HG2  THR  13          HG23      THR  13 -13.568  -3.677   2.985
   97    H    CYS  14           HN       CYS  14 -15.936   0.694   2.262
   98    HA   CYS  14           HA       CYS  14 -16.525   1.914   4.178
   99   1HB   CYS  14           HB2      CYS  14 -18.287  -0.287   3.947
  100   2HB   CYS  14           HB1      CYS  14 -17.849  -0.175   5.652
  101    HG   CYS  14           HG       CYS  14 -18.460   2.576   4.992
  102    H    ALA  15           HN       ALA  15 -14.753   2.325   5.381
  103    HA   ALA  15           HA       ALA  15 -12.864   1.924   6.784
  104   1HB   ALA  15           HB2      ALA  15 -15.283   2.149   7.965
  105   2HB   ALA  15           HB1      ALA  15 -14.777   0.588   8.613
  106   3HB   ALA  15           HB3      ALA  15 -13.778   2.018   8.875
  107    H    ALA  16           HN       ALA  16 -12.780  -0.192   4.962
  108    HA   ALA  16           HA       ALA  16 -11.695  -2.322   6.701
  109   1HB   ALA  16           HB1      ALA  16 -14.228  -2.450   5.256
  110   2HB   ALA  16           HB3      ALA  16 -13.136  -3.757   4.797
  111   3HB   ALA  16           HB2      ALA  16 -13.588  -3.538   6.487
  112    H    CYS  17           HN       CYS  17 -12.307  -1.173   3.359
  113    HA   CYS  17           HA       CYS  17 -10.366  -2.730   2.001
  114   1HB   CYS  17           HB2      CYS  17 -12.124  -1.138   1.092
  115   2HB   CYS  17           HB1      CYS  17 -11.001   0.172   1.455
  116    HG   CYS  17           HG       CYS  17  -9.919  -0.382  -0.691
  117    HA   PRO  18           HA       PRO  18  -7.152   0.673   3.135
  118   1HB   PRO  18           HB2      PRO  18  -7.936   2.205   5.370
  119   2HB   PRO  18           HB1      PRO  18  -7.965   2.720   3.681
  120   1HG   PRO  18           HG2      PRO  18 -10.206   2.193   5.413
  121   2HG   PRO  18           HG1      PRO  18 -10.227   2.757   3.739
  122   1HD   PRO  18           HD2      PRO  18 -10.824   0.090   4.771
  123   2HD   PRO  18           HD1      PRO  18 -11.053   0.721   3.127
  124    H    ILE  19           HN       ILE  19  -8.766  -1.380   5.307
  125    HA   ILE  19           HA       ILE  19  -6.689  -1.242   7.419
  126    HB   ILE  19           HB       ILE  19  -9.291  -2.717   6.972
  127   1HG1  ILE  19          HG12      ILE  19  -8.301  -0.820   9.125
  128   2HG1  ILE  19          HG11      ILE  19  -9.375  -0.387   7.794
  129   1HG2  ILE  19          HG21      ILE  19  -7.094  -3.278   8.943
  130   2HG2  ILE  19          HG23      ILE  19  -8.774  -3.519   9.421
  131   3HG2  ILE  19          HG22      ILE  19  -8.109  -4.416   8.056
  132   1HD1  ILE  19          HD13      ILE  19 -10.424  -2.709   9.122
  133   2HD1  ILE  19          HD12      ILE  19 -10.095  -1.460  10.323
  134   3HD1  ILE  19          HD11      ILE  19 -11.156  -1.113   8.958
  135    H    THR  20           HN       THR  20  -7.843  -3.293   4.826
  136    HA   THR  20           HA       THR  20  -6.042  -5.513   5.349
  137    HB   THR  20           HB       THR  20  -7.993  -4.567   3.281
  138    HG1  THR  20           HG1      THR  20  -8.873  -5.774   4.857
  139   1HG2  THR  20          HG22      THR  20  -6.041  -6.841   2.895
  140   2HG2  THR  20          HG21      THR  20  -7.468  -6.566   1.896
  141   3HG2  THR  20          HG23      THR  20  -6.164  -5.379   1.916
  142    H    VAL  21           HN       VAL  21  -6.093  -2.610   3.299
  143    HA   VAL  21           HA       VAL  21  -3.750  -3.236   1.768
  144    HB   VAL  21           HB       VAL  21  -5.063  -0.627   2.607
  145   1HG1  VAL  21          HG11      VAL  21  -2.827  -1.246   0.682
  146   2HG1  VAL  21          HG13      VAL  21  -3.860   0.163   0.446
  147   3HG1  VAL  21          HG12      VAL  21  -2.900   0.010   1.918
  148   1HG2  VAL  21          HG23      VAL  21  -5.822  -2.689   0.778
  149   2HG2  VAL  21          HG22      VAL  21  -6.616  -1.140   1.061
  150   3HG2  VAL  21          HG21      VAL  21  -5.360  -1.271  -0.164
  151    H    LYS  22           HN       LYS  22  -4.316  -1.359   4.735
  152    HA   LYS  22           HA       LYS  22  -1.711  -0.466   5.289
  153   1HB   LYS  22           HB2      LYS  22  -3.983  -0.143   6.504
  154   2HB   LYS  22           HB1      LYS  22  -3.564  -1.616   7.380
  155   1HG   LYS  22           HG2      LYS  22  -1.810  -0.620   8.500
  156   2HG   LYS  22           HG1      LYS  22  -1.487   0.521   7.195
  157   1HD   LYS  22           HD2      LYS  22  -3.245   1.947   7.838
  158   2HD   LYS  22           HD1      LYS  22  -4.039   0.690   8.786
  159   1HE   LYS  22           HE2      LYS  22  -1.296   1.288   9.690
  160   2HE   LYS  22           HE1      LYS  22  -2.431   2.642   9.867
  161   1HZ   LYS  22           HZ2      LYS  22  -4.039   0.914  10.749
  162   2HZ   LYS  22           HZ1      LYS  22  -2.699  -0.118  10.906
  163   3HZ   LYS  22           HZ3      LYS  22  -2.752   1.337  11.775
  164    H    LYS  23           HN       LYS  23  -3.187  -3.538   6.441
  165    HA   LYS  23           HA       LYS  23  -0.669  -4.527   7.463
  166   1HB   LYS  23           HB2      LYS  23  -1.961  -6.411   8.085
  167   2HB   LYS  23           HB1      LYS  23  -3.104  -5.069   8.129
  168   1HG   LYS  23           HG2      LYS  23  -4.314  -6.621   6.898
  169   2HG   LYS  23           HG1      LYS  23  -3.503  -5.740   5.604
  170   1HD   LYS  23           HD2      LYS  23  -2.188  -7.511   5.051
  171   2HD   LYS  23           HD1      LYS  23  -1.933  -7.967   6.735
  172   1HE   LYS  23           HE2      LYS  23  -3.261  -9.672   5.434
  173   2HE   LYS  23           HE1      LYS  23  -4.150  -9.016   6.824
  174   1HZ   LYS  23           HZ3      LYS  23  -4.336  -7.474   4.372
  175   2HZ   LYS  23           HZ2      LYS  23  -5.102  -8.990   4.327
  176   3HZ   LYS  23           HZ1      LYS  23  -5.537  -7.849   5.509
  177    H    ALA  24           HN       ALA  24  -1.937  -4.409   4.286
  178    HA   ALA  24           HA       ALA  24  -0.707  -6.826   3.291
  179   1HB   ALA  24           HB2      ALA  24  -1.781  -4.308   1.993
  180   2HB   ALA  24           HB1      ALA  24  -1.284  -5.741   1.092
  181   3HB   ALA  24           HB3      ALA  24  -2.645  -5.829   2.211
  182    H    LEU  25           HN       LEU  25  -0.019  -3.399   2.582
  183    HA   LEU  25           HA       LEU  25   2.553  -3.778   1.451
  184   1HB   LEU  25           HB2      LEU  25   1.360  -1.471   3.017
  185   2HB   LEU  25           HB1      LEU  25   2.738  -1.351   1.918
  186    HG   LEU  25           HG       LEU  25   0.893  -2.651   0.366
  187   1HD1  LEU  25          HD12      LEU  25  -0.519  -1.171   2.465
  188   2HD1  LEU  25          HD11      LEU  25  -1.024  -0.761   0.825
  189   3HD1  LEU  25          HD13      LEU  25  -1.104  -2.432   1.379
  190   1HD2  LEU  25          HD22      LEU  25   2.107  -0.037   0.577
  191   2HD2  LEU  25          HD21      LEU  25   1.649  -0.934  -0.871
  192   3HD2  LEU  25          HD23      LEU  25   0.469   0.097  -0.064
  193    H    SER  26           HN       SER  26   1.512  -3.405   4.806
  194    HA   SER  26           HA       SER  26   4.170  -3.064   5.918
  195   1HB   SER  26           HB2      SER  26   2.706  -2.483   7.556
  196   2HB   SER  26           HB1      SER  26   1.388  -3.341   6.765
  197    HG   SER  26           HG       SER  26   3.313  -4.297   8.594
  198    H    LYS  27           HN       LYS  27   2.185  -5.823   4.978
  199    HA   LYS  27           HA       LYS  27   3.953  -7.720   6.345
  200   1HB   LYS  27           HB2      LYS  27   1.818  -8.564   6.390
  201   2HB   LYS  27           HB1      LYS  27   1.350  -7.673   4.946
  202   1HG   LYS  27           HG2      LYS  27   3.242  -9.992   4.715
  203   2HG   LYS  27           HG1      LYS  27   1.504 -10.276   4.828
  204   1HD   LYS  27           HD2      LYS  27   2.020  -8.130   2.972
  205   2HD   LYS  27           HD1      LYS  27   2.966  -9.549   2.522
  206   1HE   LYS  27           HE2      LYS  27   0.335 -10.414   3.302
  207   2HE   LYS  27           HE1      LYS  27   0.190  -9.133   2.082
  208   1HZ   LYS  27           HZ3      LYS  27   2.033 -10.320   0.870
  209   2HZ   LYS  27           HZ2      LYS  27   1.776 -11.633   1.918
  210   3HZ   LYS  27           HZ1      LYS  27   0.535 -11.115   0.879
  211    H    VAL  28           HN       VAL  28   3.940  -6.053   3.414
  212    HA   VAL  28           HA       VAL  28   4.771  -7.749   1.396
  213    HB   VAL  28           HB       VAL  28   5.568  -5.006   2.330
  214   1HG1  VAL  28          HG12      VAL  28   6.992  -6.670   0.301
  215   2HG1  VAL  28          HG11      VAL  28   6.681  -4.984  -0.110
  216   3HG1  VAL  28          HG13      VAL  28   7.614  -5.382   1.332
  217   1HG2  VAL  28          HG22      VAL  28   3.406  -5.400   1.200
  218   2HG2  VAL  28          HG21      VAL  28   4.457  -4.376   0.222
  219   3HG2  VAL  28          HG23      VAL  28   4.256  -6.080  -0.187
  220    H    GLU  29           HN       GLU  29   7.354  -6.014   3.071
  221    HA   GLU  29           HA       GLU  29   8.747  -8.163   4.271
  222   1HB   GLU  29           HB2      GLU  29   8.801  -8.032   1.337
  223   2HB   GLU  29           HB1      GLU  29  10.415  -8.059   2.049
  224   1HG   GLU  29           HG2      GLU  29   8.784  -9.941   3.455
  225   2HG   GLU  29           HG1      GLU  29   8.607 -10.238   1.725
  226    H    GLY  30           HN       GLY  30   9.568  -5.580   1.928
  227   1HA   GLY  30           HA2      GLY  30  11.699  -4.601   3.706
  228   2HA   GLY  30           HA1      GLY  30  11.292  -3.949   2.116
  229    H    VAL  31           HN       VAL  31   8.384  -3.859   2.890
  230    HA   VAL  31           HA       VAL  31   8.126  -1.164   3.647
  231    HB   VAL  31           HB       VAL  31   6.354  -3.583   4.051
  232   1HG1  VAL  31          HG11      VAL  31   5.762  -0.636   4.459
  233   2HG1  VAL  31          HG13      VAL  31   4.517  -1.878   4.322
  234   3HG1  VAL  31          HG12      VAL  31   5.656  -1.916   5.668
  235   1HG2  VAL  31          HG21      VAL  31   6.603  -1.388   1.985
  236   2HG2  VAL  31          HG23      VAL  31   6.661  -3.132   1.735
  237   3HG2  VAL  31          HG22      VAL  31   5.133  -2.350   2.137
  238    H    SER  32           HN       SER  32   8.278  -0.086   5.482
  239    HA   SER  32           HA       SER  32   8.707  -1.638   8.012
  240   1HB   SER  32           HB2      SER  32   9.881   0.869   6.839
  241   2HB   SER  32           HB1      SER  32   9.876   0.654   8.587
  242    HG   SER  32           HG       SER  32  10.805  -1.508   8.035
  243    H    LYS  33           HN       LYS  33   6.752   0.599   6.347
  244    HA   LYS  33           HA       LYS  33   5.045   0.921   8.750
  245   1HB   LYS  33           HB2      LYS  33   6.334   2.806   9.173
  246   2HB   LYS  33           HB1      LYS  33   6.733   3.040   7.477
  247   1HG   LYS  33           HG2      LYS  33   5.264   4.830   8.021
  248   2HG   LYS  33           HG1      LYS  33   4.259   3.677   7.149
  249   1HD   LYS  33           HD2      LYS  33   2.886   3.556   8.926
  250   2HD   LYS  33           HD1      LYS  33   4.219   2.925   9.895
  251   1HE   LYS  33           HE2      LYS  33   3.928   4.842  11.117
  252   2HE   LYS  33           HE1      LYS  33   4.822   5.615   9.792
  253   1HZ   LYS  33           HZ3      LYS  33   1.921   5.124   9.572
  254   2HZ   LYS  33           HZ2      LYS  33   2.498   6.513  10.363
  255   3HZ   LYS  33           HZ1      LYS  33   2.875   6.243   8.728
  256    H    VAL  34           HN       VAL  34   2.899   1.798   8.123
  257    HA   VAL  34           HA       VAL  34   2.334   2.080   5.239
  258    HB   VAL  34           HB       VAL  34   2.459  -0.384   5.793
  259   1HG1  VAL  34          HG11      VAL  34   0.777   0.519   7.958
  260   2HG1  VAL  34          HG13      VAL  34  -0.079  -0.695   7.008
  261   3HG1  VAL  34          HG12      VAL  34   1.494  -1.071   7.708
  262   1HG2  VAL  34          HG21      VAL  34  -0.225   0.768   4.970
  263   2HG2  VAL  34          HG23      VAL  34   1.123   0.384   3.900
  264   3HG2  VAL  34          HG22      VAL  34   0.257  -0.910   4.725
  265    H    ASP  35           HN       ASP  35   0.125   2.847   4.877
  266    HA   ASP  35           HA       ASP  35  -1.566   3.404   7.228
  267   1HB   ASP  35           HB2      ASP  35   0.365   5.278   6.096
  268   2HB   ASP  35           HB1      ASP  35  -1.272   5.934   6.080
  269    H    VAL  36           HN       VAL  36  -3.548   4.707   6.460
  270    HA   VAL  36           HA       VAL  36  -4.116   4.340   3.560
  271    HB   VAL  36           HB       VAL  36  -6.266   3.207   4.252
  272   1HG1  VAL  36          HG12      VAL  36  -3.760   2.164   3.853
  273   2HG1  VAL  36          HG11      VAL  36  -4.192   1.464   5.412
  274   3HG1  VAL  36          HG13      VAL  36  -5.227   1.202   4.008
  275   1HG2  VAL  36          HG21      VAL  36  -4.987   3.649   6.913
  276   2HG2  VAL  36          HG23      VAL  36  -6.694   3.649   6.475
  277   3HG2  VAL  36          HG22      VAL  36  -5.833   2.123   6.671
  278    H    GLY  37           HN       GLY  37  -5.956   5.611   2.860
  279   1HA   GLY  37           HA2      GLY  37  -7.099   7.506   4.826
  280   2HA   GLY  37           HA1      GLY  37  -6.230   8.188   3.451
  281    H    PHE  38           HN       PHE  38  -9.229   6.989   4.521
  282    HA   PHE  38           HA       PHE  38 -10.339   6.092   2.016
  283   1HB   PHE  38           HB2      PHE  38 -11.103   6.494   4.753
  284   2HB   PHE  38           HB1      PHE  38 -12.321   7.245   3.723
  285    HD1  PHE  38           HD2      PHE  38 -12.727   5.707   1.450
  286    HD2  PHE  38           HD1      PHE  38 -11.570   4.298   5.340
  287    HE1  PHE  38           HE2      PHE  38 -13.650   3.467   0.912
  288    HE2  PHE  38           HE1      PHE  38 -12.492   2.060   4.802
  289    HZ   PHE  38           HZ       PHE  38 -13.549   1.648   2.599
  290    H    GLU  39           HN       GLU  39  -9.775   9.231   3.451
  291    HA   GLU  39           HA       GLU  39 -11.608  10.850   2.012
  292   1HB   GLU  39           HB2      GLU  39  -9.813  11.300   3.893
  293   2HB   GLU  39           HB1      GLU  39  -8.751  11.650   2.529
  294   1HG   GLU  39           HG2      GLU  39 -10.266  13.367   1.721
  295   2HG   GLU  39           HG1      GLU  39 -11.454  12.951   2.957
  296    H    LYS  40           HN       LYS  40  -8.749   9.139   1.008
  297    HA   LYS  40           HA       LYS  40  -9.150  10.132  -1.777
  298   1HB   LYS  40           HB2      LYS  40  -7.286  11.296  -0.431
  299   2HB   LYS  40           HB1      LYS  40  -6.435   9.752  -0.500
  300   1HG   LYS  40           HG2      LYS  40  -5.740  11.235  -2.354
  301   2HG   LYS  40           HG1      LYS  40  -6.546   9.789  -2.961
  302   1HD   LYS  40           HD2      LYS  40  -8.602  10.992  -3.319
  303   2HD   LYS  40           HD1      LYS  40  -7.980  12.413  -2.480
  304   1HE   LYS  40           HE2      LYS  40  -6.282  11.512  -4.721
  305   2HE   LYS  40           HE1      LYS  40  -7.890  12.089  -5.203
  306   1HZ   LYS  40           HZ3      LYS  40  -6.095  13.518  -3.316
  307   2HZ   LYS  40           HZ2      LYS  40  -6.239  13.901  -4.964
  308   3HZ   LYS  40           HZ1      LYS  40  -7.575  14.076  -3.928
  309    H    ARG  41           HN       ARG  41  -9.890   7.631  -0.413
  310    HA   ARG  41           HA       ARG  41  -9.414   5.292  -0.431
  311   1HB   ARG  41           HB2      ARG  41 -11.024   6.113  -2.123
  312   2HB   ARG  41           HB1      ARG  41  -9.701   6.233  -3.283
  313   1HG   ARG  41           HG2      ARG  41 -10.918   4.131  -3.561
  314   2HG   ARG  41           HG1      ARG  41  -9.261   3.841  -3.035
  315   1HD   ARG  41           HD2      ARG  41 -11.403   4.095  -0.947
  316   2HD   ARG  41           HD1      ARG  41 -11.242   2.567  -1.834
  317    HE   ARG  41           HE       ARG  41  -8.630   3.303  -1.135
  318   1HH1  ARG  41          HH21      ARG  41 -11.619   2.667   0.466
  319   2HH1  ARG  41          HH22      ARG  41 -10.866   2.101   1.918
  320   1HH2  ARG  41          HH11      ARG  41  -7.638   2.559   0.745
  321   2HH2  ARG  41          HH12      ARG  41  -8.615   2.027   2.072
  322    H    GLU  42           HN       GLU  42  -6.902   6.014   0.028
  323    HA   GLU  42           HA       GLU  42  -5.349   4.406  -1.928
  324   1HB   GLU  42           HB2      GLU  42  -3.654   6.248  -2.067
  325   2HB   GLU  42           HB1      GLU  42  -5.222   6.723  -2.722
  326   1HG   GLU  42           HG2      GLU  42  -5.786   7.796  -0.560
  327   2HG   GLU  42           HG1      GLU  42  -4.196   7.352   0.063
  328    H    ALA  43           HN       ALA  43  -3.008   4.056  -1.011
  329    HA   ALA  43           HA       ALA  43  -3.115   4.124   1.995
  330   1HB   ALA  43           HB1      ALA  43  -2.253   1.907   0.104
  331   2HB   ALA  43           HB3      ALA  43  -1.967   1.867   1.844
  332   3HB   ALA  43           HB2      ALA  43  -3.617   1.877   1.221
  333    H    VAL  44           HN       VAL  44  -1.294   5.076   2.877
  334    HA   VAL  44           HA       VAL  44   0.990   5.633   1.028
  335    HB   VAL  44           HB       VAL  44  -0.259   7.497   2.119
  336   1HG1  VAL  44          HG13      VAL  44  -0.279   5.781   4.299
  337   2HG1  VAL  44          HG12      VAL  44   0.877   7.025   4.773
  338   3HG1  VAL  44          HG11      VAL  44  -0.768   7.475   4.321
  339   1HG2  VAL  44          HG23      VAL  44   2.491   7.154   1.929
  340   2HG2  VAL  44          HG22      VAL  44   1.670   8.681   2.255
  341   3HG2  VAL  44          HG21      VAL  44   2.267   7.697   3.592
  342    H    VAL  45           HN       VAL  45   2.673   4.260   1.283
  343    HA   VAL  45           HA       VAL  45   3.212   3.185   4.030
  344    HB   VAL  45           HB       VAL  45   2.175   1.656   2.339
  345   1HG1  VAL  45          HG11      VAL  45   4.498   2.600   0.790
  346   2HG1  VAL  45          HG13      VAL  45   4.233   0.860   0.731
  347   3HG1  VAL  45          HG12      VAL  45   2.954   1.964   0.232
  348   1HG2  VAL  45          HG23      VAL  45   4.880   1.141   3.541
  349   2HG2  VAL  45          HG22      VAL  45   3.313   0.491   4.022
  350   3HG2  VAL  45          HG21      VAL  45   4.105  -0.105   2.564
  351    H    THR  46           HN       THR  46   5.351   2.862   4.621
  352    HA   THR  46           HA       THR  46   7.440   4.220   2.959
  353    HB   THR  46           HB       THR  46   6.853   3.913   5.891
  354    HG1  THR  46           HG1      THR  46   6.330   5.835   4.860
  355   1HG2  THR  46          HG22      THR  46   9.592   4.186   4.652
  356   2HG2  THR  46          HG21      THR  46   9.245   4.771   6.280
  357   3HG2  THR  46          HG23      THR  46   9.066   3.058   5.902
  358    H    PHE  47           HN       PHE  47   9.529   2.993   2.810
  359    HA   PHE  47           HA       PHE  47   9.653   0.336   3.991
  360   1HB   PHE  47           HB2      PHE  47   9.322  -0.915   1.930
  361   2HB   PHE  47           HB1      PHE  47   7.917   0.113   2.209
  362    HD1  PHE  47           HD2      PHE  47  11.089  -0.199   0.230
  363    HD2  PHE  47           HD1      PHE  47   7.347   1.880   0.727
  364    HE1  PHE  47           HE2      PHE  47  11.396   0.883  -1.964
  365    HE2  PHE  47           HE1      PHE  47   7.665   2.960  -1.478
  366    HZ   PHE  47           HZ       PHE  47   9.677   2.462  -2.824
  367    H    ASP  48           HN       ASP  48  11.376  -0.993   2.787
  368    HA   ASP  48           HA       ASP  48  13.666   0.832   2.240
  369   1HB   ASP  48           HB2      ASP  48  13.710  -2.126   2.883
  370   2HB   ASP  48           HB1      ASP  48  15.022  -0.962   3.074
  371    H    ASP  49           HN       ASP  49  14.279   0.933   0.127
  372    HA   ASP  49           HA       ASP  49  12.960  -0.783  -1.826
  373   1HB   ASP  49           HB2      ASP  49  13.596   1.690  -1.966
  374   2HB   ASP  49           HB1      ASP  49  15.246   1.142  -2.270
  375    H    THR  50           HN       THR  50  14.954  -2.058   0.100
  376    HA   THR  50           HA       THR  50  17.009  -3.038  -1.824
  377    HB   THR  50           HB       THR  50  17.730  -4.102   0.516
  378    HG1  THR  50           HG1      THR  50  17.044  -2.214   2.003
  379   1HG2  THR  50          HG22      THR  50  18.230  -1.589  -0.840
  380   2HG2  THR  50          HG21      THR  50  18.416  -1.410   0.905
  381   3HG2  THR  50          HG23      THR  50  19.356  -2.624   0.038
  382    H    LYS  51           HN       LYS  51  14.228  -3.988   0.102
  383    HA   LYS  51           HA       LYS  51  14.404  -6.744  -1.068
  384   1HB   LYS  51           HB2      LYS  51  13.690  -5.693   1.661
  385   2HB   LYS  51           HB1      LYS  51  13.030  -7.237   1.120
  386   1HG   LYS  51           HG2      LYS  51  15.222  -8.165   0.815
  387   2HG   LYS  51           HG1      LYS  51  15.986  -6.590   1.035
  388   1HD   LYS  51           HD2      LYS  51  16.192  -7.121   3.220
  389   2HD   LYS  51           HD1      LYS  51  14.443  -6.928   3.338
  390   1HE   LYS  51           HE2      LYS  51  14.108  -9.171   3.534
  391   2HE   LYS  51           HE1      LYS  51  15.260  -9.536   2.233
  392   1HZ   LYS  51           HZ3      LYS  51  16.274  -8.446   4.762
  393   2HZ   LYS  51           HZ2      LYS  51  15.854 -10.091   4.703
  394   3HZ   LYS  51           HZ1      LYS  51  17.038  -9.474   3.652
  395    H    ALA  52           HN       ALA  52  12.663  -3.862  -0.935
  396    HA   ALA  52           HA       ALA  52  10.316  -5.134  -2.244
  397   1HB   ALA  52           HB1      ALA  52  10.443  -4.125   0.460
  398   2HB   ALA  52           HB3      ALA  52   9.322  -3.146  -0.485
  399   3HB   ALA  52           HB2      ALA  52   9.084  -4.890  -0.363
  400    H    SER  53           HN       SER  53   8.751  -2.859  -2.452
  401    HA   SER  53           HA       SER  53  10.075  -0.426  -3.085
  402   1HB   SER  53           HB2      SER  53  10.611  -2.619  -4.849
  403   2HB   SER  53           HB1      SER  53   9.664  -1.424  -5.732
  404    HG   SER  53           HG       SER  53  11.825  -0.878  -5.882
  405    H    VAL  54           HN       VAL  54   8.656   1.000  -4.448
  406    HA   VAL  54           HA       VAL  54   5.974   1.040  -3.764
  407    HB   VAL  54           HB       VAL  54   7.412   2.736  -5.020
  408   1HG1  VAL  54          HG13      VAL  54   8.095   1.154  -6.822
  409   2HG1  VAL  54          HG12      VAL  54   6.426   1.123  -7.393
  410   3HG1  VAL  54          HG11      VAL  54   7.354   2.620  -7.464
  411   1HG2  VAL  54          HG23      VAL  54   4.739   2.552  -4.736
  412   2HG2  VAL  54          HG22      VAL  54   5.504   3.870  -5.625
  413   3HG2  VAL  54          HG21      VAL  54   4.837   2.488  -6.495
  414    H    GLN  55           HN       GLN  55   7.393  -0.592  -6.613
  415    HA   GLN  55           HA       GLN  55   5.003  -1.491  -7.831
  416   1HB   GLN  55           HB2      GLN  55   7.362  -1.623  -8.698
  417   2HB   GLN  55           HB1      GLN  55   7.654  -2.952  -7.575
  418   1HG   GLN  55           HG2      GLN  55   5.827  -4.241  -8.634
  419   2HG   GLN  55           HG1      GLN  55   5.561  -2.918  -9.771
  420   1HE2  GLN  55          HE22      GLN  55   8.671  -3.534 -11.532
  421   2HE2  GLN  55          HE21      GLN  55   7.682  -2.255 -11.017
  422    H    LYS  56           HN       LYS  56   6.964  -2.993  -5.266
  423    HA   LYS  56           HA       LYS  56   5.231  -5.297  -4.961
  424   1HB   LYS  56           HB2      LYS  56   7.538  -4.023  -3.515
  425   2HB   LYS  56           HB1      LYS  56   6.648  -5.330  -2.733
  426   1HG   LYS  56           HG2      LYS  56   7.897  -5.482  -5.493
  427   2HG   LYS  56           HG1      LYS  56   8.582  -6.190  -4.029
  428   1HD   LYS  56           HD2      LYS  56   6.066  -7.209  -3.921
  429   2HD   LYS  56           HD1      LYS  56   6.286  -7.099  -5.668
  430   1HE   LYS  56           HE2      LYS  56   8.277  -8.463  -5.587
  431   2HE   LYS  56           HE1      LYS  56   8.308  -8.399  -3.814
  432   1HZ   LYS  56           HZ2      LYS  56   5.770  -9.232  -4.884
  433   2HZ   LYS  56           HZ1      LYS  56   7.033 -10.297  -5.279
  434   3HZ   LYS  56           HZ3      LYS  56   6.709  -9.935  -3.655
  435    H    LEU  57           HN       LEU  57   5.178  -2.017  -3.691
  436    HA   LEU  57           HA       LEU  57   3.566  -2.570  -1.347
  437   1HB   LEU  57           HB2      LEU  57   3.835  -0.103  -3.098
  438   2HB   LEU  57           HB1      LEU  57   3.173  -0.125  -1.469
  439    HG   LEU  57           HG       LEU  57   6.013  -0.893  -2.214
  440   1HD1  LEU  57          HD13      LEU  57   4.758   1.623  -1.921
  441   2HD1  LEU  57          HD12      LEU  57   5.681   1.365  -0.441
  442   3HD1  LEU  57          HD11      LEU  57   6.489   1.299  -2.007
  443   1HD2  LEU  57          HD21      LEU  57   4.376  -1.207   0.221
  444   2HD2  LEU  57          HD23      LEU  57   5.907  -1.972  -0.205
  445   3HD2  LEU  57          HD22      LEU  57   5.895  -0.357   0.503
  446    H    THR  58           HN       THR  58   2.776  -1.197  -4.555
  447    HA   THR  58           HA       THR  58  -0.048  -1.235  -4.315
  448    HB   THR  58           HB       THR  58   1.793  -1.622  -6.701
  449    HG1  THR  58           HG1      THR  58   2.187   0.385  -6.291
  450   1HG2  THR  58          HG22      THR  58  -0.851  -2.139  -6.745
  451   2HG2  THR  58          HG21      THR  58  -0.896  -0.392  -6.980
  452   3HG2  THR  58          HG23      THR  58  -0.002  -1.410  -8.109
  453    H    LYS  59           HN       LYS  59   2.251  -3.777  -5.254
  454    HA   LYS  59           HA       LYS  59   0.235  -5.676  -6.043
  455   1HB   LYS  59           HB2      LYS  59   2.727  -5.537  -6.663
  456   2HB   LYS  59           HB1      LYS  59   3.042  -6.242  -5.077
  457   1HG   LYS  59           HG2      LYS  59   1.852  -8.238  -5.618
  458   2HG   LYS  59           HG1      LYS  59   1.142  -7.509  -7.058
  459   1HD   LYS  59           HD2      LYS  59   3.813  -7.188  -7.564
  460   2HD   LYS  59           HD1      LYS  59   3.809  -8.718  -6.685
  461   1HE   LYS  59           HE2      LYS  59   1.856  -9.388  -8.270
  462   2HE   LYS  59           HE1      LYS  59   2.423  -8.043  -9.280
  463   1HZ   LYS  59           HZ3      LYS  59   4.693  -8.981  -9.068
  464   2HZ   LYS  59           HZ2      LYS  59   4.027 -10.343  -8.301
  465   3HZ   LYS  59           HZ1      LYS  59   3.626  -9.992  -9.914
  466    H    ALA  60           HN       ALA  60   1.741  -4.752  -3.023
  467    HA   ALA  60           HA       ALA  60   1.070  -7.086  -1.512
  468   1HB   ALA  60           HB1      ALA  60   2.705  -5.121  -1.055
  469   2HB   ALA  60           HB3      ALA  60   1.283  -4.277  -0.443
  470   3HB   ALA  60           HB2      ALA  60   1.812  -5.777   0.317
  471    H    THR  61           HN       THR  61  -0.499  -3.880  -1.799
  472    HA   THR  61           HA       THR  61  -2.822  -4.600  -0.247
  473    HB   THR  61           HB       THR  61  -2.083  -2.276  -0.686
  474    HG1  THR  61           HG1      THR  61  -4.541  -2.800  -1.991
  475   1HG2  THR  61          HG22      THR  61  -2.739  -2.997  -3.554
  476   2HG2  THR  61          HG21      THR  61  -2.451  -1.351  -2.992
  477   3HG2  THR  61          HG23      THR  61  -1.159  -2.548  -2.911
  478    H    ALA  62           HN       ALA  62  -1.831  -4.809  -3.543
  479    HA   ALA  62           HA       ALA  62  -4.325  -5.473  -4.778
  480   1HB   ALA  62           HB1      ALA  62  -2.219  -4.791  -5.929
  481   2HB   ALA  62           HB3      ALA  62  -1.497  -6.334  -5.473
  482   3HB   ALA  62           HB2      ALA  62  -2.868  -6.295  -6.582
  483    H    ASP  63           HN       ASP  63  -1.924  -7.359  -3.007
  484    HA   ASP  63           HA       ASP  63  -3.296  -9.910  -3.609
  485   1HB   ASP  63           HB2      ASP  63  -1.343 -10.864  -2.787
  486   2HB   ASP  63           HB1      ASP  63  -0.717  -9.291  -3.269
  487    H    ALA  64           HN       ALA  64  -3.551  -7.350  -1.386
  488    HA   ALA  64           HA       ALA  64  -4.406  -8.878   0.947
  489   1HB   ALA  64           HB3      ALA  64  -3.467  -6.386   0.509
  490   2HB   ALA  64           HB2      ALA  64  -5.194  -6.035   0.470
  491   3HB   ALA  64           HB1      ALA  64  -4.475  -6.768   1.904
  492    H    GLY  65           HN       GLY  65  -5.884  -7.381  -1.874
  493   1HA   GLY  65           HA2      GLY  65  -8.050  -8.826  -2.352
  494   2HA   GLY  65           HA1      GLY  65  -8.578  -8.074  -0.852
  495    H    TYR  66           HN       TYR  66  -6.612  -6.365  -3.263
  496    HA   TYR  66           HA       TYR  66  -8.982  -4.984  -4.353
  497   1HB   TYR  66           HB2      TYR  66  -6.901  -3.556  -2.679
  498   2HB   TYR  66           HB1      TYR  66  -8.294  -2.812  -3.456
  499    HD1  TYR  66           HD1      TYR  66 -10.613  -3.638  -2.771
  500    HD2  TYR  66           HD2      TYR  66  -7.027  -4.422  -0.567
  501    HE1  TYR  66           HE1      TYR  66 -11.959  -4.070  -0.748
  502    HE2  TYR  66           HE2      TYR  66  -8.358  -4.850   1.456
  503    HH   TYR  66           HH       TYR  66 -11.440  -5.587   1.518
  504    HA   PRO  67           HA       PRO  67  -5.679  -5.066  -7.511
  505   1HB   PRO  67           HB2      PRO  67  -7.678  -3.852  -9.232
  506   2HB   PRO  67           HB1      PRO  67  -6.996  -5.477  -9.337
  507   1HG   PRO  67           HG2      PRO  67  -9.628  -4.741  -8.482
  508   2HG   PRO  67           HG1      PRO  67  -8.926  -6.360  -8.548
  509   1HD   PRO  67           HD2      PRO  67  -9.549  -4.815  -6.201
  510   2HD   PRO  67           HD1      PRO  67  -8.781  -6.422  -6.271
  511    H    SER  68           HN       SER  68  -4.464  -3.331  -6.589
  512    HA   SER  68           HA       SER  68  -5.679  -0.614  -6.732
  513   1HB   SER  68           HB2      SER  68  -4.158  -0.115  -4.928
  514   2HB   SER  68           HB1      SER  68  -4.890  -1.679  -4.583
  515    HG   SER  68           HG       SER  68  -2.285  -1.016  -5.234
  516    H    SER  69           HN       SER  69  -3.451   0.935  -6.564
  517    HA   SER  69           HA       SER  69  -1.598   0.334  -8.793
  518   1HB   SER  69           HB2      SER  69  -3.972   1.639  -9.259
  519   2HB   SER  69           HB1      SER  69  -2.895   2.988  -8.911
  520    HG   SER  69           HG       SER  69  -2.389   0.898 -10.772
  521    H    VAL  70           HN       VAL  70  -0.548   2.959  -8.935
  522    HA   VAL  70           HA       VAL  70   0.099   3.617  -6.120
  523    HB   VAL  70           HB       VAL  70   1.577   1.908  -7.329
  524   1HG1  VAL  70          HG13      VAL  70   1.622   3.905  -9.265
  525   2HG1  VAL  70          HG12      VAL  70   3.193   4.063  -8.481
  526   3HG1  VAL  70          HG11      VAL  70   2.715   2.522  -9.192
  527   1HG2  VAL  70          HG22      VAL  70   2.148   4.030  -5.507
  528   2HG2  VAL  70          HG21      VAL  70   2.980   2.481  -5.650
  529   3HG2  VAL  70          HG23      VAL  70   3.535   3.873  -6.581
  530    H    LYS  71           HN       LYS  71   1.066   5.744  -5.854
  531    HA   LYS  71           HA       LYS  71   0.706   7.512  -8.256
  532   1HB   LYS  71           HB2      LYS  71   0.143   8.617  -5.553
  533   2HB   LYS  71           HB1      LYS  71  -0.693   8.916  -7.073
  534   1HG   LYS  71           HG2      LYS  71  -1.802   6.745  -6.935
  535   2HG   LYS  71           HG1      LYS  71  -0.907   6.355  -5.466
  536   1HD   LYS  71           HD2      LYS  71  -2.601   7.278  -4.312
  537   2HD   LYS  71           HD1      LYS  71  -2.057   8.839  -4.929
  538   1HE   LYS  71           HE2      LYS  71  -3.623   7.432  -6.939
  539   2HE   LYS  71           HE1      LYS  71  -4.548   7.650  -5.440
  540   1HZ   LYS  71           HZ1      LYS  71  -2.894   9.835  -6.539
  541   2HZ   LYS  71           HZ3      LYS  71  -4.479   9.593  -7.093
  542   3HZ   LYS  71           HZ2      LYS  71  -4.196   9.931  -5.452
  543    H    GLN  72           HN       GLN  72   2.975   6.214  -6.988
  544    HA   GLN  72           HA       GLN  72   4.679   7.666  -5.378
  545   1HB   GLN  72           HB2      GLN  72   6.435   6.532  -6.504
  546   2HB   GLN  72           HB1      GLN  72   5.021   5.518  -6.791
  547   1HG   GLN  72           HG2      GLN  72   4.693   6.834  -8.961
  548   2HG   GLN  72           HG1      GLN  72   6.311   7.483  -8.693
  549   1HE2  GLN  72          HE22      GLN  72   7.913   4.275  -9.208
  550   2HE2  GLN  72          HE21      GLN  72   8.046   5.682  -8.269
   
  No H/Q in entry =         550
  Start of MODEL   20
    1   1H    ALA   1           HT3      ALA   1  17.465   2.647   2.538
    2   2H    ALA   1           HT2      ALA   1  18.391   2.577   1.116
    3   3H    ALA   1           HT1      ALA   1  18.348   4.004   2.035
    4    HA   ALA   1           HA       ALA   1  16.784   4.665   0.570
    5   1HB   ALA   1           HB2      ALA   1  17.504   2.494  -0.645
    6   2HB   ALA   1           HB1      ALA   1  16.058   1.775   0.063
    7   3HB   ALA   1           HB3      ALA   1  15.913   3.146  -1.037
    8    H    THR   2           HN       THR   2  15.008   5.522   1.541
    9    HA   THR   2           HA       THR   2  12.999   3.799   2.807
   10    HB   THR   2           HB       THR   2  14.156   4.432   4.718
   11    HG1  THR   2           HG1      THR   2  12.427   5.308   5.478
   12   1HG2  THR   2          HG22      THR   2  15.801   5.862   3.505
   13   2HG2  THR   2          HG21      THR   2  14.617   7.169   3.510
   14   3HG2  THR   2          HG23      THR   2  15.282   6.576   5.031
   15    H    GLN   3           HN       GLN   3  11.743   4.278   1.031
   16    HA   GLN   3           HA       GLN   3  11.153   7.167   0.487
   17   1HB   GLN   3           HB2      GLN   3  11.426   4.697  -1.053
   18   2HB   GLN   3           HB1      GLN   3   9.996   5.627  -1.505
   19   1HG   GLN   3           HG2      GLN   3  11.906   6.361  -2.844
   20   2HG   GLN   3           HG1      GLN   3  11.425   7.652  -1.743
   21   1HE2  GLN   3          HE22      GLN   3  14.680   7.822  -0.433
   22   2HE2  GLN   3          HE21      GLN   3  13.277   8.638  -0.929
   23    H    THR   4           HN       THR   4   8.910   7.725  -0.086
   24    HA   THR   4           HA       THR   4   6.855   6.046   1.304
   25    HB   THR   4           HB       THR   4   7.424   7.844   2.784
   26    HG1  THR   4           HG1      THR   4   5.094   7.610   1.830
   27   1HG2  THR   4          HG21      THR   4   8.709   9.161   1.129
   28   2HG2  THR   4          HG23      THR   4   7.199   9.681   0.382
   29   3HG2  THR   4          HG22      THR   4   7.584  10.176   2.030
   30    H    VAL   5           HN       VAL   5   5.148   5.635  -0.017
   31    HA   VAL   5           HA       VAL   5   4.438   7.558  -2.214
   32    HB   VAL   5           HB       VAL   5   4.543   4.559  -2.520
   33   1HG1  VAL   5          HG12      VAL   5   3.975   6.913  -4.221
   34   2HG1  VAL   5          HG11      VAL   5   4.965   5.657  -4.966
   35   3HG1  VAL   5          HG13      VAL   5   3.364   5.263  -4.339
   36   1HG2  VAL   5          HG21      VAL   5   6.706   6.620  -3.013
   37   2HG2  VAL   5          HG23      VAL   5   6.815   5.155  -2.037
   38   3HG2  VAL   5          HG22      VAL   5   6.706   5.037  -3.793
   39    H    THR   6           HN       THR   6   2.227   6.988  -3.052
   40    HA   THR   6           HA       THR   6   0.532   5.897  -0.845
   41    HB   THR   6           HB       THR   6  -0.115   8.142  -1.271
   42    HG1  THR   6           HG1      THR   6  -1.724   6.751  -3.118
   43   1HG2  THR   6          HG23      THR   6   0.649   7.430  -4.053
   44   2HG2  THR   6          HG22      THR   6  -0.608   8.650  -3.850
   45   3HG2  THR   6          HG21      THR   6   0.986   8.900  -3.138
   46    H    LEU   7           HN       LEU   7  -1.512   4.795  -1.869
   47    HA   LEU   7           HA       LEU   7  -0.695   3.383  -4.369
   48   1HB   LEU   7           HB2      LEU   7  -0.924   2.431  -1.639
   49   2HB   LEU   7           HB1      LEU   7  -2.034   1.554  -2.693
   50    HG   LEU   7           HG       LEU   7  -0.276   0.886  -4.148
   51   1HD1  LEU   7          HD11      LEU   7   1.322   2.971  -2.704
   52   2HD1  LEU   7          HD13      LEU   7   2.117   1.668  -3.586
   53   3HD1  LEU   7          HD12      LEU   7   1.053   2.784  -4.432
   54   1HD2  LEU   7          HD21      LEU   7  -0.224   0.236  -1.409
   55   2HD2  LEU   7          HD23      LEU   7   0.523  -0.683  -2.717
   56   3HD2  LEU   7          HD22      LEU   7   1.458   0.532  -1.845
   57    H    ALA   8           HN       ALA   8  -2.523   2.426  -5.492
   58    HA   ALA   8           HA       ALA   8  -5.076   3.886  -4.909
   59   1HB   ALA   8           HB2      ALA   8  -3.755   4.351  -7.025
   60   2HB   ALA   8           HB1      ALA   8  -4.090   2.691  -7.515
   61   3HB   ALA   8           HB3      ALA   8  -5.417   3.832  -7.302
   62    H    VAL   9           HN       VAL   9  -6.168   2.333  -3.641
   63    HA   VAL   9           HA       VAL   9  -6.497  -0.385  -4.860
   64    HB   VAL   9           HB       VAL   9  -5.478  -0.512  -2.701
   65   1HG1  VAL   9          HG11      VAL   9  -7.418   1.680  -2.047
   66   2HG1  VAL   9          HG13      VAL   9  -6.827   0.645  -0.747
   67   3HG1  VAL   9          HG12      VAL   9  -5.689   1.582  -1.714
   68   1HG2  VAL   9          HG23      VAL   9  -8.307  -1.271  -2.958
   69   2HG2  VAL   9          HG22      VAL   9  -6.941  -2.210  -2.362
   70   3HG2  VAL   9          HG21      VAL   9  -7.778  -1.094  -1.287
   71    HA   PRO  10           HA       PRO  10 -10.604   1.506  -5.434
   72   1HB   PRO  10           HB2      PRO  10 -11.167  -0.284  -7.524
   73   2HB   PRO  10           HB1      PRO  10 -10.502   1.343  -7.698
   74   1HG   PRO  10           HG2      PRO  10  -9.183  -1.208  -8.134
   75   2HG   PRO  10           HG1      PRO  10  -8.592   0.416  -8.493
   76   1HD   PRO  10           HD2      PRO  10  -7.802  -1.330  -6.321
   77   2HD   PRO  10           HD1      PRO  10  -7.172   0.290  -6.714
   78    H    GLY  11           HN       GLY  11 -10.101  -0.583  -3.394
   79   1HA   GLY  11           HA2      GLY  11 -12.051  -2.710  -3.907
   80   2HA   GLY  11           HA1      GLY  11 -11.146  -2.466  -2.412
   81    H    MET  12           HN       MET  12 -11.770   0.026  -1.633
   82    HA   MET  12           HA       MET  12 -13.449   1.084  -0.330
   83   1HB   MET  12           HB2      MET  12 -13.783   1.382  -3.048
   84   2HB   MET  12           HB1      MET  12 -15.376   0.815  -2.547
   85   1HG   MET  12           HG2      MET  12 -14.746   2.654  -0.582
   86   2HG   MET  12           HG1      MET  12 -14.074   3.394  -2.034
   87   1HE   MET  12           HE1      MET  12 -16.843   2.718   0.140
   88   2HE   MET  12           HE3      MET  12 -16.714   4.453  -0.178
   89   3HE   MET  12           HE2      MET  12 -18.193   3.586  -0.586
   90    H    THR  13           HN       THR  13 -13.418  -1.418   0.532
   91    HA   THR  13           HA       THR  13 -16.053  -2.705   0.163
   92    HB   THR  13           HB       THR  13 -14.708  -4.030   2.184
   93    HG1  THR  13           HG1      THR  13 -12.766  -3.184   0.322
   94   1HG2  THR  13          HG22      THR  13 -14.893  -4.286  -0.781
   95   2HG2  THR  13          HG21      THR  13 -13.753  -5.333   0.065
   96   3HG2  THR  13          HG23      THR  13 -15.467  -5.379   0.479
   97    H    CYS  14           HN       CYS  14 -15.351  -0.012   1.641
   98    HA   CYS  14           HA       CYS  14 -16.351   1.169   3.420
   99   1HB   CYS  14           HB2      CYS  14 -18.232  -0.424   2.501
  100   2HB   CYS  14           HB1      CYS  14 -17.955  -1.308   4.001
  101    HG   CYS  14           HG       CYS  14 -19.323   1.417   3.772
  102    H    ALA  15           HN       ALA  15 -14.317   1.040   4.609
  103    HA   ALA  15           HA       ALA  15 -13.146   0.613   6.622
  104   1HB   ALA  15           HB1      ALA  15 -15.751   0.449   7.248
  105   2HB   ALA  15           HB3      ALA  15 -15.315  -1.239   7.520
  106   3HB   ALA  15           HB2      ALA  15 -14.495   0.040   8.416
  107    H    ALA  16           HN       ALA  16 -13.018  -1.160   4.189
  108    HA   ALA  16           HA       ALA  16 -11.829  -3.546   5.556
  109   1HB   ALA  16           HB2      ALA  16 -14.191  -3.397   3.920
  110   2HB   ALA  16           HB1      ALA  16 -12.966  -4.333   3.064
  111   3HB   ALA  16           HB3      ALA  16 -13.478  -4.820   4.680
  112    H    CYS  17           HN       CYS  17 -12.204  -1.831   2.445
  113    HA   CYS  17           HA       CYS  17  -9.961  -2.870   1.090
  114   1HB   CYS  17           HB2      CYS  17 -11.358  -1.621  -0.239
  115   2HB   CYS  17           HB1      CYS  17 -11.680  -0.439   1.020
  116    HG   CYS  17           HG       CYS  17  -9.464   0.770   0.430
  117    HA   PRO  18           HA       PRO  18  -7.342   0.749   2.932
  118   1HB   PRO  18           HB2      PRO  18  -8.437   1.783   5.297
  119   2HB   PRO  18           HB1      PRO  18  -8.499   2.542   3.703
  120   1HG   PRO  18           HG2      PRO  18 -10.649   1.253   5.218
  121   2HG   PRO  18           HG1      PRO  18 -10.759   2.315   3.814
  122   1HD   PRO  18           HD2      PRO  18 -11.144  -0.505   3.865
  123   2HD   PRO  18           HD1      PRO  18 -11.066   0.535   2.422
  124    H    ILE  19           HN       ILE  19  -8.833  -1.791   4.714
  125    HA   ILE  19           HA       ILE  19  -6.822  -1.716   6.898
  126    HB   ILE  19           HB       ILE  19  -9.299  -3.310   6.228
  127   1HG1  ILE  19          HG12      ILE  19  -8.674  -1.898   8.809
  128   2HG1  ILE  19          HG11      ILE  19  -9.172  -0.957   7.403
  129   1HG2  ILE  19          HG21      ILE  19  -7.119  -3.927   8.211
  130   2HG2  ILE  19          HG23      ILE  19  -8.790  -4.357   8.575
  131   3HG2  ILE  19          HG22      ILE  19  -7.996  -5.029   7.150
  132   1HD1  ILE  19          HD11      ILE  19 -11.041  -2.891   7.303
  133   2HD1  ILE  19          HD13      ILE  19 -10.735  -2.890   9.040
  134   3HD1  ILE  19          HD12      ILE  19 -11.262  -1.411   8.237
  135    H    THR  20           HN       THR  20  -7.769  -3.648   4.113
  136    HA   THR  20           HA       THR  20  -5.775  -5.720   4.522
  137    HB   THR  20           HB       THR  20  -7.812  -4.856   2.501
  138    HG1  THR  20           HG1      THR  20  -8.129  -7.286   2.864
  139   1HG2  THR  20          HG23      THR  20  -5.378  -6.440   1.945
  140   2HG2  THR  20          HG22      THR  20  -6.893  -7.108   1.336
  141   3HG2  THR  20          HG21      THR  20  -6.381  -5.491   0.851
  142    H    VAL  21           HN       VAL  21  -6.121  -2.824   2.472
  143    HA   VAL  21           HA       VAL  21  -3.719  -3.177   0.985
  144    HB   VAL  21           HB       VAL  21  -5.247  -0.704   1.856
  145   1HG1  VAL  21          HG13      VAL  21  -2.919  -0.218   1.100
  146   2HG1  VAL  21          HG12      VAL  21  -3.272  -1.038  -0.421
  147   3HG1  VAL  21          HG11      VAL  21  -4.138   0.438   0.007
  148   1HG2  VAL  21          HG21      VAL  21  -5.983  -2.811   0.164
  149   2HG2  VAL  21          HG23      VAL  21  -6.740  -1.221   0.245
  150   3HG2  VAL  21          HG22      VAL  21  -5.460  -1.529  -0.929
  151    H    LYS  22           HN       LYS  22  -4.415  -1.417   4.003
  152    HA   LYS  22           HA       LYS  22  -1.855  -0.334   4.498
  153   1HB   LYS  22           HB2      LYS  22  -4.092  -0.078   5.738
  154   2HB   LYS  22           HB1      LYS  22  -3.674  -1.573   6.577
  155   1HG   LYS  22           HG2      LYS  22  -1.569  -0.547   7.359
  156   2HG   LYS  22           HG1      LYS  22  -1.992   0.951   6.526
  157   1HD   LYS  22           HD2      LYS  22  -4.173   0.875   7.915
  158   2HD   LYS  22           HD1      LYS  22  -3.332  -0.307   8.918
  159   1HE   LYS  22           HE2      LYS  22  -1.401   1.512   8.898
  160   2HE   LYS  22           HE1      LYS  22  -2.750   2.613   8.550
  161   1HZ   LYS  22           HZ1      LYS  22  -2.883   0.572  10.693
  162   2HZ   LYS  22           HZ3      LYS  22  -2.299   2.138  10.983
  163   3HZ   LYS  22           HZ2      LYS  22  -3.899   1.914  10.457
  164    H    LYS  23           HN       LYS  23  -3.143  -3.458   5.711
  165    HA   LYS  23           HA       LYS  23  -0.535  -4.328   6.653
  166   1HB   LYS  23           HB2      LYS  23  -1.749  -6.290   7.315
  167   2HB   LYS  23           HB1      LYS  23  -2.844  -4.925   7.537
  168   1HG   LYS  23           HG2      LYS  23  -4.308  -6.101   6.274
  169   2HG   LYS  23           HG1      LYS  23  -3.292  -5.648   4.906
  170   1HD   LYS  23           HD2      LYS  23  -2.763  -7.808   4.587
  171   2HD   LYS  23           HD1      LYS  23  -2.055  -7.867   6.202
  172   1HE   LYS  23           HE2      LYS  23  -4.095  -8.593   7.191
  173   2HE   LYS  23           HE1      LYS  23  -5.040  -8.139   5.759
  174   1HZ   LYS  23           HZ2      LYS  23  -2.801  -9.985   5.391
  175   2HZ   LYS  23           HZ1      LYS  23  -4.206 -10.602   6.119
  176   3HZ   LYS  23           HZ3      LYS  23  -4.288  -9.911   4.572
  177    H    ALA  24           HN       ALA  24  -1.699  -4.091   3.515
  178    HA   ALA  24           HA       ALA  24  -0.710  -6.640   2.521
  179   1HB   ALA  24           HB1      ALA  24  -2.135  -4.256   1.590
  180   2HB   ALA  24           HB3      ALA  24  -0.989  -4.869   0.399
  181   3HB   ALA  24           HB2      ALA  24  -2.262  -5.919   1.019
  182    H    LEU  25           HN       LEU  25   0.165  -3.316   1.818
  183    HA   LEU  25           HA       LEU  25   2.809  -3.972   0.862
  184   1HB   LEU  25           HB2      LEU  25   2.914  -1.296   1.697
  185   2HB   LEU  25           HB1      LEU  25   2.584  -1.865   0.074
  186    HG   LEU  25           HG       LEU  25   0.904  -0.267   0.810
  187   1HD1  LEU  25          HD12      LEU  25   0.307  -2.980  -0.014
  188   2HD1  LEU  25          HD11      LEU  25  -1.056  -2.192   0.766
  189   3HD1  LEU  25          HD13      LEU  25  -0.300  -1.451  -0.635
  190   1HD2  LEU  25          HD21      LEU  25   1.129  -0.775   3.250
  191   2HD2  LEU  25          HD23      LEU  25  -0.530  -0.610   2.692
  192   3HD2  LEU  25          HD22      LEU  25   0.147  -2.204   2.996
  193    H    SER  26           HN       SER  26   1.401  -3.366   3.960
  194    HA   SER  26           HA       SER  26   3.873  -2.795   5.394
  195   1HB   SER  26           HB2      SER  26   1.875  -2.106   6.447
  196   2HB   SER  26           HB1      SER  26   1.040  -3.602   6.043
  197    HG   SER  26           HG       SER  26   2.493  -2.978   8.227
  198    H    LYS  27           HN       LYS  27   2.146  -5.660   4.319
  199    HA   LYS  27           HA       LYS  27   3.904  -7.405   5.944
  200   1HB   LYS  27           HB2      LYS  27   1.381  -7.701   4.343
  201   2HB   LYS  27           HB1      LYS  27   2.315  -9.134   4.771
  202   1HG   LYS  27           HG2      LYS  27   0.415  -8.253   6.389
  203   2HG   LYS  27           HG1      LYS  27   1.923  -8.882   7.049
  204   1HD   LYS  27           HD2      LYS  27   2.815  -6.639   7.308
  205   2HD   LYS  27           HD1      LYS  27   1.421  -5.944   6.480
  206   1HE   LYS  27           HE2      LYS  27   0.806  -5.633   8.721
  207   2HE   LYS  27           HE1      LYS  27   0.075  -7.220   8.401
  208   1HZ   LYS  27           HZ2      LYS  27   2.819  -6.783   9.462
  209   2HZ   LYS  27           HZ1      LYS  27   1.480  -7.250  10.398
  210   3HZ   LYS  27           HZ3      LYS  27   2.075  -8.287   9.195
  211    H    VAL  28           HN       VAL  28   3.941  -5.946   2.930
  212    HA   VAL  28           HA       VAL  28   4.763  -7.821   1.046
  213    HB   VAL  28           HB       VAL  28   5.535  -5.000   1.738
  214   1HG1  VAL  28          HG11      VAL  28   6.777  -6.619  -0.510
  215   2HG1  VAL  28          HG13      VAL  28   6.951  -4.877  -0.291
  216   3HG1  VAL  28          HG12      VAL  28   7.631  -5.990   0.897
  217   1HG2  VAL  28          HG23      VAL  28   3.403  -5.752   0.516
  218   2HG2  VAL  28          HG22      VAL  28   4.349  -4.480  -0.256
  219   3HG2  VAL  28          HG21      VAL  28   4.455  -6.139  -0.845
  220    H    GLU  29           HN       GLU  29   7.000  -6.077   3.227
  221    HA   GLU  29           HA       GLU  29   8.487  -8.106   4.359
  222   1HB   GLU  29           HB2      GLU  29   8.808  -7.987   1.446
  223   2HB   GLU  29           HB1      GLU  29  10.349  -7.910   2.303
  224   1HG   GLU  29           HG2      GLU  29   8.882  -9.868   3.661
  225   2HG   GLU  29           HG1      GLU  29   8.557 -10.171   1.953
  226    H    GLY  30           HN       GLY  30   9.838  -5.773   2.021
  227   1HA   GLY  30           HA2      GLY  30  11.669  -4.675   3.955
  228   2HA   GLY  30           HA1      GLY  30  11.346  -4.005   2.357
  229    H    VAL  31           HN       VAL  31   8.408  -3.848   2.982
  230    HA   VAL  31           HA       VAL  31   8.032  -1.198   3.639
  231    HB   VAL  31           HB       VAL  31   6.326  -2.975   3.050
  232   1HG1  VAL  31          HG11      VAL  31   7.266  -4.202   5.317
  233   2HG1  VAL  31          HG13      VAL  31   5.783  -3.456   5.909
  234   3HG1  VAL  31          HG12      VAL  31   5.723  -4.576   4.548
  235   1HG2  VAL  31          HG23      VAL  31   5.907  -0.576   4.019
  236   2HG2  VAL  31          HG22      VAL  31   4.565  -1.718   3.974
  237   3HG2  VAL  31          HG21      VAL  31   5.432  -1.438   5.483
  238    H    SER  32           HN       SER  32   8.096   0.058   5.382
  239    HA   SER  32           HA       SER  32   8.904  -1.210   7.977
  240   1HB   SER  32           HB2      SER  32  10.436   0.370   6.445
  241   2HB   SER  32           HB1      SER  32   9.551   1.628   7.304
  242    HG   SER  32           HG       SER  32  10.517   1.076   9.114
  243    H    LYS  33           HN       LYS  33   6.639   0.734   6.323
  244    HA   LYS  33           HA       LYS  33   5.057   1.065   8.780
  245   1HB   LYS  33           HB2      LYS  33   6.345   2.935   9.236
  246   2HB   LYS  33           HB1      LYS  33   6.695   3.239   7.539
  247   1HG   LYS  33           HG2      LYS  33   4.438   4.084   7.178
  248   2HG   LYS  33           HG1      LYS  33   3.988   3.671   8.833
  249   1HD   LYS  33           HD2      LYS  33   6.216   5.601   8.131
  250   2HD   LYS  33           HD1      LYS  33   4.568   6.105   8.503
  251   1HE   LYS  33           HE2      LYS  33   6.082   4.329  10.422
  252   2HE   LYS  33           HE1      LYS  33   6.287   6.091  10.458
  253   1HZ   LYS  33           HZ3      LYS  33   3.645   5.899  10.217
  254   2HZ   LYS  33           HZ2      LYS  33   3.952   4.487  11.112
  255   3HZ   LYS  33           HZ1      LYS  33   4.433   6.001  11.715
  256    H    VAL  34           HN       VAL  34   2.925   2.125   8.257
  257    HA   VAL  34           HA       VAL  34   2.230   2.452   5.417
  258    HB   VAL  34           HB       VAL  34   1.348   0.100   7.114
  259   1HG1  VAL  34          HG11      VAL  34  -0.435   1.461   5.620
  260   2HG1  VAL  34          HG13      VAL  34   0.284   0.467   4.356
  261   3HG1  VAL  34          HG12      VAL  34  -0.466  -0.293   5.758
  262   1HG2  VAL  34          HG22      VAL  34   2.845   0.467   4.519
  263   2HG2  VAL  34          HG21      VAL  34   3.324  -0.455   5.944
  264   3HG2  VAL  34          HG23      VAL  34   2.041  -1.058   4.895
  265    H    ASP  35           HN       ASP  35   0.170   3.464   5.179
  266    HA   ASP  35           HA       ASP  35  -1.369   4.060   7.663
  267   1HB   ASP  35           HB2      ASP  35   0.396   5.818   6.174
  268   2HB   ASP  35           HB1      ASP  35  -1.253   6.444   6.162
  269    H    VAL  36           HN       VAL  36  -3.514   5.163   7.009
  270    HA   VAL  36           HA       VAL  36  -4.473   3.919   4.459
  271    HB   VAL  36           HB       VAL  36  -5.807   4.715   7.060
  272   1HG1  VAL  36          HG13      VAL  36  -6.948   3.912   4.397
  273   2HG1  VAL  36          HG12      VAL  36  -7.778   3.439   5.880
  274   3HG1  VAL  36          HG11      VAL  36  -7.515   5.146   5.522
  275   1HG2  VAL  36          HG22      VAL  36  -4.400   2.559   6.800
  276   2HG2  VAL  36          HG21      VAL  36  -6.036   2.388   7.436
  277   3HG2  VAL  36          HG23      VAL  36  -5.700   1.996   5.749
  278    H    GLY  37           HN       GLY  37  -5.827   5.144   3.077
  279   1HA   GLY  37           HA2      GLY  37  -6.222   8.021   3.670
  280   2HA   GLY  37           HA1      GLY  37  -5.308   7.610   2.215
  281    H    PHE  38           HN       PHE  38  -8.307   6.471   3.802
  282    HA   PHE  38           HA       PHE  38  -9.581   5.571   1.425
  283   1HB   PHE  38           HB2      PHE  38 -10.043   5.574   4.133
  284   2HB   PHE  38           HB1      PHE  38 -11.289   6.681   3.560
  285    HD1  PHE  38           HD1      PHE  38  -9.849   3.791   1.678
  286    HD2  PHE  38           HD2      PHE  38 -13.240   5.347   3.813
  287    HE1  PHE  38           HE1      PHE  38 -11.215   1.873   0.905
  288    HE2  PHE  38           HE2      PHE  38 -14.603   3.425   3.042
  289    HZ   PHE  38           HZ       PHE  38 -13.597   1.689   1.591
  290    H    GLU  39           HN       GLU  39  -9.205   8.802   2.727
  291    HA   GLU  39           HA       GLU  39 -11.372  10.181   1.589
  292   1HB   GLU  39           HB2      GLU  39  -9.024  10.788   2.877
  293   2HB   GLU  39           HB1      GLU  39  -8.709  11.429   1.264
  294   1HG   GLU  39           HG2      GLU  39 -10.083  13.173   1.626
  295   2HG   GLU  39           HG1      GLU  39 -11.399  12.095   2.092
  296    H    LYS  40           HN       LYS  40  -8.710   8.584   0.037
  297    HA   LYS  40           HA       LYS  40  -9.797   9.351  -2.626
  298   1HB   LYS  40           HB2      LYS  40  -7.244  10.094  -1.382
  299   2HB   LYS  40           HB1      LYS  40  -7.047   9.346  -2.968
  300   1HG   LYS  40           HG2      LYS  40  -8.873  10.951  -3.781
  301   2HG   LYS  40           HG1      LYS  40  -8.638  11.815  -2.261
  302   1HD   LYS  40           HD2      LYS  40  -6.120  11.799  -2.885
  303   2HD   LYS  40           HD1      LYS  40  -6.676  11.409  -4.513
  304   1HE   LYS  40           HE2      LYS  40  -7.963  13.448  -4.649
  305   2HE   LYS  40           HE1      LYS  40  -7.685  13.797  -2.931
  306   1HZ   LYS  40           HZ2      LYS  40  -5.192  13.405  -3.770
  307   2HZ   LYS  40           HZ1      LYS  40  -5.868  14.054  -5.187
  308   3HZ   LYS  40           HZ3      LYS  40  -5.927  14.936  -3.740
  309    H    ARG  41           HN       ARG  41 -10.049   6.875  -1.159
  310    HA   ARG  41           HA       ARG  41  -9.511   4.570  -1.274
  311   1HB   ARG  41           HB2      ARG  41 -10.798   5.535  -3.376
  312   2HB   ARG  41           HB1      ARG  41  -9.313   5.063  -4.209
  313   1HG   ARG  41           HG2      ARG  41  -9.856   2.889  -4.086
  314   2HG   ARG  41           HG1      ARG  41 -10.138   3.011  -2.348
  315   1HD   ARG  41           HD2      ARG  41 -12.249   2.400  -3.249
  316   2HD   ARG  41           HD1      ARG  41 -12.370   4.151  -2.994
  317    HE   ARG  41           HE       ARG  41 -11.252   3.810  -5.559
  318   1HH1  ARG  41          HH21      ARG  41 -14.154   2.992  -3.882
  319   2HH1  ARG  41          HH22      ARG  41 -15.126   2.966  -5.313
  320   1HH2  ARG  41          HH11      ARG  41 -12.508   3.785  -7.429
  321   2HH2  ARG  41          HH12      ARG  41 -14.196   3.414  -7.319
  322    H    GLU  42           HN       GLU  42  -7.192   5.526  -0.522
  323    HA   GLU  42           HA       GLU  42  -5.240   4.071  -2.210
  324   1HB   GLU  42           HB2      GLU  42  -3.759   6.111  -2.222
  325   2HB   GLU  42           HB1      GLU  42  -5.255   6.315  -3.135
  326   1HG   GLU  42           HG2      GLU  42  -5.886   8.022  -1.813
  327   2HG   GLU  42           HG1      GLU  42  -5.701   7.019  -0.374
  328    H    ALA  43           HN       ALA  43  -3.036   3.984  -1.093
  329    HA   ALA  43           HA       ALA  43  -3.312   4.224   1.889
  330   1HB   ALA  43           HB3      ALA  43  -2.227   1.943   0.197
  331   2HB   ALA  43           HB2      ALA  43  -2.057   2.029   1.951
  332   3HB   ALA  43           HB1      ALA  43  -3.659   1.904   1.225
  333    H    VAL  44           HN       VAL  44  -1.450   5.084   2.881
  334    HA   VAL  44           HA       VAL  44   0.787   5.809   1.021
  335    HB   VAL  44           HB       VAL  44  -0.581   7.572   2.185
  336   1HG1  VAL  44          HG11      VAL  44  -0.480   5.924   4.334
  337   2HG1  VAL  44          HG13      VAL  44   0.832   7.033   4.735
  338   3HG1  VAL  44          HG12      VAL  44  -0.795   7.655   4.456
  339   1HG2  VAL  44          HG22      VAL  44   2.361   7.247   2.361
  340   2HG2  VAL  44          HG21      VAL  44   1.415   8.557   1.655
  341   3HG2  VAL  44          HG23      VAL  44   1.675   8.498   3.398
  342    H    VAL  45           HN       VAL  45   2.378   4.281   1.193
  343    HA   VAL  45           HA       VAL  45   3.015   3.180   3.893
  344    HB   VAL  45           HB       VAL  45   3.398   2.255   1.046
  345   1HG1  VAL  45          HG12      VAL  45   4.581   1.240   3.619
  346   2HG1  VAL  45          HG11      VAL  45   4.220   0.120   2.308
  347   3HG1  VAL  45          HG13      VAL  45   5.357   1.443   2.050
  348   1HG2  VAL  45          HG23      VAL  45   1.622   1.575   3.349
  349   2HG2  VAL  45          HG22      VAL  45   1.246   1.660   1.627
  350   3HG2  VAL  45          HG21      VAL  45   2.127   0.280   2.270
  351    H    THR  46           HN       THR  46   5.199   2.813   4.416
  352    HA   THR  46           HA       THR  46   7.254   4.504   3.049
  353    HB   THR  46           HB       THR  46   6.462   4.077   5.925
  354    HG1  THR  46           HG1      THR  46   6.585   6.267   5.952
  355   1HG2  THR  46          HG22      THR  46   9.229   4.334   4.863
  356   2HG2  THR  46          HG21      THR  46   8.824   5.318   6.270
  357   3HG2  THR  46          HG23      THR  46   8.657   3.564   6.343
  358    H    PHE  47           HN       PHE  47   9.397   3.351   2.957
  359    HA   PHE  47           HA       PHE  47   9.613   0.768   4.255
  360   1HB   PHE  47           HB2      PHE  47   9.368  -0.596   2.228
  361   2HB   PHE  47           HB1      PHE  47   7.894   0.316   2.553
  362    HD1  PHE  47           HD2      PHE  47  11.035   0.325   0.495
  363    HD2  PHE  47           HD1      PHE  47   7.068   1.901   1.032
  364    HE1  PHE  47           HE2      PHE  47  11.161   1.383  -1.729
  365    HE2  PHE  47           HE1      PHE  47   7.190   2.957  -1.205
  366    HZ   PHE  47           HZ       PHE  47   9.222   2.696  -2.587
  367    H    ASP  48           HN       ASP  48  11.295  -0.620   2.969
  368    HA   ASP  48           HA       ASP  48  13.606   1.181   2.450
  369   1HB   ASP  48           HB2      ASP  48  13.281  -0.895   4.204
  370   2HB   ASP  48           HB1      ASP  48  13.980  -1.736   2.819
  371    H    ASP  49           HN       ASP  49  13.889   1.476   0.307
  372    HA   ASP  49           HA       ASP  49  12.672  -0.098  -1.730
  373   1HB   ASP  49           HB2      ASP  49  13.564   2.282  -1.764
  374   2HB   ASP  49           HB1      ASP  49  15.172   1.584  -1.968
  375    H    THR  50           HN       THR  50  15.303  -0.913   0.223
  376    HA   THR  50           HA       THR  50  16.819  -2.426  -1.786
  377    HB   THR  50           HB       THR  50  18.161  -3.034   0.196
  378    HG1  THR  50           HG1      THR  50  17.425  -2.683   2.179
  379   1HG2  THR  50          HG21      THR  50  18.006  -0.608  -0.928
  380   2HG2  THR  50          HG23      THR  50  17.495  -0.176   0.704
  381   3HG2  THR  50          HG22      THR  50  19.065  -0.936   0.444
  382    H    LYS  51           HN       LYS  51  14.229  -3.078   0.512
  383    HA   LYS  51           HA       LYS  51  14.453  -5.995  -0.150
  384   1HB   LYS  51           HB2      LYS  51  13.440  -4.485   2.267
  385   2HB   LYS  51           HB1      LYS  51  13.151  -6.209   2.038
  386   1HG   LYS  51           HG2      LYS  51  15.945  -5.505   1.580
  387   2HG   LYS  51           HG1      LYS  51  15.412  -5.071   3.205
  388   1HD   LYS  51           HD2      LYS  51  14.578  -7.744   2.188
  389   2HD   LYS  51           HD1      LYS  51  16.282  -7.542   2.599
  390   1HE   LYS  51           HE2      LYS  51  15.837  -7.498   4.830
  391   2HE   LYS  51           HE1      LYS  51  14.467  -6.390   4.609
  392   1HZ   LYS  51           HZ2      LYS  51  14.123  -9.056   3.514
  393   2HZ   LYS  51           HZ1      LYS  51  14.174  -8.975   5.211
  394   3HZ   LYS  51           HZ3      LYS  51  13.018  -8.077   4.354
  395    H    ALA  52           HN       ALA  52  12.612  -3.225  -0.698
  396    HA   ALA  52           HA       ALA  52  10.585  -4.582  -2.197
  397   1HB   ALA  52           HB2      ALA  52  10.077  -3.946   0.701
  398   2HB   ALA  52           HB1      ALA  52   8.737  -3.939  -0.445
  399   3HB   ALA  52           HB3      ALA  52   9.676  -5.410  -0.196
  400    H    SER  53           HN       SER  53   8.576  -2.916  -2.431
  401    HA   SER  53           HA       SER  53   8.871  -0.160  -1.898
  402   1HB   SER  53           HB2      SER  53   9.742   0.373  -4.339
  403   2HB   SER  53           HB1      SER  53  10.889  -0.018  -3.061
  404    HG   SER  53           HG       SER  53  10.987  -1.203  -5.181
  405    H    VAL  54           HN       VAL  54   7.832   1.124  -4.007
  406    HA   VAL  54           HA       VAL  54   5.151   0.686  -4.163
  407    HB   VAL  54           HB       VAL  54   7.182   1.544  -6.215
  408   1HG1  VAL  54          HG13      VAL  54   4.176   1.384  -6.556
  409   2HG1  VAL  54          HG12      VAL  54   5.212   2.406  -7.551
  410   3HG1  VAL  54          HG11      VAL  54   5.410   0.655  -7.582
  411   1HG2  VAL  54          HG21      VAL  54   5.152   2.854  -4.408
  412   2HG2  VAL  54          HG23      VAL  54   6.886   3.155  -4.516
  413   3HG2  VAL  54          HG22      VAL  54   5.813   3.714  -5.799
  414    H    GLN  55           HN       GLN  55   7.567  -1.121  -6.054
  415    HA   GLN  55           HA       GLN  55   5.850  -2.560  -7.773
  416   1HB   GLN  55           HB2      GLN  55   8.302  -2.528  -7.893
  417   2HB   GLN  55           HB1      GLN  55   8.405  -3.388  -6.357
  418   1HG   GLN  55           HG2      GLN  55   8.451  -5.272  -7.613
  419   2HG   GLN  55           HG1      GLN  55   6.721  -5.005  -7.832
  420   1HE2  GLN  55          HE22      GLN  55   7.074  -3.773 -11.180
  421   2HE2  GLN  55          HE21      GLN  55   6.073  -3.729  -9.810
  422    H    LYS  56           HN       LYS  56   7.049  -3.565  -4.542
  423    HA   LYS  56           HA       LYS  56   5.247  -5.869  -4.491
  424   1HB   LYS  56           HB2      LYS  56   7.103  -4.617  -2.446
  425   2HB   LYS  56           HB1      LYS  56   6.325  -6.191  -2.269
  426   1HG   LYS  56           HG2      LYS  56   8.151  -5.445  -4.570
  427   2HG   LYS  56           HG1      LYS  56   8.670  -6.345  -3.144
  428   1HD   LYS  56           HD2      LYS  56   6.951  -8.076  -3.647
  429   2HD   LYS  56           HD1      LYS  56   6.527  -7.195  -5.115
  430   1HE   LYS  56           HE2      LYS  56   8.141  -8.414  -6.156
  431   2HE   LYS  56           HE1      LYS  56   9.321  -7.456  -5.238
  432   1HZ   LYS  56           HZ2      LYS  56   7.928  -9.695  -3.930
  433   2HZ   LYS  56           HZ1      LYS  56   9.258 -10.022  -4.935
  434   3HZ   LYS  56           HZ3      LYS  56   9.449  -9.024  -3.577
  435    H    LEU  57           HN       LEU  57   4.976  -2.534  -3.438
  436    HA   LEU  57           HA       LEU  57   3.062  -3.077  -1.306
  437   1HB   LEU  57           HB2      LEU  57   3.477  -0.561  -2.956
  438   2HB   LEU  57           HB1      LEU  57   2.775  -0.664  -1.344
  439    HG   LEU  57           HG       LEU  57   5.614  -1.492  -1.987
  440   1HD1  LEU  57          HD11      LEU  57   4.386   1.134  -1.513
  441   2HD1  LEU  57          HD13      LEU  57   5.721   0.777  -0.417
  442   3HD1  LEU  57          HD12      LEU  57   5.978   0.740  -2.161
  443   1HD2  LEU  57          HD23      LEU  57   4.359  -2.439   0.060
  444   2HD2  LEU  57          HD22      LEU  57   5.903  -1.646   0.375
  445   3HD2  LEU  57          HD21      LEU  57   4.393  -0.793   0.691
  446    H    THR  58           HN       THR  58   2.775  -1.777  -4.628
  447    HA   THR  58           HA       THR  58  -0.072  -1.827  -4.777
  448    HB   THR  58           HB       THR  58   2.203  -2.006  -6.762
  449    HG1  THR  58           HG1      THR  58   1.180   0.089  -7.271
  450   1HG2  THR  58          HG23      THR  58   0.253  -3.220  -7.696
  451   2HG2  THR  58          HG22      THR  58  -0.751  -1.800  -7.405
  452   3HG2  THR  58          HG21      THR  58   0.573  -1.721  -8.567
  453    H    LYS  59           HN       LYS  59   2.394  -4.314  -5.381
  454    HA   LYS  59           HA       LYS  59   0.561  -6.251  -6.460
  455   1HB   LYS  59           HB2      LYS  59   3.339  -5.900  -6.067
  456   2HB   LYS  59           HB1      LYS  59   2.905  -7.390  -5.230
  457   1HG   LYS  59           HG2      LYS  59   1.476  -7.509  -7.628
  458   2HG   LYS  59           HG1      LYS  59   3.052  -6.866  -8.090
  459   1HD   LYS  59           HD2      LYS  59   4.199  -8.751  -7.296
  460   2HD   LYS  59           HD1      LYS  59   2.867  -9.238  -6.247
  461   1HE   LYS  59           HE2      LYS  59   1.526  -9.515  -8.481
  462   2HE   LYS  59           HE1      LYS  59   3.135  -9.579  -9.228
  463   1HZ   LYS  59           HZ1      LYS  59   2.352 -11.192  -6.863
  464   2HZ   LYS  59           HZ3      LYS  59   2.290 -11.777  -8.453
  465   3HZ   LYS  59           HZ2      LYS  59   3.780 -11.327  -7.772
  466    H    ALA  60           HN       ALA  60   1.629  -5.392  -3.204
  467    HA   ALA  60           HA       ALA  60   0.709  -7.802  -1.943
  468   1HB   ALA  60           HB3      ALA  60   1.397  -4.998  -1.085
  469   2HB   ALA  60           HB2      ALA  60   0.790  -6.176   0.078
  470   3HB   ALA  60           HB1      ALA  60   2.293  -6.488  -0.786
  471    H    THR  61           HN       THR  61  -0.752  -4.585  -2.454
  472    HA   THR  61           HA       THR  61  -3.247  -5.284  -1.145
  473    HB   THR  61           HB       THR  61  -2.511  -2.971  -1.318
  474    HG1  THR  61           HG1      THR  61  -4.793  -3.501  -1.636
  475   1HG2  THR  61          HG21      THR  61  -2.288  -3.677  -4.230
  476   2HG2  THR  61          HG23      THR  61  -2.526  -1.999  -3.745
  477   3HG2  THR  61          HG22      THR  61  -1.107  -2.885  -3.188
  478    H    ALA  62           HN       ALA  62  -1.877  -5.502  -4.315
  479    HA   ALA  62           HA       ALA  62  -4.302  -6.036  -5.785
  480   1HB   ALA  62           HB1      ALA  62  -1.357  -6.150  -6.148
  481   2HB   ALA  62           HB3      ALA  62  -2.290  -7.211  -7.204
  482   3HB   ALA  62           HB2      ALA  62  -2.589  -5.473  -7.213
  483    H    ASP  63           HN       ASP  63  -2.026  -7.956  -3.910
  484    HA   ASP  63           HA       ASP  63  -3.288 -10.500  -4.740
  485   1HB   ASP  63           HB2      ASP  63  -0.822  -9.548  -3.449
  486   2HB   ASP  63           HB1      ASP  63  -1.484 -10.993  -2.685
  487    H    ALA  64           HN       ALA  64  -3.737  -8.063  -2.416
  488    HA   ALA  64           HA       ALA  64  -4.754  -9.778  -0.264
  489   1HB   ALA  64           HB2      ALA  64  -3.749  -7.226  -0.491
  490   2HB   ALA  64           HB1      ALA  64  -5.481  -6.916  -0.379
  491   3HB   ALA  64           HB3      ALA  64  -4.661  -7.811   0.900
  492    H    GLY  65           HN       GLY  65  -5.967  -8.013  -3.043
  493   1HA   GLY  65           HA2      GLY  65  -8.157  -9.280  -3.775
  494   2HA   GLY  65           HA1      GLY  65  -8.758  -8.645  -2.249
  495    H    TYR  66           HN       TYR  66  -6.548  -6.637  -4.137
  496    HA   TYR  66           HA       TYR  66  -8.876  -5.162  -5.270
  497   1HB   TYR  66           HB2      TYR  66  -6.737  -3.933  -3.514
  498   2HB   TYR  66           HB1      TYR  66  -8.118  -3.097  -4.215
  499    HD1  TYR  66           HD1      TYR  66 -10.455  -4.194  -3.663
  500    HD2  TYR  66           HD2      TYR  66  -6.865  -4.674  -1.382
  501    HE1  TYR  66           HE1      TYR  66 -11.806  -4.735  -1.668
  502    HE2  TYR  66           HE2      TYR  66  -8.201  -5.209   0.618
  503    HH   TYR  66           HH       TYR  66 -10.482  -6.119   1.125
  504    HA   PRO  67           HA       PRO  67  -5.687  -5.121  -8.518
  505   1HB   PRO  67           HB2      PRO  67  -7.576  -3.497 -10.009
  506   2HB   PRO  67           HB1      PRO  67  -7.087  -5.165 -10.327
  507   1HG   PRO  67           HG2      PRO  67  -9.601  -4.258  -9.315
  508   2HG   PRO  67           HG1      PRO  67  -9.076  -5.928  -9.552
  509   1HD   PRO  67           HD2      PRO  67  -9.464  -4.532  -7.052
  510   2HD   PRO  67           HD1      PRO  67  -8.933  -6.215  -7.293
  511    H    SER  68           HN       SER  68  -4.385  -3.666  -7.191
  512    HA   SER  68           HA       SER  68  -5.203  -0.804  -7.241
  513   1HB   SER  68           HB2      SER  68  -3.277  -2.391  -5.531
  514   2HB   SER  68           HB1      SER  68  -3.653  -0.686  -5.298
  515    HG   SER  68           HG       SER  68  -4.942  -2.720  -4.323
  516    H    SER  69           HN       SER  69  -2.934   0.505  -6.774
  517    HA   SER  69           HA       SER  69  -0.757  -0.216  -8.607
  518   1HB   SER  69           HB2      SER  69  -2.948   1.738  -9.207
  519   2HB   SER  69           HB1      SER  69  -1.317   2.143  -9.731
  520    HG   SER  69           HG       SER  69  -3.002   0.046 -10.510
  521    H    VAL  70           HN       VAL  70   0.266   2.416  -8.816
  522    HA   VAL  70           HA       VAL  70   0.433   3.327  -5.987
  523    HB   VAL  70           HB       VAL  70   2.136   1.608  -6.843
  524   1HG1  VAL  70          HG13      VAL  70   2.383   3.414  -8.909
  525   2HG1  VAL  70          HG12      VAL  70   3.786   3.799  -7.912
  526   3HG1  VAL  70          HG11      VAL  70   3.561   2.160  -8.523
  527   1HG2  VAL  70          HG22      VAL  70   2.381   3.894  -5.128
  528   2HG2  VAL  70          HG21      VAL  70   3.212   2.344  -4.999
  529   3HG2  VAL  70          HG23      VAL  70   3.924   3.651  -5.946
  530    H    LYS  71           HN       LYS  71   1.391   5.525  -5.781
  531    HA   LYS  71           HA       LYS  71   1.077   7.086  -8.332
  532   1HB   LYS  71           HB2      LYS  71   0.591   8.331  -5.661
  533   2HB   LYS  71           HB1      LYS  71  -0.194   8.663  -7.200
  534   1HG   LYS  71           HG2      LYS  71  -0.929   6.061  -6.781
  535   2HG   LYS  71           HG1      LYS  71  -0.893   6.687  -5.130
  536   1HD   LYS  71           HD2      LYS  71  -2.329   8.559  -5.798
  537   2HD   LYS  71           HD1      LYS  71  -2.349   7.959  -7.456
  538   1HE   LYS  71           HE2      LYS  71  -3.114   5.735  -5.951
  539   2HE   LYS  71           HE1      LYS  71  -3.959   7.091  -5.177
  540   1HZ   LYS  71           HZ3      LYS  71  -3.859   6.675  -8.115
  541   2HZ   LYS  71           HZ2      LYS  71  -5.146   6.149  -7.138
  542   3HZ   LYS  71           HZ1      LYS  71  -4.798   7.806  -7.271
  543    H    GLN  72           HN       GLN  72   3.373   5.912  -6.921
  544    HA   GLN  72           HA       GLN  72   5.144   7.504  -5.562
  545   1HB   GLN  72           HB2      GLN  72   5.383   5.221  -6.839
  546   2HB   GLN  72           HB1      GLN  72   6.018   6.224  -8.144
  547   1HG   GLN  72           HG2      GLN  72   7.715   7.153  -6.627
  548   2HG   GLN  72           HG1      GLN  72   7.072   6.185  -5.300
  549   1HE2  GLN  72          HE22      GLN  72   9.102   4.252  -8.318
  550   2HE2  GLN  72          HE21      GLN  72   8.328   5.725  -8.656
   
  No H/Q in entry =         550
   
  No H/Q in entry =         550