*HEADER    METAL BINDING PROTEIN                   12-JAN-07   2JNE              
*TITLE     NMR STRUCTURE OF E.COLI YFGJ MODELLED WITH TWO ZN+2 BOUND.            
*TITLE    2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER317.               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HYPOTHETICAL PROTEIN YFGJ;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES 13-83;                          
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: YFGJ;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET                                        
*KEYWDS    C4, C3H, C7H, ZINC FINGERS, TWO ZINC, STRUCTURAL GENOMICS,            
*KEYWDS   2 PSI-2, PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL            
*KEYWDS   3 GENOMICS CONSORTIUM, NESG                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    T.A.RAMELOT, J.R.CORT, A.A.YEE, A.SEMESI, L.JOHNATHAN,                
*AUTHOR   2 C.H.ARROWSMITH, M.A.KENNEDY, NORTHEAST STRUCTURAL GENOMICS           
*AUTHOR   3 CONSORTIUM (NESG)                                                    
*REVDAT   1   13-FEB-07 2JNE    0                                                


remarks, cns zn restraints
assign (resid 150 and name "ZN+2" )(resid 5 and name SG ) 2.2 0.0 0.2  
assign (resid 150 and name "ZN+2" )(resid 8 and name SG ) 2.2 0.0 0.2  
assign (resid 150 and name "ZN+2" )(resid 21 and name SG ) 2.2 0.0 0.2  
assign (resid 150 and name "ZN+2" )(resid 24 and name SG ) 2.2 0.0 0.2  
assign (resid 5 and name SG )(resid 8 and name SG ) 3.6 0.0 0.4  
assign (resid 5 and name SG )(resid 21 and name SG ) 3.6 0.0 0.4  
assign (resid 5 and name SG )(resid 24 and name SG ) 3.6 0.0 0.4  
assign (resid 8 and name SG )(resid 21 and name SG ) 3.6 0.0 0.4  
assign (resid 8 and name SG )(resid 24 and name SG ) 3.6 0.0 0.4  
assign (resid 21 and name SG )(resid 24 and name SG ) 3.6 0.0 0.4  
assign (resid 200 and name "ZN+2" )(resid 34 and name SG ) 2.2 0.0 0.2  
assign (resid 200 and name "ZN+2" )(resid 37 and name SG ) 2.2 0.0 0.2  
assign (resid 200 and name "ZN+2" )(resid 54 and name SG ) 2.2 0.0 0.2  
assign (resid 200 and name "ZN+2" )(resid 58 and name ND1 ) 2.0 0.0 0.2  
assign (resid 34 and name SG )(resid 37 and name SG ) 3.6 0.0 0.6  
assign (resid 34 and name SG )(resid 54 and name SG ) 3.6 0.0 0.6  
assign (resid 34 and name SG )(resid 58 and name ND1 ) 3.1 0.0 0.9  
assign (resid 37 and name SG )(resid 54 and name SG ) 3.6 0.0 0.6  
assign (resid 37 and name SG )(resid 58 and name ND1 ) 3.1 0.0 0.9  
assign (resid 54 and name SG )(resid 58 and name ND1 ) 3.1 0.0 0.9  
assign (resid 150 and name "ZN+2" )(resid 26 and name OE1 ) 1.99 0.0 20.0  
assign (resid 150 and name "ZN+2" )(resid 26 and name OE2 ) 1.99 0.0 20.0  
assign (resid 200 and name "ZN+2" )(resid 36 and name OD1 ) 1.99 0.0 20.0  
assign (resid 200 and name "ZN+2" )(resid 36 and name OD2 ) 1.99 0.0 20.0  

remarks xplor hbond restraints             
assign (resid 31 and name HN )(resid 69 and name O ) 1.8 0.0 0.5  
assign (resid 31 and name N )(resid 69 and name O ) 2.7 0.0 0.6  
assign (resid 33 and name HN )(resid 67 and name O ) 1.8 0.0 0.5  
assign (resid 33 and name N )(resid 67 and name O ) 2.7 0.0 0.6  
assign (resid 34 and name HN )(resid 39 and name O ) 1.8 0.0 0.5  
assign (resid 34 and name N )(resid 39 and name O ) 2.7 0.0 0.6  
assign (resid 44 and name HN )(resid 51 and name O ) 1.8 0.0 0.5  
assign (resid 44 and name N )(resid 51 and name O ) 2.7 0.0 0.6  
assign (resid 51 and name HN )(resid 44 and name O ) 1.8 0.0 0.5  
assign (resid 51 and name N )(resid 44 and name O ) 2.7 0.0 0.6  
assign (resid 53 and name HN )(resid 42 and name O ) 1.8 0.0 0.5  
assign (resid 53 and name N )(resid 42 and name O ) 2.7 0.0 0.6  
assign (resid 54 and name HN )(resid 59 and name O ) 1.8 0.0 0.5  
assign (resid 54 and name N )(resid 59 and name O ) 2.7 0.0 0.6  
assign (resid 67 and name HN )(resid 33 and name O ) 1.8 0.0 0.5  
assign (resid 67 and name N )(resid 33 and name O ) 2.7 0.0 0.6  
assign (resid 69 and name HN )(resid 31 and name O ) 1.8 0.0 0.5  
assign (resid 69 and name N )(resid 31 and name O ) 2.7 0.0 0.6  

remarks xplor dihedral angle restraints             

! PHI for LEU 3
assign (resid  2   and name C   )  (resid  3  and name N   )
       (resid  3   and name CA  )  (resid  3  and name C   )  1.0 -102.68 30 2

! PSI for LEU 3
assign (resid  3   and name N   )  (resid  3  and name CA  )
       (resid  3   and name C   )  (resid  4  and name N   )  1.0 135.4 40 2

! PHI for HIS 4
assign (resid  3   and name C   )  (resid  4  and name N   )
       (resid  4   and name CA  )  (resid  4  and name C   )  1.0 -106.1 30 2

! PSI for HIS 4
assign (resid  4   and name N   )  (resid  4  and name CA  )
       (resid  4   and name C   )  (resid  5  and name N   )  1.0 122.61 40 2

! PHI for CYS 5
assign (resid  4   and name C   )  (resid  5  and name N   )
       (resid  5   and name CA  )  (resid  5  and name C   )  1.0 -104.58 30 2

! PSI for CYS 5
assign (resid  5   and name N   )  (resid  5  and name CA  )
       (resid  5   and name C   )  (resid  6  and name N   )  1.0 136.24 40 2

! PHI for GLN 14
assign (resid  13   and name C   )  (resid  14  and name N   )
       (resid  14   and name CA  )  (resid  14  and name C   )  1.0 -102.54 30 2

! PSI for GLN 14
assign (resid  14   and name N   )  (resid  14  and name CA  )
       (resid  14   and name C   )  (resid  15  and name N   )  1.0 135.64 40 2

! PHI for HIS 18
assign (resid  17   and name C   )  (resid  18  and name N   )
       (resid  18   and name CA  )  (resid  18  and name C   )  1.0 -107.03 30 2

! PSI for HIS 18
assign (resid  18   and name N   )  (resid  18  and name CA  )
       (resid  18   and name C   )  (resid  19  and name N   )  1.0 149.44 40 2

! PHI for ALA 19
assign (resid  18   and name C   )  (resid  19  and name N   )
       (resid  19   and name CA  )  (resid  19  and name C   )  1.0 -122.06 30 2

! PSI for ALA 19
assign (resid  19   and name N   )  (resid  19  and name CA  )
       (resid  19   and name C   )  (resid  20  and name N   )  1.0 130.45 40 2

! PHI for ARG 20
assign (resid  19   and name C   )  (resid  20  and name N   )
       (resid  20   and name CA  )  (resid  20  and name C   )  1.0 -121.18 30 2

! PSI for ARG 20
assign (resid  20   and name N   )  (resid  20  and name CA  )
       (resid  20   and name C   )  (resid  21  and name N   )  1.0 134.59 40 2

! PHI for CYS 21
assign (resid  20   and name C   )  (resid  21  and name N   )
       (resid  21   and name CA  )  (resid  21  and name C   )  1.0 -91.19 30 2

! PSI for CYS 21
assign (resid  21   and name N   )  (resid  21  and name CA  )
       (resid  21   and name C   )  (resid  22  and name N   )  1.0 130.15 40 2

! PHI for CYS 24
assign (resid  23   and name C   )  (resid  24  and name N   )
       (resid  24   and name CA  )  (resid  24  and name C   )  1.0 -63.79 30 2

! PSI for CYS 24
assign (resid  24   and name N   )  (resid  24  and name CA  )
       (resid  24   and name C   )  (resid  25  and name N   )  1.0 -36.04 40 2

! PHI for GLU 26
assign (resid  25   and name C   )  (resid  26  and name N   )
       (resid  26   and name CA  )  (resid  26  and name C   )  1.0 -73.42 30 2

! PSI for GLU 26
assign (resid  26   and name N   )  (resid  26  and name CA  )
       (resid  26   and name C   )  (resid  27  and name N   )  1.0 135.57 40 2

! PHI for PHE 27
assign (resid  26   and name C   )  (resid  27  and name N   )
       (resid  27   and name CA  )  (resid  27  and name C   )  1.0 -112.32 30 2

! PSI for PHE 27
assign (resid  27   and name N   )  (resid  27  and name CA  )
       (resid  27   and name C   )  (resid  28  and name N   )  1.0 133.23 40 2

! PHI for ILE 28
assign (resid  27   and name C   )  (resid  28  and name N   )
       (resid  28   and name CA  )  (resid  28  and name C   )  1.0 -127.14 30 2

! PSI for ILE 28
assign (resid  28   and name N   )  (resid  28  and name CA  )
       (resid  28   and name C   )  (resid  29  and name N   )  1.0 134.22 40 2

! PHI for GLU 29
assign (resid  28   and name C   )  (resid  29  and name N   )
       (resid  29   and name CA  )  (resid  29  and name C   )  1.0 -101.55 30 2

! PSI for GLU 29
assign (resid  29   and name N   )  (resid  29  and name CA  )
       (resid  29   and name C   )  (resid  30  and name N   )  1.0 131.54 40 2

! PHI for MET 30
assign (resid  29   and name C   )  (resid  30  and name N   )
       (resid  30   and name CA  )  (resid  30  and name C   )  1.0 -106.44 30 2

! PSI for MET 30
assign (resid  30   and name N   )  (resid  30  and name CA  )
       (resid  30   and name C   )  (resid  31  and name N   )  1.0 132.83 40 2

! PHI for LYS 31
assign (resid  30   and name C   )  (resid  31  and name N   )
       (resid  31   and name CA  )  (resid  31  and name C   )  1.0 -104.43 30 2

! PSI for LYS 31
assign (resid  31   and name N   )  (resid  31  and name CA  )
       (resid  31   and name C   )  (resid  32  and name N   )  1.0 124.93 40 2

! PHI for ALA 32
assign (resid  31   and name C   )  (resid  32  and name N   )
       (resid  32   and name CA  )  (resid  32  and name C   )  1.0 -99.03 30 2

! PSI for ALA 32
assign (resid  32   and name N   )  (resid  32  and name CA  )
       (resid  32   and name C   )  (resid  33  and name N   )  1.0 118.84 40 2

! PHI for LEU 33
assign (resid  32   and name C   )  (resid  33  and name N   )
       (resid  33   and name CA  )  (resid  33  and name C   )  1.0 -101.35 30 2

! PSI for LEU 33
assign (resid  33   and name N   )  (resid  33  and name CA  )
       (resid  33   and name C   )  (resid  34  and name N   )  1.0 129.09 40 2

! PHI for CYS 34
assign (resid  33   and name C   )  (resid  34  and name N   )
       (resid  34   and name CA  )  (resid  34  and name C   )  1.0 -106.61 30 2

! PSI for CYS 34
assign (resid  34   and name N   )  (resid  34  and name CA  )
       (resid  34   and name C   )  (resid  35  and name N   )  1.0 124.59 40 2

! PSI for PRO 40
!assign (resid  40   and name N   )  (resid  40  and name CA  )
!       (resid  40   and name C   )  (resid  41  and name N   )  1.0 150.5 40 2

! PHI for VAL 43
assign (resid  42   and name C   )  (resid  43  and name N   )
       (resid  43   and name CA  )  (resid  43  and name C   )  1.0 -104.11 30 2

! PSI for VAL 43
assign (resid  43   and name N   )  (resid  43  and name CA  )
       (resid  43   and name C   )  (resid  44  and name N   )  1.0 125.42 40 2

! PHI for LEU 44
assign (resid  43   and name C   )  (resid  44  and name N   )
       (resid  44   and name CA  )  (resid  44  and name C   )  1.0 -101.3 30 2

! PSI for LEU 44
assign (resid  44   and name N   )  (resid  44  and name CA  )
       (resid  44   and name C   )  (resid  45  and name N   )  1.0 125.84 40 2

! PHI for LYS 45
assign (resid  44   and name C   )  (resid  45  and name N   )
       (resid  45   and name CA  )  (resid  45  and name C   )  1.0 -98.64 30 2

! PSI for LYS 45
assign (resid  45   and name N   )  (resid  45  and name CA  )
       (resid  45   and name C   )  (resid  46  and name N   )  1.0 126.67 40 2

! PHI for ALA 49
assign (resid  48   and name C   )  (resid  49  and name N   )
       (resid  49   and name CA  )  (resid  49  and name C   )  1.0 -97.08 30 2

! PSI for ALA 49
assign (resid  49   and name N   )  (resid  49  and name CA  )
       (resid  49   and name C   )  (resid  50  and name N   )  1.0 148.17 40 2

! PHI for VAL 50
assign (resid  49   and name C   )  (resid  50  and name N   )
       (resid  50   and name CA  )  (resid  50  and name C   )  1.0 -108.55 30 2

! PSI for VAL 50
assign (resid  50   and name N   )  (resid  50  and name CA  )
       (resid  50   and name C   )  (resid  51  and name N   )  1.0 132.27 40 2

! PHI for ASP 51
assign (resid  50   and name C   )  (resid  51  and name N   )
       (resid  51   and name CA  )  (resid  51  and name C   )  1.0 -131.19 30 2

! PSI for ASP 51
assign (resid  51   and name N   )  (resid  51  and name CA  )
       (resid  51   and name C   )  (resid  52  and name N   )  1.0 151.65 40 2

! PHI for TYR 52
assign (resid  51   and name C   )  (resid  52  and name N   )
       (resid  52   and name CA  )  (resid  52  and name C   )  1.0 -105.23 30 2

! PSI for TYR 52
assign (resid  52   and name N   )  (resid  52  and name CA  )
       (resid  52   and name C   )  (resid  53  and name N   )  1.0 136.4 40 2

! PHI for PHE 53
assign (resid  52   and name C   )  (resid  53  and name N   )
       (resid  53   and name CA  )  (resid  53  and name C   )  1.0 -130.86 30 2

! PSI for PHE 53
assign (resid  53   and name N   )  (resid  53  and name CA  )
       (resid  53   and name C   )  (resid  54  and name N   )  1.0 134.95 40 2

! PHI for CYS 54
assign (resid  53   and name C   )  (resid  54  and name N   )
       (resid  54   and name CA  )  (resid  54  and name C   )  1.0 -94.16 30 2

! PSI for CYS 54
assign (resid  54   and name N   )  (resid  54  and name CA  )
       (resid  54   and name C   )  (resid  55  and name N   )  1.0 129.21 40 2

! PHI for GLN 55
assign (resid  54   and name C   )  (resid  55  and name N   )
       (resid  55   and name CA  )  (resid  55  and name C   )  1.0 -90.63 30 2

! PSI for GLN 55
assign (resid  55   and name N   )  (resid  55  and name CA  )
       (resid  55   and name C   )  (resid  56  and name N   )  1.0 134.93 40 2

! PHI for GLY 59
!assign (resid  58   and name C   )  (resid  59  and name N   )
!       (resid  59   and name CA  )  (resid  59  and name C   )  1.0 -155.67 30 2

! PSI for GLY 59
!assign (resid  59   and name N   )  (resid  59  and name CA  )
!       (resid  59   and name C   )  (resid  60  and name N   )  1.0 -7.93 40 2

! PHI for LEU 60
assign (resid  59   and name C   )  (resid  60  and name N   )
       (resid  60   and name CA  )  (resid  60  and name C   )  1.0 -93.95 30 2

! PSI for LEU 60
assign (resid  60   and name N   )  (resid  60  and name CA  )
       (resid  60   and name C   )  (resid  61  and name N   )  1.0 131.25 40 2

! PHI for ILE 61
assign (resid  60   and name C   )  (resid  61  and name N   )
       (resid  61   and name CA  )  (resid  61  and name C   )  1.0 -96.85 30 2

! PSI for ILE 61
assign (resid  61   and name N   )  (resid  61  and name CA  )
       (resid  61   and name C   )  (resid  62  and name N   )  1.0 127.18 40 2

! PHI for LYS 63
assign (resid  62   and name C   )  (resid  63  and name N   )
       (resid  63   and name CA  )  (resid  63  and name C   )  1.0 -61.3 30 2

! PSI for LYS 63
assign (resid  63   and name N   )  (resid  63  and name CA  )
       (resid  63   and name C   )  (resid  64  and name N   )  1.0 -34.32 40 2

! PHI for LYS 64
assign (resid  63   and name C   )  (resid  64  and name N   )
       (resid  64   and name CA  )  (resid  64  and name C   )  1.0 -70.86 30 2

! PSI for LYS 64
assign (resid  64   and name N   )  (resid  64  and name CA  )
       (resid  64   and name C   )  (resid  65  and name N   )  1.0 -32.31 40 2

! PHI for ARG 65
assign (resid  64   and name C   )  (resid  65  and name N   )
       (resid  65   and name CA  )  (resid  65  and name C   )  1.0 -93.92 30 2

! PSI for ARG 65
assign (resid  65   and name N   )  (resid  65  and name CA  )
       (resid  65   and name C   )  (resid  66  and name N   )  1.0 -7.43 40 2

! PHI for VAL 66
assign (resid  65   and name C   )  (resid  66  and name N   )
       (resid  66   and name CA  )  (resid  66  and name C   )  1.0 -75.46 30 2

! PSI for VAL 66
assign (resid  66   and name N   )  (resid  66  and name CA  )
       (resid  66   and name C   )  (resid  67  and name N   )  1.0 132.46 40 2

! PHI for GLU 67
assign (resid  66   and name C   )  (resid  67  and name N   )
       (resid  67   and name CA  )  (resid  67  and name C   )  1.0 -107.56 30 2

! PSI for GLU 67
assign (resid  67   and name N   )  (resid  67  and name CA  )
       (resid  67   and name C   )  (resid  68  and name N   )  1.0 142.09 40 2

! PHI for PHE 68
assign (resid  67   and name C   )  (resid  68  and name N   )
       (resid  68   and name CA  )  (resid  68  and name C   )  1.0 -102.31 30 2

! PSI for PHE 68
assign (resid  68   and name N   )  (resid  68  and name CA  )
       (resid  68   and name C   )  (resid  69  and name N   )  1.0 136.04 40 2

! PHI for VAL 69
assign (resid  68   and name C   )  (resid  69  and name N   )
       (resid  69   and name CA  )  (resid  69  and name C   )  1.0 -130.81 30 2

! PSI for VAL 69
assign (resid  69   and name N   )  (resid  69  and name CA  )
       (resid  69   and name C   )  (resid  70  and name N   )  1.0 153.87 40 2

! PHI for LEU 70
assign (resid  69   and name C   )  (resid  70  and name N   )
       (resid  70   and name CA  )  (resid  70  and name C   )  1.0 -74.98 30 2

! PSI for LEU 70
assign (resid  70   and name N   )  (resid  70  and name CA  )
       (resid  70   and name C   )  (resid  71  and name N   )  1.0 132.7 40 2

! PHI for ALA 71
!assign (resid  70   and name C   )  (resid  71  and name N   )
!       (resid  71   and name CA  )  (resid  71  and name C   )  1.0 -155.67 30 2

! PSI for ALA 71
!assign (resid  71   and name N   )  (resid  71  and name CA  )
!       (resid  71   and name C   )  (resid  72  and name N   )  1.0 -7.93 40 2

remarks xplor NOE restraints             
assign (resid 2 and name HA )(resid 3 and name HN ) 1.8 0.0 1.1  
assign (resid 2 and name HG# )(resid 3 and name HN ) 1.8 0.0 3.2  
assign (resid 3 and name HA )(resid 4 and name HN ) 1.8 0.0 1.1  
assign (resid 3 and name HB1 )(resid 12 and name HD1# ) 1.8 0.0 3.2  
assign (resid 3 and name HB2 )(resid 12 and name HD1# ) 1.8 0.0 3.2  
assign (resid 3 and name HB# )(resid 12 and name HB# ) 1.8 0.0 3.2  
assign (resid 3 and name HB# )(resid 14 and name HE21 ) 1.8 0.0 3.2  
assign (resid 3 and name HB# )(resid 14 and name HE22 ) 1.8 0.0 3.2  
assign (resid 3 and name HD2# )(resid 4 and name HN ) 1.8 0.0 3.2  
assign (resid 4 and name HA )(resid 11 and name HA ) 1.8 0.0 3.2  
assign (resid 4 and name HA )(resid 12 and name HG ) 1.8 0.0 3.2  
assign (resid 4 and name HA )(resid 12 and name HN ) 1.8 0.0 3.2  
assign (resid 4 and name HA )(resid 5 and name HN ) 1.8 0.0 1.7  
assign (resid 4 and name HB1 )(resid 9 and name HA ) 1.8 0.0 3.2  
assign (resid 4 and name HB2 )(resid 9 and name HA ) 1.8 0.0 3.2  
assign (resid 4 and name HD2 )(resid 11 and name HA ) 1.8 0.0 3.2  
assign (resid 4 and name HD2 )(resid 11 and name HG2# ) 1.8 0.0 3.2  
assign (resid 5 and name HA )(resid 12 and name HD1# ) 1.8 0.0 3.2  
assign (resid 5 and name HA )(resid 12 and name HD2# ) 1.8 0.0 3.2  
assign (resid 5 and name HA )(resid 6 and name HD1 ) 1.8 0.0 3.2  
assign (resid 5 and name HA )(resid 6 and name HD2 ) 1.8 0.0 3.2  
assign (resid 5 and name HA )(resid 7 and name HN ) 1.8 0.0 3.2  
assign (resid 5 and name HB1 )(resid 8 and name HN ) 1.8 0.0 3.2  
assign (resid 5 and name HB1 )(resid 9 and name HN ) 1.8 0.0 3.2  
assign (resid 5 and name HB2 )(resid 8 and name HN ) 1.8 0.0 3.2  
assign (resid 5 and name HB2 )(resid 9 and name HN ) 1.8 0.0 3.2  
assign (resid 5 and name HB# )(resid 10 and name HN ) 1.8 0.0 3.2  
assign (resid 5 and name HB# )(resid 12 and name HD2# ) 1.8 0.0 3.2  
assign (resid 5 and name HB# )(resid 7 and name HN ) 1.8 0.0 3.2  
assign (resid 5 and name HB# )(resid 9 and name HA ) 1.8 0.0 3.2  
assign (resid 5 and name HN )(resid 10 and name HN ) 1.8 0.0 3.2  
assign (resid 5 and name HN )(resid 12 and name HD1# ) 1.8 0.0 3.2  
assign (resid 5 and name HN )(resid 12 and name HD2# ) 1.8 0.0 3.2  
assign (resid 5 and name HN )(resid 12 and name HG ) 1.8 0.0 3.2  
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assign (resid 6 and name HD# )(resid 70 and name HD1# ) 1.8 0.0 3.2  
assign (resid 6 and name HD# )(resid 7 and name HN ) 1.8 0.0 3.2  
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assign (resid 44 and name HD1# )(resid 51 and name HB# ) 1.8 0.0 3.2  
assign (resid 44 and name HD1# )(resid 51 and name HB2 ) 1.8 0.0 3.2  
assign (resid 44 and name HD1# )(resid 53 and name HB1 ) 1.8 0.0 3.2  
assign (resid 44 and name HD1# )(resid 53 and name HB2 ) 1.8 0.0 3.2  
assign (resid 44 and name HD1# )(resid 53 and name HD# ) 1.8 0.0 3.2  
assign (resid 44 and name HD1# )(resid 53 and name HN ) 1.8 0.0 3.2  
assign (resid 44 and name HD1# )(resid 60 and name HD2# ) 1.8 0.0 3.2  
assign (resid 44 and name HD2# )(resid 51 and name HN ) 1.8 0.0 3.2  
assign (resid 44 and name HD2# )(resid 53 and name HB1 ) 1.8 0.0 3.2  
assign (resid 44 and name HD2# )(resid 53 and name HB2 ) 1.8 0.0 3.2  
assign (resid 44 and name HD2# )(resid 53 and name HD# ) 1.8 0.0 3.2  
assign (resid 44 and name HD2# )(resid 53 and name HE# ) 1.8 0.0 3.2  
assign (resid 44 and name HG )(resid 51 and name HB# ) 1.8 0.0 3.2  
assign (resid 44 and name HG )(resid 53 and name HB# ) 1.8 0.0 3.2  
assign (resid 44 and name HN )(resid 51 and name HB# ) 1.8 0.0 3.2  
assign (resid 44 and name HN )(resid 51 and name HN ) 1.8 0.0 2.2  
assign (resid 44 and name HN )(resid 52 and name HA ) 1.8 0.0 3.2  
assign (resid 45 and name HA )(resid 46 and name HN ) 1.8 0.0 1.7  
assign (resid 45 and name HA )(resid 50 and name HA ) 1.8 0.0 2.2  
assign (resid 45 and name HA )(resid 50 and name HG1# ) 1.8 0.0 3.2  
assign (resid 45 and name HA )(resid 50 and name HG2# ) 1.8 0.0 3.2  
assign (resid 45 and name HA )(resid 51 and name HN ) 1.8 0.0 3.2  
assign (resid 45 and name HD# )(resid 50 and name HG2# ) 1.8 0.0 3.2  
assign (resid 45 and name HE# )(resid 50 and name HG2# ) 1.8 0.0 3.2  
assign (resid 45 and name HG1 )(resid 50 and name HG2# ) 1.8 0.0 3.2  
assign (resid 45 and name HG2 )(resid 50 and name HG2# ) 1.8 0.0 3.2  
assign (resid 45 and name HG# )(resid 50 and name HA ) 1.8 0.0 3.2  
assign (resid 46 and name HB# )(resid 50 and name HA ) 1.8 0.0 3.2  
assign (resid 46 and name HN )(resid 49 and name HN ) 1.8 0.0 2.2  
assign (resid 50 and name HA )(resid 51 and name HN ) 1.8 0.0 1.1  
assign (resid 50 and name HG1# )(resid 51 and name HN ) 1.8 0.0 3.2  
assign (resid 50 and name HG1# )(resid 52 and name HD# ) 1.8 0.0 3.2  
assign (resid 50 and name HG1# )(resid 52 and name HE# ) 1.8 0.0 3.2  
assign (resid 50 and name HG2# )(resid 51 and name HN ) 1.8 0.0 3.2  
assign (resid 51 and name HA )(resid 52 and name HN ) 1.8 0.0 1.1  
assign (resid 51 and name HA )(resid 60 and name HD2# ) 1.8 0.0 3.2  
assign (resid 51 and name HB# )(resid 60 and name HD1# ) 1.8 0.0 3.2  
assign (resid 51 and name HB# )(resid 60 and name HD2# ) 1.8 0.0 3.2  
assign (resid 52 and name HA )(resid 53 and name HN ) 1.8 0.0 1.1  
assign (resid 52 and name HB1 )(resid 66 and name HG2# ) 1.8 0.0 3.2  
assign (resid 52 and name HB2 )(resid 66 and name HG2# ) 1.8 0.0 3.2  
assign (resid 52 and name HB# )(resid 61 and name HB ) 1.8 0.0 3.2  
assign (resid 52 and name HB# )(resid 61 and name HN ) 1.8 0.0 3.2  
assign (resid 52 and name HD# )(resid 63 and name HA ) 1.8 0.0 3.2  
assign (resid 52 and name HD# )(resid 63 and name HD# ) 1.8 0.0 3.2  
assign (resid 52 and name HD# )(resid 66 and name HG2# ) 1.8 0.0 3.2  
assign (resid 52 and name HE# )(resid 63 and name HB# ) 1.8 0.0 3.2  
assign (resid 52 and name HE# )(resid 63 and name HD# ) 1.8 0.0 3.2  
assign (resid 52 and name HE# )(resid 63 and name HG# ) 1.8 0.0 3.2  
assign (resid 52 and name HE# )(resid 66 and name HG2# ) 1.8 0.0 3.2  
assign (resid 52 and name HE# )(resid 68 and name HE# ) 1.8 0.0 3.2  
assign (resid 52 and name HN )(resid 60 and name HB# ) 1.8 0.0 3.2  
assign (resid 52 and name HN )(resid 60 and name HD2# ) 1.8 0.0 3.2  
assign (resid 53 and name HA )(resid 54 and name HN ) 1.8 0.0 1.1  
assign (resid 53 and name HA )(resid 60 and name HA ) 1.8 0.0 2.2  
assign (resid 53 and name HA )(resid 60 and name HD2# ) 1.8 0.0 3.2  
assign (resid 53 and name HA )(resid 60 and name HG ) 1.8 0.0 3.2  
assign (resid 53 and name HA )(resid 61 and name HG1# ) 1.8 0.0 3.2  
assign (resid 53 and name HA )(resid 61 and name HN ) 1.8 0.0 3.2  
assign (resid 53 and name HB# )(resid 60 and name HA ) 1.8 0.0 3.2  
assign (resid 53 and name HB# )(resid 60 and name HD2# ) 1.8 0.0 3.2  
assign (resid 53 and name HD# )(resid 55 and name HA ) 1.8 0.0 3.2  
assign (resid 53 and name HD# )(resid 55 and name HG# ) 1.8 0.0 3.2  
assign (resid 53 and name HD# )(resid 60 and name HA ) 1.8 0.0 3.2  
assign (resid 53 and name HD# )(resid 60 and name HB# ) 1.8 0.0 3.2  
assign (resid 53 and name HD# )(resid 60 and name HD2# ) 1.8 0.0 3.2  
assign (resid 53 and name HD# )(resid 60 and name HG ) 1.8 0.0 3.2  
assign (resid 53 and name HD# )(resid 60 and name HN ) 1.8 0.0 3.2  
assign (resid 53 and name HE# )(resid 55 and name HB# ) 1.8 0.0 3.2  
assign (resid 53 and name HE# )(resid 55 and name HG# ) 1.8 0.0 3.2  
assign (resid 53 and name HE# )(resid 55 and name HN ) 1.8 0.0 3.2  
assign (resid 53 and name HE# )(resid 59 and name HA1 ) 1.8 0.0 3.2  
assign (resid 53 and name HE# )(resid 59 and name HA2 ) 1.8 0.0 3.2  
assign (resid 53 and name HE# )(resid 60 and name HD1# ) 1.8 0.0 3.2  
assign (resid 53 and name HE# )(resid 60 and name HG ) 1.8 0.0 3.2  
assign (resid 53 and name HE# )(resid 60 and name HN ) 1.8 0.0 3.2  
assign (resid 54 and name HA )(resid 55 and name HN ) 1.8 0.0 1.1  
assign (resid 54 and name HB1 )(resid 58 and name HB1 ) 1.8 0.0 3.2  
assign (resid 54 and name HB1 )(resid 58 and name HB2 ) 1.8 0.0 3.2  
assign (resid 54 and name HB2 )(resid 58 and name HB1 ) 1.8 0.0 3.2  
assign (resid 54 and name HB2 )(resid 58 and name HB2 ) 1.8 0.0 3.2  
assign (resid 54 and name HB# )(resid 56 and name HN ) 1.8 0.0 3.2  
assign (resid 54 and name HB# )(resid 58 and name HN ) 1.8 0.0 3.2  
assign (resid 54 and name HB# )(resid 59 and name HN ) 1.8 0.0 3.2  
assign (resid 54 and name HB# )(resid 61 and name HD1# ) 1.8 0.0 3.2  
assign (resid 54 and name HN )(resid 59 and name HN ) 1.8 0.0 2.2  
assign (resid 54 and name HN )(resid 60 and name HA ) 1.8 0.0 3.2  
assign (resid 54 and name HN )(resid 61 and name HD1# ) 1.8 0.0 3.2  
assign (resid 54 and name HN )(resid 61 and name HG1# ) 1.8 0.0 3.2  
assign (resid 55 and name HG1 )(resid 56 and name HN ) 1.8 0.0 3.2  
assign (resid 55 and name HG2 )(resid 56 and name HN ) 1.8 0.0 3.2  
assign (resid 56 and name HN )(resid 58 and name HN ) 1.8 0.0 3.2  
assign (resid 57 and name HN )(resid 59 and name HN ) 1.8 0.0 3.2  
assign (resid 58 and name HB1 )(resid 61 and name HD1# ) 1.8 0.0 3.2  
assign (resid 58 and name HB2 )(resid 61 and name HD1# ) 1.8 0.0 3.2  
assign (resid 59 and name HA1 )(resid 60 and name HN ) 1.8 0.0 1.7  
assign (resid 59 and name HA2 )(resid 60 and name HN ) 1.8 0.0 1.7  
assign (resid 60 and name HA )(resid 61 and name HN ) 1.8 0.0 1.1  
assign (resid 60 and name HD2# )(resid 61 and name HN ) 1.8 0.0 3.2  
assign (resid 61 and name HA )(resid 62 and name HN ) 1.8 0.0 1.7  
assign (resid 61 and name HB )(resid 66 and name HG2# ) 1.8 0.0 3.2  
assign (resid 61 and name HG2# )(resid 62 and name HN ) 1.8 0.0 3.2  
assign (resid 61 and name HG2# )(resid 65 and name HB# ) 1.8 0.0 3.2  
assign (resid 61 and name HG2# )(resid 65 and name HN ) 1.8 0.0 3.2  
assign (resid 61 and name HG2# )(resid 66 and name HG1# ) 1.8 0.0 3.2  
assign (resid 61 and name HG2# )(resid 66 and name HG2# ) 1.8 0.0 3.2  
assign (resid 61 and name HG2# )(resid 66 and name HN ) 1.8 0.0 3.2  
assign (resid 62 and name HB1 )(resid 65 and name HB# ) 1.8 0.0 3.2  
assign (resid 62 and name HB2 )(resid 65 and name HB# ) 1.8 0.0 3.2  
assign (resid 62 and name HB# )(resid 64 and name HB# ) 1.8 0.0 3.2  
assign (resid 62 and name HB# )(resid 65 and name HG# ) 1.8 0.0 3.2  
assign (resid 62 and name HB# )(resid 65 and name HN ) 1.8 0.0 3.2  
assign (resid 62 and name HN )(resid 65 and name HD# ) 1.8 0.0 3.2  
assign (resid 63 and name HA )(resid 66 and name HB ) 1.8 0.0 3.2  
assign (resid 63 and name HA )(resid 66 and name HG2# ) 1.8 0.0 3.2  
assign (resid 63 and name HA )(resid 66 and name HN ) 1.8 0.0 3.2  
assign (resid 64 and name HA )(resid 66 and name HN ) 1.8 0.0 3.2  
assign (resid 65 and name HN )(resid 66 and name HN ) 1.8 0.0 1.1  
assign (resid 66 and name HA )(resid 67 and name HN ) 1.8 0.0 1.1  
assign (resid 66 and name HB )(resid 68 and name HE# ) 1.8 0.0 3.2  
assign (resid 66 and name HB )(resid 68 and name HZ ) 1.8 0.0 3.2  
assign (resid 66 and name HG1# )(resid 67 and name HN ) 1.8 0.0 3.2  
assign (resid 66 and name HG1# )(resid 68 and name HA ) 1.8 0.0 3.2  
assign (resid 66 and name HG1# )(resid 68 and name HD# ) 1.8 0.0 3.2  
assign (resid 66 and name HG1# )(resid 68 and name HE# ) 1.8 0.0 3.2  
assign (resid 66 and name HG1# )(resid 68 and name HZ ) 1.8 0.0 3.2  
assign (resid 66 and name HG2# )(resid 67 and name HN ) 1.8 0.0 3.2  
assign (resid 67 and name HA )(resid 68 and name HN ) 1.8 0.0 1.1  
assign (resid 67 and name HA )(resid 69 and name HG1# ) 1.8 0.0 3.2  
assign (resid 67 and name HG1 )(resid 69 and name HG1# ) 1.8 0.0 3.2  
assign (resid 67 and name HG2 )(resid 69 and name HG1# ) 1.8 0.0 3.2  
assign (resid 67 and name HG# )(resid 68 and name HN ) 1.8 0.0 3.2  
assign (resid 67 and name HG# )(resid 69 and name HN ) 1.8 0.0 3.2  
assign (resid 68 and name HA )(resid 69 and name HN ) 1.8 0.0 1.1  
assign (resid 68 and name HN )(resid 69 and name HG1# ) 1.8 0.0 3.2  
assign (resid 69 and name HA )(resid 70 and name HN ) 1.8 0.0 1.1  
assign (resid 69 and name HG1# )(resid 70 and name HN ) 1.8 0.0 3.2  
assign (resid 69 and name HG2# )(resid 70 and name HN ) 1.8 0.0 3.2  
assign (resid 69 and name HG2# )(resid 71 and name HA ) 1.8 0.0 3.2  
assign (resid 69 and name HG2# )(resid 71 and name HN ) 1.8 0.0 3.2  
assign (resid 70 and name HA )(resid 71 and name HN ) 1.8 0.0 1.7  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H        MET   1  63.341  -7.542  14.306
    2    HA   MET   1           HA       MET   1  65.454  -6.386  14.753
    3   1HB   MET   1          1HB       MET   1  66.204  -7.510  12.042
    4   2HB   MET   1          2HB       MET   1  67.150  -6.371  12.989
    5   1HG   MET   1          1HG       MET   1  66.525  -9.220  13.723
    6   2HG   MET   1          2HG       MET   1  68.072  -8.596  13.154
    7   1HE   MET   1          1HE       MET   1  69.331  -9.680  15.223
    8   2HE   MET   1          2HE       MET   1  67.793 -10.350  15.769
    9   3HE   MET   1          3HE       MET   1  68.820  -9.462  16.896
   10    H    GLU   2           H        GLU   2  63.468  -6.987  11.961
   11    HA   GLU   2           HA       GLU   2  62.150  -5.677  10.694
   12   1HB   GLU   2          1HB       GLU   2  62.638  -3.682  12.912
   13   2HB   GLU   2          2HB       GLU   2  61.518  -3.411  11.587
   14   1HG   GLU   2          1HG       GLU   2  60.173  -4.144  13.335
   15   2HG   GLU   2          2HG       GLU   2  60.383  -5.572  12.328
   16    H    LEU   3           H        LEU   3  62.227  -3.002   9.995
   17    HA   LEU   3           HA       LEU   3  64.794  -2.913   8.585
   18   1HB   LEU   3          1HB       LEU   3  62.177  -1.522   7.998
   19   2HB   LEU   3          2HB       LEU   3  63.646  -1.313   7.065
   20    HG   LEU   3           HG       LEU   3  62.091  -3.887   7.355
   21   1HD1  LEU   3          1HD1      LEU   3  60.972  -2.220   5.958
   22   2HD1  LEU   3          2HD1      LEU   3  61.568  -3.573   4.997
   23   3HD1  LEU   3          3HD1      LEU   3  62.440  -2.041   4.997
   24   1HD2  LEU   3          1HD2      LEU   3  63.635  -4.764   5.670
   25   2HD2  LEU   3          2HD2      LEU   3  64.484  -4.303   7.145
   26   3HD2  LEU   3          3HD2      LEU   3  64.551  -3.257   5.727
   27    H    HIS   4           H        HIS   4  66.087  -1.097   8.613
   28    HA   HIS   4           HA       HIS   4  65.409   0.867  10.698
   29   1HB   HIS   4          1HB       HIS   4  68.137  -0.088   9.807
   30   2HB   HIS   4          2HB       HIS   4  67.857   1.201  10.971
   31    HD1  HIS   4           HD1      HIS   4  69.345  -1.592  11.459
   32    HD2  HIS   4           HD2      HIS   4  65.501  -0.556  12.670
   33    HE1  HIS   4           HE1      HIS   4  68.815  -3.099  13.404
   34    HE2  HIS   4           HE2      HIS   4  66.553  -2.347  14.220
   35    H    CYS   5           H        CYS   5  66.179   3.020  10.379
   36    HA   CYS   5           HA       CYS   5  65.660   3.978   7.743
   37   1HB   CYS   5          1HB       CYS   5  66.892   5.730   9.812
   38   2HB   CYS   5          2HB       CYS   5  65.550   6.059   8.724
   39    HA   PRO   6           HA       PRO   6  69.962   4.286   6.466
   40   1HB   PRO   6          1HB       PRO   6  69.578   5.459   4.096
   41   2HB   PRO   6          2HB       PRO   6  69.067   3.790   4.379
   42   1HG   PRO   6          1HG       PRO   6  67.432   6.290   4.318
   43   2HG   PRO   6          2HG       PRO   6  67.044   4.679   3.690
   44   1HD   PRO   6          1HD       PRO   6  66.169   5.714   6.119
   45   2HD   PRO   6          2HD       PRO   6  66.210   3.993   5.693
   46    H    GLN   7           H        GLN   7  68.765   6.334   8.243
   47    HA   GLN   7           HA       GLN   7  70.595   8.484   7.775
   48   1HB   GLN   7          1HB       GLN   7  68.739   9.097   6.243
   49   2HB   GLN   7          2HB       GLN   7  67.630   9.081   7.605
   50   1HG   GLN   7          1HG       GLN   7  68.765  10.945   8.616
   51   2HG   GLN   7          2HG       GLN   7  70.008  10.910   7.364
   52   1HE2  GLN   7          1HE2      GLN   7  66.707  11.735   8.114
   53   2HE2  GLN   7          2HE2      GLN   7  66.411  12.656   6.681
   54    H    CYS   8           H        CYS   8  67.427   8.484   9.369
   55    HA   CYS   8           HA       CYS   8  68.687   8.940  11.946
   56   1HB   CYS   8          1HB       CYS   8  66.366   9.239  12.758
   57   2HB   CYS   8          2HB       CYS   8  66.706  10.275  11.375
   58    H    GLN   9           H        GLN   9  69.652   6.786  11.495
   59    HA   GLN   9           HA       GLN   9  68.417   4.392  11.170
   60   1HB   GLN   9          1HB       GLN   9  70.882   4.877  12.839
   61   2HB   GLN   9          2HB       GLN   9  70.404   3.339  12.132
   62   1HG   GLN   9          1HG       GLN   9  70.558   4.394   9.888
   63   2HG   GLN   9          2HG       GLN   9  71.197   5.842  10.662
   64   1HE2  GLN   9          1HE2      GLN   9  73.154   5.708   9.579
   65   2HE2  GLN   9          2HE2      GLN   9  74.340   4.500   9.965
   66    H    HIS  10           H        HIS  10  66.637   3.902  12.210
   67    HA   HIS  10           HA       HIS  10  66.898   2.617  14.739
   68   1HB   HIS  10          1HB       HIS  10  65.545   5.241  14.588
   69   2HB   HIS  10          2HB       HIS  10  64.589   3.970  15.341
   70    HD1  HIS  10           HD1      HIS  10  65.642   2.846  17.515
   71    HD2  HIS  10           HD2      HIS  10  67.549   6.295  16.166
   72    HE1  HIS  10           HE1      HIS  10  67.081   3.622  19.426
   73    HE2  HIS  10           HE2      HIS  10  68.198   5.729  18.613
   74    H    VAL  11           H        VAL  11  64.257   2.047  15.252
   75    HA   VAL  11           HA       VAL  11  63.687   0.266  13.098
   76    HB   VAL  11           HB       VAL  11  62.054   0.909  15.560
   77   1HG1  VAL  11          1HG1      VAL  11  61.792  -1.389  13.623
   78   2HG1  VAL  11          2HG1      VAL  11  60.666  -0.041  13.792
   79   3HG1  VAL  11          3HG1      VAL  11  60.878  -1.185  15.119
   80   1HG2  VAL  11          1HG2      VAL  11  62.967  -1.204  16.420
   81   2HG2  VAL  11          2HG2      VAL  11  64.231  -0.016  16.099
   82   3HG2  VAL  11          3HG2      VAL  11  63.967  -1.347  14.974
   83    H    LEU  12           H        LEU  12  62.244   0.391  11.490
   84    HA   LEU  12           HA       LEU  12  60.615   2.802  11.225
   85   1HB   LEU  12          1HB       LEU  12  61.197   0.527   9.325
   86   2HB   LEU  12          2HB       LEU  12  60.131   1.866   8.949
   87    HG   LEU  12           HG       LEU  12  63.070   2.151   9.581
   88   1HD1  LEU  12          1HD1      LEU  12  61.643   2.210   6.924
   89   2HD1  LEU  12          2HD1      LEU  12  62.734   0.944   7.488
   90   3HD1  LEU  12          3HD1      LEU  12  63.349   2.570   7.190
   91   1HD2  LEU  12          1HD2      LEU  12  61.031   4.110   8.533
   92   2HD2  LEU  12          2HD2      LEU  12  62.760   4.419   8.690
   93   3HD2  LEU  12          3HD2      LEU  12  61.781   4.134  10.129
   94    H    ASP  13           H        ASP  13  58.605   2.765  12.002
   95    HA   ASP  13           HA       ASP  13  57.259   0.255  12.554
   96   1HB   ASP  13          1HB       ASP  13  57.178   2.238  14.111
   97   2HB   ASP  13          2HB       ASP  13  56.224   3.082  12.899
   98    H    GLN  14           H        GLN  14  56.564  -0.712  10.721
   99    HA   GLN  14           HA       GLN  14  55.495   0.999   8.595
  100   1HB   GLN  14          1HB       GLN  14  56.658  -1.781   8.519
  101   2HB   GLN  14          2HB       GLN  14  55.907  -1.001   7.133
  102   1HG   GLN  14          1HG       GLN  14  57.566   0.802   7.272
  103   2HG   GLN  14          2HG       GLN  14  58.334  -0.028   8.623
  104   1HE2  GLN  14          1HE2      GLN  14  59.342   0.695   5.956
  105   2HE2  GLN  14          2HE2      GLN  14  59.906  -0.782   5.260
  106    H    ASP  15           H        ASP  15  53.488   0.953   8.015
  107    HA   ASP  15           HA       ASP  15  51.841  -1.419   8.583
  108   1HB   ASP  15          1HB       ASP  15  51.402   0.734  10.025
  109   2HB   ASP  15          2HB       ASP  15  50.657   1.351   8.554
  110    H    ASN  16           H        ASN  16  49.573  -0.089   7.163
  111    HA   ASN  16           HA       ASN  16  50.261  -1.015   4.575
  112   1HB   ASN  16          1HB       ASN  16  48.023  -0.419   3.904
  113   2HB   ASN  16          2HB       ASN  16  47.966  -1.137   5.505
  114   1HD2  ASN  16          1HD2      ASN  16  47.609   0.270   7.327
  115   2HD2  ASN  16          2HD2      ASN  16  46.770   1.768   7.094
  116    H    GLY  17           H        GLY  17  51.829   0.012   3.539
  117   1HA   GLY  17          1HA       GLY  17  52.742   1.540   2.096
  118   2HA   GLY  17          2HA       GLY  17  51.182   2.342   2.077
  119    H    HIS  18           H        HIS  18  52.513   2.040   5.198
  120    HA   HIS  18           HA       HIS  18  53.634   4.743   5.063
  121   1HB   HIS  18          1HB       HIS  18  51.371   3.848   6.846
  122   2HB   HIS  18          2HB       HIS  18  52.359   5.258   7.216
  123    HD1  HIS  18           HD1      HIS  18  49.729   4.031   4.840
  124    HD2  HIS  18           HD2      HIS  18  51.922   7.483   5.590
  125    HE1  HIS  18           HE1      HIS  18  48.641   5.838   3.473
  126    HE2  HIS  18           HE2      HIS  18  50.160   7.835   3.734
  127    H    ALA  19           H        ALA  19  55.282   5.145   6.453
  128    HA   ALA  19           HA       ALA  19  55.917   3.089   8.451
  129   1HB   ALA  19          1HB       ALA  19  57.248   2.597   6.454
  130   2HB   ALA  19          2HB       ALA  19  58.264   3.116   7.800
  131   3HB   ALA  19          3HB       ALA  19  57.899   4.235   6.487
  132    H    ARG  20           H        ARG  20  55.591   4.293  10.249
  133    HA   ARG  20           HA       ARG  20  56.779   6.955  10.360
  134   1HB   ARG  20          1HB       ARG  20  55.005   5.492  12.316
  135   2HB   ARG  20          2HB       ARG  20  55.723   7.064  12.638
  136   1HG   ARG  20          1HG       ARG  20  54.554   7.615  10.306
  137   2HG   ARG  20          2HG       ARG  20  53.481   6.327  10.863
  138   1HD   ARG  20          1HD       ARG  20  52.635   8.474  11.596
  139   2HD   ARG  20          2HD       ARG  20  53.175   7.534  12.988
  140    HE   ARG  20           HE       ARG  20  55.346   9.036  12.343
  141   1HH1  ARG  20          1HH1      ARG  20  51.996   9.799  13.024
  142   2HH1  ARG  20          2HH1      ARG  20  52.360  11.360  13.709
  143   1HH2  ARG  20          1HH2      ARG  20  55.828  11.100  13.231
  144   2HH2  ARG  20          2HH2      ARG  20  54.534  12.102  13.805
  145    H    CYS  21           H        CYS  21  58.576   7.406  11.422
  146    HA   CYS  21           HA       CYS  21  60.248   5.281  12.312
  147   1HB   CYS  21          1HB       CYS  21  60.456   8.263  12.236
  148   2HB   CYS  21          2HB       CYS  21  61.629   7.328  13.150
  149    H    ARG  22           H        ARG  22  59.332   4.250  14.074
  150    HA   ARG  22           HA       ARG  22  58.653   5.640  16.466
  151   1HB   ARG  22          1HB       ARG  22  58.881   3.348  17.517
  152   2HB   ARG  22          2HB       ARG  22  57.720   3.469  16.203
  153   1HG   ARG  22          1HG       ARG  22  59.539   2.580  14.691
  154   2HG   ARG  22          2HG       ARG  22  60.450   2.220  16.158
  155   1HD   ARG  22          1HD       ARG  22  57.673   1.204  15.574
  156   2HD   ARG  22          2HD       ARG  22  59.151   0.290  15.286
  157    HE   ARG  22           HE       ARG  22  59.478   0.747  17.833
  158   1HH1  ARG  22          1HH1      ARG  22  56.431   0.084  16.204
  159   2HH1  ARG  22          2HH1      ARG  22  55.763  -0.786  17.553
  160   1HH2  ARG  22          1HH2      ARG  22  58.588  -0.390  19.600
  161   2HH2  ARG  22          2HH2      ARG  22  56.984  -1.062  19.478
  162    H    SER  23           H        SER  23  59.875   6.077  18.236
  163    HA   SER  23           HA       SER  23  61.695   6.563  19.481
  164   1HB   SER  23          1HB       SER  23  63.177   4.601  17.717
  165   2HB   SER  23          2HB       SER  23  63.794   5.303  19.213
  166    HG   SER  23           HG       SER  23  61.422   4.298  19.782
  167    H    CYS  24           H        CYS  24  61.688   6.990  16.069
  168    HA   CYS  24           HA       CYS  24  63.780   9.028  16.229
  169   1HB   CYS  24          1HB       CYS  24  62.042   8.411  13.841
  170   2HB   CYS  24          2HB       CYS  24  63.545   9.315  13.861
  171    H    GLY  25           H        GLY  25  60.327   8.775  15.372
  172   1HA   GLY  25          1HA       GLY  25  58.723  10.424  16.111
  173   2HA   GLY  25          2HA       GLY  25  60.008  11.625  16.072
  174    H    GLU  26           H        GLU  26  60.898  10.302  13.494
  175    HA   GLU  26           HA       GLU  26  59.745  12.174  11.732
  176   1HB   GLU  26          1HB       GLU  26  62.034  11.259  11.521
  177   2HB   GLU  26          2HB       GLU  26  61.358   9.690  11.110
  178   1HG   GLU  26          1HG       GLU  26  62.110  10.825   9.121
  179   2HG   GLU  26          2HG       GLU  26  60.354  10.663   9.097
  180    H    PHE  27           H        PHE  27  58.501  11.817   9.842
  181    HA   PHE  27           HA       PHE  27  56.826   9.388   9.892
  182   1HB   PHE  27          1HB       PHE  27  55.415  11.218  10.512
  183   2HB   PHE  27          2HB       PHE  27  56.076  12.243   9.243
  184    HD1  PHE  27           HD1      PHE  27  54.965  12.430   7.229
  185    HD2  PHE  27           HD2      PHE  27  54.174   9.079   9.727
  186    HE1  PHE  27           HE1      PHE  27  53.165  11.727   5.707
  187    HE2  PHE  27           HE2      PHE  27  52.372   8.369   8.211
  188    HZ   PHE  27           HZ       PHE  27  51.865   9.693   6.197
  189    H    ILE  28           H        ILE  28  56.945   8.169   8.111
  190    HA   ILE  28           HA       ILE  28  57.827   9.431   5.603
  191    HB   ILE  28           HB       ILE  28  58.629   6.688   6.601
  192   1HG1  ILE  28          1HG1      ILE  28  60.303   9.180   6.202
  193   2HG1  ILE  28          2HG1      ILE  28  59.781   8.552   7.761
  194   1HG2  ILE  28          1HG2      ILE  28  59.391   8.154   4.078
  195   2HG2  ILE  28          2HG2      ILE  28  58.360   6.726   4.186
  196   3HG2  ILE  28          3HG2      ILE  28  60.068   6.616   4.613
  197   1HD1  ILE  28          1HD1      ILE  28  61.606   7.162   5.813
  198   2HD1  ILE  28          2HD1      ILE  28  61.074   6.517   7.366
  199   3HD1  ILE  28          3HD1      ILE  28  62.085   7.962   7.311
  200    H    GLU  29           H        GLU  29  56.700   8.901   3.805
  201    HA   GLU  29           HA       GLU  29  54.630   6.816   4.059
  202   1HB   GLU  29          1HB       GLU  29  53.815   9.160   3.693
  203   2HB   GLU  29          2HB       GLU  29  54.671   9.174   2.159
  204   1HG   GLU  29          1HG       GLU  29  53.252   7.523   1.241
  205   2HG   GLU  29          2HG       GLU  29  52.552   7.153   2.817
  206    H    MET  30           H        MET  30  54.366   5.372   2.242
  207    HA   MET  30           HA       MET  30  56.769   5.263   0.544
  208   1HB   MET  30          1HB       MET  30  55.430   2.905   1.883
  209   2HB   MET  30          2HB       MET  30  56.828   2.829   0.820
  210   1HG   MET  30          1HG       MET  30  58.079   4.215   2.454
  211   2HG   MET  30          2HG       MET  30  56.689   4.127   3.532
  212   1HE   MET  30          1HE       MET  30  59.689   2.250   1.919
  213   2HE   MET  30          2HE       MET  30  58.331   1.407   1.180
  214   3HE   MET  30          3HE       MET  30  59.364   0.567   2.337
  215    H    LYS  31           H        LYS  31  56.535   4.263  -1.487
  216    HA   LYS  31           HA       LYS  31  53.829   4.562  -2.551
  217   1HB   LYS  31          1HB       LYS  31  56.445   4.170  -4.015
  218   2HB   LYS  31          2HB       LYS  31  54.894   4.534  -4.754
  219   1HG   LYS  31          1HG       LYS  31  54.861   6.702  -3.650
  220   2HG   LYS  31          2HG       LYS  31  56.405   6.334  -2.876
  221   1HD   LYS  31          1HD       LYS  31  57.423   6.096  -5.121
  222   2HD   LYS  31          2HD       LYS  31  55.887   6.587  -5.836
  223   1HE   LYS  31          1HE       LYS  31  56.033   8.727  -4.645
  224   2HE   LYS  31          2HE       LYS  31  57.582   8.233  -3.963
  225   1HZ   LYS  31          1HZ       LYS  31  57.965   9.627  -5.848
  226   2HZ   LYS  31          2HZ       LYS  31  56.961   8.676  -6.831
  227   3HZ   LYS  31          3HZ       LYS  31  58.429   8.047  -6.259
  228    H    ALA  32           H        ALA  32  52.680   2.954  -3.464
  229    HA   ALA  32           HA       ALA  32  53.687   0.232  -3.175
  230   1HB   ALA  32          1HB       ALA  32  51.363  -0.441  -3.619
  231   2HB   ALA  32          2HB       ALA  32  50.929   1.248  -3.867
  232   3HB   ALA  32          3HB       ALA  32  51.469   0.701  -2.281
  233    H    LEU  33           H        LEU  33  54.986  -0.268  -4.876
  234    HA   LEU  33           HA       LEU  33  54.023   0.392  -7.581
  235   1HB   LEU  33          1HB       LEU  33  56.795  -0.439  -6.723
  236   2HB   LEU  33          2HB       LEU  33  56.315   0.076  -8.326
  237    HG   LEU  33           HG       LEU  33  56.433   1.797  -5.848
  238   1HD1  LEU  33          1HD1      LEU  33  58.194   2.965  -7.085
  239   2HD1  LEU  33          2HD1      LEU  33  58.052   1.787  -8.390
  240   3HD1  LEU  33          3HD1      LEU  33  58.606   1.274  -6.796
  241   1HD2  LEU  33          1HD2      LEU  33  55.621   2.528  -8.661
  242   2HD2  LEU  33          2HD2      LEU  33  55.847   3.656  -7.324
  243   3HD2  LEU  33          3HD2      LEU  33  54.553   2.460  -7.258
  244    H    CYS  34           H        CYS  34  53.861  -1.186  -9.146
  245    HA   CYS  34           HA       CYS  34  53.662  -3.926  -8.293
  246   1HB   CYS  34          1HB       CYS  34  52.189  -3.014 -10.058
  247   2HB   CYS  34          2HB       CYS  34  53.593  -2.723 -11.074
  248    HA   PRO  35           HA       PRO  35  58.039  -4.715  -8.451
  249   1HB   PRO  35          1HB       PRO  35  57.047  -7.463  -9.068
  250   2HB   PRO  35          2HB       PRO  35  58.243  -6.938  -7.876
  251   1HG   PRO  35          1HG       PRO  35  55.789  -7.591  -7.106
  252   2HG   PRO  35          2HG       PRO  35  56.622  -6.205  -6.380
  253   1HD   PRO  35          1HD       PRO  35  54.422  -6.251  -8.389
  254   2HD   PRO  35          2HD       PRO  35  54.732  -5.094  -7.079
  255    H    ASP  36           H        ASP  36  55.928  -6.136 -10.918
  256    HA   ASP  36           HA       ASP  36  58.135  -6.450 -12.767
  257   1HB   ASP  36          1HB       ASP  36  56.380  -7.412 -14.274
  258   2HB   ASP  36          2HB       ASP  36  56.524  -8.230 -12.721
  259    H    CYS  37           H        CYS  37  56.430  -3.813 -11.920
  260    HA   CYS  37           HA       CYS  37  56.483  -2.727 -14.665
  261   1HB   CYS  37          1HB       CYS  37  54.557  -1.986 -12.451
  262   2HB   CYS  37          2HB       CYS  37  54.638  -1.212 -14.028
  263    H    HIS  38           H        HIS  38  56.898  -2.071 -11.230
  264    HA   HIS  38           HA       HIS  38  57.928  -0.456 -10.050
  265   1HB   HIS  38          1HB       HIS  38  59.384  -0.133 -12.657
  266   2HB   HIS  38          2HB       HIS  38  59.672   0.983 -11.325
  267    HD1  HIS  38           HD1      HIS  38  60.917  -2.084 -12.676
  268    HD2  HIS  38           HD2      HIS  38  60.357  -0.572  -8.840
  269    HE1  HIS  38           HE1      HIS  38  62.378  -3.479 -11.172
  270    HE2  HIS  38           HE2      HIS  38  61.845  -2.682  -8.838
  271    H    GLN  39           H        GLN  39  55.566  -0.023 -11.982
  272    HA   GLN  39           HA       GLN  39  55.387   2.884 -11.666
  273   1HB   GLN  39          1HB       GLN  39  53.631   0.954 -13.212
  274   2HB   GLN  39          2HB       GLN  39  53.386   2.691 -13.123
  275   1HG   GLN  39          1HG       GLN  39  55.855   1.400 -14.256
  276   2HG   GLN  39          2HG       GLN  39  54.465   1.888 -15.220
  277   1HE2  GLN  39          1HE2      GLN  39  55.657   3.354 -16.411
  278   2HE2  GLN  39          2HE2      GLN  39  56.216   4.852 -15.757
  279    HA   PRO  40           HA       PRO  40  52.806   2.523  -8.136
  280   1HB   PRO  40          1HB       PRO  40  50.847   4.378  -8.642
  281   2HB   PRO  40          2HB       PRO  40  52.473   4.776  -8.079
  282   1HG   PRO  40          1HG       PRO  40  51.356   4.846 -10.852
  283   2HG   PRO  40          2HG       PRO  40  52.430   6.005 -10.045
  284   1HD   PRO  40          1HD       PRO  40  53.361   4.210 -11.812
  285   2HD   PRO  40          2HD       PRO  40  54.307   4.696 -10.391
  286    H    LEU  41           H        LEU  41  51.064   1.448  -7.365
  287    HA   LEU  41           HA       LEU  41  49.338   0.099  -9.258
  288   1HB   LEU  41          1HB       LEU  41  49.559  -0.030  -6.252
  289   2HB   LEU  41          2HB       LEU  41  48.402  -0.966  -7.178
  290    HG   LEU  41           HG       LEU  41  51.405  -1.177  -7.429
  291   1HD1  LEU  41          1HD1      LEU  41  51.112  -3.353  -6.351
  292   2HD1  LEU  41          2HD1      LEU  41  49.395  -3.013  -6.133
  293   3HD1  LEU  41          3HD1      LEU  41  50.601  -2.034  -5.297
  294   1HD2  LEU  41          1HD2      LEU  41  49.157  -2.739  -8.691
  295   2HD2  LEU  41          2HD2      LEU  41  50.859  -3.196  -8.752
  296   3HD2  LEU  41          3HD2      LEU  41  50.320  -1.701  -9.518
  297    H    GLN  42           H        GLN  42  47.074   0.215  -9.258
  298    HA   GLN  42           HA       GLN  42  46.014   2.823  -8.614
  299   1HB   GLN  42          1HB       GLN  42  45.408   1.638 -10.711
  300   2HB   GLN  42          2HB       GLN  42  44.627   0.386  -9.756
  301   1HG   GLN  42          1HG       GLN  42  42.994   1.920 -10.661
  302   2HG   GLN  42          2HG       GLN  42  43.035   2.027  -8.902
  303   1HE2  GLN  42          1HE2      GLN  42  42.126   4.083  -8.916
  304   2HE2  GLN  42          2HE2      GLN  42  43.012   5.480  -9.430
  305    H    VAL  43           H        VAL  43  45.387   3.263  -6.627
  306    HA   VAL  43           HA       VAL  43  44.783   1.226  -4.708
  307    HB   VAL  43           HB       VAL  43  44.422   4.220  -4.463
  308   1HG1  VAL  43          1HG1      VAL  43  44.573   3.807  -2.047
  309   2HG1  VAL  43          2HG1      VAL  43  44.630   2.072  -2.358
  310   3HG1  VAL  43          3HG1      VAL  43  43.186   2.995  -2.773
  311   1HG2  VAL  43          1HG2      VAL  43  46.780   2.501  -3.698
  312   2HG2  VAL  43          2HG2      VAL  43  46.610   4.226  -3.373
  313   3HG2  VAL  43          3HG2      VAL  43  46.724   3.649  -5.035
  314    H    LEU  44           H        LEU  44  42.960   0.122  -5.124
  315    HA   LEU  44           HA       LEU  44  40.520   1.472  -5.922
  316   1HB   LEU  44          1HB       LEU  44  40.910  -1.426  -5.172
  317   2HB   LEU  44          2HB       LEU  44  39.557  -0.740  -6.047
  318    HG   LEU  44           HG       LEU  44  42.390  -0.996  -7.062
  319   1HD1  LEU  44          1HD1      LEU  44  41.182  -3.110  -6.983
  320   2HD1  LEU  44          2HD1      LEU  44  41.417  -2.577  -8.648
  321   3HD1  LEU  44          3HD1      LEU  44  39.843  -2.388  -7.875
  322   1HD2  LEU  44          1HD2      LEU  44  41.505  -0.173  -9.187
  323   2HD2  LEU  44          2HD2      LEU  44  41.338   1.033  -7.909
  324   3HD2  LEU  44          3HD2      LEU  44  39.936   0.099  -8.428
  325    H    LYS  45           H        LYS  45  39.481   2.564  -4.357
  326    HA   LYS  45           HA       LYS  45  39.618   1.542  -1.618
  327   1HB   LYS  45          1HB       LYS  45  38.736   4.235  -2.669
  328   2HB   LYS  45          2HB       LYS  45  38.759   3.781  -0.971
  329   1HG   LYS  45          1HG       LYS  45  41.195   3.427  -1.130
  330   2HG   LYS  45          2HG       LYS  45  41.141   3.985  -2.803
  331   1HD   LYS  45          1HD       LYS  45  40.316   5.594  -0.386
  332   2HD   LYS  45          2HD       LYS  45  41.841   5.761  -1.258
  333   1HE   LYS  45          1HE       LYS  45  40.616   6.389  -3.279
  334   2HE   LYS  45          2HE       LYS  45  39.090   6.214  -2.410
  335   1HZ   LYS  45          1HZ       LYS  45  39.781   7.989  -0.918
  336   2HZ   LYS  45          2HZ       LYS  45  39.778   8.525  -2.527
  337   3HZ   LYS  45          3HZ       LYS  45  41.244   8.159  -1.759
  338    H    ALA  46           H        ALA  46  38.036   0.247  -1.024
  339    HA   ALA  46           HA       ALA  46  35.298   0.804  -1.960
  340   1HB   ALA  46          1HB       ALA  46  36.458  -1.741  -0.820
  341   2HB   ALA  46          2HB       ALA  46  36.145  -1.424  -2.526
  342   3HB   ALA  46          3HB       ALA  46  34.802  -1.523  -1.388
  343    H    CYS  47           H        CYS  47  36.672   2.239   0.130
  344    HA   CYS  47           HA       CYS  47  36.218   3.182   2.135
  345   1HB   CYS  47          1HB       CYS  47  33.840   2.992   1.575
  346   2HB   CYS  47          2HB       CYS  47  33.814   1.345   2.192
  347    HG   CYS  47           HG       CYS  47  33.822   1.914   4.784
  348    H    GLY  48           H        GLY  48  35.135  -0.179   2.682
  349   1HA   GLY  48          1HA       GLY  48  36.751  -0.293   5.084
  350   2HA   GLY  48          2HA       GLY  48  35.681  -1.550   4.482
  351    H    ALA  49           H        ALA  49  36.663  -1.964   1.960
  352    HA   ALA  49           HA       ALA  49  39.300  -3.109   2.562
  353   1HB   ALA  49          1HB       ALA  49  38.863  -4.666   0.734
  354   2HB   ALA  49          2HB       ALA  49  37.332  -3.856   0.400
  355   3HB   ALA  49          3HB       ALA  49  37.562  -4.712   1.924
  356    H    VAL  50           H        VAL  50  41.015  -2.866   1.140
  357    HA   VAL  50           HA       VAL  50  40.653  -0.963  -1.069
  358    HB   VAL  50           HB       VAL  50  42.931  -0.985   0.928
  359   1HG1  VAL  50          1HG1      VAL  50  43.786  -0.648  -1.335
  360   2HG1  VAL  50          2HG1      VAL  50  43.908   0.830  -0.382
  361   3HG1  VAL  50          3HG1      VAL  50  42.628   0.660  -1.583
  362   1HG2  VAL  50          1HG2      VAL  50  40.931   0.184   1.703
  363   2HG2  VAL  50          2HG2      VAL  50  40.915   1.151   0.228
  364   3HG2  VAL  50          3HG2      VAL  50  42.241   1.320   1.378
  365    H    ASP  51           H        ASP  51  41.257  -1.832  -2.937
  366    HA   ASP  51           HA       ASP  51  43.056  -4.158  -2.876
  367   1HB   ASP  51          1HB       ASP  51  41.159  -3.221  -5.041
  368   2HB   ASP  51          2HB       ASP  51  42.222  -4.615  -5.175
  369    H    TYR  52           H        TYR  52  44.823  -4.265  -4.296
  370    HA   TYR  52           HA       TYR  52  45.649  -1.662  -5.383
  371   1HB   TYR  52          1HB       TYR  52  47.395  -3.981  -4.515
  372   2HB   TYR  52          2HB       TYR  52  47.968  -2.435  -5.133
  373    HD1  TYR  52           HD1      TYR  52  47.685  -0.378  -3.768
  374    HD2  TYR  52           HD2      TYR  52  46.709  -4.228  -2.241
  375    HE1  TYR  52           HE1      TYR  52  47.692   0.533  -1.485
  376    HE2  TYR  52           HE2      TYR  52  46.714  -3.329   0.048
  377    HH   TYR  52           HH       TYR  52  46.764   0.021   0.706
  378    H    PHE  53           H        PHE  53  45.242  -1.605  -7.480
  379    HA   PHE  53           HA       PHE  53  45.335  -4.107  -9.006
  380   1HB   PHE  53          1HB       PHE  53  43.215  -2.940  -9.086
  381   2HB   PHE  53          2HB       PHE  53  44.012  -1.451  -9.576
  382    HD1  PHE  53           HD1      PHE  53  43.601  -4.985 -10.692
  383    HD2  PHE  53           HD2      PHE  53  44.044  -0.900 -11.797
  384    HE1  PHE  53           HE1      PHE  53  43.270  -5.592 -13.053
  385    HE2  PHE  53           HE2      PHE  53  43.715  -1.496 -14.157
  386    HZ   PHE  53           HZ       PHE  53  43.329  -3.848 -14.792
  387    H    CYS  54           H        CYS  54  46.805  -4.455 -10.552
  388    HA   CYS  54           HA       CYS  54  48.899  -2.545 -10.991
  389   1HB   CYS  54          1HB       CYS  54  49.490  -4.879 -11.005
  390   2HB   CYS  54          2HB       CYS  54  48.297  -5.226 -12.251
  391    H    GLN  55           H        GLN  55  47.966  -0.736 -11.922
  392    HA   GLN  55           HA       GLN  55  46.378  -0.872 -14.285
  393   1HB   GLN  55          1HB       GLN  55  46.377   1.044 -12.655
  394   2HB   GLN  55          2HB       GLN  55  47.974   1.481 -13.247
  395   1HG   GLN  55          1HG       GLN  55  47.069   1.882 -15.461
  396   2HG   GLN  55          2HG       GLN  55  45.469   1.383 -14.913
  397   1HE2  GLN  55          1HE2      GLN  55  44.307   2.736 -13.536
  398   2HE2  GLN  55          2HE2      GLN  55  44.703   4.408 -13.336
  399    H    HIS  56           H        HIS  56  47.345  -2.001 -15.838
  400    HA   HIS  56           HA       HIS  56  49.110  -0.996 -17.659
  401   1HB   HIS  56          1HB       HIS  56  50.547  -1.855 -15.321
  402   2HB   HIS  56          2HB       HIS  56  50.934  -2.936 -16.656
  403    HD1  HIS  56           HD1      HIS  56  51.822  -1.673 -18.898
  404    HD2  HIS  56           HD2      HIS  56  51.904   0.510 -15.355
  405    HE1  HIS  56           HE1      HIS  56  53.363   0.260 -19.326
  406    HE2  HIS  56           HE2      HIS  56  53.163   1.704 -17.274
  407    H    GLY  57           H        GLY  57  48.057  -3.822 -15.874
  408   1HA   GLY  57          1HA       GLY  57  46.603  -5.324 -17.206
  409   2HA   GLY  57          2HA       GLY  57  47.843  -5.257 -18.447
  410    H    HIS  58           H        HIS  58  47.775  -5.937 -14.933
  411    HA   HIS  58           HA       HIS  58  49.023  -8.525 -15.549
  412   1HB   HIS  58          1HB       HIS  58  49.929  -6.568 -13.444
  413   2HB   HIS  58          2HB       HIS  58  50.332  -8.279 -13.367
  414    HD2  HIS  58           HD2      HIS  58  51.315  -8.869 -16.347
  415    HE1  HIS  58           HE1      HIS  58  53.812  -5.471 -15.937
  416    HE2  HIS  58           HE2      HIS  58  53.497  -7.692 -17.074
  417    H    GLY  59           H        GLY  59  46.876  -6.656 -13.558
  418   1HA   GLY  59          1HA       GLY  59  44.896  -7.940 -12.808
  419   2HA   GLY  59          2HA       GLY  59  46.030  -9.159 -12.244
  420    H    LEU  60           H        LEU  60  45.170  -9.007 -10.136
  421    HA   LEU  60           HA       LEU  60  45.507  -6.453  -8.751
  422   1HB   LEU  60          1HB       LEU  60  44.133  -9.025  -7.996
  423   2HB   LEU  60          2HB       LEU  60  44.410  -7.742  -6.837
  424    HG   LEU  60           HG       LEU  60  43.082  -6.217  -8.349
  425   1HD1  LEU  60          1HD1      LEU  60  42.345  -8.817  -9.684
  426   2HD1  LEU  60          2HD1      LEU  60  43.256  -7.494 -10.413
  427   3HD1  LEU  60          3HD1      LEU  60  41.568  -7.257  -9.957
  428   1HD2  LEU  60          1HD2      LEU  60  42.150  -7.189  -6.320
  429   2HD2  LEU  60          2HD2      LEU  60  41.679  -8.633  -7.217
  430   3HD2  LEU  60          3HD2      LEU  60  40.929  -7.080  -7.588
  431    H    ILE  61           H        ILE  61  46.902  -6.128  -7.099
  432    HA   ILE  61           HA       ILE  61  48.786  -8.317  -6.487
  433    HB   ILE  61           HB       ILE  61  49.395  -5.354  -6.645
  434   1HG1  ILE  61          1HG1      ILE  61  49.118  -6.377  -8.867
  435   2HG1  ILE  61          2HG1      ILE  61  50.792  -5.917  -8.575
  436   1HG2  ILE  61          1HG2      ILE  61  50.703  -6.436  -4.914
  437   2HG2  ILE  61          2HG2      ILE  61  51.731  -6.015  -6.284
  438   3HG2  ILE  61          3HG2      ILE  61  51.213  -7.685  -6.051
  439   1HD1  ILE  61          1HD1      ILE  61  50.636  -8.071  -9.687
  440   2HD1  ILE  61          2HD1      ILE  61  49.666  -8.699  -8.354
  441   3HD1  ILE  61          3HD1      ILE  61  51.346  -8.237  -8.081
  442    H    SER  62           H        SER  62  48.927  -8.833  -4.376
  443    HA   SER  62           HA       SER  62  47.418  -7.302  -2.450
  444   1HB   SER  62          1HB       SER  62  47.513  -9.819  -2.456
  445   2HB   SER  62          2HB       SER  62  49.195  -9.698  -1.936
  446    HG   SER  62           HG       SER  62  46.849  -8.903  -0.563
  447    H    LYS  63           H        LYS  63  48.368  -6.615  -0.381
  448    HA   LYS  63           HA       LYS  63  50.649  -4.980  -0.858
  449   1HB   LYS  63          1HB       LYS  63  50.372  -4.424   1.619
  450   2HB   LYS  63          2HB       LYS  63  49.045  -4.012   0.543
  451   1HG   LYS  63          1HG       LYS  63  47.808  -5.960   1.271
  452   2HG   LYS  63          2HG       LYS  63  49.158  -6.459   2.293
  453   1HD   LYS  63          1HD       LYS  63  48.898  -4.520   3.685
  454   2HD   LYS  63          2HD       LYS  63  47.693  -3.841   2.590
  455   1HE   LYS  63          1HE       LYS  63  46.699  -4.854   4.614
  456   2HE   LYS  63          2HE       LYS  63  46.143  -5.605   3.121
  457   1HZ   LYS  63          1HZ       LYS  63  47.592  -7.452   3.487
  458   2HZ   LYS  63          2HZ       LYS  63  46.691  -7.203   4.905
  459   3HZ   LYS  63          3HZ       LYS  63  48.311  -6.705   4.831
  460    H    LYS  64           H        LYS  64  50.441  -8.200  -0.072
  461    HA   LYS  64           HA       LYS  64  52.991  -8.185   1.360
  462   1HB   LYS  64          1HB       LYS  64  51.012 -10.377   0.766
  463   2HB   LYS  64          2HB       LYS  64  52.618 -10.709   1.398
  464   1HG   LYS  64          1HG       LYS  64  50.425  -9.133   2.720
  465   2HG   LYS  64          2HG       LYS  64  51.095 -10.687   3.225
  466   1HD   LYS  64          1HD       LYS  64  53.327  -9.457   3.429
  467   2HD   LYS  64          2HD       LYS  64  52.383  -7.971   3.316
  468   1HE   LYS  64          1HE       LYS  64  52.720  -8.451   5.630
  469   2HE   LYS  64          2HE       LYS  64  51.028  -8.777   5.253
  470   1HZ   LYS  64          1HZ       LYS  64  52.002 -10.514   6.630
  471   2HZ   LYS  64          2HZ       LYS  64  53.174 -10.825   5.442
  472   3HZ   LYS  64          3HZ       LYS  64  51.538 -11.129   5.120
  473    H    ARG  65           H        ARG  65  52.027  -8.007  -1.743
  474    HA   ARG  65           HA       ARG  65  54.383  -9.503  -2.697
  475   1HB   ARG  65          1HB       ARG  65  52.128 -10.405  -3.409
  476   2HB   ARG  65          2HB       ARG  65  51.899  -8.912  -4.309
  477   1HG   ARG  65          1HG       ARG  65  53.852  -9.408  -5.667
  478   2HG   ARG  65          2HG       ARG  65  54.132 -10.884  -4.742
  479   1HD   ARG  65          1HD       ARG  65  51.818 -10.252  -6.560
  480   2HD   ARG  65          2HD       ARG  65  53.042 -11.505  -6.764
  481    HE   ARG  65           HE       ARG  65  50.715 -11.582  -5.022
  482   1HH1  ARG  65          1HH1      ARG  65  53.792 -13.053  -5.854
  483   2HH1  ARG  65          2HH1      ARG  65  53.357 -14.616  -5.234
  484   1HH2  ARG  65          1HH2      ARG  65  50.165 -13.622  -4.161
  485   2HH2  ARG  65          2HH2      ARG  65  51.308 -14.936  -4.243
  486    H    VAL  66           H        VAL  66  52.692  -6.545  -2.556
  487    HA   VAL  66           HA       VAL  66  53.718  -5.203  -4.801
  488    HB   VAL  66           HB       VAL  66  51.758  -4.446  -3.496
  489   1HG1  VAL  66          1HG1      VAL  66  52.556  -4.925  -1.270
  490   2HG1  VAL  66          2HG1      VAL  66  52.082  -3.231  -1.402
  491   3HG1  VAL  66          3HG1      VAL  66  53.790  -3.674  -1.420
  492   1HG2  VAL  66          1HG2      VAL  66  52.243  -2.054  -3.532
  493   2HG2  VAL  66          2HG2      VAL  66  52.880  -2.864  -4.962
  494   3HG2  VAL  66          3HG2      VAL  66  53.965  -2.403  -3.650
  495    H    GLU  67           H        GLU  67  55.356  -3.587  -4.929
  496    HA   GLU  67           HA       GLU  67  57.538  -3.953  -3.002
  497   1HB   GLU  67          1HB       GLU  67  58.114  -4.418  -5.338
  498   2HB   GLU  67          2HB       GLU  67  57.566  -2.815  -5.808
  499   1HG   GLU  67          1HG       GLU  67  59.369  -1.766  -4.734
  500   2HG   GLU  67          2HG       GLU  67  59.778  -3.220  -3.823
  501    H    PHE  68           H        PHE  68  57.599  -2.474  -1.456
  502    HA   PHE  68           HA       PHE  68  56.432   0.158  -1.922
  503   1HB   PHE  68          1HB       PHE  68  57.354  -1.250   0.583
  504   2HB   PHE  68          2HB       PHE  68  56.882   0.443   0.568
  505    HD1  PHE  68           HD1      PHE  68  54.521   0.774  -0.758
  506    HD2  PHE  68           HD2      PHE  68  55.772  -2.691   1.371
  507    HE1  PHE  68           HE1      PHE  68  52.169   0.144  -0.411
  508    HE2  PHE  68           HE2      PHE  68  53.422  -3.332   1.718
  509    HZ   PHE  68           HZ       PHE  68  51.616  -1.916   0.821
  510    H    VAL  69           H        VAL  69  57.650   1.812  -2.493
  511    HA   VAL  69           HA       VAL  69  60.507   1.766  -1.766
  512    HB   VAL  69           HB       VAL  69  60.931   3.260  -3.655
  513   1HG1  VAL  69          1HG1      VAL  69  60.526   1.664  -5.472
  514   2HG1  VAL  69          2HG1      VAL  69  59.405   0.779  -4.436
  515   3HG1  VAL  69          3HG1      VAL  69  61.116   0.865  -4.014
  516   1HG2  VAL  69          1HG2      VAL  69  59.189   3.731  -5.308
  517   2HG2  VAL  69          2HG2      VAL  69  58.784   4.409  -3.731
  518   3HG2  VAL  69          3HG2      VAL  69  58.000   2.928  -4.283
  519    H    LEU  70           H        LEU  70  61.476   3.951  -1.458
  520    HA   LEU  70           HA       LEU  70  59.991   5.353   0.542
  521   1HB   LEU  70          1HB       LEU  70  62.628   4.973   0.050
  522   2HB   LEU  70          2HB       LEU  70  62.427   6.583  -0.609
  523    HG   LEU  70           HG       LEU  70  61.784   5.770   2.230
  524   1HD1  LEU  70          1HD1      LEU  70  64.074   7.384   1.115
  525   2HD1  LEU  70          2HD1      LEU  70  64.179   5.752   1.776
  526   3HD1  LEU  70          3HD1      LEU  70  63.742   7.101   2.824
  527   1HD2  LEU  70          1HD2      LEU  70  61.538   8.169   2.630
  528   2HD2  LEU  70          2HD2      LEU  70  60.360   7.589   1.451
  529   3HD2  LEU  70          3HD2      LEU  70  61.783   8.481   0.912
  530    H    ALA  71           H        ALA  71  58.603   6.985   0.236
  531    HA   ALA  71           HA       ALA  71  58.493   8.274  -2.386
  532   1HB   ALA  71          1HB       ALA  71  56.416   7.334  -1.480
  533   2HB   ALA  71          2HB       ALA  71  56.298   9.080  -1.701
  534   3HB   ALA  71          3HB       ALA  71  56.540   8.409  -0.088
  Start of MODEL    2
    1    H    MET   1           H        MET   1  65.985 -10.035  10.261
    2    HA   MET   1           HA       MET   1  64.219  -9.526  11.807
    3   1HB   MET   1          1HB       MET   1  66.496  -9.933  12.642
    4   2HB   MET   1          2HB       MET   1  66.859  -8.219  12.497
    5   1HG   MET   1          1HG       MET   1  65.092  -7.750  14.163
    6   2HG   MET   1          2HG       MET   1  64.859  -9.488  14.354
    7   1HE   MET   1          1HE       MET   1  65.512  -7.511  16.795
    8   2HE   MET   1          2HE       MET   1  66.674  -8.498  17.683
    9   3HE   MET   1          3HE       MET   1  65.248  -9.246  16.962
   10    H    GLU   2           H        GLU   2  66.206  -6.561  11.599
   11    HA   GLU   2           HA       GLU   2  63.713  -5.027  11.948
   12   1HB   GLU   2          1HB       GLU   2  66.555  -4.201  12.546
   13   2HB   GLU   2          2HB       GLU   2  65.123  -3.222  12.812
   14   1HG   GLU   2          1HG       GLU   2  64.329  -4.852  14.458
   15   2HG   GLU   2          2HG       GLU   2  65.800  -5.798  14.208
   16    H    LEU   3           H        LEU   3  63.410  -3.121  10.768
   17    HA   LEU   3           HA       LEU   3  65.207  -2.720   8.469
   18   1HB   LEU   3          1HB       LEU   3  62.850  -3.272   7.886
   19   2HB   LEU   3          2HB       LEU   3  62.323  -1.861   8.781
   20    HG   LEU   3           HG       LEU   3  63.552  -0.415   7.203
   21   1HD1  LEU   3          1HD1      LEU   3  65.284  -1.987   6.533
   22   2HD1  LEU   3          2HD1      LEU   3  64.423  -1.366   5.126
   23   3HD1  LEU   3          3HD1      LEU   3  64.080  -2.990   5.726
   24   1HD2  LEU   3          1HD2      LEU   3  61.602  -2.331   5.930
   25   2HD2  LEU   3          2HD2      LEU   3  62.046  -0.747   5.292
   26   3HD2  LEU   3          3HD2      LEU   3  61.195  -0.871   6.832
   27    H    HIS   4           H        HIS   4  66.478  -0.971   8.661
   28    HA   HIS   4           HA       HIS   4  65.838   0.920  10.811
   29   1HB   HIS   4          1HB       HIS   4  68.435   0.220   9.436
   30   2HB   HIS   4          2HB       HIS   4  68.281   1.573  10.550
   31    HD1  HIS   4           HD1      HIS   4  69.670   0.726  12.467
   32    HD2  HIS   4           HD2      HIS   4  66.793  -2.024  11.248
   33    HE1  HIS   4           HE1      HIS   4  69.724  -1.121  14.173
   34    HE2  HIS   4           HE2      HIS   4  67.807  -2.632  13.556
   35    H    CYS   5           H        CYS   5  66.062   3.183  10.488
   36    HA   CYS   5           HA       CYS   5  65.087   3.960   7.888
   37   1HB   CYS   5          1HB       CYS   5  65.075   6.280   9.118
   38   2HB   CYS   5          2HB       CYS   5  63.876   5.055   9.504
   39    HA   PRO   6           HA       PRO   6  69.030   4.431   6.083
   40   1HB   PRO   6          1HB       PRO   6  67.610   6.584   4.573
   41   2HB   PRO   6          2HB       PRO   6  68.636   5.275   3.973
   42   1HG   PRO   6          1HG       PRO   6  65.997   5.097   3.791
   43   2HG   PRO   6          2HG       PRO   6  66.973   3.679   4.217
   44   1HD   PRO   6          1HD       PRO   6  65.232   5.366   5.936
   45   2HD   PRO   6          2HD       PRO   6  65.602   3.636   6.054
   46    H    GLN   7           H        GLN   7  67.398   7.559   6.703
   47    HA   GLN   7           HA       GLN   7  69.900   8.959   6.598
   48   1HB   GLN   7          1HB       GLN   7  67.812   9.957   5.792
   49   2HB   GLN   7          2HB       GLN   7  67.150   9.901   7.418
   50   1HG   GLN   7          1HG       GLN   7  68.806  11.482   8.184
   51   2HG   GLN   7          2HG       GLN   7  69.568  11.494   6.593
   52   1HE2  GLN   7          1HE2      GLN   7  66.985  11.373   5.220
   53   2HE2  GLN   7          2HE2      GLN   7  66.297  12.952   5.354
   54    H    CYS   8           H        CYS   8  67.561   8.259   9.155
   55    HA   CYS   8           HA       CYS   8  69.207   9.601  11.129
   56   1HB   CYS   8          1HB       CYS   8  67.006   8.468  12.399
   57   2HB   CYS   8          2HB       CYS   8  67.144  10.125  11.808
   58    H    GLN   9           H        GLN   9  68.205   6.355  10.309
   59    HA   GLN   9           HA       GLN   9  68.881   4.309  10.902
   60   1HB   GLN   9          1HB       GLN   9  71.257   5.814  11.970
   61   2HB   GLN   9          2HB       GLN   9  71.149   4.059  11.933
   62   1HG   GLN   9          1HG       GLN   9  70.950   5.839   9.515
   63   2HG   GLN   9          2HG       GLN   9  72.416   5.018  10.044
   64   1HE2  GLN   9          1HE2      GLN   9  72.587   3.844   8.156
   65   2HE2  GLN   9          2HE2      GLN   9  71.522   2.533   7.777
   66    H    HIS  10           H        HIS  10  67.430   3.536  12.235
   67    HA   HIS  10           HA       HIS  10  68.316   2.814  14.805
   68   1HB   HIS  10          1HB       HIS  10  67.453   5.113  15.354
   69   2HB   HIS  10          2HB       HIS  10  65.855   4.583  14.834
   70    HD1  HIS  10           HD1      HIS  10  64.433   3.465  16.567
   71    HD2  HIS  10           HD2      HIS  10  68.435   3.620  17.675
   72    HE1  HIS  10           HE1      HIS  10  64.511   2.609  18.926
   73    HE2  HIS  10           HE2      HIS  10  66.918   2.833  19.627
   74    H    VAL  11           H        VAL  11  65.053   3.418  13.509
   75    HA   VAL  11           HA       VAL  11  64.677   0.760  12.609
   76    HB   VAL  11           HB       VAL  11  64.591   0.403  15.100
   77   1HG1  VAL  11          1HG1      VAL  11  63.532   2.475  15.768
   78   2HG1  VAL  11          2HG1      VAL  11  62.567   1.095  16.302
   79   3HG1  VAL  11          3HG1      VAL  11  62.065   2.032  14.893
   80   1HG2  VAL  11          1HG2      VAL  11  62.089  -0.205  13.531
   81   2HG2  VAL  11          2HG2      VAL  11  62.548  -0.981  15.047
   82   3HG2  VAL  11          3HG2      VAL  11  63.552  -1.188  13.611
   83    H    LEU  12           H        LEU  12  62.773   0.520  11.469
   84    HA   LEU  12           HA       LEU  12  61.119   2.936  11.184
   85   1HB   LEU  12          1HB       LEU  12  61.797   0.693   9.303
   86   2HB   LEU  12          2HB       LEU  12  60.406   1.722   9.025
   87    HG   LEU  12           HG       LEU  12  63.235   2.744   9.258
   88   1HD1  LEU  12          1HD1      LEU  12  63.017   1.312   7.302
   89   2HD1  LEU  12          2HD1      LEU  12  63.142   3.005   6.825
   90   3HD1  LEU  12          3HD1      LEU  12  61.576   2.195   6.801
   91   1HD2  LEU  12          1HD2      LEU  12  62.276   4.778   8.288
   92   2HD2  LEU  12          2HD2      LEU  12  61.530   4.378   9.836
   93   3HD2  LEU  12          3HD2      LEU  12  60.676   4.037   8.330
   94    H    ASP  13           H        ASP  13  59.057   2.860  11.788
   95    HA   ASP  13           HA       ASP  13  57.936   0.251  12.540
   96   1HB   ASP  13          1HB       ASP  13  58.126   2.020  14.319
   97   2HB   ASP  13          2HB       ASP  13  56.994   3.000  13.395
   98    H    GLN  14           H        GLN  14  57.275  -0.316  10.459
   99    HA   GLN  14           HA       GLN  14  55.155   1.344   9.296
  100   1HB   GLN  14          1HB       GLN  14  55.430  -0.114   7.264
  101   2HB   GLN  14          2HB       GLN  14  56.815   0.891   7.646
  102   1HG   GLN  14          1HG       GLN  14  56.672  -1.960   8.549
  103   2HG   GLN  14          2HG       GLN  14  57.220  -1.531   6.929
  104   1HE2  GLN  14          1HE2      GLN  14  58.656  -2.745   9.214
  105   2HE2  GLN  14          2HE2      GLN  14  60.012  -1.713   9.501
  106    H    ASP  15           H        ASP  15  53.152   0.773   9.597
  107    HA   ASP  15           HA       ASP  15  52.358  -2.009   9.738
  108   1HB   ASP  15          1HB       ASP  15  53.015  -1.457  12.072
  109   2HB   ASP  15          2HB       ASP  15  51.840  -0.147  12.072
  110    H    ASN  16           H        ASN  16  51.430   1.362  10.109
  111    HA   ASN  16           HA       ASN  16  48.696   1.008   9.390
  112   1HB   ASN  16          1HB       ASN  16  49.207   2.920  10.691
  113   2HB   ASN  16          2HB       ASN  16  50.510   3.406   9.612
  114   1HD2  ASN  16          1HD2      ASN  16  47.091   3.408  10.160
  115   2HD2  ASN  16          2HD2      ASN  16  46.683   4.511   8.885
  116    H    GLY  17           H        GLY  17  51.611   1.913   7.636
  117   1HA   GLY  17          1HA       GLY  17  51.266   1.101   5.165
  118   2HA   GLY  17          2HA       GLY  17  50.072   2.396   5.194
  119    H    HIS  18           H        HIS  18  51.864   3.810   7.161
  120    HA   HIS  18           HA       HIS  18  53.875   4.804   5.265
  121   1HB   HIS  18          1HB       HIS  18  52.695   6.061   7.753
  122   2HB   HIS  18          2HB       HIS  18  54.033   6.755   6.844
  123    HD1  HIS  18           HD1      HIS  18  50.571   7.167   7.231
  124    HD2  HIS  18           HD2      HIS  18  53.093   7.051   3.924
  125    HE1  HIS  18           HE1      HIS  18  49.323   8.335   5.382
  126    HE2  HIS  18           HE2      HIS  18  50.917   8.372   3.429
  127    H    ALA  19           H        ALA  19  56.022   5.214   6.101
  128    HA   ALA  19           HA       ALA  19  56.793   3.244   8.110
  129   1HB   ALA  19          1HB       ALA  19  59.099   3.726   7.384
  130   2HB   ALA  19          2HB       ALA  19  58.477   4.937   6.264
  131   3HB   ALA  19          3HB       ALA  19  58.064   3.238   6.041
  132    H    ARG  20           H        ARG  20  56.478   3.998  10.092
  133    HA   ARG  20           HA       ARG  20  56.937   6.820  10.660
  134   1HB   ARG  20          1HB       ARG  20  54.828   5.915  11.406
  135   2HB   ARG  20          2HB       ARG  20  55.640   4.603  12.248
  136   1HG   ARG  20          1HG       ARG  20  56.621   6.204  13.808
  137   2HG   ARG  20          2HG       ARG  20  55.813   7.524  12.957
  138   1HD   ARG  20          1HD       ARG  20  54.600   6.830  14.986
  139   2HD   ARG  20          2HD       ARG  20  53.647   6.612  13.521
  140    HE   ARG  20           HE       ARG  20  54.853   4.188  13.930
  141   1HH1  ARG  20          1HH1      ARG  20  52.771   6.272  15.826
  142   2HH1  ARG  20          2HH1      ARG  20  52.015   4.953  16.675
  143   1HH2  ARG  20          1HH2      ARG  20  53.869   2.453  15.006
  144   2HH2  ARG  20          2HH2      ARG  20  52.632   2.774  16.206
  145    H    CYS  21           H        CYS  21  58.928   7.367  11.275
  146    HA   CYS  21           HA       CYS  21  60.627   5.526  12.701
  147   1HB   CYS  21          1HB       CYS  21  60.886   8.426  11.938
  148   2HB   CYS  21          2HB       CYS  21  62.063   7.635  12.972
  149    H    ARG  22           H        ARG  22  59.580   5.009  14.600
  150    HA   ARG  22           HA       ARG  22  58.190   6.712  16.277
  151   1HB   ARG  22          1HB       ARG  22  58.070   4.325  16.567
  152   2HB   ARG  22          2HB       ARG  22  59.784   4.237  16.952
  153   1HG   ARG  22          1HG       ARG  22  59.359   5.578  18.982
  154   2HG   ARG  22          2HG       ARG  22  57.636   5.545  18.605
  155   1HD   ARG  22          1HD       ARG  22  57.538   3.189  18.886
  156   2HD   ARG  22          2HD       ARG  22  59.295   3.060  18.959
  157    HE   ARG  22           HE       ARG  22  58.058   4.693  21.021
  158   1HH1  ARG  22          1HH1      ARG  22  59.230   1.524  20.090
  159   2HH1  ARG  22          2HH1      ARG  22  59.518   1.013  21.728
  160   1HH2  ARG  22          1HH2      ARG  22  58.447   4.014  23.188
  161   2HH2  ARG  22          2HH2      ARG  22  59.085   2.425  23.476
  162    H    SER  23           H        SER  23  61.613   5.766  16.537
  163    HA   SER  23           HA       SER  23  62.130   7.350  18.815
  164   1HB   SER  23          1HB       SER  23  64.532   6.903  18.228
  165   2HB   SER  23          2HB       SER  23  63.530   5.454  18.327
  166    HG   SER  23           HG       SER  23  64.886   6.501  16.202
  167    H    CYS  24           H        CYS  24  62.463   7.945  15.365
  168    HA   CYS  24           HA       CYS  24  64.020  10.330  15.721
  169   1HB   CYS  24          1HB       CYS  24  62.595   9.667  13.175
  170   2HB   CYS  24          2HB       CYS  24  64.177  10.401  13.406
  171    H    GLY  25           H        GLY  25  60.638   9.553  15.121
  172   1HA   GLY  25          1HA       GLY  25  58.798  10.920  15.576
  173   2HA   GLY  25          2HA       GLY  25  59.885  12.290  15.766
  174    H    GLU  26           H        GLU  26  60.391  10.399  12.973
  175    HA   GLU  26           HA       GLU  26  59.261  12.559  11.337
  176   1HB   GLU  26          1HB       GLU  26  60.927  12.186   9.775
  177   2HB   GLU  26          2HB       GLU  26  61.773  11.775  11.259
  178   1HG   GLU  26          1HG       GLU  26  60.843   9.366  10.682
  179   2HG   GLU  26          2HG       GLU  26  60.844  10.032   9.052
  180    H    PHE  27           H        PHE  27  58.176  11.965   9.341
  181    HA   PHE  27           HA       PHE  27  56.997   9.269   9.426
  182   1HB   PHE  27          1HB       PHE  27  55.690  11.897   8.714
  183   2HB   PHE  27          2HB       PHE  27  54.973  10.333   8.339
  184    HD1  PHE  27           HD1      PHE  27  54.252   8.837  10.153
  185    HD2  PHE  27           HD2      PHE  27  55.643  12.786  10.922
  186    HE1  PHE  27           HE1      PHE  27  53.246   8.751  12.397
  187    HE2  PHE  27           HE2      PHE  27  54.642  12.706  13.168
  188    HZ   PHE  27           HZ       PHE  27  53.442  10.688  13.908
  189    H    ILE  28           H        ILE  28  57.602   8.084   7.759
  190    HA   ILE  28           HA       ILE  28  58.388   9.440   5.267
  191    HB   ILE  28           HB       ILE  28  59.071   6.645   6.205
  192   1HG1  ILE  28          1HG1      ILE  28  60.812   9.116   6.066
  193   2HG1  ILE  28          2HG1      ILE  28  60.145   8.435   7.544
  194   1HG2  ILE  28          1HG2      ILE  28  60.091   8.211   3.836
  195   2HG2  ILE  28          2HG2      ILE  28  58.984   6.839   3.770
  196   3HG2  ILE  28          3HG2      ILE  28  60.640   6.610   4.333
  197   1HD1  ILE  28          1HD1      ILE  28  61.433   6.396   7.184
  198   2HD1  ILE  28          2HD1      ILE  28  62.473   7.817   7.254
  199   3HD1  ILE  28          3HD1      ILE  28  62.096   7.077   5.700
  200    H    GLU  29           H        GLU  29  57.317   9.033   3.413
  201    HA   GLU  29           HA       GLU  29  54.875   7.503   3.539
  202   1HB   GLU  29          1HB       GLU  29  56.176   9.227   1.457
  203   2HB   GLU  29          2HB       GLU  29  54.849   8.167   1.014
  204   1HG   GLU  29          1HG       GLU  29  54.070  10.419   1.462
  205   2HG   GLU  29          2HG       GLU  29  53.402   9.274   2.621
  206    H    MET  30           H        MET  30  54.405   5.623   2.408
  207    HA   MET  30           HA       MET  30  56.729   4.268   1.222
  208   1HB   MET  30          1HB       MET  30  54.330   2.968   2.529
  209   2HB   MET  30          2HB       MET  30  55.740   2.143   1.875
  210   1HG   MET  30          1HG       MET  30  57.149   3.260   3.549
  211   2HG   MET  30          2HG       MET  30  55.713   4.023   4.226
  212   1HE   MET  30          1HE       MET  30  56.476   0.353   2.930
  213   2HE   MET  30          2HE       MET  30  56.779  -0.451   4.467
  214   3HE   MET  30          3HE       MET  30  57.861   0.828   3.909
  215    H    LYS  31           H        LYS  31  56.613   4.133  -0.866
  216    HA   LYS  31           HA       LYS  31  54.102   4.633  -2.231
  217   1HB   LYS  31          1HB       LYS  31  56.189   5.829  -2.840
  218   2HB   LYS  31          2HB       LYS  31  56.903   4.298  -3.314
  219   1HG   LYS  31          1HG       LYS  31  55.337   4.064  -5.121
  220   2HG   LYS  31          2HG       LYS  31  54.459   5.504  -4.593
  221   1HD   LYS  31          1HD       LYS  31  56.475   6.856  -4.992
  222   2HD   LYS  31          2HD       LYS  31  57.320   5.413  -5.551
  223   1HE   LYS  31          1HE       LYS  31  55.826   5.196  -7.418
  224   2HE   LYS  31          2HE       LYS  31  54.811   6.505  -6.810
  225   1HZ   LYS  31          1HZ       LYS  31  56.603   8.052  -7.161
  226   2HZ   LYS  31          2HZ       LYS  31  56.301   7.216  -8.607
  227   3HZ   LYS  31          3HZ       LYS  31  57.647   6.807  -7.656
  228    H    ALA  32           H        ALA  32  52.840   3.011  -2.770
  229    HA   ALA  32           HA       ALA  32  53.698   0.291  -2.797
  230   1HB   ALA  32          1HB       ALA  32  51.403  -0.215  -3.429
  231   2HB   ALA  32          2HB       ALA  32  51.096   1.494  -3.733
  232   3HB   ALA  32          3HB       ALA  32  51.442   0.938  -2.096
  233    H    LEU  33           H        LEU  33  55.090  -0.271  -4.365
  234    HA   LEU  33           HA       LEU  33  54.434   0.474  -7.130
  235   1HB   LEU  33          1HB       LEU  33  56.994  -0.592  -5.944
  236   2HB   LEU  33          2HB       LEU  33  56.747  -0.262  -7.646
  237    HG   LEU  33           HG       LEU  33  56.750   1.772  -5.415
  238   1HD1  LEU  33          1HD1      LEU  33  58.751   2.613  -6.553
  239   2HD1  LEU  33          2HD1      LEU  33  58.664   1.265  -7.688
  240   3HD1  LEU  33          3HD1      LEU  33  58.968   0.960  -5.977
  241   1HD2  LEU  33          1HD2      LEU  33  55.138   2.377  -7.137
  242   2HD2  LEU  33          2HD2      LEU  33  56.364   2.138  -8.381
  243   3HD2  LEU  33          3HD2      LEU  33  56.550   3.432  -7.199
  244    H    CYS  34           H        CYS  34  54.126  -1.026  -8.684
  245    HA   CYS  34           HA       CYS  34  53.612  -3.759  -7.871
  246   1HB   CYS  34          1HB       CYS  34  52.093  -2.662  -9.440
  247   2HB   CYS  34          2HB       CYS  34  53.416  -2.370 -10.555
  248    HA   PRO  35           HA       PRO  35  57.980  -4.622  -8.267
  249   1HB   PRO  35          1HB       PRO  35  56.880  -7.395  -8.457
  250   2HB   PRO  35          2HB       PRO  35  58.216  -6.776  -7.476
  251   1HG   PRO  35          1HG       PRO  35  55.869  -7.225  -6.352
  252   2HG   PRO  35          2HG       PRO  35  56.787  -5.765  -5.937
  253   1HD   PRO  35          1HD       PRO  35  54.386  -6.062  -7.689
  254   2HD   PRO  35          2HD       PRO  35  54.820  -4.743  -6.583
  255    H    ASP  36           H        ASP  36  55.642  -6.150 -10.456
  256    HA   ASP  36           HA       ASP  36  57.574  -7.150 -12.257
  257   1HB   ASP  36          1HB       ASP  36  55.693  -7.510 -13.816
  258   2HB   ASP  36          2HB       ASP  36  55.359  -8.123 -12.204
  259    H    CYS  37           H        CYS  37  56.261  -3.982 -11.877
  260    HA   CYS  37           HA       CYS  37  57.587  -3.190 -14.376
  261   1HB   CYS  37          1HB       CYS  37  55.737  -1.395 -14.527
  262   2HB   CYS  37          2HB       CYS  37  55.344  -3.042 -15.004
  263    H    HIS  38           H        HIS  38  57.222  -2.704 -11.058
  264    HA   HIS  38           HA       HIS  38  57.984  -1.201  -9.549
  265   1HB   HIS  38          1HB       HIS  38  59.868  -0.710 -11.833
  266   2HB   HIS  38          2HB       HIS  38  59.941   0.299 -10.391
  267    HD1  HIS  38           HD1      HIS  38  60.859  -3.048 -11.680
  268    HD2  HIS  38           HD2      HIS  38  60.697  -1.088  -8.016
  269    HE1  HIS  38           HE1      HIS  38  62.200  -4.465 -10.091
  270    HE2  HIS  38           HE2      HIS  38  62.161  -3.219  -7.901
  271    H    GLN  39           H        GLN  39  55.794  -0.546 -11.381
  272    HA   GLN  39           HA       GLN  39  55.901   2.389 -11.286
  273   1HB   GLN  39          1HB       GLN  39  55.286   0.806 -13.414
  274   2HB   GLN  39          2HB       GLN  39  53.687   1.043 -12.725
  275   1HG   GLN  39          1HG       GLN  39  54.148   2.685 -14.448
  276   2HG   GLN  39          2HG       GLN  39  53.966   3.456 -12.874
  277   1HE2  GLN  39          1HE2      GLN  39  56.172   2.634 -15.424
  278   2HE2  GLN  39          2HE2      GLN  39  57.486   3.627 -14.889
  279    HA   PRO  40           HA       PRO  40  53.176   2.507  -7.846
  280   1HB   PRO  40          1HB       PRO  40  51.423   4.506  -8.651
  281   2HB   PRO  40          2HB       PRO  40  52.988   4.766  -7.874
  282   1HG   PRO  40          1HG       PRO  40  52.269   4.863 -10.773
  283   2HG   PRO  40          2HG       PRO  40  53.372   5.903  -9.852
  284   1HD   PRO  40          1HD       PRO  40  54.310   3.981 -11.450
  285   2HD   PRO  40          2HD       PRO  40  55.086   4.332  -9.892
  286    H    LEU  41           H        LEU  41  51.397   1.547  -7.129
  287    HA   LEU  41           HA       LEU  41  49.554   0.357  -9.044
  288   1HB   LEU  41          1HB       LEU  41  50.053  -0.010  -6.101
  289   2HB   LEU  41          2HB       LEU  41  48.671  -0.733  -6.899
  290    HG   LEU  41           HG       LEU  41  51.501  -1.249  -7.797
  291   1HD1  LEU  41          1HD1      LEU  41  51.375  -3.350  -6.545
  292   2HD1  LEU  41          2HD1      LEU  41  49.832  -2.844  -5.855
  293   3HD1  LEU  41          3HD1      LEU  41  51.304  -1.951  -5.472
  294   1HD2  LEU  41          1HD2      LEU  41  48.884  -2.679  -8.232
  295   2HD2  LEU  41          2HD2      LEU  41  50.453  -3.237  -8.802
  296   3HD2  LEU  41          3HD2      LEU  41  49.770  -1.734  -9.427
  297    H    GLN  42           H        GLN  42  47.298   0.596  -8.923
  298    HA   GLN  42           HA       GLN  42  46.397   3.121  -7.802
  299   1HB   GLN  42          1HB       GLN  42  45.636   2.668 -10.032
  300   2HB   GLN  42          2HB       GLN  42  45.067   1.070  -9.577
  301   1HG   GLN  42          1HG       GLN  42  43.194   2.542  -9.857
  302   2HG   GLN  42          2HG       GLN  42  43.347   2.108  -8.158
  303   1HE2  GLN  42          1HE2      GLN  42  41.997   4.365  -9.384
  304   2HE2  GLN  42          2HE2      GLN  42  42.704   5.784  -8.689
  305    H    VAL  43           H        VAL  43  45.428   3.283  -5.907
  306    HA   VAL  43           HA       VAL  43  44.894   0.892  -4.376
  307    HB   VAL  43           HB       VAL  43  44.529   3.783  -3.573
  308   1HG1  VAL  43          1HG1      VAL  43  44.685   1.269  -1.916
  309   2HG1  VAL  43          2HG1      VAL  43  43.254   2.267  -2.171
  310   3HG1  VAL  43          3HG1      VAL  43  44.630   2.910  -1.276
  311   1HG2  VAL  43          1HG2      VAL  43  46.690   3.538  -2.426
  312   2HG2  VAL  43          2HG2      VAL  43  46.843   3.355  -4.173
  313   3HG2  VAL  43          3HG2      VAL  43  46.869   1.932  -3.132
  314    H    LEU  44           H        LEU  44  43.064  -0.118  -4.934
  315    HA   LEU  44           HA       LEU  44  40.639   1.402  -5.443
  316   1HB   LEU  44          1HB       LEU  44  41.070  -1.589  -5.386
  317   2HB   LEU  44          2HB       LEU  44  39.615  -0.773  -5.922
  318    HG   LEU  44           HG       LEU  44  42.316  -0.672  -7.266
  319   1HD1  LEU  44          1HD1      LEU  44  41.173  -1.866  -9.067
  320   2HD1  LEU  44          2HD1      LEU  44  39.700  -1.921  -8.097
  321   3HD1  LEU  44          3HD1      LEU  44  41.141  -2.787  -7.561
  322   1HD2  LEU  44          1HD2      LEU  44  39.709   0.628  -8.046
  323   2HD2  LEU  44          2HD2      LEU  44  41.187   0.613  -9.010
  324   3HD2  LEU  44          3HD2      LEU  44  41.150   1.461  -7.463
  325    H    LYS  45           H        LYS  45  40.232   2.302  -3.394
  326    HA   LYS  45           HA       LYS  45  39.848   0.562  -1.128
  327   1HB   LYS  45          1HB       LYS  45  40.579   2.907  -0.830
  328   2HB   LYS  45          2HB       LYS  45  39.049   3.459  -1.498
  329   1HG   LYS  45          1HG       LYS  45  37.852   2.438   0.364
  330   2HG   LYS  45          2HG       LYS  45  39.379   1.852   1.028
  331   1HD   LYS  45          1HD       LYS  45  38.559   3.912   2.129
  332   2HD   LYS  45          2HD       LYS  45  40.145   4.108   1.383
  333   1HE   LYS  45          1HE       LYS  45  39.156   5.224  -0.516
  334   2HE   LYS  45          2HE       LYS  45  37.537   4.925   0.111
  335   1HZ   LYS  45          1HZ       LYS  45  38.449   7.209   0.495
  336   2HZ   LYS  45          2HZ       LYS  45  39.560   6.520   1.580
  337   3HZ   LYS  45          3HZ       LYS  45  37.894   6.410   1.884
  338    H    ALA  46           H        ALA  46  38.352  -0.927  -1.733
  339    HA   ALA  46           HA       ALA  46  35.890  -0.075  -3.008
  340   1HB   ALA  46          1HB       ALA  46  36.896  -2.841  -2.365
  341   2HB   ALA  46          2HB       ALA  46  37.085  -2.000  -3.904
  342   3HB   ALA  46          3HB       ALA  46  35.478  -2.452  -3.337
  343    H    CYS  47           H        CYS  47  35.330   1.092  -0.972
  344    HA   CYS  47           HA       CYS  47  33.738   1.360   0.616
  345   1HB   CYS  47          1HB       CYS  47  32.813  -1.403  -0.181
  346   2HB   CYS  47          2HB       CYS  47  31.859  -0.164   0.629
  347    HG   CYS  47           HG       CYS  47  32.833  -0.305  -2.631
  348    H    GLY  48           H        GLY  48  36.302  -0.247   1.187
  349   1HA   GLY  48          1HA       GLY  48  36.530  -0.410   3.775
  350   2HA   GLY  48          2HA       GLY  48  35.405  -1.744   3.549
  351    H    ALA  49           H        ALA  49  36.543  -2.549   1.009
  352    HA   ALA  49           HA       ALA  49  38.932  -3.912   1.992
  353   1HB   ALA  49          1HB       ALA  49  37.190  -5.252   0.895
  354   2HB   ALA  49          2HB       ALA  49  38.710  -5.311   0.003
  355   3HB   ALA  49          3HB       ALA  49  37.388  -4.298  -0.576
  356    H    VAL  50           H        VAL  50  40.820  -4.054   0.461
  357    HA   VAL  50           HA       VAL  50  41.060  -1.659  -1.220
  358    HB   VAL  50           HB       VAL  50  43.149  -2.584   0.768
  359   1HG1  VAL  50          1HG1      VAL  50  43.250  -0.340  -1.246
  360   2HG1  VAL  50          2HG1      VAL  50  44.194  -1.829  -1.294
  361   3HG1  VAL  50          3HG1      VAL  50  44.459  -0.656  -0.004
  362   1HG2  VAL  50          1HG2      VAL  50  42.823  -0.402   1.814
  363   2HG2  VAL  50          2HG2      VAL  50  41.320  -1.325   1.799
  364   3HG2  VAL  50          3HG2      VAL  50  41.564  -0.017   0.640
  365    H    ASP  51           H        ASP  51  41.343  -2.407  -3.211
  366    HA   ASP  51           HA       ASP  51  43.045  -4.774  -3.606
  367   1HB   ASP  51          1HB       ASP  51  41.126  -3.427  -5.523
  368   2HB   ASP  51          2HB       ASP  51  42.097  -4.843  -5.894
  369    H    TYR  52           H        TYR  52  44.917  -4.629  -4.782
  370    HA   TYR  52           HA       TYR  52  45.726  -1.929  -5.573
  371   1HB   TYR  52          1HB       TYR  52  47.328  -4.433  -5.044
  372   2HB   TYR  52          2HB       TYR  52  48.028  -2.975  -5.744
  373    HD1  TYR  52           HD1      TYR  52  46.590  -4.465  -2.711
  374    HD2  TYR  52           HD2      TYR  52  48.384  -1.004  -4.409
  375    HE1  TYR  52           HE1      TYR  52  46.937  -3.543  -0.458
  376    HE2  TYR  52           HE2      TYR  52  48.742  -0.077  -2.160
  377    HH   TYR  52           HH       TYR  52  47.820  -0.315   0.102
  378    H    PHE  53           H        PHE  53  45.142  -1.486  -7.572
  379    HA   PHE  53           HA       PHE  53  45.171  -3.640  -9.566
  380   1HB   PHE  53          1HB       PHE  53  43.055  -2.409  -9.201
  381   2HB   PHE  53          2HB       PHE  53  43.856  -0.918  -9.676
  382    HD1  PHE  53           HD1      PHE  53  43.467  -0.199 -11.805
  383    HD2  PHE  53           HD2      PHE  53  43.403  -4.376 -11.008
  384    HE1  PHE  53           HE1      PHE  53  42.860  -0.631 -14.144
  385    HE2  PHE  53           HE2      PHE  53  42.799  -4.818 -13.347
  386    HZ   PHE  53           HZ       PHE  53  42.525  -2.946 -14.924
  387    H    CYS  54           H        CYS  54  46.743  -3.701 -11.029
  388    HA   CYS  54           HA       CYS  54  48.527  -1.411 -11.273
  389   1HB   CYS  54          1HB       CYS  54  49.477  -3.682 -11.018
  390   2HB   CYS  54          2HB       CYS  54  48.714  -4.159 -12.529
  391    H    GLN  55           H        GLN  55  47.215   0.052 -12.387
  392    HA   GLN  55           HA       GLN  55  45.948  -0.515 -14.846
  393   1HB   GLN  55          1HB       GLN  55  46.892   2.051 -13.583
  394   2HB   GLN  55          2HB       GLN  55  46.147   2.023 -15.176
  395   1HG   GLN  55          1HG       GLN  55  44.137   1.026 -14.222
  396   2HG   GLN  55          2HG       GLN  55  44.882   1.057 -12.624
  397   1HE2  GLN  55          1HE2      GLN  55  43.207   2.369 -11.835
  398   2HE2  GLN  55          2HE2      GLN  55  43.107   4.056 -12.232
  399    H    HIS  56           H        HIS  56  47.157  -1.515 -16.264
  400    HA   HIS  56           HA       HIS  56  48.986  -0.360 -17.978
  401   1HB   HIS  56          1HB       HIS  56  50.299  -1.609 -15.582
  402   2HB   HIS  56          2HB       HIS  56  51.040  -1.832 -17.159
  403    HD1  HIS  56           HD1      HIS  56  50.461   1.088 -18.219
  404    HD2  HIS  56           HD2      HIS  56  52.122   0.142 -14.527
  405    HE1  HIS  56           HE1      HIS  56  51.746   3.126 -17.513
  406    HE2  HIS  56           HE2      HIS  56  52.495   2.616 -15.166
  407    H    GLY  57           H        GLY  57  47.594  -3.049 -16.389
  408   1HA   GLY  57          1HA       GLY  57  46.607  -4.802 -17.712
  409   2HA   GLY  57          2HA       GLY  57  47.969  -4.672 -18.816
  410    H    HIS  58           H        HIS  58  47.797  -5.001 -15.270
  411    HA   HIS  58           HA       HIS  58  49.215  -7.564 -15.564
  412   1HB   HIS  58          1HB       HIS  58  49.785  -5.404 -13.523
  413   2HB   HIS  58          2HB       HIS  58  50.397  -7.050 -13.395
  414    HD2  HIS  58           HD2      HIS  58  51.280  -7.235 -16.651
  415    HE1  HIS  58           HE1      HIS  58  53.877  -4.062 -15.571
  416    HE2  HIS  58           HE2      HIS  58  53.269  -5.735 -17.349
  417    H    GLY  59           H        GLY  59  46.557  -5.912 -14.360
  418   1HA   GLY  59          1HA       GLY  59  44.672  -6.934 -13.438
  419   2HA   GLY  59          2HA       GLY  59  45.663  -8.318 -13.003
  420    H    LEU  60           H        LEU  60  44.874  -8.431 -10.933
  421    HA   LEU  60           HA       LEU  60  45.231  -6.110  -9.184
  422   1HB   LEU  60          1HB       LEU  60  43.821  -8.746  -8.760
  423   2HB   LEU  60          2HB       LEU  60  43.985  -7.515  -7.524
  424    HG   LEU  60           HG       LEU  60  42.535  -7.141 -10.147
  425   1HD1  LEU  60          1HD1      LEU  60  40.502  -7.200  -8.804
  426   2HD1  LEU  60          2HD1      LEU  60  41.454  -7.552  -7.362
  427   3HD1  LEU  60          3HD1      LEU  60  41.385  -8.722  -8.681
  428   1HD2  LEU  60          1HD2      LEU  60  42.714  -5.378  -7.706
  429   2HD2  LEU  60          2HD2      LEU  60  41.720  -5.075  -9.131
  430   3HD2  LEU  60          3HD2      LEU  60  43.479  -5.069  -9.266
  431    H    ILE  61           H        ILE  61  46.827  -5.966  -7.803
  432    HA   ILE  61           HA       ILE  61  48.612  -8.267  -7.461
  433    HB   ILE  61           HB       ILE  61  49.077  -5.348  -6.817
  434   1HG1  ILE  61          1HG1      ILE  61  48.950  -5.749  -9.222
  435   2HG1  ILE  61          2HG1      ILE  61  50.607  -5.392  -8.750
  436   1HG2  ILE  61          1HG2      ILE  61  50.979  -7.686  -6.731
  437   2HG2  ILE  61          2HG2      ILE  61  50.358  -6.793  -5.344
  438   3HG2  ILE  61          3HG2      ILE  61  51.424  -5.996  -6.501
  439   1HD1  ILE  61          1HD1      ILE  61  49.480  -8.125  -9.321
  440   2HD1  ILE  61          2HD1      ILE  61  51.141  -7.775  -8.841
  441   3HD1  ILE  61          3HD1      ILE  61  50.526  -7.181 -10.383
  442    H    SER  62           H        SER  62  48.435  -9.412  -5.680
  443    HA   SER  62           HA       SER  62  46.786  -8.713  -3.507
  444   1HB   SER  62          1HB       SER  62  48.973 -10.803  -3.643
  445   2HB   SER  62          2HB       SER  62  47.654 -10.751  -2.472
  446    HG   SER  62           HG       SER  62  46.209 -11.231  -4.040
  447    H    LYS  63           H        LYS  63  47.384  -8.295  -1.303
  448    HA   LYS  63           HA       LYS  63  49.185  -6.170  -1.068
  449   1HB   LYS  63          1HB       LYS  63  47.991  -7.901   1.098
  450   2HB   LYS  63          2HB       LYS  63  48.831  -6.384   1.382
  451   1HG   LYS  63          1HG       LYS  63  47.109  -5.310  -0.133
  452   2HG   LYS  63          2HG       LYS  63  46.210  -6.822  -0.018
  453   1HD   LYS  63          1HD       LYS  63  47.076  -5.155   2.343
  454   2HD   LYS  63          2HD       LYS  63  45.474  -5.091   1.610
  455   1HE   LYS  63          1HE       LYS  63  45.050  -7.381   2.202
  456   2HE   LYS  63          2HE       LYS  63  46.710  -7.590   2.763
  457   1HZ   LYS  63          1HZ       LYS  63  46.327  -6.307   4.637
  458   2HZ   LYS  63          2HZ       LYS  63  44.866  -7.156   4.484
  459   3HZ   LYS  63          3HZ       LYS  63  44.966  -5.541   3.977
  460    H    LYS  64           H        LYS  64  49.691  -9.598  -0.615
  461    HA   LYS  64           HA       LYS  64  52.211  -9.275   0.740
  462   1HB   LYS  64          1HB       LYS  64  50.904 -11.673  -0.541
  463   2HB   LYS  64          2HB       LYS  64  52.455 -11.738   0.284
  464   1HG   LYS  64          1HG       LYS  64  51.350 -10.954   2.350
  465   2HG   LYS  64          2HG       LYS  64  49.801 -11.002   1.504
  466   1HD   LYS  64          1HD       LYS  64  51.637 -13.366   1.885
  467   2HD   LYS  64          2HD       LYS  64  50.217 -13.017   2.875
  468   1HE   LYS  64          1HE       LYS  64  48.769 -13.250   0.968
  469   2HE   LYS  64          2HE       LYS  64  50.152 -13.434  -0.109
  470   1HZ   LYS  64          1HZ       LYS  64  49.530 -15.310   2.104
  471   2HZ   LYS  64          2HZ       LYS  64  50.680 -15.514   0.872
  472   3HZ   LYS  64          3HZ       LYS  64  49.026 -15.542   0.502
  473    H    ARG  65           H        ARG  65  51.367  -8.623  -2.357
  474    HA   ARG  65           HA       ARG  65  54.057  -9.306  -3.346
  475   1HB   ARG  65          1HB       ARG  65  51.436  -9.257  -4.829
  476   2HB   ARG  65          2HB       ARG  65  52.985  -9.207  -5.658
  477   1HG   ARG  65          1HG       ARG  65  53.555 -11.351  -4.457
  478   2HG   ARG  65          2HG       ARG  65  51.862 -11.418  -3.966
  479   1HD   ARG  65          1HD       ARG  65  51.149 -11.447  -6.271
  480   2HD   ARG  65          2HD       ARG  65  52.810 -11.229  -6.822
  481    HE   ARG  65           HE       ARG  65  51.680 -13.664  -5.614
  482   1HH1  ARG  65          1HH1      ARG  65  54.276 -12.036  -7.312
  483   2HH1  ARG  65          2HH1      ARG  65  55.122 -13.501  -7.698
  484   1HH2  ARG  65          1HH2      ARG  65  52.788 -15.596  -6.128
  485   2HH2  ARG  65          2HH2      ARG  65  54.292 -15.520  -6.992
  486    H    VAL  66           H        VAL  66  52.602  -6.813  -2.107
  487    HA   VAL  66           HA       VAL  66  53.174  -4.887  -4.226
  488    HB   VAL  66           HB       VAL  66  52.108  -4.397  -1.435
  489   1HG1  VAL  66          1HG1      VAL  66  51.533  -2.177  -2.261
  490   2HG1  VAL  66          2HG1      VAL  66  52.253  -2.564  -3.824
  491   3HG1  VAL  66          3HG1      VAL  66  53.269  -2.464  -2.387
  492   1HG2  VAL  66          1HG2      VAL  66  50.676  -4.557  -4.084
  493   2HG2  VAL  66          2HG2      VAL  66  49.948  -4.029  -2.567
  494   3HG2  VAL  66          3HG2      VAL  66  50.529  -5.686  -2.738
  495    H    GLU  67           H        GLU  67  55.053  -3.831  -4.357
  496    HA   GLU  67           HA       GLU  67  56.960  -4.125  -2.167
  497   1HB   GLU  67          1HB       GLU  67  57.628  -4.640  -4.537
  498   2HB   GLU  67          2HB       GLU  67  57.417  -2.935  -4.910
  499   1HG   GLU  67          1HG       GLU  67  59.160  -2.346  -3.332
  500   2HG   GLU  67          2HG       GLU  67  59.345  -4.038  -2.878
  501    H    PHE  68           H        PHE  68  56.565  -2.655  -0.633
  502    HA   PHE  68           HA       PHE  68  55.876   0.077  -1.334
  503   1HB   PHE  68          1HB       PHE  68  56.297  -1.250   1.353
  504   2HB   PHE  68          2HB       PHE  68  55.807   0.426   1.131
  505    HD1  PHE  68           HD1      PHE  68  53.593   0.937   0.138
  506    HD2  PHE  68           HD2      PHE  68  54.741  -3.020   1.207
  507    HE1  PHE  68           HE1      PHE  68  51.231   0.246   0.110
  508    HE2  PHE  68           HE2      PHE  68  52.384  -3.718   1.176
  509    HZ   PHE  68           HZ       PHE  68  50.624  -2.085   0.629
  510    H    VAL  69           H        VAL  69  57.447   1.391  -1.944
  511    HA   VAL  69           HA       VAL  69  60.110   1.077  -0.748
  512    HB   VAL  69           HB       VAL  69  60.949   2.490  -2.545
  513   1HG1  VAL  69          1HG1      VAL  69  60.523   1.001  -4.441
  514   2HG1  VAL  69          2HG1      VAL  69  59.161   0.291  -3.574
  515   3HG1  VAL  69          3HG1      VAL  69  60.800   0.098  -2.951
  516   1HG2  VAL  69          1HG2      VAL  69  58.088   2.630  -3.500
  517   2HG2  VAL  69          2HG2      VAL  69  59.496   3.247  -4.365
  518   3HG2  VAL  69          3HG2      VAL  69  59.026   3.961  -2.823
  519    H    LEU  70           H        LEU  70  61.274   3.061  -0.131
  520    HA   LEU  70           HA       LEU  70  59.559   4.739   1.465
  521   1HB   LEU  70          1HB       LEU  70  62.554   4.805   1.076
  522   2HB   LEU  70          2HB       LEU  70  61.668   5.734   2.271
  523    HG   LEU  70           HG       LEU  70  61.895   2.724   2.175
  524   1HD1  LEU  70          1HD1      LEU  70  63.067   4.752   4.071
  525   2HD1  LEU  70          2HD1      LEU  70  63.953   3.808   2.874
  526   3HD1  LEU  70          3HD1      LEU  70  63.178   3.000   4.238
  527   1HD2  LEU  70          1HD2      LEU  70  60.523   4.500   4.192
  528   2HD2  LEU  70          2HD2      LEU  70  60.710   2.749   4.305
  529   3HD2  LEU  70          3HD2      LEU  70  59.719   3.449   3.026
  530    H    ALA  71           H        ALA  71  58.676   6.563   0.800
  531    HA   ALA  71           HA       ALA  71  59.820   7.917  -1.549
  532   1HB   ALA  71          1HB       ALA  71  57.051   8.154  -0.372
  533   2HB   ALA  71          2HB       ALA  71  57.493   7.179  -1.772
  534   3HB   ALA  71          3HB       ALA  71  57.625   8.936  -1.845
  Start of MODEL    3
    1    H    MET   1           H        MET   1  60.992  -7.526   8.470
    2    HA   MET   1           HA       MET   1  59.794  -9.260  10.551
    3   1HB   MET   1          1HB       MET   1  61.679 -10.357   9.515
    4   2HB   MET   1          2HB       MET   1  62.648  -8.896   9.624
    5   1HG   MET   1          1HG       MET   1  63.332 -10.486  11.302
    6   2HG   MET   1          2HG       MET   1  62.623  -9.064  12.063
    7   1HE   MET   1          1HE       MET   1  62.424 -10.417  14.349
    8   2HE   MET   1          2HE       MET   1  63.131 -11.831  13.567
    9   3HE   MET   1          3HE       MET   1  61.634 -11.987  14.486
   10    H    GLU   2           H        GLU   2  62.508  -6.957  10.285
   11    HA   GLU   2           HA       GLU   2  61.365  -5.150  12.211
   12   1HB   GLU   2          1HB       GLU   2  62.276  -7.210  13.499
   13   2HB   GLU   2          2HB       GLU   2  63.866  -6.601  13.073
   14   1HG   GLU   2          1HG       GLU   2  61.970  -4.739  14.395
   15   2HG   GLU   2          2HG       GLU   2  62.692  -6.017  15.366
   16    H    LEU   3           H        LEU   3  61.860  -3.385  11.024
   17    HA   LEU   3           HA       LEU   3  64.469  -3.307   9.687
   18   1HB   LEU   3          1HB       LEU   3  61.933  -1.770   9.133
   19   2HB   LEU   3          2HB       LEU   3  63.447  -1.496   8.299
   20    HG   LEU   3           HG       LEU   3  63.295  -3.976   7.608
   21   1HD1  LEU   3          1HD1      LEU   3  61.037  -4.879   7.463
   22   2HD1  LEU   3          2HD1      LEU   3  60.414  -3.486   8.348
   23   3HD1  LEU   3          3HD1      LEU   3  61.509  -4.619   9.143
   24   1HD2  LEU   3          1HD2      LEU   3  61.348  -1.947   6.525
   25   2HD2  LEU   3          2HD2      LEU   3  61.889  -3.402   5.688
   26   3HD2  LEU   3          3HD2      LEU   3  63.042  -2.122   6.063
   27    H    HIS   4           H        HIS   4  65.667  -1.351   9.620
   28    HA   HIS   4           HA       HIS   4  65.033   0.568  11.758
   29   1HB   HIS   4          1HB       HIS   4  67.733  -0.638  11.124
   30   2HB   HIS   4          2HB       HIS   4  67.528   0.806  12.107
   31    HD1  HIS   4           HD1      HIS   4  68.749  -1.925  13.126
   32    HD2  HIS   4           HD2      HIS   4  64.860  -0.606  13.726
   33    HE1  HIS   4           HE1      HIS   4  67.929  -3.143  15.164
   34    HE2  HIS   4           HE2      HIS   4  65.478  -2.562  15.289
   35    H    CYS   5           H        CYS   5  66.022   2.677  11.441
   36    HA   CYS   5           HA       CYS   5  65.787   3.577   8.736
   37   1HB   CYS   5          1HB       CYS   5  67.043   5.255  10.863
   38   2HB   CYS   5          2HB       CYS   5  65.903   5.717   9.605
   39    HA   PRO   6           HA       PRO   6  69.953   2.784   7.421
   40   1HB   PRO   6          1HB       PRO   6  69.493   5.145   5.676
   41   2HB   PRO   6          2HB       PRO   6  69.995   3.507   5.246
   42   1HG   PRO   6          1HG       PRO   6  67.514   4.351   4.751
   43   2HG   PRO   6          2HG       PRO   6  67.828   2.688   5.284
   44   1HD   PRO   6          1HD       PRO   6  66.766   5.011   6.832
   45   2HD   PRO   6          2HD       PRO   6  66.321   3.295   6.922
   46    H    GLN   7           H        GLN   7  69.077   6.242   7.693
   47    HA   GLN   7           HA       GLN   7  71.785   6.816   8.619
   48   1HB   GLN   7          1HB       GLN   7  70.857   8.229   6.834
   49   2HB   GLN   7          2HB       GLN   7  69.537   8.705   7.893
   50   1HG   GLN   7          1HG       GLN   7  72.040   9.200   9.190
   51   2HG   GLN   7          2HG       GLN   7  72.038   9.934   7.587
   52   1HE2  GLN   7          1HE2      GLN   7  72.038  11.997   8.537
   53   2HE2  GLN   7          2HE2      GLN   7  70.601  12.669   9.242
   54    H    CYS   8           H        CYS   8  68.485   7.784   9.622
   55    HA   CYS   8           HA       CYS   8  69.434   8.433  12.263
   56   1HB   CYS   8          1HB       CYS   8  67.142   9.144  12.718
   57   2HB   CYS   8          2HB       CYS   8  67.693   9.817  11.189
   58    H    GLN   9           H        GLN   9  70.167   6.083  12.195
   59    HA   GLN   9           HA       GLN   9  68.802   3.805  12.372
   60   1HB   GLN   9          1HB       GLN   9  71.094   4.780  14.023
   61   2HB   GLN   9          2HB       GLN   9  70.404   3.194  14.338
   62   1HG   GLN   9          1HG       GLN   9  71.460   4.100  11.671
   63   2HG   GLN   9          2HG       GLN   9  72.368   3.148  12.845
   64   1HE2  GLN   9          1HE2      GLN   9  71.636   2.448  10.132
   65   2HE2  GLN   9          2HE2      GLN   9  70.682   1.006  10.233
   66    H    HIS  10           H        HIS  10  67.025   3.264  13.218
   67    HA   HIS  10           HA       HIS  10  66.495   3.024  15.943
   68   1HB   HIS  10          1HB       HIS  10  65.594   5.552  14.731
   69   2HB   HIS  10          2HB       HIS  10  64.305   4.639  15.505
   70    HD1  HIS  10           HD1      HIS  10  66.405   7.288  16.297
   71    HD2  HIS  10           HD2      HIS  10  65.504   3.725  18.251
   72    HE1  HIS  10           HE1      HIS  10  66.930   7.687  18.726
   73    HE2  HIS  10           HE2      HIS  10  66.514   5.477  19.865
   74    H    VAL  11           H        VAL  11  63.939   2.554  16.121
   75    HA   VAL  11           HA       VAL  11  63.501   0.402  14.337
   76    HB   VAL  11           HB       VAL  11  62.696   0.270  16.610
   77   1HG1  VAL  11          1HG1      VAL  11  62.204   2.603  17.029
   78   2HG1  VAL  11          2HG1      VAL  11  60.795   1.607  17.400
   79   3HG1  VAL  11          3HG1      VAL  11  60.848   2.542  15.904
   80   1HG2  VAL  11          1HG2      VAL  11  60.410   0.307  14.644
   81   2HG2  VAL  11          2HG2      VAL  11  60.396  -0.491  16.218
   82   3HG2  VAL  11          3HG2      VAL  11  61.500  -1.043  14.957
   83    H    LEU  12           H        LEU  12  62.413   0.252  12.497
   84    HA   LEU  12           HA       LEU  12  60.654   2.475  11.705
   85   1HB   LEU  12          1HB       LEU  12  62.723   0.997  10.208
   86   2HB   LEU  12          2HB       LEU  12  61.218   1.251   9.347
   87    HG   LEU  12           HG       LEU  12  62.934   3.428  10.544
   88   1HD1  LEU  12          1HD1      LEU  12  63.410   4.017   8.222
   89   2HD1  LEU  12          2HD1      LEU  12  62.473   2.627   7.673
   90   3HD1  LEU  12          3HD1      LEU  12  63.960   2.381   8.589
   91   1HD2  LEU  12          1HD2      LEU  12  60.567   4.001  10.570
   92   2HD2  LEU  12          2HD2      LEU  12  60.432   3.571   8.865
   93   3HD2  LEU  12          3HD2      LEU  12  61.424   4.946   9.352
   94    H    ASP  13           H        ASP  13  58.765   1.624  12.470
   95    HA   ASP  13           HA       ASP  13  58.008  -1.047  11.551
   96   1HB   ASP  13          1HB       ASP  13  56.071  -0.763  13.140
   97   2HB   ASP  13          2HB       ASP  13  57.659  -0.800  13.893
   98    H    GLN  14           H        GLN  14  56.152  -1.434  10.406
   99    HA   GLN  14           HA       GLN  14  55.113   0.900   8.944
  100   1HB   GLN  14          1HB       GLN  14  55.652  -1.923   8.011
  101   2HB   GLN  14          2HB       GLN  14  54.772  -0.735   7.059
  102   1HG   GLN  14          1HG       GLN  14  56.638   0.474   6.580
  103   2HG   GLN  14          2HG       GLN  14  57.450   0.023   8.078
  104   1HE2  GLN  14          1HE2      GLN  14  58.654  -1.826   8.158
  105   2HE2  GLN  14          2HE2      GLN  14  59.071  -2.745   6.755
  106    H    ASP  15           H        ASP  15  52.999   1.246   9.080
  107    HA   ASP  15           HA       ASP  15  51.291  -0.914  10.127
  108   1HB   ASP  15          1HB       ASP  15  51.350   1.011  11.609
  109   2HB   ASP  15          2HB       ASP  15  50.948   2.090  10.277
  110    H    ASN  16           H        ASN  16  51.092   1.958   8.066
  111    HA   ASN  16           HA       ASN  16  49.444   0.450   6.166
  112   1HB   ASN  16          1HB       ASN  16  48.014   2.464   5.864
  113   2HB   ASN  16          2HB       ASN  16  47.895   1.794   7.485
  114   1HD2  ASN  16          1HD2      ASN  16  48.784   2.925   9.224
  115   2HD2  ASN  16          2HD2      ASN  16  49.187   4.608   9.098
  116    H    GLY  17           H        GLY  17  49.109   2.893   4.537
  117   1HA   GLY  17          1HA       GLY  17  51.417   2.795   2.948
  118   2HA   GLY  17          2HA       GLY  17  50.211   4.074   2.899
  119    H    HIS  18           H        HIS  18  50.727   4.561   5.824
  120    HA   HIS  18           HA       HIS  18  53.159   6.165   5.535
  121   1HB   HIS  18          1HB       HIS  18  50.939   6.200   7.588
  122   2HB   HIS  18          2HB       HIS  18  52.396   7.176   7.718
  123    HD1  HIS  18           HD1      HIS  18  49.085   7.048   6.090
  124    HD2  HIS  18           HD2      HIS  18  52.603   9.240   5.752
  125    HE1  HIS  18           HE1      HIS  18  48.485   9.089   4.751
  126    HE2  HIS  18           HE2      HIS  18  50.586  10.488   4.726
  127    H    ALA  19           H        ALA  19  54.977   5.205   6.164
  128    HA   ALA  19           HA       ALA  19  54.928   3.254   8.337
  129   1HB   ALA  19          1HB       ALA  19  57.213   4.191   6.589
  130   2HB   ALA  19          2HB       ALA  19  56.269   2.719   6.361
  131   3HB   ALA  19          3HB       ALA  19  57.294   2.895   7.784
  132    H    ARG  20           H        ARG  20  55.690   3.697  10.365
  133    HA   ARG  20           HA       ARG  20  56.090   6.540  10.877
  134   1HB   ARG  20          1HB       ARG  20  55.631   4.267  12.821
  135   2HB   ARG  20          2HB       ARG  20  55.765   5.963  13.258
  136   1HG   ARG  20          1HG       ARG  20  53.504   5.765  13.223
  137   2HG   ARG  20          2HG       ARG  20  53.774   6.197  11.533
  138   1HD   ARG  20          1HD       ARG  20  52.220   4.299  11.791
  139   2HD   ARG  20          2HD       ARG  20  53.672   3.868  10.886
  140    HE   ARG  20           HE       ARG  20  54.502   2.758  12.882
  141   1HH1  ARG  20          1HH1      ARG  20  51.069   3.546  12.846
  142   2HH1  ARG  20          2HH1      ARG  20  50.682   2.385  14.080
  143   1HH2  ARG  20          1HH2      ARG  20  54.001   1.275  14.468
  144   2HH2  ARG  20          2HH2      ARG  20  52.353   1.085  15.020
  145    H    CYS  21           H        CYS  21  58.095   7.281  10.920
  146    HA   CYS  21           HA       CYS  21  60.321   5.574  11.584
  147   1HB   CYS  21          1HB       CYS  21  60.345   7.553   9.942
  148   2HB   CYS  21          2HB       CYS  21  60.337   8.593  11.359
  149    H    ARG  22           H        ARG  22  60.030   4.867  13.656
  150    HA   ARG  22           HA       ARG  22  58.858   6.653  15.596
  151   1HB   ARG  22          1HB       ARG  22  58.055   4.343  15.347
  152   2HB   ARG  22          2HB       ARG  22  59.633   3.741  15.831
  153   1HG   ARG  22          1HG       ARG  22  59.331   4.335  18.034
  154   2HG   ARG  22          2HG       ARG  22  58.132   5.570  17.647
  155   1HD   ARG  22          1HD       ARG  22  57.189   3.544  18.744
  156   2HD   ARG  22          2HD       ARG  22  56.479   3.913  17.175
  157    HE   ARG  22           HE       ARG  22  57.774   2.094  16.231
  158   1HH1  ARG  22          1HH1      ARG  22  57.574   2.222  19.735
  159   2HH1  ARG  22          2HH1      ARG  22  57.919   0.530  19.946
  160   1HH2  ARG  22          1HH2      ARG  22  58.191  -0.116  16.498
  161   2HH2  ARG  22          2HH2      ARG  22  58.251  -0.815  18.086
  162    H    SER  23           H        SER  23  59.692   7.208  17.569
  163    HA   SER  23           HA       SER  23  61.231   7.871  19.084
  164   1HB   SER  23          1HB       SER  23  63.097   5.877  17.775
  165   2HB   SER  23          2HB       SER  23  63.366   6.683  19.320
  166    HG   SER  23           HG       SER  23  62.502   4.686  19.762
  167    H    CYS  24           H        CYS  24  61.706   8.059  15.745
  168    HA   CYS  24           HA       CYS  24  63.820  10.053  15.960
  169   1HB   CYS  24          1HB       CYS  24  62.391   9.013  13.505
  170   2HB   CYS  24          2HB       CYS  24  63.830  10.029  13.522
  171    H    GLY  25           H        GLY  25  60.388   9.807  15.582
  172   1HA   GLY  25          1HA       GLY  25  58.890  11.554  16.069
  173   2HA   GLY  25          2HA       GLY  25  60.184  12.712  15.801
  174    H    GLU  26           H        GLU  26  60.555  10.858  13.253
  175    HA   GLU  26           HA       GLU  26  58.915  12.601  11.569
  176   1HB   GLU  26          1HB       GLU  26  61.258  10.822  10.859
  177   2HB   GLU  26          2HB       GLU  26  60.417  11.889   9.743
  178   1HG   GLU  26          1HG       GLU  26  61.921  12.784  12.194
  179   2HG   GLU  26          2HG       GLU  26  62.548  12.812  10.547
  180    H    PHE  27           H        PHE  27  58.274  11.468   9.410
  181    HA   PHE  27           HA       PHE  27  57.552   8.665   9.802
  182   1HB   PHE  27          1HB       PHE  27  55.266   8.962   9.175
  183   2HB   PHE  27          2HB       PHE  27  55.584  10.139  10.442
  184    HD1  PHE  27           HD1      PHE  27  55.979  12.542   9.792
  185    HD2  PHE  27           HD2      PHE  27  54.524   9.622   7.058
  186    HE1  PHE  27           HE1      PHE  27  55.168  14.333   8.315
  187    HE2  PHE  27           HE2      PHE  27  53.713  11.410   5.576
  188    HZ   PHE  27           HZ       PHE  27  54.036  13.766   6.203
  189    H    ILE  28           H        ILE  28  57.206   7.536   7.810
  190    HA   ILE  28           HA       ILE  28  58.132   8.997   5.423
  191    HB   ILE  28           HB       ILE  28  58.929   6.171   6.162
  192   1HG1  ILE  28          1HG1      ILE  28  60.618   8.685   6.105
  193   2HG1  ILE  28          2HG1      ILE  28  60.048   7.886   7.566
  194   1HG2  ILE  28          1HG2      ILE  28  59.744   7.932   3.852
  195   2HG2  ILE  28          2HG2      ILE  28  58.726   6.494   3.765
  196   3HG2  ILE  28          3HG2      ILE  28  60.425   6.347   4.215
  197   1HD1  ILE  28          1HD1      ILE  28  62.365   7.334   7.109
  198   2HD1  ILE  28          2HD1      ILE  28  61.918   6.704   5.523
  199   3HD1  ILE  28          3HD1      ILE  28  61.343   5.902   6.985
  200    H    GLU  29           H        GLU  29  56.531   8.980   3.968
  201    HA   GLU  29           HA       GLU  29  54.520   6.901   4.031
  202   1HB   GLU  29          1HB       GLU  29  53.973   9.284   3.475
  203   2HB   GLU  29          2HB       GLU  29  54.878   9.095   1.978
  204   1HG   GLU  29          1HG       GLU  29  53.348   7.310   1.290
  205   2HG   GLU  29          2HG       GLU  29  52.433   7.531   2.779
  206    H    MET  30           H        MET  30  54.248   5.280   2.526
  207    HA   MET  30           HA       MET  30  56.671   4.708   0.973
  208   1HB   MET  30          1HB       MET  30  54.474   2.749   1.620
  209   2HB   MET  30          2HB       MET  30  56.132   2.407   1.139
  210   1HG   MET  30          1HG       MET  30  56.892   3.414   3.285
  211   2HG   MET  30          2HG       MET  30  55.202   3.545   3.764
  212   1HE   MET  30          1HE       MET  30  58.323   1.332   3.535
  213   2HE   MET  30          2HE       MET  30  57.515   0.842   2.049
  214   3HE   MET  30          3HE       MET  30  57.679  -0.302   3.380
  215    H    LYS  31           H        LYS  31  56.611   4.369  -1.189
  216    HA   LYS  31           HA       LYS  31  54.146   5.186  -2.540
  217   1HB   LYS  31          1HB       LYS  31  56.442   6.234  -2.970
  218   2HB   LYS  31          2HB       LYS  31  56.851   4.738  -3.793
  219   1HG   LYS  31          1HG       LYS  31  55.087   5.097  -5.402
  220   2HG   LYS  31          2HG       LYS  31  54.570   6.550  -4.543
  221   1HD   LYS  31          1HD       LYS  31  56.841   7.507  -4.948
  222   2HD   LYS  31          2HD       LYS  31  57.197   6.104  -5.957
  223   1HE   LYS  31          1HE       LYS  31  54.922   8.028  -6.421
  224   2HE   LYS  31          2HE       LYS  31  56.478   8.100  -7.245
  225   1HZ   LYS  31          1HZ       LYS  31  56.062   5.965  -8.224
  226   2HZ   LYS  31          2HZ       LYS  31  54.744   6.983  -8.548
  227   3HZ   LYS  31          3HZ       LYS  31  54.615   5.785  -7.351
  228    H    ALA  32           H        ALA  32  52.929   3.798  -3.706
  229    HA   ALA  32           HA       ALA  32  53.665   0.982  -3.520
  230   1HB   ALA  32          1HB       ALA  32  51.320   0.540  -4.035
  231   2HB   ALA  32          2HB       ALA  32  51.048   2.264  -4.296
  232   3HB   ALA  32          3HB       ALA  32  51.480   1.671  -2.692
  233    H    LEU  33           H        LEU  33  54.790   0.162  -5.156
  234    HA   LEU  33           HA       LEU  33  53.947   0.824  -7.908
  235   1HB   LEU  33          1HB       LEU  33  56.679  -0.043  -6.944
  236   2HB   LEU  33          2HB       LEU  33  56.242   0.284  -8.608
  237    HG   LEU  33           HG       LEU  33  56.251   2.334  -6.391
  238   1HD1  LEU  33          1HD1      LEU  33  58.193   1.886  -8.654
  239   2HD1  LEU  33          2HD1      LEU  33  58.504   1.584  -6.945
  240   3HD1  LEU  33          3HD1      LEU  33  58.228   3.231  -7.514
  241   1HD2  LEU  33          1HD2      LEU  33  54.619   2.815  -8.137
  242   2HD2  LEU  33          2HD2      LEU  33  55.868   2.624  -9.367
  243   3HD2  LEU  33          3HD2      LEU  33  55.971   3.946  -8.204
  244    H    CYS  34           H        CYS  34  54.181  -0.917  -9.474
  245    HA   CYS  34           HA       CYS  34  53.815  -3.583  -8.296
  246   1HB   CYS  34          1HB       CYS  34  52.103  -2.845  -9.899
  247   2HB   CYS  34          2HB       CYS  34  53.343  -2.588 -11.118
  248    HA   PRO  35           HA       PRO  35  58.180  -4.118  -8.935
  249   1HB   PRO  35          1HB       PRO  35  57.472  -6.998  -8.774
  250   2HB   PRO  35          2HB       PRO  35  58.663  -6.075  -7.853
  251   1HG   PRO  35          1HG       PRO  35  56.355  -6.818  -6.750
  252   2HG   PRO  35          2HG       PRO  35  57.080  -5.243  -6.387
  253   1HD   PRO  35          1HD       PRO  35  54.765  -5.906  -8.146
  254   2HD   PRO  35          2HD       PRO  35  55.025  -4.493  -7.103
  255    H    ASP  36           H        ASP  36  55.799  -5.826 -10.866
  256    HA   ASP  36           HA       ASP  36  57.732  -7.023 -12.609
  257   1HB   ASP  36          1HB       ASP  36  55.989  -8.181 -13.507
  258   2HB   ASP  36          2HB       ASP  36  55.206  -7.681 -12.014
  259    H    CYS  37           H        CYS  37  56.165  -3.963 -12.501
  260    HA   CYS  37           HA       CYS  37  57.191  -3.356 -15.190
  261   1HB   CYS  37          1HB       CYS  37  55.083  -1.861 -15.392
  262   2HB   CYS  37          2HB       CYS  37  54.937  -3.592 -15.671
  263    H    HIS  38           H        HIS  38  56.838  -2.396 -11.944
  264    HA   HIS  38           HA       HIS  38  57.706  -0.723 -10.724
  265   1HB   HIS  38          1HB       HIS  38  59.032   0.066 -13.313
  266   2HB   HIS  38          2HB       HIS  38  59.287   0.923 -11.798
  267    HD1  HIS  38           HD1      HIS  38  59.906  -1.073  -9.758
  268    HD2  HIS  38           HD2      HIS  38  61.074  -1.629 -13.722
  269    HE1  HIS  38           HE1      HIS  38  61.800  -2.720  -9.690
  270    HE2  HIS  38           HE2      HIS  38  62.595  -2.921 -12.069
  271    H    GLN  39           H        GLN  39  55.388  -0.311 -13.010
  272    HA   GLN  39           HA       GLN  39  54.988   2.516 -12.740
  273   1HB   GLN  39          1HB       GLN  39  52.888   2.159 -13.829
  274   2HB   GLN  39          2HB       GLN  39  54.056   1.094 -14.605
  275   1HG   GLN  39          1HG       GLN  39  53.239  -0.779 -13.292
  276   2HG   GLN  39          2HG       GLN  39  52.088   0.280 -12.482
  277   1HE2  GLN  39          1HE2      GLN  39  51.509   1.760 -14.947
  278   2HE2  GLN  39          2HE2      GLN  39  50.493   0.717 -15.876
  279    HA   PRO  40           HA       PRO  40  52.908   2.692  -8.820
  280   1HB   PRO  40          1HB       PRO  40  50.860   4.443 -10.015
  281   2HB   PRO  40          2HB       PRO  40  52.022   4.787  -8.731
  282   1HG   PRO  40          1HG       PRO  40  52.281   5.854 -11.173
  283   2HG   PRO  40          2HG       PRO  40  53.693   5.366 -10.216
  284   1HD   PRO  40          1HD       PRO  40  52.362   3.944 -12.492
  285   2HD   PRO  40          2HD       PRO  40  54.093   4.155 -12.152
  286    H    LEU  41           H        LEU  41  51.144   1.877  -7.710
  287    HA   LEU  41           HA       LEU  41  49.305   0.239  -9.272
  288   1HB   LEU  41          1HB       LEU  41  49.930   0.397  -6.332
  289   2HB   LEU  41          2HB       LEU  41  48.605  -0.562  -6.963
  290    HG   LEU  41           HG       LEU  41  51.515  -0.949  -7.672
  291   1HD1  LEU  41          1HD1      LEU  41  51.045  -1.563  -5.360
  292   2HD1  LEU  41          2HD1      LEU  41  51.346  -2.992  -6.349
  293   3HD1  LEU  41          3HD1      LEU  41  49.698  -2.567  -5.894
  294   1HD2  LEU  41          1HD2      LEU  41  50.699  -3.041  -8.693
  295   2HD2  LEU  41          2HD2      LEU  41  50.063  -1.600  -9.487
  296   3HD2  LEU  41          3HD2      LEU  41  49.044  -2.521  -8.381
  297    H    GLN  42           H        GLN  42  47.119   0.499  -9.306
  298    HA   GLN  42           HA       GLN  42  46.100   3.057  -8.409
  299   1HB   GLN  42          1HB       GLN  42  45.485   2.120 -10.630
  300   2HB   GLN  42          2HB       GLN  42  44.663   0.797  -9.815
  301   1HG   GLN  42          1HG       GLN  42  43.054   2.284  -8.871
  302   2HG   GLN  42          2HG       GLN  42  43.948   3.693  -9.445
  303   1HE2  GLN  42          1HE2      GLN  42  41.880   1.051 -10.339
  304   2HE2  GLN  42          2HE2      GLN  42  41.464   1.642 -11.906
  305    H    VAL  43           H        VAL  43  45.645   3.215  -6.330
  306    HA   VAL  43           HA       VAL  43  45.002   0.901  -4.741
  307    HB   VAL  43           HB       VAL  43  45.082   3.820  -3.949
  308   1HG1  VAL  43          1HG1      VAL  43  45.316   2.967  -1.659
  309   2HG1  VAL  43          2HG1      VAL  43  45.102   1.322  -2.258
  310   3HG1  VAL  43          3HG1      VAL  43  43.782   2.483  -2.387
  311   1HG2  VAL  43          1HG2      VAL  43  47.235   3.055  -4.803
  312   2HG2  VAL  43          2HG2      VAL  43  47.197   1.680  -3.698
  313   3HG2  VAL  43          3HG2      VAL  43  47.307   3.321  -3.062
  314    H    LEU  44           H        LEU  44  43.023   0.087  -4.793
  315    HA   LEU  44           HA       LEU  44  40.727   1.821  -5.259
  316   1HB   LEU  44          1HB       LEU  44  40.753  -1.166  -4.851
  317   2HB   LEU  44          2HB       LEU  44  39.459  -0.200  -5.533
  318    HG   LEU  44           HG       LEU  44  42.138  -0.763  -6.800
  319   1HD1  LEU  44          1HD1      LEU  44  40.806  -1.921  -8.486
  320   2HD1  LEU  44          2HD1      LEU  44  39.340  -1.581  -7.565
  321   3HD1  LEU  44          3HD1      LEU  44  40.584  -2.635  -6.889
  322   1HD2  LEU  44          1HD2      LEU  44  41.418   1.504  -7.281
  323   2HD2  LEU  44          2HD2      LEU  44  39.842   0.908  -7.799
  324   3HD2  LEU  44          3HD2      LEU  44  41.289   0.485  -8.716
  325    H    LYS  45           H        LYS  45  39.250   2.342  -3.761
  326    HA   LYS  45           HA       LYS  45  39.625   1.249  -1.059
  327   1HB   LYS  45          1HB       LYS  45  39.982   3.698  -1.305
  328   2HB   LYS  45          2HB       LYS  45  38.325   3.858  -1.867
  329   1HG   LYS  45          1HG       LYS  45  37.484   3.125   0.269
  330   2HG   LYS  45          2HG       LYS  45  39.126   2.818   0.840
  331   1HD   LYS  45          1HD       LYS  45  39.662   5.180   0.616
  332   2HD   LYS  45          2HD       LYS  45  38.044   5.501  -0.011
  333   1HE   LYS  45          1HE       LYS  45  37.073   4.789   2.109
  334   2HE   LYS  45          2HE       LYS  45  38.682   4.427   2.734
  335   1HZ   LYS  45          1HZ       LYS  45  37.788   7.114   1.843
  336   2HZ   LYS  45          2HZ       LYS  45  39.270   6.732   2.578
  337   3HZ   LYS  45          3HZ       LYS  45  37.828   6.601   3.461
  338    H    ALA  46           H        ALA  46  38.303  -0.465  -1.004
  339    HA   ALA  46           HA       ALA  46  35.578  -0.182  -2.066
  340   1HB   ALA  46          1HB       ALA  46  37.142  -2.676  -1.405
  341   2HB   ALA  46          2HB       ALA  46  36.908  -1.999  -3.017
  342   3HB   ALA  46          3HB       ALA  46  35.529  -2.624  -2.112
  343    H    CYS  47           H        CYS  47  34.480  -2.376  -0.640
  344    HA   CYS  47           HA       CYS  47  33.692  -0.975   1.729
  345   1HB   CYS  47          1HB       CYS  47  32.122  -2.338   0.372
  346   2HB   CYS  47          2HB       CYS  47  33.007  -3.786   0.837
  347    HG   CYS  47           HG       CYS  47  30.408  -3.087   2.194
  348    H    GLY  48           H        GLY  48  35.603  -0.824   2.934
  349   1HA   GLY  48          1HA       GLY  48  36.856  -1.462   4.765
  350   2HA   GLY  48          2HA       GLY  48  36.016  -3.005   4.750
  351    H    ALA  49           H        ALA  49  37.320  -2.270   1.740
  352    HA   ALA  49           HA       ALA  49  39.697  -3.909   2.301
  353   1HB   ALA  49          1HB       ALA  49  39.351  -5.097   0.204
  354   2HB   ALA  49          2HB       ALA  49  37.878  -4.174  -0.089
  355   3HB   ALA  49          3HB       ALA  49  37.962  -5.292   1.273
  356    H    VAL  50           H        VAL  50  41.546  -3.265   1.387
  357    HA   VAL  50           HA       VAL  50  41.457  -1.042  -0.539
  358    HB   VAL  50           HB       VAL  50  43.770  -1.959   1.191
  359   1HG1  VAL  50          1HG1      VAL  50  44.532  -0.995  -0.908
  360   2HG1  VAL  50          2HG1      VAL  50  44.876   0.095   0.437
  361   3HG1  VAL  50          3HG1      VAL  50  43.519   0.425  -0.641
  362   1HG2  VAL  50          1HG2      VAL  50  43.427   0.147   2.406
  363   2HG2  VAL  50          2HG2      VAL  50  42.029  -0.919   2.524
  364   3HG2  VAL  50          3HG2      VAL  50  41.991   0.464   1.430
  365    H    ASP  51           H        ASP  51  41.720  -1.681  -2.599
  366    HA   ASP  51           HA       ASP  51  43.037  -4.285  -3.028
  367   1HB   ASP  51          1HB       ASP  51  40.560  -4.051  -3.536
  368   2HB   ASP  51          2HB       ASP  51  41.014  -2.963  -4.840
  369    H    TYR  52           H        TYR  52  44.882  -4.278  -4.130
  370    HA   TYR  52           HA       TYR  52  45.712  -1.786  -5.402
  371   1HB   TYR  52          1HB       TYR  52  47.332  -4.277  -4.823
  372   2HB   TYR  52          2HB       TYR  52  47.964  -2.735  -5.392
  373    HD1  TYR  52           HD1      TYR  52  47.874  -0.744  -3.884
  374    HD2  TYR  52           HD2      TYR  52  46.903  -4.656  -2.526
  375    HE1  TYR  52           HE1      TYR  52  48.145   0.001  -1.557
  376    HE2  TYR  52           HE2      TYR  52  47.170  -3.922  -0.197
  377    HH   TYR  52           HH       TYR  52  47.368  -0.658   0.682
  378    H    PHE  53           H        PHE  53  45.038  -1.614  -7.429
  379    HA   PHE  53           HA       PHE  53  44.974  -4.036  -9.087
  380   1HB   PHE  53          1HB       PHE  53  42.821  -2.873  -8.742
  381   2HB   PHE  53          2HB       PHE  53  43.506  -1.415  -9.449
  382    HD1  PHE  53           HD1      PHE  53  42.507  -1.013 -11.464
  383    HD2  PHE  53           HD2      PHE  53  43.609  -5.000 -10.477
  384    HE1  PHE  53           HE1      PHE  53  41.791  -1.759 -13.692
  385    HE2  PHE  53           HE2      PHE  53  42.898  -5.759 -12.701
  386    HZ   PHE  53           HZ       PHE  53  41.986  -4.136 -14.320
  387    H    CYS  54           H        CYS  54  46.640  -4.243 -10.402
  388    HA   CYS  54           HA       CYS  54  48.014  -1.882 -11.412
  389   1HB   CYS  54          1HB       CYS  54  49.338  -3.822 -10.602
  390   2HB   CYS  54          2HB       CYS  54  48.621  -4.815 -11.866
  391    H    GLN  55           H        GLN  55  46.483  -1.012 -12.799
  392    HA   GLN  55           HA       GLN  55  45.226  -2.636 -14.809
  393   1HB   GLN  55          1HB       GLN  55  44.188  -0.596 -13.724
  394   2HB   GLN  55          2HB       GLN  55  45.294   0.379 -14.686
  395   1HG   GLN  55          1HG       GLN  55  44.326  -0.445 -16.724
  396   2HG   GLN  55          2HG       GLN  55  43.304  -1.568 -15.826
  397   1HE2  GLN  55          1HE2      GLN  55  41.399  -0.757 -16.577
  398   2HE2  GLN  55          2HE2      GLN  55  40.794   0.806 -16.135
  399    H    HIS  56           H        HIS  56  46.708  -3.492 -16.111
  400    HA   HIS  56           HA       HIS  56  47.863  -2.038 -18.227
  401   1HB   HIS  56          1HB       HIS  56  49.300  -1.378 -16.175
  402   2HB   HIS  56          2HB       HIS  56  49.912  -3.021 -16.239
  403    HD1  HIS  56           HD1      HIS  56  49.360  -1.333 -19.523
  404    HD2  HIS  56           HD2      HIS  56  52.461  -1.867 -16.779
  405    HE1  HIS  56           HE1      HIS  56  51.465  -0.698 -20.736
  406    HE2  HIS  56           HE2      HIS  56  53.337  -1.177 -19.117
  407    H    GLY  57           H        GLY  57  46.374  -4.463 -17.422
  408   1HA   GLY  57          1HA       GLY  57  46.161  -6.635 -18.112
  409   2HA   GLY  57          2HA       GLY  57  47.549  -6.369 -19.156
  410    H    HIS  58           H        HIS  58  47.301  -6.232 -15.597
  411    HA   HIS  58           HA       HIS  58  49.251  -8.438 -15.514
  412   1HB   HIS  58          1HB       HIS  58  49.192  -5.965 -13.770
  413   2HB   HIS  58          2HB       HIS  58  50.176  -7.382 -13.421
  414    HD2  HIS  58           HD2      HIS  58  50.691  -7.338 -16.971
  415    HE1  HIS  58           HE1      HIS  58  53.249  -4.210 -15.724
  416    HE2  HIS  58           HE2      HIS  58  52.770  -5.910 -17.507
  417    H    GLY  59           H        GLY  59  47.194  -6.667 -13.177
  418   1HA   GLY  59          1HA       GLY  59  45.170  -8.176 -12.585
  419   2HA   GLY  59          2HA       GLY  59  46.436  -9.270 -12.050
  420    H    LEU  60           H        LEU  60  45.414  -9.142  -9.963
  421    HA   LEU  60           HA       LEU  60  45.579  -6.592  -8.564
  422   1HB   LEU  60          1HB       LEU  60  44.525  -9.288  -7.711
  423   2HB   LEU  60          2HB       LEU  60  44.485  -7.846  -6.716
  424    HG   LEU  60           HG       LEU  60  43.073  -8.168  -9.364
  425   1HD1  LEU  60          1HD1      LEU  60  41.997  -8.154  -6.551
  426   2HD1  LEU  60          2HD1      LEU  60  42.088  -9.553  -7.622
  427   3HD1  LEU  60          3HD1      LEU  60  41.034  -8.198  -8.028
  428   1HD2  LEU  60          1HD2      LEU  60  43.791  -5.863  -8.848
  429   2HD2  LEU  60          2HD2      LEU  60  42.907  -5.954  -7.325
  430   3HD2  LEU  60          3HD2      LEU  60  42.037  -6.050  -8.856
  431    H    ILE  61           H        ILE  61  46.890  -6.162  -6.865
  432    HA   ILE  61           HA       ILE  61  49.080  -8.086  -6.395
  433    HB   ILE  61           HB       ILE  61  49.173  -5.071  -6.143
  434   1HG1  ILE  61          1HG1      ILE  61  48.933  -5.735  -8.489
  435   2HG1  ILE  61          2HG1      ILE  61  50.545  -5.103  -8.182
  436   1HG2  ILE  61          1HG2      ILE  61  51.370  -7.130  -6.019
  437   2HG2  ILE  61          2HG2      ILE  61  50.732  -6.199  -4.663
  438   3HG2  ILE  61          3HG2      ILE  61  51.595  -5.382  -5.967
  439   1HD1  ILE  61          1HD1      ILE  61  49.806  -8.010  -8.411
  440   2HD1  ILE  61          2HD1      ILE  61  51.424  -7.376  -8.110
  441   3HD1  ILE  61          3HD1      ILE  61  50.614  -7.039  -9.641
  442    H    SER  62           H        SER  62  49.346  -8.791  -4.330
  443    HA   SER  62           HA       SER  62  47.626  -7.726  -2.264
  444   1HB   SER  62          1HB       SER  62  48.033 -10.174  -2.480
  445   2HB   SER  62          2HB       SER  62  49.726  -9.903  -2.069
  446    HG   SER  62           HG       SER  62  47.695 -10.268  -0.418
  447    H    LYS  63           H        LYS  63  48.542  -7.215  -0.110
  448    HA   LYS  63           HA       LYS  63  50.050  -4.928  -0.164
  449   1HB   LYS  63          1HB       LYS  63  48.689  -5.489   1.738
  450   2HB   LYS  63          2HB       LYS  63  49.662  -6.911   2.078
  451   1HG   LYS  63          1HG       LYS  63  50.274  -5.293   3.671
  452   2HG   LYS  63          2HG       LYS  63  51.592  -5.356   2.503
  453   1HD   LYS  63          1HD       LYS  63  51.323  -3.086   2.765
  454   2HD   LYS  63          2HD       LYS  63  50.297  -3.395   1.364
  455   1HE   LYS  63          1HE       LYS  63  49.252  -3.340   4.188
  456   2HE   LYS  63          2HE       LYS  63  49.327  -1.907   3.167
  457   1HZ   LYS  63          1HZ       LYS  63  47.143  -2.934   3.109
  458   2HZ   LYS  63          2HZ       LYS  63  47.804  -4.388   2.543
  459   3HZ   LYS  63          3HZ       LYS  63  47.874  -2.991   1.583
  460    H    LYS  64           H        LYS  64  51.228  -8.218   0.430
  461    HA   LYS  64           HA       LYS  64  53.851  -7.328   1.149
  462   1HB   LYS  64          1HB       LYS  64  52.745 -10.068   0.552
  463   2HB   LYS  64          2HB       LYS  64  54.400  -9.777   1.072
  464   1HG   LYS  64          1HG       LYS  64  53.561  -8.771   3.143
  465   2HG   LYS  64          2HG       LYS  64  51.907  -9.104   2.623
  466   1HD   LYS  64          1HD       LYS  64  52.304 -11.467   2.671
  467   2HD   LYS  64          2HD       LYS  64  54.026 -11.219   2.970
  468   1HE   LYS  64          1HE       LYS  64  53.467 -10.156   5.124
  469   2HE   LYS  64          2HE       LYS  64  51.763 -10.493   4.825
  470   1HZ   LYS  64          1HZ       LYS  64  53.875 -12.572   4.985
  471   2HZ   LYS  64          2HZ       LYS  64  52.200 -12.830   4.866
  472   3HZ   LYS  64          3HZ       LYS  64  52.857 -12.144   6.273
  473    H    ARG  65           H        ARG  65  52.303  -8.079  -1.830
  474    HA   ARG  65           HA       ARG  65  54.787  -8.669  -3.205
  475   1HB   ARG  65          1HB       ARG  65  52.761  -9.871  -3.869
  476   2HB   ARG  65          2HB       ARG  65  51.970  -8.352  -4.267
  477   1HG   ARG  65          1HG       ARG  65  53.646  -7.962  -6.025
  478   2HG   ARG  65          2HG       ARG  65  54.379  -9.521  -5.647
  479   1HD   ARG  65          1HD       ARG  65  51.483  -9.272  -6.395
  480   2HD   ARG  65          2HD       ARG  65  52.742  -9.398  -7.617
  481    HE   ARG  65           HE       ARG  65  52.986 -11.487  -5.708
  482   1HH1  ARG  65          1HH1      ARG  65  50.991 -10.450  -8.394
  483   2HH1  ARG  65          2HH1      ARG  65  50.598 -12.065  -8.896
  484   1HH2  ARG  65          1HH2      ARG  65  52.463 -13.626  -6.386
  485   2HH2  ARG  65          2HH2      ARG  65  51.422 -13.852  -7.759
  486    H    VAL  66           H        VAL  66  52.890  -5.929  -2.446
  487    HA   VAL  66           HA       VAL  66  53.391  -4.278  -4.663
  488    HB   VAL  66           HB       VAL  66  53.009  -3.421  -1.788
  489   1HG1  VAL  66          1HG1      VAL  66  52.601  -1.906  -4.363
  490   2HG1  VAL  66          2HG1      VAL  66  53.886  -1.633  -3.186
  491   3HG1  VAL  66          3HG1      VAL  66  52.207  -1.317  -2.748
  492   1HG2  VAL  66          1HG2      VAL  66  50.644  -3.165  -2.374
  493   2HG2  VAL  66          2HG2      VAL  66  51.177  -4.839  -2.530
  494   3HG2  VAL  66          3HG2      VAL  66  50.970  -3.841  -3.970
  495    H    GLU  67           H        GLU  67  55.090  -3.073  -5.277
  496    HA   GLU  67           HA       GLU  67  57.575  -3.292  -3.798
  497   1HB   GLU  67          1HB       GLU  67  57.600  -3.514  -6.241
  498   2HB   GLU  67          2HB       GLU  67  56.913  -1.907  -6.411
  499   1HG   GLU  67          1HG       GLU  67  58.903  -0.890  -5.585
  500   2HG   GLU  67          2HG       GLU  67  59.578  -2.452  -5.125
  501    H    PHE  68           H        PHE  68  57.742  -1.998  -2.078
  502    HA   PHE  68           HA       PHE  68  56.561   0.676  -2.200
  503   1HB   PHE  68          1HB       PHE  68  57.528  -0.979   0.127
  504   2HB   PHE  68          2HB       PHE  68  57.007   0.693   0.275
  505    HD1  PHE  68           HD1      PHE  68  55.997  -2.699   0.325
  506    HD2  PHE  68           HD2      PHE  68  54.620   1.240  -0.513
  507    HE1  PHE  68           HE1      PHE  68  53.674  -3.448   0.634
  508    HE2  PHE  68           HE2      PHE  68  52.295   0.497  -0.208
  509    HZ   PHE  68           HZ       PHE  68  51.820  -1.850   0.369
  510    H    VAL  69           H        VAL  69  57.862   2.255  -2.810
  511    HA   VAL  69           HA       VAL  69  60.643   2.217  -1.846
  512    HB   VAL  69           HB       VAL  69  61.117   3.954  -3.545
  513   1HG1  VAL  69          1HG1      VAL  69  59.910   1.418  -4.645
  514   2HG1  VAL  69          2HG1      VAL  69  61.558   1.618  -4.052
  515   3HG1  VAL  69          3HG1      VAL  69  61.033   2.475  -5.501
  516   1HG2  VAL  69          1HG2      VAL  69  59.492   4.385  -5.332
  517   2HG2  VAL  69          2HG2      VAL  69  58.894   4.918  -3.760
  518   3HG2  VAL  69          3HG2      VAL  69  58.295   3.418  -4.469
  519    H    LEU  70           H        LEU  70  61.488   4.501  -1.352
  520    HA   LEU  70           HA       LEU  70  59.710   5.524   0.692
  521   1HB   LEU  70          1HB       LEU  70  62.504   6.394  -0.049
  522   2HB   LEU  70          2HB       LEU  70  61.630   6.861   1.397
  523    HG   LEU  70           HG       LEU  70  62.565   4.071   0.717
  524   1HD1  LEU  70          1HD1      LEU  70  64.385   5.562   1.343
  525   2HD1  LEU  70          2HD1      LEU  70  64.081   4.373   2.609
  526   3HD1  LEU  70          3HD1      LEU  70  63.513   6.032   2.803
  527   1HD2  LEU  70          1HD2      LEU  70  60.471   4.023   1.957
  528   2HD2  LEU  70          2HD2      LEU  70  61.146   5.112   3.167
  529   3HD2  LEU  70          3HD2      LEU  70  61.810   3.490   2.973
  530    H    ALA  71           H        ALA  71  58.391   7.195   0.447
  531    HA   ALA  71           HA       ALA  71  58.539   8.856  -1.911
  532   1HB   ALA  71          1HB       ALA  71  56.657   8.986   0.445
  533   2HB   ALA  71          2HB       ALA  71  56.365   8.131  -1.069
  534   3HB   ALA  71          3HB       ALA  71  56.493   9.889  -1.060
  Start of MODEL    4
    1    H    MET   1           H        MET   1  65.605 -10.524  11.437
    2    HA   MET   1           HA       MET   1  66.008  -9.018  13.303
    3   1HB   MET   1          1HB       MET   1  67.536  -9.082  11.360
    4   2HB   MET   1          2HB       MET   1  66.576  -7.840  10.570
    5   1HG   MET   1          1HG       MET   1  67.140  -6.261  12.337
    6   2HG   MET   1          2HG       MET   1  68.072  -7.509  13.162
    7   1HE   MET   1          1HE       MET   1  67.810  -5.248   9.954
    8   2HE   MET   1          2HE       MET   1  67.867  -6.878   9.279
    9   3HE   MET   1          3HE       MET   1  69.223  -5.777   9.039
   10    H    GLU   2           H        GLU   2  65.678  -7.034  14.278
   11    HA   GLU   2           HA       GLU   2  63.138  -5.883  14.058
   12   1HB   GLU   2          1HB       GLU   2  65.673  -4.792  15.290
   13   2HB   GLU   2          2HB       GLU   2  64.068  -4.114  15.544
   14   1HG   GLU   2          1HG       GLU   2  63.447  -5.755  16.956
   15   2HG   GLU   2          2HG       GLU   2  64.345  -6.995  16.083
   16    H    LEU   3           H        LEU   3  62.359  -4.067  13.082
   17    HA   LEU   3           HA       LEU   3  63.703  -3.314  10.656
   18   1HB   LEU   3          1HB       LEU   3  61.137  -2.253  11.842
   19   2HB   LEU   3          2HB       LEU   3  61.682  -2.033  10.190
   20    HG   LEU   3           HG       LEU   3  60.962  -4.687  11.441
   21   1HD1  LEU   3          1HD1      LEU   3  58.998  -4.590   9.987
   22   2HD1  LEU   3          2HD1      LEU   3  59.457  -2.966   9.478
   23   3HD1  LEU   3          3HD1      LEU   3  59.010  -3.270  11.158
   24   1HD2  LEU   3          1HD2      LEU   3  61.646  -3.956   8.596
   25   2HD2  LEU   3          2HD2      LEU   3  61.108  -5.541   9.154
   26   3HD2  LEU   3          3HD2      LEU   3  62.654  -4.891   9.699
   27    H    HIS   4           H        HIS   4  64.937  -1.595  10.311
   28    HA   HIS   4           HA       HIS   4  64.862   0.604  12.268
   29   1HB   HIS   4          1HB       HIS   4  67.328  -0.529  10.929
   30   2HB   HIS   4          2HB       HIS   4  67.296   0.868  11.998
   31    HD1  HIS   4           HD1      HIS   4  67.825  -2.687  11.987
   32    HD2  HIS   4           HD2      HIS   4  66.401   0.095  14.729
   33    HE1  HIS   4           HE1      HIS   4  68.023  -3.794  14.240
   34    HE2  HIS   4           HE2      HIS   4  67.231  -2.062  15.897
   35    H    CYS   5           H        CYS   5  65.573   2.668  11.437
   36    HA   CYS   5           HA       CYS   5  64.706   3.199   8.765
   37   1HB   CYS   5          1HB       CYS   5  66.297   5.025  10.575
   38   2HB   CYS   5          2HB       CYS   5  65.293   5.498   9.214
   39    HA   PRO   6           HA       PRO   6  68.627   2.270   6.803
   40   1HB   PRO   6          1HB       PRO   6  67.562   3.896   4.582
   41   2HB   PRO   6          2HB       PRO   6  68.063   2.204   4.593
   42   1HG   PRO   6          1HG       PRO   6  65.476   2.894   4.433
   43   2HG   PRO   6          2HG       PRO   6  66.003   1.457   5.330
   44   1HD   PRO   6          1HD       PRO   6  65.206   4.152   6.362
   45   2HD   PRO   6          2HD       PRO   6  64.830   2.542   7.012
   46    H    GLN   7           H        GLN   7  67.225   5.473   6.967
   47    HA   GLN   7           HA       GLN   7  69.848   6.705   6.514
   48   1HB   GLN   7          1HB       GLN   7  67.085   7.938   6.537
   49   2HB   GLN   7          2HB       GLN   7  68.578   8.808   6.215
   50   1HG   GLN   7          1HG       GLN   7  68.953   7.416   4.234
   51   2HG   GLN   7          2HG       GLN   7  67.432   6.579   4.550
   52   1HE2  GLN   7          1HE2      GLN   7  65.497   7.622   4.141
   53   2HE2  GLN   7          2HE2      GLN   7  65.400   9.094   3.236
   54    H    CYS   8           H        CYS   8  67.027   7.495   8.520
   55    HA   CYS   8           HA       CYS   8  68.728   8.579  10.596
   56   1HB   CYS   8          1HB       CYS   8  66.502   9.173  11.642
   57   2HB   CYS   8          2HB       CYS   8  66.789   9.884  10.055
   58    H    GLN   9           H        GLN   9  69.525   6.293  10.685
   59    HA   GLN   9           HA       GLN   9  68.374   4.008  11.394
   60   1HB   GLN   9          1HB       GLN   9  70.903   5.140  12.576
   61   2HB   GLN   9          2HB       GLN   9  70.435   3.446  12.674
   62   1HG   GLN   9          1HG       GLN   9  70.535   3.219  10.289
   63   2HG   GLN   9          2HG       GLN   9  70.808   4.949  10.094
   64   1HE2  GLN   9          1HE2      GLN   9  72.722   4.596   8.979
   65   2HE2  GLN   9          2HE2      GLN   9  74.170   4.090   9.780
   66    H    HIS  10           H        HIS  10  66.764   3.660  12.662
   67    HA   HIS  10           HA       HIS  10  67.008   3.454  15.443
   68   1HB   HIS  10          1HB       HIS  10  66.457   6.047  14.867
   69   2HB   HIS  10          2HB       HIS  10  64.822   5.400  14.868
   70    HD1  HIS  10           HD1      HIS  10  66.266   7.401  16.995
   71    HD2  HIS  10           HD2      HIS  10  65.287   3.394  17.532
   72    HE1  HIS  10           HE1      HIS  10  66.034   7.082  19.482
   73    HE2  HIS  10           HE2      HIS  10  65.196   4.720  19.752
   74    H    VAL  11           H        VAL  11  64.182   3.439  16.037
   75    HA   VAL  11           HA       VAL  11  63.596   0.948  14.714
   76    HB   VAL  11           HB       VAL  11  62.016   2.455  16.802
   77   1HG1  VAL  11          1HG1      VAL  11  60.862   0.321  17.180
   78   2HG1  VAL  11          2HG1      VAL  11  61.728  -0.383  15.813
   79   3HG1  VAL  11          3HG1      VAL  11  60.587   0.937  15.549
   80   1HG2  VAL  11          1HG2      VAL  11  62.960   0.820  18.364
   81   2HG2  VAL  11          2HG2      VAL  11  64.217   1.785  17.589
   82   3HG2  VAL  11          3HG2      VAL  11  63.922   0.131  17.055
   83    H    LEU  12           H        LEU  12  62.089   0.506  13.220
   84    HA   LEU  12           HA       LEU  12  60.297   2.681  12.349
   85   1HB   LEU  12          1HB       LEU  12  62.147   0.987  10.825
   86   2HB   LEU  12          2HB       LEU  12  60.533   1.072  10.149
   87    HG   LEU  12           HG       LEU  12  62.345   3.424  10.705
   88   1HD1  LEU  12          1HD1      LEU  12  62.391   3.640   8.268
   89   2HD1  LEU  12          2HD1      LEU  12  61.427   2.171   8.120
   90   3HD1  LEU  12          3HD1      LEU  12  63.055   2.093   8.792
   91   1HD2  LEU  12          1HD2      LEU  12  59.982   3.977  11.043
   92   2HD2  LEU  12          2HD2      LEU  12  59.606   3.334   9.445
   93   3HD2  LEU  12          3HD2      LEU  12  60.631   4.760   9.602
   94    H    ASP  13           H        ASP  13  58.194   2.193  12.069
   95    HA   ASP  13           HA       ASP  13  57.413  -0.647  12.074
   96   1HB   ASP  13          1HB       ASP  13  56.646   0.489  14.130
   97   2HB   ASP  13          2HB       ASP  13  55.821   1.698  13.150
   98    H    GLN  14           H        GLN  14  56.970  -1.140  10.024
   99    HA   GLN  14           HA       GLN  14  55.737   0.936   8.346
  100   1HB   GLN  14          1HB       GLN  14  57.003  -0.127   6.445
  101   2HB   GLN  14          2HB       GLN  14  57.991   0.701   7.640
  102   1HG   GLN  14          1HG       GLN  14  58.452  -1.502   8.697
  103   2HG   GLN  14          2HG       GLN  14  57.587  -2.269   7.366
  104   1HE2  GLN  14          1HE2      GLN  14  60.383  -2.501   8.196
  105   2HE2  GLN  14          2HE2      GLN  14  61.322  -2.061   6.816
  106    H    ASP  15           H        ASP  15  54.058   0.454   7.130
  107    HA   ASP  15           HA       ASP  15  53.375  -1.901   5.887
  108   1HB   ASP  15          1HB       ASP  15  53.019  -2.449   8.500
  109   2HB   ASP  15          2HB       ASP  15  51.474  -1.670   8.180
  110    H    ASN  16           H        ASN  16  50.672  -1.821   5.813
  111    HA   ASN  16           HA       ASN  16  48.843  -0.810   5.046
  112   1HB   ASN  16          1HB       ASN  16  48.002   1.160   6.102
  113   2HB   ASN  16          2HB       ASN  16  48.824   0.183   7.305
  114   1HD2  ASN  16          1HD2      ASN  16  50.433   1.074   8.478
  115   2HD2  ASN  16          2HD2      ASN  16  51.036   2.679   8.239
  116    H    GLY  17           H        GLY  17  51.567   1.470   4.691
  117   1HA   GLY  17          1HA       GLY  17  51.574   1.769   2.018
  118   2HA   GLY  17          2HA       GLY  17  50.211   2.779   2.480
  119    H    HIS  18           H        HIS  18  51.454   3.560   5.029
  120    HA   HIS  18           HA       HIS  18  53.873   4.947   4.137
  121   1HB   HIS  18          1HB       HIS  18  53.203   7.080   4.995
  122   2HB   HIS  18          2HB       HIS  18  51.920   6.523   3.934
  123    HD1  HIS  18           HD1      HIS  18  52.412   8.056   7.100
  124    HD2  HIS  18           HD2      HIS  18  49.714   5.275   5.591
  125    HE1  HIS  18           HE1      HIS  18  50.466   8.063   8.694
  126    HE2  HIS  18           HE2      HIS  18  48.775   6.516   7.655
  127    H    ALA  19           H        ALA  19  55.418   5.224   5.717
  128    HA   ALA  19           HA       ALA  19  54.819   3.819   8.240
  129   1HB   ALA  19          1HB       ALA  19  57.106   3.015   8.242
  130   2HB   ALA  19          2HB       ALA  19  57.436   3.887   6.745
  131   3HB   ALA  19          3HB       ALA  19  56.293   2.543   6.751
  132    H    ARG  20           H        ARG  20  55.022   5.007  10.021
  133    HA   ARG  20           HA       ARG  20  56.711   7.402   9.890
  134   1HB   ARG  20          1HB       ARG  20  54.266   7.642  10.556
  135   2HB   ARG  20          2HB       ARG  20  54.674   6.773  12.031
  136   1HG   ARG  20          1HG       ARG  20  56.343   8.511  12.558
  137   2HG   ARG  20          2HG       ARG  20  55.839   9.396  11.119
  138   1HD   ARG  20          1HD       ARG  20  53.518   9.420  12.089
  139   2HD   ARG  20          2HD       ARG  20  54.218   8.791  13.580
  140    HE   ARG  20           HE       ARG  20  54.886  11.411  12.391
  141   1HH1  ARG  20          1HH1      ARG  20  54.704   9.272  15.154
  142   2HH1  ARG  20          2HH1      ARG  20  54.922  10.550  16.316
  143   1HH2  ARG  20          1HH2      ARG  20  55.199  13.095  13.906
  144   2HH2  ARG  20          2HH2      ARG  20  55.197  12.718  15.604
  145    H    CYS  21           H        CYS  21  58.447   7.576  11.162
  146    HA   CYS  21           HA       CYS  21  59.584   5.281  12.331
  147   1HB   CYS  21          1HB       CYS  21  60.279   8.181  12.811
  148   2HB   CYS  21          2HB       CYS  21  61.308   6.798  13.155
  149    H    ARG  22           H        ARG  22  59.215   4.372  14.223
  150    HA   ARG  22           HA       ARG  22  57.255   5.295  16.004
  151   1HB   ARG  22          1HB       ARG  22  57.669   2.958  15.849
  152   2HB   ARG  22          2HB       ARG  22  59.374   3.162  16.219
  153   1HG   ARG  22          1HG       ARG  22  58.226   2.220  18.110
  154   2HG   ARG  22          2HG       ARG  22  58.781   3.846  18.501
  155   1HD   ARG  22          1HD       ARG  22  56.515   4.700  18.053
  156   2HD   ARG  22          2HD       ARG  22  55.976   3.053  17.721
  157    HE   ARG  22           HE       ARG  22  57.141   3.724  20.336
  158   1HH1  ARG  22          1HH1      ARG  22  54.378   2.737  18.417
  159   2HH1  ARG  22          2HH1      ARG  22  53.486   2.124  19.783
  160   1HH2  ARG  22          1HH2      ARG  22  55.984   2.948  22.129
  161   2HH2  ARG  22          2HH2      ARG  22  54.396   2.264  21.905
  162    H    SER  23           H        SER  23  60.802   5.230  16.327
  163    HA   SER  23           HA       SER  23  60.515   6.819  18.774
  164   1HB   SER  23          1HB       SER  23  63.089   6.005  18.823
  165   2HB   SER  23          2HB       SER  23  61.751   5.074  19.500
  166    HG   SER  23           HG       SER  23  62.105   3.604  18.064
  167    H    CYS  24           H        CYS  24  61.151   7.374  15.598
  168    HA   CYS  24           HA       CYS  24  63.206   9.396  16.101
  169   1HB   CYS  24          1HB       CYS  24  61.820   8.715  13.514
  170   2HB   CYS  24          2HB       CYS  24  63.188   9.793  13.703
  171    H    GLY  25           H        GLY  25  60.267   9.456  14.116
  172   1HA   GLY  25          1HA       GLY  25  58.559  11.183  15.016
  173   2HA   GLY  25          2HA       GLY  25  59.923  12.276  14.825
  174    H    GLU  26           H        GLU  26  60.811  10.672  12.415
  175    HA   GLU  26           HA       GLU  26  59.593  12.258  10.426
  176   1HB   GLU  26          1HB       GLU  26  61.025   9.648   9.914
  177   2HB   GLU  26          2HB       GLU  26  60.783  10.965   8.781
  178   1HG   GLU  26          1HG       GLU  26  62.994  11.185   9.378
  179   2HG   GLU  26          2HG       GLU  26  62.191  12.344  10.436
  180    H    PHE  27           H        PHE  27  58.030  11.870   8.951
  181    HA   PHE  27           HA       PHE  27  56.718   9.238   9.041
  182   1HB   PHE  27          1HB       PHE  27  54.658  10.452   8.185
  183   2HB   PHE  27          2HB       PHE  27  55.100  10.777   9.855
  184    HD1  PHE  27           HD1      PHE  27  54.777  12.167   6.502
  185    HD2  PHE  27           HD2      PHE  27  55.980  12.948  10.507
  186    HE1  PHE  27           HE1      PHE  27  54.748  14.581   6.038
  187    HE2  PHE  27           HE2      PHE  27  55.955  15.364  10.047
  188    HZ   PHE  27           HZ       PHE  27  55.338  16.182   7.812
  189    H    ILE  28           H        ILE  28  57.042   8.084   7.270
  190    HA   ILE  28           HA       ILE  28  57.785   9.524   4.807
  191    HB   ILE  28           HB       ILE  28  58.787   6.814   5.703
  192   1HG1  ILE  28          1HG1      ILE  28  60.253   9.460   5.595
  193   2HG1  ILE  28          2HG1      ILE  28  59.676   8.688   7.068
  194   1HG2  ILE  28          1HG2      ILE  28  59.573   8.536   3.351
  195   2HG2  ILE  28          2HG2      ILE  28  58.658   7.030   3.281
  196   3HG2  ILE  28          3HG2      ILE  28  60.338   7.013   3.814
  197   1HD1  ILE  28          1HD1      ILE  28  62.049   8.313   6.760
  198   2HD1  ILE  28          2HD1      ILE  28  61.747   7.581   5.184
  199   3HD1  ILE  28          3HD1      ILE  28  61.163   6.792   6.649
  200    H    GLU  29           H        GLU  29  56.232   9.324   3.325
  201    HA   GLU  29           HA       GLU  29  54.402   7.118   3.304
  202   1HB   GLU  29          1HB       GLU  29  54.885   9.233   1.193
  203   2HB   GLU  29          2HB       GLU  29  53.550   8.093   1.206
  204   1HG   GLU  29          1HG       GLU  29  52.611  10.049   2.006
  205   2HG   GLU  29          2HG       GLU  29  52.946   9.130   3.471
  206    H    MET  30           H        MET  30  54.286   5.460   1.748
  207    HA   MET  30           HA       MET  30  56.836   4.975   0.377
  208   1HB   MET  30          1HB       MET  30  54.775   3.071   1.472
  209   2HB   MET  30          2HB       MET  30  56.042   2.560   0.364
  210   1HG   MET  30          1HG       MET  30  57.742   3.268   1.941
  211   2HG   MET  30          2HG       MET  30  56.499   3.855   3.042
  212   1HE   MET  30          1HE       MET  30  58.093   0.634   4.727
  213   2HE   MET  30          2HE       MET  30  57.863   2.376   4.878
  214   3HE   MET  30          3HE       MET  30  58.928   1.732   3.628
  215    H    LYS  31           H        LYS  31  56.894   4.579  -1.744
  216    HA   LYS  31           HA       LYS  31  54.489   5.138  -3.273
  217   1HB   LYS  31          1HB       LYS  31  56.849   6.048  -3.772
  218   2HB   LYS  31          2HB       LYS  31  57.203   4.440  -4.387
  219   1HG   LYS  31          1HG       LYS  31  56.621   5.620  -6.289
  220   2HG   LYS  31          2HG       LYS  31  55.127   4.781  -5.868
  221   1HD   LYS  31          1HD       LYS  31  54.569   7.042  -6.423
  222   2HD   LYS  31          2HD       LYS  31  54.390   6.853  -4.677
  223   1HE   LYS  31          1HE       LYS  31  56.614   7.846  -4.356
  224   2HE   LYS  31          2HE       LYS  31  56.760   8.063  -6.098
  225   1HZ   LYS  31          1HZ       LYS  31  54.836   9.395  -4.272
  226   2HZ   LYS  31          2HZ       LYS  31  54.723   9.472  -5.959
  227   3HZ   LYS  31          3HZ       LYS  31  56.080  10.118  -5.173
  228    H    ALA  32           H        ALA  32  53.148   3.469  -3.584
  229    HA   ALA  32           HA       ALA  32  54.041   0.747  -3.492
  230   1HB   ALA  32          1HB       ALA  32  51.698   0.182  -3.897
  231   2HB   ALA  32          2HB       ALA  32  51.343   1.877  -4.236
  232   3HB   ALA  32          3HB       ALA  32  51.849   1.388  -2.619
  233    H    LEU  33           H        LEU  33  55.238   0.037  -5.140
  234    HA   LEU  33           HA       LEU  33  54.314   0.615  -7.880
  235   1HB   LEU  33          1HB       LEU  33  57.077  -0.178  -6.952
  236   2HB   LEU  33          2HB       LEU  33  56.614   0.198  -8.598
  237    HG   LEU  33           HG       LEU  33  56.631   2.155  -6.296
  238   1HD1  LEU  33          1HD1      LEU  33  58.876   1.516  -6.984
  239   2HD1  LEU  33          2HD1      LEU  33  58.518   3.172  -7.473
  240   3HD1  LEU  33          3HD1      LEU  33  58.475   1.872  -8.664
  241   1HD2  LEU  33          1HD2      LEU  33  56.100   2.587  -9.232
  242   2HD2  LEU  33          2HD2      LEU  33  56.204   3.845  -8.001
  243   3HD2  LEU  33          3HD2      LEU  33  54.898   2.661  -7.944
  244    H    CYS  34           H        CYS  34  54.154  -1.073  -9.354
  245    HA   CYS  34           HA       CYS  34  54.056  -3.770  -8.295
  246   1HB   CYS  34          1HB       CYS  34  52.419  -3.087  -9.994
  247   2HB   CYS  34          2HB       CYS  34  53.717  -2.721 -11.121
  248    HA   PRO  35           HA       PRO  35  58.445  -4.389  -8.775
  249   1HB   PRO  35          1HB       PRO  35  57.572  -7.223  -9.107
  250   2HB   PRO  35          2HB       PRO  35  58.814  -6.544  -8.049
  251   1HG   PRO  35          1HG       PRO  35  56.463  -7.275  -7.058
  252   2HG   PRO  35          2HG       PRO  35  57.265  -5.800  -6.488
  253   1HD   PRO  35          1HD       PRO  35  54.935  -6.101  -8.327
  254   2HD   PRO  35          2HD       PRO  35  55.262  -4.848  -7.113
  255    H    ASP  36           H        ASP  36  56.114  -5.812 -11.007
  256    HA   ASP  36           HA       ASP  36  58.195  -6.396 -12.951
  257   1HB   ASP  36          1HB       ASP  36  56.753  -7.883 -13.859
  258   2HB   ASP  36          2HB       ASP  36  55.913  -7.710 -12.325
  259    H    CYS  37           H        CYS  37  56.280  -3.761 -12.180
  260    HA   CYS  37           HA       CYS  37  56.388  -2.738 -14.950
  261   1HB   CYS  37          1HB       CYS  37  54.591  -1.746 -12.728
  262   2HB   CYS  37          2HB       CYS  37  54.545  -1.269 -14.419
  263    H    HIS  38           H        HIS  38  56.961  -2.040 -11.569
  264    HA   HIS  38           HA       HIS  38  57.887  -0.354 -10.421
  265   1HB   HIS  38          1HB       HIS  38  59.490  -0.295 -12.943
  266   2HB   HIS  38          2HB       HIS  38  59.710   0.989 -11.753
  267    HD1  HIS  38           HD1      HIS  38  61.047  -2.201 -12.588
  268    HD2  HIS  38           HD2      HIS  38  60.112  -0.266  -9.033
  269    HE1  HIS  38           HE1      HIS  38  62.299  -3.438 -10.788
  270    HE2  HIS  38           HE2      HIS  38  61.493  -2.407  -8.633
  271    H    GLN  39           H        GLN  39  55.539   0.018 -12.210
  272    HA   GLN  39           HA       GLN  39  55.481   2.947 -12.147
  273   1HB   GLN  39          1HB       GLN  39  53.704   0.976 -13.608
  274   2HB   GLN  39          2HB       GLN  39  53.438   2.715 -13.572
  275   1HG   GLN  39          1HG       GLN  39  55.659   3.026 -14.621
  276   2HG   GLN  39          2HG       GLN  39  55.803   1.276 -14.755
  277   1HE2  GLN  39          1HE2      GLN  39  54.572   0.182 -16.266
  278   2HE2  GLN  39          2HE2      GLN  39  53.726   0.989 -17.543
  279    HA   PRO  40           HA       PRO  40  53.075   3.001  -8.537
  280   1HB   PRO  40          1HB       PRO  40  51.079   4.802  -9.163
  281   2HB   PRO  40          2HB       PRO  40  52.721   5.244  -8.685
  282   1HG   PRO  40          1HG       PRO  40  51.535   5.034 -11.423
  283   2HG   PRO  40          2HG       PRO  40  52.629   6.270 -10.767
  284   1HD   PRO  40          1HD       PRO  40  53.543   4.328 -12.358
  285   2HD   PRO  40          2HD       PRO  40  54.498   4.898 -10.973
  286    H    LEU  41           H        LEU  41  51.549   1.817  -7.606
  287    HA   LEU  41           HA       LEU  41  49.586   0.429  -9.206
  288   1HB   LEU  41          1HB       LEU  41  50.189   0.425  -6.251
  289   2HB   LEU  41          2HB       LEU  41  48.908  -0.529  -6.974
  290    HG   LEU  41           HG       LEU  41  51.849  -0.801  -7.603
  291   1HD1  LEU  41          1HD1      LEU  41  51.658  -2.943  -6.425
  292   2HD1  LEU  41          2HD1      LEU  41  49.995  -2.548  -5.988
  293   3HD1  LEU  41          3HD1      LEU  41  51.326  -1.575  -5.361
  294   1HD2  LEU  41          1HD2      LEU  41  50.546  -1.390  -9.526
  295   2HD2  LEU  41          2HD2      LEU  41  49.421  -2.323  -8.541
  296   3HD2  LEU  41          3HD2      LEU  41  51.080  -2.880  -8.749
  297    H    GLN  42           H        GLN  42  47.313   0.436  -8.678
  298    HA   GLN  42           HA       GLN  42  46.394   3.123  -7.993
  299   1HB   GLN  42          1HB       GLN  42  45.669   1.844 -10.098
  300   2HB   GLN  42          2HB       GLN  42  44.704   0.848  -9.018
  301   1HG   GLN  42          1HG       GLN  42  43.462   2.791  -8.288
  302   2HG   GLN  42          2HG       GLN  42  44.463   3.832  -9.300
  303   1HE2  GLN  42          1HE2      GLN  42  42.833   4.577 -10.564
  304   2HE2  GLN  42          2HE2      GLN  42  41.972   3.586 -11.689
  305    H    VAL  43           H        VAL  43  45.979   3.436  -5.915
  306    HA   VAL  43           HA       VAL  43  45.421   1.264  -4.121
  307    HB   VAL  43           HB       VAL  43  45.304   4.237  -3.574
  308   1HG1  VAL  43          1HG1      VAL  43  45.560   1.880  -1.710
  309   2HG1  VAL  43          2HG1      VAL  43  44.148   2.921  -1.893
  310   3HG1  VAL  43          3HG1      VAL  43  45.647   3.575  -1.234
  311   1HG2  VAL  43          1HG2      VAL  43  47.602   2.313  -3.206
  312   2HG2  VAL  43          2HG2      VAL  43  47.582   4.007  -2.714
  313   3HG2  VAL  43          3HG2      VAL  43  47.501   3.583  -4.425
  314    H    LEU  44           H        LEU  44  43.483   0.330  -4.300
  315    HA   LEU  44           HA       LEU  44  41.132   1.962  -4.865
  316   1HB   LEU  44          1HB       LEU  44  41.431  -1.032  -4.656
  317   2HB   LEU  44          2HB       LEU  44  39.978  -0.189  -5.153
  318    HG   LEU  44           HG       LEU  44  42.599  -0.295  -6.641
  319   1HD1  LEU  44          1HD1      LEU  44  41.252  -1.425  -8.351
  320   2HD1  LEU  44          2HD1      LEU  44  39.856  -1.370  -7.274
  321   3HD1  LEU  44          3HD1      LEU  44  41.274  -2.319  -6.830
  322   1HD2  LEU  44          1HD2      LEU  44  41.581   1.910  -6.823
  323   2HD2  LEU  44          2HD2      LEU  44  40.059   1.172  -7.320
  324   3HD2  LEU  44          3HD2      LEU  44  41.485   1.034  -8.351
  325    H    LYS  45           H        LYS  45  39.807   2.628  -3.319
  326    HA   LYS  45           HA       LYS  45  39.816   1.240  -0.741
  327   1HB   LYS  45          1HB       LYS  45  38.514   3.846  -1.562
  328   2HB   LYS  45          2HB       LYS  45  38.394   3.131   0.037
  329   1HG   LYS  45          1HG       LYS  45  40.902   3.289   0.172
  330   2HG   LYS  45          2HG       LYS  45  40.836   4.257  -1.304
  331   1HD   LYS  45          1HD       LYS  45  39.314   5.832  -0.171
  332   2HD   LYS  45          2HD       LYS  45  39.458   4.884   1.308
  333   1HE   LYS  45          1HE       LYS  45  40.932   6.738   1.501
  334   2HE   LYS  45          2HE       LYS  45  41.921   5.304   1.234
  335   1HZ   LYS  45          1HZ       LYS  45  42.679   7.167  -0.097
  336   2HZ   LYS  45          2HZ       LYS  45  41.161   7.290  -0.842
  337   3HZ   LYS  45          3HZ       LYS  45  42.120   5.917  -1.098
  338    H    ALA  46           H        ALA  46  38.566  -0.526  -0.873
  339    HA   ALA  46           HA       ALA  46  36.084  -0.451  -2.402
  340   1HB   ALA  46          1HB       ALA  46  35.987  -2.851  -1.968
  341   2HB   ALA  46          2HB       ALA  46  37.369  -2.722  -0.882
  342   3HB   ALA  46          3HB       ALA  46  37.569  -2.400  -2.604
  343    H    CYS  47           H        CYS  47  36.359   1.153  -0.012
  344    HA   CYS  47           HA       CYS  47  35.614   1.532   2.096
  345   1HB   CYS  47          1HB       CYS  47  33.094   1.293   2.274
  346   2HB   CYS  47          2HB       CYS  47  33.700   2.279   0.953
  347    HG   CYS  47           HG       CYS  47  33.292  -0.842  -0.037
  348    H    GLY  48           H        GLY  48  36.864   0.045   3.199
  349   1HA   GLY  48          1HA       GLY  48  36.243  -1.513   5.110
  350   2HA   GLY  48          2HA       GLY  48  35.586  -2.532   3.833
  351    H    ALA  49           H        ALA  49  37.265  -2.733   1.934
  352    HA   ALA  49           HA       ALA  49  39.876  -3.397   3.126
  353   1HB   ALA  49          1HB       ALA  49  40.103  -5.103   1.391
  354   2HB   ALA  49          2HB       ALA  49  38.531  -4.653   0.732
  355   3HB   ALA  49          3HB       ALA  49  38.641  -5.362   2.343
  356    H    VAL  50           H        VAL  50  41.736  -3.154   1.714
  357    HA   VAL  50           HA       VAL  50  41.385  -1.042  -0.312
  358    HB   VAL  50           HB       VAL  50  43.801  -1.542   1.446
  359   1HG1  VAL  50          1HG1      VAL  50  44.682   0.528   0.483
  360   2HG1  VAL  50          2HG1      VAL  50  43.283   0.623  -0.586
  361   3HG1  VAL  50          3HG1      VAL  50  44.429  -0.707  -0.749
  362   1HG2  VAL  50          1HG2      VAL  50  41.963  -0.568   2.710
  363   2HG2  VAL  50          2HG2      VAL  50  41.790   0.705   1.502
  364   3HG2  VAL  50          3HG2      VAL  50  43.253   0.611   2.480
  365    H    ASP  51           H        ASP  51  41.965  -1.609  -2.346
  366    HA   ASP  51           HA       ASP  51  43.467  -4.129  -2.613
  367   1HB   ASP  51          1HB       ASP  51  41.450  -2.836  -4.446
  368   2HB   ASP  51          2HB       ASP  51  42.480  -4.169  -4.953
  369    H    TYR  52           H        TYR  52  45.456  -4.028  -3.324
  370    HA   TYR  52           HA       TYR  52  46.474  -1.654  -4.639
  371   1HB   TYR  52          1HB       TYR  52  47.818  -4.303  -4.027
  372   2HB   TYR  52          2HB       TYR  52  48.631  -2.874  -4.656
  373    HD1  TYR  52           HD1      TYR  52  48.937  -0.891  -3.215
  374    HD2  TYR  52           HD2      TYR  52  47.269  -4.500  -1.695
  375    HE1  TYR  52           HE1      TYR  52  49.373  -0.122  -0.919
  376    HE2  TYR  52           HE2      TYR  52  47.698  -3.737   0.599
  377    HH   TYR  52           HH       TYR  52  48.573  -0.533   1.359
  378    H    PHE  53           H        PHE  53  45.693  -1.450  -6.681
  379    HA   PHE  53           HA       PHE  53  45.458  -3.879  -8.305
  380   1HB   PHE  53          1HB       PHE  53  43.418  -2.551  -8.005
  381   2HB   PHE  53          2HB       PHE  53  44.226  -1.142  -8.682
  382    HD1  PHE  53           HD1      PHE  53  43.583  -4.704  -9.616
  383    HD2  PHE  53           HD2      PHE  53  43.732  -0.634 -10.850
  384    HE1  PHE  53           HE1      PHE  53  42.815  -5.360 -11.862
  385    HE2  PHE  53           HE2      PHE  53  42.969  -1.284 -13.096
  386    HZ   PHE  53           HZ       PHE  53  42.510  -3.647 -13.603
  387    H    CYS  54           H        CYS  54  46.799  -4.249  -9.930
  388    HA   CYS  54           HA       CYS  54  48.642  -2.162 -10.771
  389   1HB   CYS  54          1HB       CYS  54  49.464  -4.473 -10.367
  390   2HB   CYS  54          2HB       CYS  54  48.422  -5.052 -11.659
  391    H    GLN  55           H        GLN  55  47.263  -0.745 -11.837
  392    HA   GLN  55           HA       GLN  55  45.485  -1.643 -13.894
  393   1HB   GLN  55          1HB       GLN  55  44.926   0.355 -12.641
  394   2HB   GLN  55          2HB       GLN  55  46.430   1.125 -13.124
  395   1HG   GLN  55          1HG       GLN  55  45.680   1.183 -15.436
  396   2HG   GLN  55          2HG       GLN  55  44.188   0.360 -14.981
  397   1HE2  GLN  55          1HE2      GLN  55  46.010   3.325 -14.749
  398   2HE2  GLN  55          2HE2      GLN  55  44.689   4.330 -14.271
  399    H    HIS  56           H        HIS  56  46.550  -2.681 -15.429
  400    HA   HIS  56           HA       HIS  56  47.804  -1.363 -17.548
  401   1HB   HIS  56          1HB       HIS  56  49.669  -2.469 -15.489
  402   2HB   HIS  56          2HB       HIS  56  50.069  -2.752 -17.177
  403    HD1  HIS  56           HD1      HIS  56  49.463  -0.118 -18.480
  404    HD2  HIS  56           HD2      HIS  56  51.228  -0.392 -14.720
  405    HE1  HIS  56           HE1      HIS  56  50.633   2.072 -18.118
  406    HE2  HIS  56           HE2      HIS  56  51.450   1.980 -15.739
  407    H    GLY  57           H        GLY  57  45.945  -3.567 -16.544
  408   1HA   GLY  57          1HA       GLY  57  45.119  -5.484 -17.540
  409   2HA   GLY  57          2HA       GLY  57  46.457  -5.430 -18.677
  410    H    HIS  58           H        HIS  58  47.151  -5.316 -15.284
  411    HA   HIS  58           HA       HIS  58  48.396  -7.956 -15.548
  412   1HB   HIS  58          1HB       HIS  58  48.934  -5.643 -13.698
  413   2HB   HIS  58          2HB       HIS  58  49.593  -7.245 -13.391
  414    HD2  HIS  58           HD2      HIS  58  49.740  -6.786 -17.083
  415    HE1  HIS  58           HE1      HIS  58  53.420  -5.231 -15.686
  416    HE2  HIS  58           HE2      HIS  58  52.168  -6.123 -17.664
  417    H    GLY  59           H        GLY  59  46.537  -6.101 -13.124
  418   1HA   GLY  59          1HA       GLY  59  44.497  -7.425 -12.380
  419   2HA   GLY  59          2HA       GLY  59  45.663  -8.685 -12.002
  420    H    LEU  60           H        LEU  60  44.750  -8.530  -9.827
  421    HA   LEU  60           HA       LEU  60  45.479  -6.127  -8.337
  422   1HB   LEU  60          1HB       LEU  60  43.929  -8.600  -7.576
  423   2HB   LEU  60          2HB       LEU  60  44.390  -7.375  -6.411
  424    HG   LEU  60           HG       LEU  60  43.110  -5.713  -7.860
  425   1HD1  LEU  60          1HD1      LEU  60  41.343  -6.649  -9.270
  426   2HD1  LEU  60          2HD1      LEU  60  42.011  -8.264  -9.028
  427   3HD1  LEU  60          3HD1      LEU  60  42.948  -7.041  -9.886
  428   1HD2  LEU  60          1HD2      LEU  60  41.589  -7.943  -6.520
  429   2HD2  LEU  60          2HD2      LEU  60  40.970  -6.327  -6.868
  430   3HD2  LEU  60          3HD2      LEU  60  42.292  -6.538  -5.719
  431    H    ILE  61           H        ILE  61  47.102  -6.022  -6.883
  432    HA   ILE  61           HA       ILE  61  49.023  -8.226  -7.007
  433    HB   ILE  61           HB       ILE  61  49.396  -5.393  -6.015
  434   1HG1  ILE  61          1HG1      ILE  61  48.926  -5.471  -8.421
  435   2HG1  ILE  61          2HG1      ILE  61  50.600  -5.018  -8.120
  436   1HG2  ILE  61          1HG2      ILE  61  50.965  -6.958  -4.993
  437   2HG2  ILE  61          2HG2      ILE  61  51.787  -5.872  -6.115
  438   3HG2  ILE  61          3HG2      ILE  61  51.439  -7.534  -6.591
  439   1HD1  ILE  61          1HD1      ILE  61  49.639  -7.754  -8.928
  440   2HD1  ILE  61          2HD1      ILE  61  51.316  -7.283  -8.652
  441   3HD1  ILE  61          3HD1      ILE  61  50.407  -6.569  -9.985
  442    H    SER  62           H        SER  62  49.606  -9.400  -5.278
  443    HA   SER  62           HA       SER  62  48.200  -9.329  -2.838
  444   1HB   SER  62          1HB       SER  62  50.932 -10.541  -3.282
  445   2HB   SER  62          2HB       SER  62  49.686 -11.066  -2.148
  446    HG   SER  62           HG       SER  62  48.569 -11.984  -3.744
  447    H    LYS  63           H        LYS  63  48.935  -8.655  -0.734
  448    HA   LYS  63           HA       LYS  63  49.991  -6.062  -0.800
  449   1HB   LYS  63          1HB       LYS  63  48.550  -7.304   1.025
  450   2HB   LYS  63          2HB       LYS  63  50.126  -7.620   1.740
  451   1HG   LYS  63          1HG       LYS  63  50.459  -5.043   1.369
  452   2HG   LYS  63          2HG       LYS  63  48.696  -5.039   1.369
  453   1HD   LYS  63          1HD       LYS  63  49.290  -4.640   3.597
  454   2HD   LYS  63          2HD       LYS  63  48.873  -6.355   3.551
  455   1HE   LYS  63          1HE       LYS  63  51.234  -6.943   3.392
  456   2HE   LYS  63          2HE       LYS  63  51.670  -5.235   3.385
  457   1HZ   LYS  63          1HZ       LYS  63  50.758  -5.027   5.618
  458   2HZ   LYS  63          2HZ       LYS  63  51.972  -6.209   5.567
  459   3HZ   LYS  63          3HZ       LYS  63  50.347  -6.675   5.618
  460    H    LYS  64           H        LYS  64  51.557  -9.120   0.172
  461    HA   LYS  64           HA       LYS  64  54.016  -7.724   0.787
  462   1HB   LYS  64          1HB       LYS  64  53.292 -10.647   0.772
  463   2HB   LYS  64          2HB       LYS  64  54.928 -10.080   1.077
  464   1HG   LYS  64          1HG       LYS  64  53.756  -8.601   2.890
  465   2HG   LYS  64          2HG       LYS  64  52.486  -9.818   2.760
  466   1HD   LYS  64          1HD       LYS  64  55.391 -10.438   3.284
  467   2HD   LYS  64          2HD       LYS  64  54.170 -10.280   4.544
  468   1HE   LYS  64          1HE       LYS  64  53.961 -12.236   2.265
  469   2HE   LYS  64          2HE       LYS  64  54.696 -12.631   3.817
  470   1HZ   LYS  64          1HZ       LYS  64  52.565 -12.015   4.874
  471   2HZ   LYS  64          2HZ       LYS  64  52.440 -13.348   3.836
  472   3HZ   LYS  64          3HZ       LYS  64  51.876 -11.830   3.336
  473    H    ARG  65           H        ARG  65  52.630  -8.329  -2.033
  474    HA   ARG  65           HA       ARG  65  55.125  -9.010  -3.418
  475   1HB   ARG  65          1HB       ARG  65  53.156 -10.323  -4.059
  476   2HB   ARG  65          2HB       ARG  65  52.281  -8.848  -4.447
  477   1HG   ARG  65          1HG       ARG  65  53.910  -8.374  -6.226
  478   2HG   ARG  65          2HG       ARG  65  54.730  -9.891  -5.855
  479   1HD   ARG  65          1HD       ARG  65  51.839  -9.679  -6.671
  480   2HD   ARG  65          2HD       ARG  65  53.161 -10.010  -7.790
  481    HE   ARG  65           HE       ARG  65  52.524 -11.788  -5.514
  482   1HH1  ARG  65          1HH1      ARG  65  53.289 -11.259  -8.890
  483   2HH1  ARG  65          2HH1      ARG  65  53.369 -12.952  -9.281
  484   1HH2  ARG  65          1HH2      ARG  65  52.612 -14.003  -6.004
  485   2HH2  ARG  65          2HH2      ARG  65  52.967 -14.526  -7.627
  486    H    VAL  66           H        VAL  66  53.243  -6.396  -2.459
  487    HA   VAL  66           HA       VAL  66  53.715  -4.639  -4.669
  488    HB   VAL  66           HB       VAL  66  53.005  -3.965  -1.805
  489   1HG1  VAL  66          1HG1      VAL  66  52.204  -1.838  -2.714
  490   2HG1  VAL  66          2HG1      VAL  66  52.777  -2.306  -4.315
  491   3HG1  VAL  66          3HG1      VAL  66  53.930  -2.056  -3.003
  492   1HG2  VAL  66          1HG2      VAL  66  50.697  -3.787  -2.621
  493   2HG2  VAL  66          2HG2      VAL  66  51.337  -5.420  -2.809
  494   3HG2  VAL  66          3HG2      VAL  66  51.223  -4.352  -4.207
  495    H    GLU  67           H        GLU  67  55.474  -3.421  -5.082
  496    HA   GLU  67           HA       GLU  67  57.740  -3.614  -3.276
  497   1HB   GLU  67          1HB       GLU  67  58.000  -3.861  -5.760
  498   2HB   GLU  67          2HB       GLU  67  57.556  -2.168  -5.929
  499   1HG   GLU  67          1HG       GLU  67  59.498  -1.574  -4.504
  500   2HG   GLU  67          2HG       GLU  67  59.970  -3.271  -4.513
  501    H    PHE  68           H        PHE  68  57.679  -2.286  -1.589
  502    HA   PHE  68           HA       PHE  68  56.575   0.402  -1.898
  503   1HB   PHE  68          1HB       PHE  68  57.417  -1.152   0.555
  504   2HB   PHE  68          2HB       PHE  68  56.841   0.508   0.597
  505    HD1  PHE  68           HD1      PHE  68  54.496   0.985  -0.213
  506    HD2  PHE  68           HD2      PHE  68  55.926  -2.948   0.560
  507    HE1  PHE  68           HE1      PHE  68  52.176   0.181  -0.030
  508    HE2  PHE  68           HE2      PHE  68  53.612  -3.760   0.742
  509    HZ   PHE  68           HZ       PHE  68  51.734  -2.194   0.448
  510    H    VAL  69           H        VAL  69  57.923   1.962  -2.477
  511    HA   VAL  69           HA       VAL  69  60.669   1.887  -1.398
  512    HB   VAL  69           HB       VAL  69  61.371   3.281  -3.300
  513   1HG1  VAL  69          1HG1      VAL  69  59.986   0.727  -4.104
  514   2HG1  VAL  69          2HG1      VAL  69  61.620   0.873  -3.456
  515   3HG1  VAL  69          3HG1      VAL  69  61.235   1.553  -5.037
  516   1HG2  VAL  69          1HG2      VAL  69  59.882   3.584  -5.226
  517   2HG2  VAL  69          2HG2      VAL  69  59.263   4.391  -3.785
  518   3HG2  VAL  69          3HG2      VAL  69  58.559   2.862  -4.310
  519    H    LEU  70           H        LEU  70  61.642   4.144  -1.213
  520    HA   LEU  70           HA       LEU  70  59.996   5.609   0.603
  521   1HB   LEU  70          1HB       LEU  70  62.717   6.281  -0.521
  522   2HB   LEU  70          2HB       LEU  70  61.950   7.087   0.832
  523    HG   LEU  70           HG       LEU  70  62.807   4.192   0.775
  524   1HD1  LEU  70          1HD1      LEU  70  64.508   4.892   2.380
  525   2HD1  LEU  70          2HD1      LEU  70  63.979   6.565   2.218
  526   3HD1  LEU  70          3HD1      LEU  70  64.698   5.732   0.841
  527   1HD2  LEU  70          1HD2      LEU  70  62.269   4.206   3.158
  528   2HD2  LEU  70          2HD2      LEU  70  60.841   4.539   2.178
  529   3HD2  LEU  70          3HD2      LEU  70  61.663   5.856   3.015
  530    H    ALA  71           H        ALA  71  58.699   7.271   0.194
  531    HA   ALA  71           HA       ALA  71  58.937   8.598  -2.422
  532   1HB   ALA  71          1HB       ALA  71  56.567   9.124  -2.218
  533   2HB   ALA  71          2HB       ALA  71  56.519   8.338  -0.640
  534   3HB   ALA  71          3HB       ALA  71  56.844   7.385  -2.089
  Start of MODEL    5
    1    H    MET   1           H        MET   1  58.080  -5.086  13.744
    2    HA   MET   1           HA       MET   1  59.660  -6.156  12.238
    3   1HB   MET   1          1HB       MET   1  57.867  -4.871  10.181
    4   2HB   MET   1          2HB       MET   1  59.537  -5.286   9.832
    5   1HG   MET   1          1HG       MET   1  58.118  -7.019   9.010
    6   2HG   MET   1          2HG       MET   1  59.034  -7.636  10.380
    7   1HE   MET   1          1HE       MET   1  57.352  -9.718  10.496
    8   2HE   MET   1          2HE       MET   1  56.460  -9.051   9.128
    9   3HE   MET   1          3HE       MET   1  55.599  -9.539  10.589
   10    H    GLU   2           H        GLU   2  61.219  -4.991  13.122
   11    HA   GLU   2           HA       GLU   2  61.199  -2.115  13.068
   12   1HB   GLU   2          1HB       GLU   2  63.486  -3.915  13.876
   13   2HB   GLU   2          2HB       GLU   2  63.251  -2.230  14.314
   14   1HG   GLU   2          1HG       GLU   2  62.593  -3.238  16.240
   15   2HG   GLU   2          2HG       GLU   2  61.047  -3.156  15.399
   16    H    LEU   3           H        LEU   3  61.535  -1.191  11.161
   17    HA   LEU   3           HA       LEU   3  63.640  -2.226   9.402
   18   1HB   LEU   3          1HB       LEU   3  61.345  -1.702   8.500
   19   2HB   LEU   3          2HB       LEU   3  61.644  -0.017   8.870
   20    HG   LEU   3           HG       LEU   3  63.555  -0.036   7.291
   21   1HD1  LEU   3          1HD1      LEU   3  62.570  -2.804   6.613
   22   2HD1  LEU   3          2HD1      LEU   3  64.094  -2.414   7.408
   23   3HD1  LEU   3          3HD1      LEU   3  63.812  -1.903   5.743
   24   1HD2  LEU   3          1HD2      LEU   3  62.208  -0.072   5.260
   25   2HD2  LEU   3          2HD2      LEU   3  61.347   0.724   6.578
   26   3HD2  LEU   3          3HD2      LEU   3  60.924  -0.926   6.115
   27    H    HIS   4           H        HIS   4  64.868  -0.276   8.250
   28    HA   HIS   4           HA       HIS   4  65.491   1.756  10.281
   29   1HB   HIS   4          1HB       HIS   4  67.511   0.253   8.608
   30   2HB   HIS   4          2HB       HIS   4  67.879   1.633   9.631
   31    HD1  HIS   4           HD1      HIS   4  67.388  -2.014   9.714
   32    HD2  HIS   4           HD2      HIS   4  67.608   1.118  12.439
   33    HE1  HIS   4           HE1      HIS   4  67.734  -3.093  11.962
   34    HE2  HIS   4           HE2      HIS   4  67.625  -1.186  13.612
   35    H    CYS   5           H        CYS   5  66.127   3.764   9.505
   36    HA   CYS   5           HA       CYS   5  65.097   4.397   6.884
   37   1HB   CYS   5          1HB       CYS   5  66.533   6.470   8.434
   38   2HB   CYS   5          2HB       CYS   5  64.977   6.553   7.624
   39    HA   PRO   6           HA       PRO   6  69.182   4.332   4.939
   40   1HB   PRO   6          1HB       PRO   6  67.741   5.772   2.799
   41   2HB   PRO   6          2HB       PRO   6  68.658   4.265   2.714
   42   1HG   PRO   6          1HG       PRO   6  65.983   4.289   2.549
   43   2HG   PRO   6          2HG       PRO   6  66.854   2.975   3.360
   44   1HD   PRO   6          1HD       PRO   6  65.393   5.303   4.550
   45   2HD   PRO   6          2HD       PRO   6  65.447   3.611   5.089
   46    H    GLN   7           H        GLN   7  66.990   6.999   5.378
   47    HA   GLN   7           HA       GLN   7  69.000   9.040   4.936
   48   1HB   GLN   7          1HB       GLN   7  66.259   9.360   6.172
   49   2HB   GLN   7          2HB       GLN   7  67.255  10.613   5.451
   50   1HG   GLN   7          1HG       GLN   7  66.778   9.942   3.299
   51   2HG   GLN   7          2HG       GLN   7  66.329   8.311   3.797
   52   1HE2  GLN   7          1HE2      GLN   7  64.846  10.226   2.163
   53   2HE2  GLN   7          2HE2      GLN   7  63.331  10.461   2.971
   54    H    CYS   8           H        CYS   8  66.782   8.800   7.639
   55    HA   CYS   8           HA       CYS   8  68.887   9.608   9.476
   56   1HB   CYS   8          1HB       CYS   8  66.954  10.047  11.023
   57   2HB   CYS   8          2HB       CYS   8  66.915  10.994   9.537
   58    H    GLN   9           H        GLN   9  69.670   7.432   9.123
   59    HA   GLN   9           HA       GLN   9  68.730   4.993   9.658
   60   1HB   GLN   9          1HB       GLN   9  71.349   5.990  10.783
   61   2HB   GLN   9          2HB       GLN   9  70.946   4.332  10.359
   62   1HG   GLN   9          1HG       GLN   9  70.744   4.985   8.013
   63   2HG   GLN   9          2HG       GLN   9  71.158   6.643   8.443
   64   1HE2  GLN   9          1HE2      GLN   9  72.979   6.697   7.186
   65   2HE2  GLN   9          2HE2      GLN   9  74.415   5.812   7.570
   66    H    HIS  10           H        HIS  10  67.260   4.544  11.115
   67    HA   HIS  10           HA       HIS  10  67.981   4.002  13.782
   68   1HB   HIS  10          1HB       HIS  10  66.490   6.516  13.276
   69   2HB   HIS  10          2HB       HIS  10  65.808   5.470  14.515
   70    HD1  HIS  10           HD1      HIS  10  67.634   4.769  16.458
   71    HD2  HIS  10           HD2      HIS  10  68.433   8.169  14.196
   72    HE1  HIS  10           HE1      HIS  10  69.296   6.104  17.796
   73    HE2  HIS  10           HE2      HIS  10  69.919   8.046  16.312
   74    H    VAL  11           H        VAL  11  65.700   3.390  14.960
   75    HA   VAL  11           HA       VAL  11  64.694   1.321  13.285
   76    HB   VAL  11           HB       VAL  11  64.957   1.078  15.744
   77   1HG1  VAL  11          1HG1      VAL  11  63.195   1.934  17.222
   78   2HG1  VAL  11          2HG1      VAL  11  62.515   2.837  15.871
   79   3HG1  VAL  11          3HG1      VAL  11  64.124   3.233  16.476
   80   1HG2  VAL  11          1HG2      VAL  11  63.594  -0.498  14.515
   81   2HG2  VAL  11          2HG2      VAL  11  62.194   0.566  14.664
   82   3HG2  VAL  11          3HG2      VAL  11  62.885  -0.189  16.101
   83    H    LEU  12           H        LEU  12  62.893   1.137  12.167
   84    HA   LEU  12           HA       LEU  12  60.922   3.324  12.227
   85   1HB   LEU  12          1HB       LEU  12  61.679   1.370  10.055
   86   2HB   LEU  12          2HB       LEU  12  60.235   2.360   9.980
   87    HG   LEU  12           HG       LEU  12  63.045   3.448  10.136
   88   1HD1  LEU  12          1HD1      LEU  12  62.658   2.280   8.028
   89   2HD1  LEU  12          2HD1      LEU  12  62.736   4.025   7.781
   90   3HD1  LEU  12          3HD1      LEU  12  61.176   3.204   7.780
   91   1HD2  LEU  12          1HD2      LEU  12  61.971   5.568   9.550
   92   2HD2  LEU  12          2HD2      LEU  12  61.359   4.934  11.078
   93   3HD2  LEU  12          3HD2      LEU  12  60.392   4.783   9.611
   94    H    ASP  13           H        ASP  13  59.056   2.833  13.170
   95    HA   ASP  13           HA       ASP  13  58.277   0.007  13.325
   96   1HB   ASP  13          1HB       ASP  13  58.370   1.299  15.470
   97   2HB   ASP  13          2HB       ASP  13  57.094   2.343  14.846
   98    H    GLN  14           H        GLN  14  56.936  -0.652  11.827
   99    HA   GLN  14           HA       GLN  14  55.074   1.290  10.647
  100   1HB   GLN  14          1HB       GLN  14  55.508   0.121   8.445
  101   2HB   GLN  14          2HB       GLN  14  56.825   1.109   9.060
  102   1HG   GLN  14          1HG       GLN  14  57.884  -0.948   9.952
  103   2HG   GLN  14          2HG       GLN  14  56.611  -1.892   9.183
  104   1HE2  GLN  14          1HE2      GLN  14  58.006   0.974   7.766
  105   2HE2  GLN  14          2HE2      GLN  14  58.830   0.169   6.479
  106    H    ASP  15           H        ASP  15  53.160   0.610  11.396
  107    HA   ASP  15           HA       ASP  15  52.564  -2.245  11.271
  108   1HB   ASP  15          1HB       ASP  15  50.383  -1.456  12.454
  109   2HB   ASP  15          2HB       ASP  15  51.879  -1.560  13.367
  110    H    ASN  16           H        ASN  16  50.571   0.648  10.663
  111    HA   ASN  16           HA       ASN  16  49.477  -0.788   8.328
  112   1HB   ASN  16          1HB       ASN  16  48.057   1.096  10.226
  113   2HB   ASN  16          2HB       ASN  16  47.342   0.403   8.775
  114   1HD2  ASN  16          1HD2      ASN  16  46.583   0.157  11.602
  115   2HD2  ASN  16          2HD2      ASN  16  46.567  -1.538  11.935
  116    H    GLY  17           H        GLY  17  50.555   0.146   6.654
  117   1HA   GLY  17          1HA       GLY  17  50.319   1.621   4.874
  118   2HA   GLY  17          2HA       GLY  17  49.476   2.733   5.932
  119    H    HIS  18           H        HIS  18  51.330   3.221   7.899
  120    HA   HIS  18           HA       HIS  18  53.360   4.630   6.298
  121   1HB   HIS  18          1HB       HIS  18  51.754   5.486   8.674
  122   2HB   HIS  18          2HB       HIS  18  53.332   6.213   8.379
  123    HD1  HIS  18           HD1      HIS  18  49.904   6.808   7.699
  124    HD2  HIS  18           HD2      HIS  18  53.416   7.179   5.505
  125    HE1  HIS  18           HE1      HIS  18  49.370   8.398   5.832
  126    HE2  HIS  18           HE2      HIS  18  51.434   8.407   4.381
  127    H    ALA  19           H        ALA  19  55.416   4.932   7.096
  128    HA   ALA  19           HA       ALA  19  56.209   3.125   9.282
  129   1HB   ALA  19          1HB       ALA  19  57.887   4.239   7.031
  130   2HB   ALA  19          2HB       ALA  19  57.250   2.597   7.128
  131   3HB   ALA  19          3HB       ALA  19  58.447   3.149   8.299
  132    H    ARG  20           H        ARG  20  56.355   4.250  11.126
  133    HA   ARG  20           HA       ARG  20  57.215   7.040  10.971
  134   1HB   ARG  20          1HB       ARG  20  55.162   6.820  12.157
  135   2HB   ARG  20          2HB       ARG  20  55.783   5.491  13.125
  136   1HG   ARG  20          1HG       ARG  20  57.116   6.901  14.422
  137   2HG   ARG  20          2HG       ARG  20  57.005   8.223  13.262
  138   1HD   ARG  20          1HD       ARG  20  54.600   7.166  14.718
  139   2HD   ARG  20          2HD       ARG  20  55.635   8.417  15.406
  140    HE   ARG  20           HE       ARG  20  54.145   8.703  12.875
  141   1HH1  ARG  20          1HH1      ARG  20  55.451  10.019  15.848
  142   2HH1  ARG  20          2HH1      ARG  20  54.918  11.642  15.513
  143   1HH2  ARG  20          1HH2      ARG  20  53.447  10.834  12.424
  144   2HH2  ARG  20          2HH2      ARG  20  53.784  12.112  13.559
  145    H    CYS  21           H        CYS  21  59.122   7.675  11.614
  146    HA   CYS  21           HA       CYS  21  61.115   5.931  12.618
  147   1HB   CYS  21          1HB       CYS  21  60.932   8.947  12.565
  148   2HB   CYS  21          2HB       CYS  21  62.369   8.061  13.050
  149    H    ARG  22           H        ARG  22  60.621   4.958  14.549
  150    HA   ARG  22           HA       ARG  22  59.088   6.142  16.579
  151   1HB   ARG  22          1HB       ARG  22  59.736   3.637  16.114
  152   2HB   ARG  22          2HB       ARG  22  61.070   3.987  17.205
  153   1HG   ARG  22          1HG       ARG  22  59.314   3.019  18.485
  154   2HG   ARG  22          2HG       ARG  22  59.394   4.733  18.899
  155   1HD   ARG  22          1HD       ARG  22  57.527   5.197  17.406
  156   2HD   ARG  22          2HD       ARG  22  57.467   3.501  16.931
  157    HE   ARG  22           HE       ARG  22  57.082   4.177  19.761
  158   1HH1  ARG  22          1HH1      ARG  22  55.757   3.048  16.720
  159   2HH1  ARG  22          2HH1      ARG  22  54.269   2.508  17.416
  160   1HH2  ARG  22          1HH2      ARG  22  55.112   3.457  20.684
  161   2HH2  ARG  22          2HH2      ARG  22  53.893   2.746  19.670
  162    H    SER  23           H        SER  23  62.584   5.926  16.123
  163    HA   SER  23           HA       SER  23  63.082   7.322  18.619
  164   1HB   SER  23          1HB       SER  23  65.178   6.697  16.558
  165   2HB   SER  23          2HB       SER  23  65.340   6.784  18.312
  166    HG   SER  23           HG       SER  23  64.376   4.823  18.522
  167    H    CYS  24           H        CYS  24  63.374   7.930  15.135
  168    HA   CYS  24           HA       CYS  24  64.777  10.371  15.372
  169   1HB   CYS  24          1HB       CYS  24  62.999   9.776  13.030
  170   2HB   CYS  24          2HB       CYS  24  64.559  10.584  13.055
  171    H    GLY  25           H        GLY  25  61.323   9.613  15.101
  172   1HA   GLY  25          1HA       GLY  25  59.606  11.008  15.949
  173   2HA   GLY  25          2HA       GLY  25  60.709  12.374  15.866
  174    H    GLU  26           H        GLU  26  61.093  10.727  13.068
  175    HA   GLU  26           HA       GLU  26  59.481  12.652  11.596
  176   1HB   GLU  26          1HB       GLU  26  61.402  10.598  10.491
  177   2HB   GLU  26          2HB       GLU  26  60.765  12.009   9.663
  178   1HG   GLU  26          1HG       GLU  26  62.678  12.000  11.982
  179   2HG   GLU  26          2HG       GLU  26  63.056  12.375  10.303
  180    H    PHE  27           H        PHE  27  58.332  11.860   9.619
  181    HA   PHE  27           HA       PHE  27  57.244   9.159   9.994
  182   1HB   PHE  27          1HB       PHE  27  55.052   9.988   9.185
  183   2HB   PHE  27          2HB       PHE  27  55.533  10.733  10.702
  184    HD1  PHE  27           HD1      PHE  27  54.576  11.273   7.286
  185    HD2  PHE  27           HD2      PHE  27  56.444  13.088  10.656
  186    HE1  PHE  27           HE1      PHE  27  54.212  13.493   6.289
  187    HE2  PHE  27           HE2      PHE  27  56.082  15.309   9.661
  188    HZ   PHE  27           HZ       PHE  27  54.967  15.515   7.478
  189    H    ILE  28           H        ILE  28  57.401   7.879   8.274
  190    HA   ILE  28           HA       ILE  28  58.272   9.114   5.750
  191    HB   ILE  28           HB       ILE  28  58.722   6.310   6.789
  192   1HG1  ILE  28          1HG1      ILE  28  60.620   8.626   6.345
  193   2HG1  ILE  28          2HG1      ILE  28  60.096   7.999   7.905
  194   1HG2  ILE  28          1HG2      ILE  28  60.132   5.979   4.812
  195   2HG2  ILE  28          2HG2      ILE  28  59.655   7.567   4.212
  196   3HG2  ILE  28          3HG2      ILE  28  58.452   6.287   4.370
  197   1HD1  ILE  28          1HD1      ILE  28  61.227   5.893   7.445
  198   2HD1  ILE  28          2HD1      ILE  28  62.342   7.257   7.341
  199   3HD1  ILE  28          3HD1      ILE  28  61.730   6.503   5.868
  200    H    GLU  29           H        GLU  29  57.185   8.767   3.903
  201    HA   GLU  29           HA       GLU  29  54.611   7.403   4.098
  202   1HB   GLU  29          1HB       GLU  29  54.658   9.692   3.200
  203   2HB   GLU  29          2HB       GLU  29  55.767   9.183   1.937
  204   1HG   GLU  29          1HG       GLU  29  53.497   9.407   1.099
  205   2HG   GLU  29          2HG       GLU  29  54.062   7.742   0.989
  206    H    MET  30           H        MET  30  53.967   5.816   2.562
  207    HA   MET  30           HA       MET  30  56.250   4.325   1.474
  208   1HB   MET  30          1HB       MET  30  53.569   3.492   2.488
  209   2HB   MET  30          2HB       MET  30  54.362   2.499   1.272
  210   1HG   MET  30          1HG       MET  30  56.346   2.372   2.757
  211   2HG   MET  30          2HG       MET  30  55.419   3.227   3.989
  212   1HE   MET  30          1HE       MET  30  56.874   0.245   4.100
  213   2HE   MET  30          2HE       MET  30  55.704  -0.594   5.122
  214   3HE   MET  30          3HE       MET  30  56.189   1.056   5.512
  215    H    LYS  31           H        LYS  31  55.967   3.198  -0.521
  216    HA   LYS  31           HA       LYS  31  54.172   4.539  -2.427
  217   1HB   LYS  31          1HB       LYS  31  56.525   5.420  -2.493
  218   2HB   LYS  31          2HB       LYS  31  57.065   3.804  -2.910
  219   1HG   LYS  31          1HG       LYS  31  55.636   3.935  -4.952
  220   2HG   LYS  31          2HG       LYS  31  55.325   5.627  -4.551
  221   1HD   LYS  31          1HD       LYS  31  58.012   4.368  -5.114
  222   2HD   LYS  31          2HD       LYS  31  57.136   5.488  -6.159
  223   1HE   LYS  31          1HE       LYS  31  57.380   7.260  -4.551
  224   2HE   LYS  31          2HE       LYS  31  58.086   6.153  -3.374
  225   1HZ   LYS  31          1HZ       LYS  31  59.988   5.858  -4.820
  226   2HZ   LYS  31          2HZ       LYS  31  59.765   7.504  -4.493
  227   3HZ   LYS  31          3HZ       LYS  31  59.301   6.873  -5.995
  228    H    ALA  32           H        ALA  32  52.821   2.976  -3.068
  229    HA   ALA  32           HA       ALA  32  53.570   0.192  -3.000
  230   1HB   ALA  32          1HB       ALA  32  51.313   0.915  -2.370
  231   2HB   ALA  32          2HB       ALA  32  51.285  -0.240  -3.702
  232   3HB   ALA  32          3HB       ALA  32  51.038   1.479  -4.019
  233    H    LEU  33           H        LEU  33  55.072  -0.303  -4.521
  234    HA   LEU  33           HA       LEU  33  54.408   0.342  -7.315
  235   1HB   LEU  33          1HB       LEU  33  57.078  -0.307  -6.068
  236   2HB   LEU  33          2HB       LEU  33  56.811  -0.077  -7.784
  237    HG   LEU  33           HG       LEU  33  56.493   2.015  -5.631
  238   1HD1  LEU  33          1HD1      LEU  33  58.497   1.717  -7.865
  239   2HD1  LEU  33          2HD1      LEU  33  58.812   1.483  -6.143
  240   3HD1  LEU  33          3HD1      LEU  33  58.387   3.083  -6.753
  241   1HD2  LEU  33          1HD2      LEU  33  56.116   2.239  -8.618
  242   2HD2  LEU  33          2HD2      LEU  33  56.076   3.575  -7.465
  243   3HD2  LEU  33          3HD2      LEU  33  54.839   2.320  -7.405
  244    H    CYS  34           H        CYS  34  54.459  -1.238  -8.857
  245    HA   CYS  34           HA       CYS  34  54.098  -3.953  -7.979
  246   1HB   CYS  34          1HB       CYS  34  52.795  -3.050  -9.851
  247   2HB   CYS  34          2HB       CYS  34  54.274  -2.757 -10.756
  248    HA   PRO  35           HA       PRO  35  58.379  -5.062  -8.087
  249   1HB   PRO  35          1HB       PRO  35  58.105  -7.763  -8.495
  250   2HB   PRO  35          2HB       PRO  35  57.905  -6.968  -6.930
  251   1HG   PRO  35          1HG       PRO  35  55.824  -7.839  -8.896
  252   2HG   PRO  35          2HG       PRO  35  55.824  -7.977  -7.127
  253   1HD   PRO  35          1HD       PRO  35  54.429  -6.061  -8.395
  254   2HD   PRO  35          2HD       PRO  35  55.212  -5.762  -6.829
  255    H    ASP  36           H        ASP  36  56.258  -6.087 -10.721
  256    HA   ASP  36           HA       ASP  36  58.538  -6.909 -12.320
  257   1HB   ASP  36          1HB       ASP  36  56.779  -7.577 -14.007
  258   2HB   ASP  36          2HB       ASP  36  56.744  -8.429 -12.471
  259    H    CYS  37           H        CYS  37  56.650  -4.053 -12.022
  260    HA   CYS  37           HA       CYS  37  57.997  -3.033 -14.405
  261   1HB   CYS  37          1HB       CYS  37  55.779  -1.838 -15.005
  262   2HB   CYS  37          2HB       CYS  37  55.985  -3.526 -15.443
  263    H    HIS  38           H        HIS  38  57.498  -2.659 -11.262
  264    HA   HIS  38           HA       HIS  38  57.297  -1.002  -9.728
  265   1HB   HIS  38          1HB       HIS  38  59.185   0.568  -9.774
  266   2HB   HIS  38          2HB       HIS  38  59.664  -1.089 -10.098
  267    HD1  HIS  38           HD1      HIS  38  61.137  -1.421 -12.044
  268    HD2  HIS  38           HD2      HIS  38  59.086   2.193 -12.247
  269    HE1  HIS  38           HE1      HIS  38  62.063  -0.223 -14.054
  270    HE2  HIS  38           HE2      HIS  38  60.791   1.951 -14.180
  271    H    GLN  39           H        GLN  39  55.372  -0.543 -11.835
  272    HA   GLN  39           HA       GLN  39  55.219   2.366 -11.813
  273   1HB   GLN  39          1HB       GLN  39  53.478   0.257 -13.095
  274   2HB   GLN  39          2HB       GLN  39  53.063   1.967 -13.088
  275   1HG   GLN  39          1HG       GLN  39  55.302   2.380 -14.188
  276   2HG   GLN  39          2HG       GLN  39  55.405   0.635 -14.417
  277   1HE2  GLN  39          1HE2      GLN  39  55.423   0.874 -16.658
  278   2HE2  GLN  39          2HE2      GLN  39  53.990   1.301 -17.548
  279    HA   PRO  40           HA       PRO  40  52.927   2.705  -8.119
  280   1HB   PRO  40          1HB       PRO  40  51.220   4.665  -9.559
  281   2HB   PRO  40          2HB       PRO  40  52.147   4.859  -8.066
  282   1HG   PRO  40          1HG       PRO  40  52.998   5.952 -10.334
  283   2HG   PRO  40          2HG       PRO  40  54.142   5.216  -9.195
  284   1HD   PRO  40          1HD       PRO  40  53.066   4.131 -11.769
  285   2HD   PRO  40          2HD       PRO  40  54.709   4.026 -11.099
  286    H    LEU  41           H        LEU  41  51.444   1.392  -7.335
  287    HA   LEU  41           HA       LEU  41  49.412   0.262  -9.021
  288   1HB   LEU  41          1HB       LEU  41  49.932  -0.030  -6.061
  289   2HB   LEU  41          2HB       LEU  41  48.758  -0.967  -6.967
  290    HG   LEU  41           HG       LEU  41  51.744  -0.999  -7.405
  291   1HD1  LEU  41          1HD1      LEU  41  51.630  -3.268  -6.527
  292   2HD1  LEU  41          2HD1      LEU  41  49.909  -3.062  -6.205
  293   3HD1  LEU  41          3HD1      LEU  41  51.093  -2.091  -5.330
  294   1HD2  LEU  41          1HD2      LEU  41  50.570  -1.381  -9.478
  295   2HD2  LEU  41          2HD2      LEU  41  49.528  -2.573  -8.704
  296   3HD2  LEU  41          3HD2      LEU  41  51.250  -2.899  -8.895
  297    H    GLN  42           H        GLN  42  47.256   0.621  -8.994
  298    HA   GLN  42           HA       GLN  42  46.393   3.174  -7.968
  299   1HB   GLN  42          1HB       GLN  42  45.688   2.317 -10.198
  300   2HB   GLN  42          2HB       GLN  42  44.797   1.033  -9.390
  301   1HG   GLN  42          1HG       GLN  42  43.379   2.694  -8.302
  302   2HG   GLN  42          2HG       GLN  42  44.271   3.984  -9.105
  303   1HE2  GLN  42          1HE2      GLN  42  43.469   0.943 -10.628
  304   2HE2  GLN  42          2HE2      GLN  42  42.327   1.587 -11.753
  305    H    VAL  43           H        VAL  43  45.567   3.482  -6.032
  306    HA   VAL  43           HA       VAL  43  44.964   1.301  -4.280
  307    HB   VAL  43           HB       VAL  43  44.461   4.263  -3.898
  308   1HG1  VAL  43          1HG1      VAL  43  44.578   2.020  -1.884
  309   2HG1  VAL  43          2HG1      VAL  43  43.128   2.890  -2.384
  310   3HG1  VAL  43          3HG1      VAL  43  44.407   3.733  -1.508
  311   1HG2  VAL  43          1HG2      VAL  43  46.820   3.782  -4.296
  312   2HG2  VAL  43          2HG2      VAL  43  46.791   2.552  -3.030
  313   3HG2  VAL  43          3HG2      VAL  43  46.547   4.251  -2.618
  314    H    LEU  44           H        LEU  44  43.203   0.129  -4.752
  315    HA   LEU  44           HA       LEU  44  40.759   1.403  -5.667
  316   1HB   LEU  44          1HB       LEU  44  41.297  -1.497  -5.016
  317   2HB   LEU  44          2HB       LEU  44  39.891  -0.868  -5.848
  318    HG   LEU  44           HG       LEU  44  42.720  -0.836  -6.904
  319   1HD1  LEU  44          1HD1      LEU  44  40.313  -2.463  -7.704
  320   2HD1  LEU  44          2HD1      LEU  44  41.738  -3.065  -6.858
  321   3HD1  LEU  44          3HD1      LEU  44  41.879  -2.471  -8.513
  322   1HD2  LEU  44          1HD2      LEU  44  41.700  -0.066  -8.995
  323   2HD2  LEU  44          2HD2      LEU  44  41.461   1.093  -7.686
  324   3HD2  LEU  44          3HD2      LEU  44  40.135   0.042  -8.185
  325    H    LYS  45           H        LYS  45  39.591   2.397  -4.143
  326    HA   LYS  45           HA       LYS  45  39.381   1.169  -1.484
  327   1HB   LYS  45          1HB       LYS  45  38.628   3.924  -2.479
  328   2HB   LYS  45          2HB       LYS  45  38.324   3.351  -0.847
  329   1HG   LYS  45          1HG       LYS  45  40.685   3.150  -0.422
  330   2HG   LYS  45          2HG       LYS  45  41.053   3.568  -2.097
  331   1HD   LYS  45          1HD       LYS  45  40.137   5.783  -1.788
  332   2HD   LYS  45          2HD       LYS  45  39.616   5.372  -0.155
  333   1HE   LYS  45          1HE       LYS  45  41.904   5.136   0.566
  334   2HE   LYS  45          2HE       LYS  45  42.483   5.386  -1.081
  335   1HZ   LYS  45          1HZ       LYS  45  40.891   7.419   0.373
  336   2HZ   LYS  45          2HZ       LYS  45  41.814   7.626  -1.035
  337   3HZ   LYS  45          3HZ       LYS  45  42.585   7.367   0.451
  338    H    ALA  46           H        ALA  46  37.918  -0.487  -1.920
  339    HA   ALA  46           HA       ALA  46  35.342   0.283  -3.092
  340   1HB   ALA  46          1HB       ALA  46  34.938  -2.079  -3.421
  341   2HB   ALA  46          2HB       ALA  46  36.409  -2.481  -2.534
  342   3HB   ALA  46          3HB       ALA  46  36.514  -1.643  -4.081
  343    H    CYS  47           H        CYS  47  34.513   1.347  -1.295
  344    HA   CYS  47           HA       CYS  47  33.467   1.644   0.695
  345   1HB   CYS  47          1HB       CYS  47  31.650   0.045   1.116
  346   2HB   CYS  47          2HB       CYS  47  31.754   0.493  -0.581
  347    HG   CYS  47           HG       CYS  47  33.550  -2.153  -0.367
  348    H    GLY  48           H        GLY  48  36.094   0.634   1.112
  349   1HA   GLY  48          1HA       GLY  48  36.844   0.346   3.451
  350   2HA   GLY  48          2HA       GLY  48  35.648  -0.935   3.579
  351    H    ALA  49           H        ALA  49  36.231  -2.009   0.931
  352    HA   ALA  49           HA       ALA  49  38.540  -3.603   1.664
  353   1HB   ALA  49          1HB       ALA  49  36.720  -3.796  -0.739
  354   2HB   ALA  49          2HB       ALA  49  36.552  -4.708   0.760
  355   3HB   ALA  49          3HB       ALA  49  37.952  -4.971  -0.279
  356    H    VAL  50           H        VAL  50  40.500  -2.851   1.208
  357    HA   VAL  50           HA       VAL  50  40.827  -1.220  -1.215
  358    HB   VAL  50           HB       VAL  50  41.447  -0.054   0.841
  359   1HG1  VAL  50          1HG1      VAL  50  43.376  -0.753   2.172
  360   2HG1  VAL  50          2HG1      VAL  50  43.500  -2.230   1.214
  361   3HG1  VAL  50          3HG1      VAL  50  42.081  -1.948   2.225
  362   1HG2  VAL  50          1HG2      VAL  50  42.629   0.500  -1.209
  363   2HG2  VAL  50          2HG2      VAL  50  43.832  -0.746  -0.867
  364   3HG2  VAL  50          3HG2      VAL  50  43.695   0.660   0.189
  365    H    ASP  51           H        ASP  51  41.905  -2.023  -2.871
  366    HA   ASP  51           HA       ASP  51  43.943  -4.071  -2.367
  367   1HB   ASP  51          1HB       ASP  51  41.599  -4.927  -3.248
  368   2HB   ASP  51          2HB       ASP  51  42.217  -4.354  -4.795
  369    H    TYR  52           H        TYR  52  45.207  -4.418  -4.562
  370    HA   TYR  52           HA       TYR  52  45.816  -1.685  -5.463
  371   1HB   TYR  52          1HB       TYR  52  47.716  -3.958  -4.868
  372   2HB   TYR  52          2HB       TYR  52  48.191  -2.435  -5.616
  373    HD1  TYR  52           HD1      TYR  52  47.121  -4.052  -2.505
  374    HD2  TYR  52           HD2      TYR  52  48.249  -0.377  -4.325
  375    HE1  TYR  52           HE1      TYR  52  47.396  -3.042  -0.282
  376    HE2  TYR  52           HE2      TYR  52  48.528   0.642  -2.106
  377    HH   TYR  52           HH       TYR  52  47.769   0.323   0.170
  378    H    PHE  53           H        PHE  53  45.570  -1.329  -7.511
  379    HA   PHE  53           HA       PHE  53  45.443  -3.588  -9.381
  380   1HB   PHE  53          1HB       PHE  53  43.501  -2.029  -9.209
  381   2HB   PHE  53          2HB       PHE  53  44.544  -0.720  -9.748
  382    HD1  PHE  53           HD1      PHE  53  42.905  -3.854 -10.741
  383    HD2  PHE  53           HD2      PHE  53  45.094  -0.447 -12.049
  384    HE1  PHE  53           HE1      PHE  53  42.348  -4.395 -13.072
  385    HE2  PHE  53           HE2      PHE  53  44.542  -0.986 -14.384
  386    HZ   PHE  53           HZ       PHE  53  43.168  -2.963 -14.899
  387    H    CYS  54           H        CYS  54  46.931  -3.839 -10.957
  388    HA   CYS  54           HA       CYS  54  49.211  -2.034 -10.940
  389   1HB   CYS  54          1HB       CYS  54  49.587  -4.463 -10.862
  390   2HB   CYS  54          2HB       CYS  54  48.768  -4.641 -12.409
  391    H    GLN  55           H        GLN  55  48.867  -0.234 -12.099
  392    HA   GLN  55           HA       GLN  55  47.288  -0.168 -14.475
  393   1HB   GLN  55          1HB       GLN  55  49.239   1.899 -13.464
  394   2HB   GLN  55          2HB       GLN  55  47.968   2.151 -14.658
  395   1HG   GLN  55          1HG       GLN  55  46.275   1.734 -13.010
  396   2HG   GLN  55          2HG       GLN  55  47.503   1.327 -11.818
  397   1HE2  GLN  55          1HE2      GLN  55  48.837   3.011 -10.995
  398   2HE2  GLN  55          2HE2      GLN  55  48.342   4.667 -11.094
  399    H    HIS  56           H        HIS  56  48.028  -1.446 -15.973
  400    HA   HIS  56           HA       HIS  56  49.923  -0.756 -17.834
  401   1HB   HIS  56          1HB       HIS  56  51.470  -1.257 -15.768
  402   2HB   HIS  56          2HB       HIS  56  51.170  -2.939 -16.182
  403    HD1  HIS  56           HD1      HIS  56  51.228  -1.739 -19.399
  404    HD2  HIS  56           HD2      HIS  56  54.195  -1.964 -16.486
  405    HE1  HIS  56           HE1      HIS  56  53.405  -1.655 -20.641
  406    HE2  HIS  56           HE2      HIS  56  55.183  -1.949 -18.884
  407    H    GLY  57           H        GLY  57  47.648  -2.739 -16.533
  408   1HA   GLY  57          1HA       GLY  57  46.362  -4.311 -17.697
  409   2HA   GLY  57          2HA       GLY  57  47.662  -4.476 -18.868
  410    H    HIS  58           H        HIS  58  48.288  -4.653 -15.447
  411    HA   HIS  58           HA       HIS  58  48.907  -7.507 -15.754
  412   1HB   HIS  58          1HB       HIS  58  49.825  -5.461 -13.737
  413   2HB   HIS  58          2HB       HIS  58  50.084  -7.184 -13.509
  414    HD2  HIS  58           HD2      HIS  58  50.819  -7.328 -16.938
  415    HE1  HIS  58           HE1      HIS  58  54.332  -5.447 -15.496
  416    HE2  HIS  58           HE2      HIS  58  53.264  -6.670 -17.416
  417    H    GLY  59           H        GLY  59  46.512  -5.499 -14.576
  418   1HA   GLY  59          1HA       GLY  59  44.517  -6.098 -13.577
  419   2HA   GLY  59          2HA       GLY  59  45.148  -7.726 -13.375
  420    H    LEU  60           H        LEU  60  44.451  -7.933 -11.264
  421    HA   LEU  60           HA       LEU  60  45.224  -5.984  -9.276
  422   1HB   LEU  60          1HB       LEU  60  43.823  -8.647  -9.067
  423   2HB   LEU  60          2HB       LEU  60  44.160  -7.614  -7.692
  424    HG   LEU  60           HG       LEU  60  42.409  -6.871 -10.040
  425   1HD1  LEU  60          1HD1      LEU  60  40.572  -7.045  -8.441
  426   2HD1  LEU  60          2HD1      LEU  60  41.695  -7.609  -7.204
  427   3HD1  LEU  60          3HD1      LEU  60  41.395  -8.591  -8.639
  428   1HD2  LEU  60          1HD2      LEU  60  41.819  -4.926  -8.693
  429   2HD2  LEU  60          2HD2      LEU  60  43.546  -4.948  -9.050
  430   3HD2  LEU  60          3HD2      LEU  60  42.968  -5.423  -7.453
  431    H    ILE  61           H        ILE  61  46.719  -6.260  -7.663
  432    HA   ILE  61           HA       ILE  61  48.608  -8.491  -8.050
  433    HB   ILE  61           HB       ILE  61  49.125  -5.749  -6.876
  434   1HG1  ILE  61          1HG1      ILE  61  48.823  -5.655  -9.294
  435   2HG1  ILE  61          2HG1      ILE  61  50.517  -5.403  -8.888
  436   1HG2  ILE  61          1HG2      ILE  61  50.514  -7.446  -5.826
  437   2HG2  ILE  61          2HG2      ILE  61  51.484  -6.407  -6.868
  438   3HG2  ILE  61          3HG2      ILE  61  51.032  -8.022  -7.411
  439   1HD1  ILE  61          1HD1      ILE  61  51.007  -7.713  -9.488
  440   2HD1  ILE  61          2HD1      ILE  61  50.275  -6.837 -10.833
  441   3HD1  ILE  61          3HD1      ILE  61  49.309  -7.971  -9.888
  442    H    SER  62           H        SER  62  49.020  -9.822  -6.360
  443    HA   SER  62           HA       SER  62  47.385  -9.907  -4.102
  444   1HB   SER  62          1HB       SER  62  50.162 -11.079  -4.412
  445   2HB   SER  62          2HB       SER  62  48.926 -11.609  -3.269
  446    HG   SER  62           HG       SER  62  47.683 -11.751  -5.495
  447    H    LYS  63           H        LYS  63  47.692  -9.288  -1.959
  448    HA   LYS  63           HA       LYS  63  48.844  -6.748  -1.648
  449   1HB   LYS  63          1HB       LYS  63  48.017  -8.680   0.522
  450   2HB   LYS  63          2HB       LYS  63  48.234  -6.944   0.707
  451   1HG   LYS  63          1HG       LYS  63  46.390  -6.557  -0.869
  452   2HG   LYS  63          2HG       LYS  63  46.156  -8.300  -1.006
  453   1HD   LYS  63          1HD       LYS  63  45.815  -8.332   1.493
  454   2HD   LYS  63          2HD       LYS  63  45.780  -6.570   1.429
  455   1HE   LYS  63          1HE       LYS  63  43.918  -8.427  -0.049
  456   2HE   LYS  63          2HE       LYS  63  43.526  -7.539   1.422
  457   1HZ   LYS  63          1HZ       LYS  63  42.636  -6.290  -0.320
  458   2HZ   LYS  63          2HZ       LYS  63  44.007  -6.463  -1.301
  459   3HZ   LYS  63          3HZ       LYS  63  44.060  -5.473   0.075
  460    H    LYS  64           H        LYS  64  50.130  -9.937  -0.975
  461    HA   LYS  64           HA       LYS  64  52.434  -8.841   0.414
  462   1HB   LYS  64          1HB       LYS  64  51.575 -11.643  -0.257
  463   2HB   LYS  64          2HB       LYS  64  53.179 -11.294   0.373
  464   1HG   LYS  64          1HG       LYS  64  52.081 -10.207   2.337
  465   2HG   LYS  64          2HG       LYS  64  50.539 -10.816   1.727
  466   1HD   LYS  64          1HD       LYS  64  51.307 -13.089   1.901
  467   2HD   LYS  64          2HD       LYS  64  52.929 -12.548   2.335
  468   1HE   LYS  64          1HE       LYS  64  52.003 -11.524   4.381
  469   2HE   LYS  64          2HE       LYS  64  50.417 -12.170   3.959
  470   1HZ   LYS  64          1HZ       LYS  64  51.352 -14.407   4.061
  471   2HZ   LYS  64          2HZ       LYS  64  51.533 -13.597   5.542
  472   3HZ   LYS  64          3HZ       LYS  64  52.861 -13.770   4.503
  473    H    ARG  65           H        ARG  65  51.599  -9.015  -2.740
  474    HA   ARG  65           HA       ARG  65  54.297  -9.704  -3.670
  475   1HB   ARG  65          1HB       ARG  65  52.145 -10.644  -4.748
  476   2HB   ARG  65          2HB       ARG  65  51.953  -9.040  -5.441
  477   1HG   ARG  65          1HG       ARG  65  54.234  -9.291  -6.437
  478   2HG   ARG  65          2HG       ARG  65  54.215 -10.967  -5.890
  479   1HD   ARG  65          1HD       ARG  65  52.359  -9.653  -7.862
  480   2HD   ARG  65          2HD       ARG  65  53.532 -10.930  -8.177
  481    HE   ARG  65           HE       ARG  65  51.740 -11.884  -6.255
  482   1HH1  ARG  65          1HH1      ARG  65  51.835 -11.024  -9.642
  483   2HH1  ARG  65          2HH1      ARG  65  50.421 -11.951 -10.062
  484   1HH2  ARG  65          1HH2      ARG  65  49.901 -13.129  -6.789
  485   2HH2  ARG  65          2HH2      ARG  65  49.332 -13.178  -8.429
  486    H    VAL  66           H        VAL  66  52.309  -7.096  -2.903
  487    HA   VAL  66           HA       VAL  66  53.349  -5.129  -4.671
  488    HB   VAL  66           HB       VAL  66  52.110  -4.749  -1.935
  489   1HG1  VAL  66          1HG1      VAL  66  51.618  -2.473  -2.710
  490   2HG1  VAL  66          2HG1      VAL  66  52.497  -2.799  -4.205
  491   3HG1  VAL  66          3HG1      VAL  66  53.353  -2.790  -2.663
  492   1HG2  VAL  66          1HG2      VAL  66  50.033  -4.281  -3.156
  493   2HG2  VAL  66          2HG2      VAL  66  50.593  -5.935  -3.412
  494   3HG2  VAL  66          3HG2      VAL  66  50.832  -4.717  -4.666
  495    H    GLU  67           H        GLU  67  55.301  -4.178  -4.615
  496    HA   GLU  67           HA       GLU  67  56.979  -4.595  -2.279
  497   1HB   GLU  67          1HB       GLU  67  57.928  -4.910  -4.557
  498   2HB   GLU  67          2HB       GLU  67  57.652  -3.202  -4.881
  499   1HG   GLU  67          1HG       GLU  67  59.209  -2.569  -3.161
  500   2HG   GLU  67          2HG       GLU  67  59.397  -4.248  -2.663
  501    H    PHE  68           H        PHE  68  56.411  -3.294  -0.668
  502    HA   PHE  68           HA       PHE  68  55.629  -0.554  -1.138
  503   1HB   PHE  68          1HB       PHE  68  56.032  -2.108   1.426
  504   2HB   PHE  68          2HB       PHE  68  55.461  -0.445   1.353
  505    HD1  PHE  68           HD1      PHE  68  53.273   0.052   0.282
  506    HD2  PHE  68           HD2      PHE  68  54.570  -3.927   1.051
  507    HE1  PHE  68           HE1      PHE  68  50.956  -0.742   0.054
  508    HE2  PHE  68           HE2      PHE  68  52.254  -4.728   0.829
  509    HZ   PHE  68           HZ       PHE  68  50.444  -3.136   0.328
  510    H    VAL  69           H        VAL  69  57.287   0.646  -1.840
  511    HA   VAL  69           HA       VAL  69  59.790   0.565  -0.320
  512    HB   VAL  69           HB       VAL  69  60.770   1.884  -2.145
  513   1HG1  VAL  69          1HG1      VAL  69  60.665   0.175  -3.910
  514   2HG1  VAL  69          2HG1      VAL  69  59.290  -0.567  -3.091
  515   3HG1  VAL  69          3HG1      VAL  69  60.868  -0.531  -2.307
  516   1HG2  VAL  69          1HG2      VAL  69  58.837   3.156  -2.844
  517   2HG2  VAL  69          2HG2      VAL  69  58.036   1.687  -3.403
  518   3HG2  VAL  69          3HG2      VAL  69  59.491   2.265  -4.218
  519    H    LEU  70           H        LEU  70  60.825   2.926  -0.313
  520    HA   LEU  70           HA       LEU  70  58.931   4.464   1.266
  521   1HB   LEU  70          1HB       LEU  70  61.866   4.971   0.768
  522   2HB   LEU  70          2HB       LEU  70  60.864   5.750   1.980
  523    HG   LEU  70           HG       LEU  70  61.610   2.824   1.924
  524   1HD1  LEU  70          1HD1      LEU  70  62.893   3.350   3.930
  525   2HD1  LEU  70          2HD1      LEU  70  62.473   5.054   3.752
  526   3HD1  LEU  70          3HD1      LEU  70  63.470   4.260   2.533
  527   1HD2  LEU  70          1HD2      LEU  70  59.382   3.152   2.852
  528   2HD2  LEU  70          2HD2      LEU  70  60.006   4.390   3.942
  529   3HD2  LEU  70          3HD2      LEU  70  60.531   2.715   4.118
  530    H    ALA  71           H        ALA  71  57.994   6.305   0.658
  531    HA   ALA  71           HA       ALA  71  57.995   7.028  -2.078
  532   1HB   ALA  71          1HB       ALA  71  56.484   8.821  -1.418
  533   2HB   ALA  71          2HB       ALA  71  56.876   8.539   0.280
  534   3HB   ALA  71          3HB       ALA  71  56.031   7.300  -0.650
  Start of MODEL    6
    1    H    MET   1           H        MET   1  57.166  -5.569  13.330
    2    HA   MET   1           HA       MET   1  58.988  -5.803  11.793
    3   1HB   MET   1          1HB       MET   1  58.247  -2.903  12.243
    4   2HB   MET   1          2HB       MET   1  58.920  -3.567  10.761
    5   1HG   MET   1          1HG       MET   1  56.924  -4.986  10.524
    6   2HG   MET   1          2HG       MET   1  56.249  -4.238  11.970
    7   1HE   MET   1          1HE       MET   1  56.987  -2.075   7.966
    8   2HE   MET   1          2HE       MET   1  57.191  -3.809   8.218
    9   3HE   MET   1          3HE       MET   1  58.302  -2.670   8.979
   10    H    GLU   2           H        GLU   2  61.134  -5.640  11.367
   11    HA   GLU   2           HA       GLU   2  62.720  -4.050  13.271
   12   1HB   GLU   2          1HB       GLU   2  63.397  -6.702  11.996
   13   2HB   GLU   2          2HB       GLU   2  64.556  -5.723  12.884
   14   1HG   GLU   2          1HG       GLU   2  63.937  -6.932  14.642
   15   2HG   GLU   2          2HG       GLU   2  62.508  -5.900  14.664
   16    H    LEU   3           H        LEU   3  61.623  -3.286  10.684
   17    HA   LEU   3           HA       LEU   3  63.854  -3.007   8.903
   18   1HB   LEU   3          1HB       LEU   3  61.197  -1.569   9.025
   19   2HB   LEU   3          2HB       LEU   3  62.393  -1.306   7.770
   20    HG   LEU   3           HG       LEU   3  60.935  -3.893   8.312
   21   1HD1  LEU   3          1HD1      LEU   3  59.517  -2.196   7.304
   22   2HD1  LEU   3          2HD1      LEU   3  59.889  -3.467   6.140
   23   3HD1  LEU   3          3HD1      LEU   3  60.721  -1.915   6.047
   24   1HD2  LEU   3          1HD2      LEU   3  62.016  -4.695   6.270
   25   2HD2  LEU   3          2HD2      LEU   3  63.202  -4.300   7.513
   26   3HD2  LEU   3          3HD2      LEU   3  62.936  -3.194   6.164
   27    H    HIS   4           H        HIS   4  65.061  -1.084   8.545
   28    HA   HIS   4           HA       HIS   4  64.908   0.855  10.754
   29   1HB   HIS   4          1HB       HIS   4  67.464  -0.214   9.529
   30   2HB   HIS   4          2HB       HIS   4  67.348   0.973  10.824
   31    HD1  HIS   4           HD1      HIS   4  68.088  -2.434  10.381
   32    HD2  HIS   4           HD2      HIS   4  65.761  -0.340  13.118
   33    HE1  HIS   4           HE1      HIS   4  67.823  -3.964  12.361
   34    HE2  HIS   4           HE2      HIS   4  66.225  -2.764  13.897
   35    H    CYS   5           H        CYS   5  65.745   2.979  10.224
   36    HA   CYS   5           HA       CYS   5  64.976   3.768   7.586
   37   1HB   CYS   5          1HB       CYS   5  66.415   5.469   9.623
   38   2HB   CYS   5          2HB       CYS   5  65.375   6.009   8.312
   39    HA   PRO   6           HA       PRO   6  69.001   3.003   5.793
   40   1HB   PRO   6          1HB       PRO   6  68.500   4.271   3.408
   41   2HB   PRO   6          2HB       PRO   6  67.990   2.620   3.776
   42   1HG   PRO   6          1HG       PRO   6  66.418   5.163   3.889
   43   2HG   PRO   6          2HG       PRO   6  65.925   3.565   3.299
   44   1HD   PRO   6          1HD       PRO   6  65.187   4.482   5.721
   45   2HD   PRO   6          2HD       PRO   6  65.522   2.764   5.432
   46    H    GLN   7           H        GLN   7  67.480   6.086   6.177
   47    HA   GLN   7           HA       GLN   7  70.043   7.471   5.837
   48   1HB   GLN   7          1HB       GLN   7  68.245   8.421   4.525
   49   2HB   GLN   7          2HB       GLN   7  67.205   8.508   5.938
   50   1HG   GLN   7          1HG       GLN   7  68.796  10.133   6.938
   51   2HG   GLN   7          2HG       GLN   7  69.695  10.114   5.422
   52   1HE2  GLN   7          1HE2      GLN   7  68.260  12.279   6.807
   53   2HE2  GLN   7          2HE2      GLN   7  67.134  12.893   5.644
   54    H    CYS   8           H        CYS   8  67.193   7.971   7.894
   55    HA   CYS   8           HA       CYS   8  68.818   9.229   9.892
   56   1HB   CYS   8          1HB       CYS   8  66.505   9.425  11.021
   57   2HB   CYS   8          2HB       CYS   8  66.780  10.294   9.514
   58    H    GLN   9           H        GLN   9  68.611   6.105   9.370
   59    HA   GLN   9           HA       GLN   9  68.900   4.216  10.602
   60   1HB   GLN   9          1HB       GLN   9  69.960   6.235  12.580
   61   2HB   GLN   9          2HB       GLN   9  70.220   4.502  12.684
   62   1HG   GLN   9          1HG       GLN   9  71.236   6.382  10.571
   63   2HG   GLN   9          2HG       GLN   9  72.177   5.500  11.772
   64   1HE2  GLN   9          1HE2      GLN   9  70.658   5.397   8.704
   65   2HE2  GLN   9          2HE2      GLN   9  71.130   3.793   8.272
   66    H    HIS  10           H        HIS  10  68.891   4.020  13.505
   67    HA   HIS  10           HA       HIS  10  67.546   3.572  15.251
   68   1HB   HIS  10          1HB       HIS  10  65.776   5.637  13.952
   69   2HB   HIS  10          2HB       HIS  10  65.311   4.799  15.429
   70    HD1  HIS  10           HD1      HIS  10  65.377   7.345  16.411
   71    HD2  HIS  10           HD2      HIS  10  69.029   5.607  15.449
   72    HE1  HIS  10           HE1      HIS  10  67.112   8.731  17.576
   73    HE2  HIS  10           HE2      HIS  10  69.324   7.764  16.849
   74    H    VAL  11           H        VAL  11  64.622   3.996  13.342
   75    HA   VAL  11           HA       VAL  11  64.449   1.252  12.572
   76    HB   VAL  11           HB       VAL  11  64.148   1.107  15.065
   77   1HG1  VAL  11          1HG1      VAL  11  61.571   2.565  14.500
   78   2HG1  VAL  11          2HG1      VAL  11  62.935   3.180  15.431
   79   3HG1  VAL  11          3HG1      VAL  11  62.011   1.803  16.029
   80   1HG2  VAL  11          1HG2      VAL  11  62.186  -0.380  14.964
   81   2HG2  VAL  11          2HG2      VAL  11  63.316  -0.656  13.638
   82   3HG2  VAL  11          3HG2      VAL  11  61.823   0.239  13.353
   83    H    LEU  12           H        LEU  12  62.711   0.819  11.269
   84    HA   LEU  12           HA       LEU  12  60.830   3.026  10.762
   85   1HB   LEU  12          1HB       LEU  12  61.976   0.921   8.956
   86   2HB   LEU  12          2HB       LEU  12  60.434   1.664   8.580
   87    HG   LEU  12           HG       LEU  12  63.041   3.155   8.901
   88   1HD1  LEU  12          1HD1      LEU  12  63.044   1.762   6.905
   89   2HD1  LEU  12          2HD1      LEU  12  62.893   3.465   6.472
   90   3HD1  LEU  12          3HD1      LEU  12  61.476   2.415   6.430
   91   1HD2  LEU  12          1HD2      LEU  12  60.313   4.073   7.992
   92   2HD2  LEU  12          2HD2      LEU  12  61.783   5.047   7.979
   93   3HD2  LEU  12          3HD2      LEU  12  61.100   4.501   9.511
   94    H    ASP  13           H        ASP  13  59.573   2.302  12.541
   95    HA   ASP  13           HA       ASP  13  58.237  -0.277  12.246
   96   1HB   ASP  13          1HB       ASP  13  59.140   0.608  14.474
   97   2HB   ASP  13          2HB       ASP  13  57.803   1.752  14.436
   98    H    GLN  14           H        GLN  14  56.667  -0.172  10.763
   99    HA   GLN  14           HA       GLN  14  55.372   2.372  10.238
  100   1HB   GLN  14          1HB       GLN  14  54.989  -0.221   8.754
  101   2HB   GLN  14          2HB       GLN  14  54.670   1.408   8.177
  102   1HG   GLN  14          1HG       GLN  14  57.043   1.898   8.178
  103   2HG   GLN  14          2HG       GLN  14  57.390   0.293   8.819
  104   1HE2  GLN  14          1HE2      GLN  14  58.316   1.503   6.373
  105   2HE2  GLN  14          2HE2      GLN  14  57.779   0.486   5.083
  106    H    ASP  15           H        ASP  15  53.216   2.788  10.417
  107    HA   ASP  15           HA       ASP  15  51.515   1.170  12.003
  108   1HB   ASP  15          1HB       ASP  15  50.784   3.332  10.000
  109   2HB   ASP  15          2HB       ASP  15  49.712   2.672  11.228
  110    H    ASN  16           H        ASN  16  51.270   2.027   8.585
  111    HA   ASN  16           HA       ASN  16  51.216  -0.577   7.557
  112   1HB   ASN  16          1HB       ASN  16  48.968  -0.593   8.714
  113   2HB   ASN  16          2HB       ASN  16  48.472   0.707   7.634
  114   1HD2  ASN  16          1HD2      ASN  16  50.513  -2.032   6.786
  115   2HD2  ASN  16          2HD2      ASN  16  49.399  -2.741   5.671
  116    H    GLY  17           H        GLY  17  52.375   0.062   5.821
  117   1HA   GLY  17          1HA       GLY  17  52.660   0.941   3.685
  118   2HA   GLY  17          2HA       GLY  17  51.128   1.789   3.860
  119    H    HIS  18           H        HIS  18  51.245   3.529   5.678
  120    HA   HIS  18           HA       HIS  18  53.356   5.357   4.995
  121   1HB   HIS  18          1HB       HIS  18  51.099   6.203   5.417
  122   2HB   HIS  18          2HB       HIS  18  51.134   5.547   7.047
  123    HD1  HIS  18           HD1      HIS  18  52.551   8.346   4.958
  124    HD2  HIS  18           HD2      HIS  18  52.392   7.129   8.935
  125    HE1  HIS  18           HE1      HIS  18  53.397  10.294   6.301
  126    HE2  HIS  18           HE2      HIS  18  53.001   9.625   8.697
  127    H    ALA  19           H        ALA  19  55.286   5.389   5.909
  128    HA   ALA  19           HA       ALA  19  55.719   3.759   8.289
  129   1HB   ALA  19          1HB       ALA  19  57.719   4.978   6.389
  130   2HB   ALA  19          2HB       ALA  19  57.094   3.331   6.305
  131   3HB   ALA  19          3HB       ALA  19  58.070   3.833   7.685
  132    H    ARG  20           H        ARG  20  55.349   4.924  10.116
  133    HA   ARG  20           HA       ARG  20  56.513   7.585  10.323
  134   1HB   ARG  20          1HB       ARG  20  54.331   7.345  11.354
  135   2HB   ARG  20          2HB       ARG  20  54.887   5.972  12.305
  136   1HG   ARG  20          1HG       ARG  20  56.462   7.431  13.485
  137   2HG   ARG  20          2HG       ARG  20  55.888   8.806  12.544
  138   1HD   ARG  20          1HD       ARG  20  53.693   8.614  13.524
  139   2HD   ARG  20          2HD       ARG  20  54.161   7.137  14.369
  140    HE   ARG  20           HE       ARG  20  55.918   8.734  15.424
  141   1HH1  ARG  20          1HH1      ARG  20  52.585   9.517  14.664
  142   2HH1  ARG  20          2HH1      ARG  20  52.462  10.718  15.916
  143   1HH2  ARG  20          1HH2      ARG  20  55.758  10.330  17.048
  144   2HH2  ARG  20          2HH2      ARG  20  54.276  11.219  17.235
  145    H    CYS  21           H        CYS  21  58.525   7.846  10.962
  146    HA   CYS  21           HA       CYS  21  60.093   5.749  12.085
  147   1HB   CYS  21          1HB       CYS  21  60.599   8.731  11.976
  148   2HB   CYS  21          2HB       CYS  21  61.791   7.520  12.419
  149    H    ARG  22           H        ARG  22  59.036   5.059  13.995
  150    HA   ARG  22           HA       ARG  22  58.003   6.760  15.946
  151   1HB   ARG  22          1HB       ARG  22  58.998   3.925  16.134
  152   2HB   ARG  22          2HB       ARG  22  58.303   4.768  17.512
  153   1HG   ARG  22          1HG       ARG  22  56.304   5.208  15.930
  154   2HG   ARG  22          2HG       ARG  22  56.984   3.888  14.978
  155   1HD   ARG  22          1HD       ARG  22  56.327   3.694  17.912
  156   2HD   ARG  22          2HD       ARG  22  55.234   3.194  16.624
  157    HE   ARG  22           HE       ARG  22  57.075   1.609  15.976
  158   1HH1  ARG  22          1HH1      ARG  22  56.653   2.723  19.271
  159   2HH1  ARG  22          2HH1      ARG  22  57.383   1.306  19.977
  160   1HH2  ARG  22          1HH2      ARG  22  57.995  -0.282  16.900
  161   2HH2  ARG  22          2HH2      ARG  22  58.156  -0.393  18.633
  162    H    SER  23           H        SER  23  61.125   5.020  16.099
  163    HA   SER  23           HA       SER  23  61.930   6.419  18.431
  164   1HB   SER  23          1HB       SER  23  63.679   4.858  16.520
  165   2HB   SER  23          2HB       SER  23  64.010   5.221  18.216
  166    HG   SER  23           HG       SER  23  63.138   3.260  18.379
  167    H    CYS  24           H        CYS  24  61.892   7.394  15.198
  168    HA   CYS  24           HA       CYS  24  64.103   9.274  15.554
  169   1HB   CYS  24          1HB       CYS  24  62.251   9.058  13.183
  170   2HB   CYS  24          2HB       CYS  24  63.791   9.897  13.257
  171    H    GLY  25           H        GLY  25  60.600   9.290  14.947
  172   1HA   GLY  25          1HA       GLY  25  59.118  10.939  15.853
  173   2HA   GLY  25          2HA       GLY  25  60.466  12.067  15.916
  174    H    GLU  26           H        GLU  26  60.273  10.185  13.089
  175    HA   GLU  26           HA       GLU  26  59.539  12.579  11.556
  176   1HB   GLU  26          1HB       GLU  26  60.912  10.094  10.544
  177   2HB   GLU  26          2HB       GLU  26  60.810  11.661   9.754
  178   1HG   GLU  26          1HG       GLU  26  62.382  12.614  11.148
  179   2HG   GLU  26          2HG       GLU  26  62.153  11.397  12.405
  180    H    PHE  27           H        PHE  27  58.572  12.032   9.351
  181    HA   PHE  27           HA       PHE  27  56.727   9.746   9.451
  182   1HB   PHE  27          1HB       PHE  27  56.045  12.570   8.588
  183   2HB   PHE  27          2HB       PHE  27  55.001  11.175   8.349
  184    HD1  PHE  27           HD1      PHE  27  53.885  10.118  10.241
  185    HD2  PHE  27           HD2      PHE  27  56.277  13.604  10.740
  186    HE1  PHE  27           HE1      PHE  27  52.870  10.495  12.450
  187    HE2  PHE  27           HE2      PHE  27  55.268  13.981  12.950
  188    HZ   PHE  27           HZ       PHE  27  53.563  12.428  13.810
  189    H    ILE  28           H        ILE  28  57.192   8.451   7.768
  190    HA   ILE  28           HA       ILE  28  58.248   9.706   5.319
  191    HB   ILE  28           HB       ILE  28  58.720   6.910   6.368
  192   1HG1  ILE  28          1HG1      ILE  28  60.579   9.276   6.037
  193   2HG1  ILE  28          2HG1      ILE  28  60.006   8.610   7.563
  194   1HG2  ILE  28          1HG2      ILE  28  60.224   6.623   4.459
  195   2HG2  ILE  28          2HG2      ILE  28  59.748   8.207   3.846
  196   3HG2  ILE  28          3HG2      ILE  28  58.563   6.905   3.937
  197   1HD1  ILE  28          1HD1      ILE  28  61.206   6.536   7.105
  198   2HD1  ILE  28          2HD1      ILE  28  62.291   7.926   7.089
  199   3HD1  ILE  28          3HD1      ILE  28  61.768   7.196   5.571
  200    H    GLU  29           H        GLU  29  57.230   9.396   3.451
  201    HA   GLU  29           HA       GLU  29  54.802   7.778   3.405
  202   1HB   GLU  29          1HB       GLU  29  55.944   9.885   1.575
  203   2HB   GLU  29          2HB       GLU  29  54.570   8.893   1.106
  204   1HG   GLU  29          1HG       GLU  29  54.508  10.400   3.680
  205   2HG   GLU  29          2HG       GLU  29  54.195  11.233   2.158
  206    H    MET  30           H        MET  30  54.489   6.087   1.962
  207    HA   MET  30           HA       MET  30  56.843   5.284   0.389
  208   1HB   MET  30          1HB       MET  30  55.143   3.646   2.214
  209   2HB   MET  30          2HB       MET  30  55.816   2.887   0.777
  210   1HG   MET  30          1HG       MET  30  58.067   3.708   1.523
  211   2HG   MET  30          2HG       MET  30  57.307   4.176   3.042
  212   1HE   MET  30          1HE       MET  30  59.425   2.590   3.944
  213   2HE   MET  30          2HE       MET  30  59.786   2.013   2.318
  214   3HE   MET  30          3HE       MET  30  59.502   0.858   3.620
  215    H    LYS  31           H        LYS  31  56.445   4.106  -1.509
  216    HA   LYS  31           HA       LYS  31  53.807   4.671  -2.676
  217   1HB   LYS  31          1HB       LYS  31  56.432   4.269  -4.123
  218   2HB   LYS  31          2HB       LYS  31  54.906   4.770  -4.836
  219   1HG   LYS  31          1HG       LYS  31  54.989   6.851  -3.563
  220   2HG   LYS  31          2HG       LYS  31  56.521   6.348  -2.844
  221   1HD   LYS  31          1HD       LYS  31  57.504   6.253  -5.115
  222   2HD   LYS  31          2HD       LYS  31  55.985   6.870  -5.767
  223   1HE   LYS  31          1HE       LYS  31  57.715   8.285  -3.743
  224   2HE   LYS  31          2HE       LYS  31  57.689   8.631  -5.471
  225   1HZ   LYS  31          1HZ       LYS  31  56.321  10.163  -4.132
  226   2HZ   LYS  31          2HZ       LYS  31  55.322   8.866  -3.682
  227   3HZ   LYS  31          3HZ       LYS  31  55.425   9.333  -5.304
  228    H    ALA  32           H        ALA  32  52.595   3.005  -3.276
  229    HA   ALA  32           HA       ALA  32  53.636   0.312  -3.064
  230   1HB   ALA  32          1HB       ALA  32  50.880   1.290  -3.812
  231   2HB   ALA  32          2HB       ALA  32  51.412   0.830  -2.194
  232   3HB   ALA  32          3HB       ALA  32  51.327  -0.382  -3.472
  233    H    LEU  33           H        LEU  33  54.793  -0.449  -4.721
  234    HA   LEU  33           HA       LEU  33  53.895   0.210  -7.452
  235   1HB   LEU  33          1HB       LEU  33  56.699  -0.466  -6.560
  236   2HB   LEU  33          2HB       LEU  33  56.202   0.001  -8.174
  237    HG   LEU  33           HG       LEU  33  56.140   1.776  -5.730
  238   1HD1  LEU  33          1HD1      LEU  33  57.944   1.749  -8.143
  239   2HD1  LEU  33          2HD1      LEU  33  58.396   1.350  -6.485
  240   3HD1  LEU  33          3HD1      LEU  33  57.923   2.999  -6.898
  241   1HD2  LEU  33          1HD2      LEU  33  55.609   3.567  -7.326
  242   2HD2  LEU  33          2HD2      LEU  33  54.345   2.340  -7.257
  243   3HD2  LEU  33          3HD2      LEU  33  55.475   2.366  -8.612
  244    H    CYS  34           H        CYS  34  54.203  -1.419  -9.066
  245    HA   CYS  34           HA       CYS  34  53.809  -4.116  -8.111
  246   1HB   CYS  34          1HB       CYS  34  52.652  -3.087 -10.127
  247   2HB   CYS  34          2HB       CYS  34  54.192  -3.195 -10.968
  248    HA   PRO  35           HA       PRO  35  58.061  -4.872  -7.542
  249   1HB   PRO  35          1HB       PRO  35  58.038  -7.623  -7.811
  250   2HB   PRO  35          2HB       PRO  35  57.602  -6.736  -6.348
  251   1HG   PRO  35          1HG       PRO  35  55.829  -7.873  -8.472
  252   2HG   PRO  35          2HG       PRO  35  55.617  -7.879  -6.710
  253   1HD   PRO  35          1HD       PRO  35  54.271  -6.162  -8.247
  254   2HD   PRO  35          2HD       PRO  35  54.908  -5.667  -6.664
  255    H    ASP  36           H        ASP  36  56.573  -6.089 -10.494
  256    HA   ASP  36           HA       ASP  36  59.224  -6.737 -11.559
  257   1HB   ASP  36          1HB       ASP  36  58.139  -8.027 -13.242
  258   2HB   ASP  36          2HB       ASP  36  57.317  -8.391 -11.727
  259    H    CYS  37           H        CYS  37  56.332  -4.867 -12.494
  260    HA   CYS  37           HA       CYS  37  57.825  -3.696 -14.700
  261   1HB   CYS  37          1HB       CYS  37  55.615  -2.747 -15.354
  262   2HB   CYS  37          2HB       CYS  37  55.615  -4.494 -15.227
  263    H    HIS  38           H        HIS  38  57.108  -3.002 -11.506
  264    HA   HIS  38           HA       HIS  38  57.668  -1.298 -10.142
  265   1HB   HIS  38          1HB       HIS  38  59.719  -1.324 -11.664
  266   2HB   HIS  38          2HB       HIS  38  59.005   0.068 -12.469
  267    HD1  HIS  38           HD1      HIS  38  60.233  -0.973  -9.028
  268    HD2  HIS  38           HD2      HIS  38  59.536   2.464 -11.267
  269    HE1  HIS  38           HE1      HIS  38  61.145   0.921  -7.661
  270    HE2  HIS  38           HE2      HIS  38  60.533   3.006  -8.939
  271    H    GLN  39           H        GLN  39  55.515  -0.987 -12.575
  272    HA   GLN  39           HA       GLN  39  54.899   1.774 -12.470
  273   1HB   GLN  39          1HB       GLN  39  53.195  -0.617 -13.183
  274   2HB   GLN  39          2HB       GLN  39  52.706   1.056 -13.415
  275   1HG   GLN  39          1HG       GLN  39  55.103  -0.237 -14.690
  276   2HG   GLN  39          2HG       GLN  39  53.542   0.010 -15.467
  277   1HE2  GLN  39          1HE2      GLN  39  56.478   1.506 -14.403
  278   2HE2  GLN  39          2HE2      GLN  39  56.201   3.045 -15.144
  279    HA   PRO  40           HA       PRO  40  53.008   2.195  -8.538
  280   1HB   PRO  40          1HB       PRO  40  51.164   4.160  -9.706
  281   2HB   PRO  40          2HB       PRO  40  52.438   4.393  -8.505
  282   1HG   PRO  40          1HG       PRO  40  52.677   5.322 -11.013
  283   2HG   PRO  40          2HG       PRO  40  54.072   4.707 -10.106
  284   1HD   PRO  40          1HD       PRO  40  52.444   3.351 -12.228
  285   2HD   PRO  40          2HD       PRO  40  54.207   3.375 -12.006
  286    H    LEU  41           H        LEU  41  51.280   1.554  -7.342
  287    HA   LEU  41           HA       LEU  41  49.126   0.223  -8.819
  288   1HB   LEU  41          1HB       LEU  41  49.769  -0.002  -5.881
  289   2HB   LEU  41          2HB       LEU  41  48.716  -1.041  -6.820
  290    HG   LEU  41           HG       LEU  41  51.719  -0.860  -7.040
  291   1HD1  LEU  41          1HD1      LEU  41  49.912  -3.087  -6.121
  292   2HD1  LEU  41          2HD1      LEU  41  50.914  -2.072  -5.084
  293   3HD1  LEU  41          3HD1      LEU  41  51.670  -3.158  -6.249
  294   1HD2  LEU  41          1HD2      LEU  41  50.714  -1.220  -9.235
  295   2HD2  LEU  41          2HD2      LEU  41  49.793  -2.582  -8.593
  296   3HD2  LEU  41          3HD2      LEU  41  51.554  -2.662  -8.666
  297    H    GLN  42           H        GLN  42  47.035   0.778  -8.612
  298    HA   GLN  42           HA       GLN  42  46.412   3.272  -7.252
  299   1HB   GLN  42          1HB       GLN  42  45.589   2.845  -9.550
  300   2HB   GLN  42          2HB       GLN  42  44.673   1.469  -8.953
  301   1HG   GLN  42          1HG       GLN  42  43.387   3.012  -7.507
  302   2HG   GLN  42          2HG       GLN  42  44.250   4.361  -8.243
  303   1HE2  GLN  42          1HE2      GLN  42  41.870   1.880  -8.719
  304   2HE2  GLN  42          2HE2      GLN  42  41.227   2.495 -10.200
  305    H    VAL  43           H        VAL  43  45.401   3.394  -5.340
  306    HA   VAL  43           HA       VAL  43  44.977   0.993  -3.835
  307    HB   VAL  43           HB       VAL  43  44.260   3.836  -3.099
  308   1HG1  VAL  43          1HG1      VAL  43  44.620   1.384  -1.381
  309   2HG1  VAL  43          2HG1      VAL  43  43.094   2.194  -1.737
  310   3HG1  VAL  43          3HG1      VAL  43  44.331   3.020  -0.791
  311   1HG2  VAL  43          1HG2      VAL  43  46.382   3.842  -1.861
  312   2HG2  VAL  43          2HG2      VAL  43  46.630   3.638  -3.596
  313   3HG2  VAL  43          3HG2      VAL  43  46.758   2.248  -2.519
  314    H    LEU  44           H        LEU  44  43.264  -0.244  -4.129
  315    HA   LEU  44           HA       LEU  44  40.751   0.891  -5.050
  316   1HB   LEU  44          1HB       LEU  44  41.532  -1.971  -4.486
  317   2HB   LEU  44          2HB       LEU  44  40.003  -1.460  -5.171
  318    HG   LEU  44           HG       LEU  44  42.712  -1.141  -6.469
  319   1HD1  LEU  44          1HD1      LEU  44  41.958  -3.445  -6.433
  320   2HD1  LEU  44          2HD1      LEU  44  41.852  -2.789  -8.066
  321   3HD1  LEU  44          3HD1      LEU  44  40.394  -2.964  -7.090
  322   1HD2  LEU  44          1HD2      LEU  44  41.466  -0.378  -8.419
  323   2HD2  LEU  44          2HD2      LEU  44  41.186   0.686  -7.040
  324   3HD2  LEU  44          3HD2      LEU  44  39.958  -0.489  -7.512
  325    H    LYS  45           H        LYS  45  40.181   2.080  -3.198
  326    HA   LYS  45           HA       LYS  45  39.699   0.602  -0.740
  327   1HB   LYS  45          1HB       LYS  45  40.670   2.811  -0.501
  328   2HB   LYS  45          2HB       LYS  45  39.352   3.528  -1.419
  329   1HG   LYS  45          1HG       LYS  45  37.780   2.874   0.342
  330   2HG   LYS  45          2HG       LYS  45  39.115   2.193   1.270
  331   1HD   LYS  45          1HD       LYS  45  40.126   4.363   1.509
  332   2HD   LYS  45          2HD       LYS  45  38.939   5.079   0.415
  333   1HE   LYS  45          1HE       LYS  45  38.255   3.767   3.042
  334   2HE   LYS  45          2HE       LYS  45  38.490   5.501   2.833
  335   1HZ   LYS  45          1HZ       LYS  45  36.461   3.907   1.353
  336   2HZ   LYS  45          2HZ       LYS  45  36.632   5.595   1.353
  337   3HZ   LYS  45          3HZ       LYS  45  36.135   4.795   2.763
  338    H    ALA  46           H        ALA  46  37.959  -0.690  -0.973
  339    HA   ALA  46           HA       ALA  46  35.429   0.621  -1.735
  340   1HB   ALA  46          1HB       ALA  46  36.033  -1.246  -3.207
  341   2HB   ALA  46          2HB       ALA  46  34.581  -1.611  -2.274
  342   3HB   ALA  46          3HB       ALA  46  36.129  -2.319  -1.810
  343    H    CYS  47           H        CYS  47  33.516  -0.133  -0.483
  344    HA   CYS  47           HA       CYS  47  34.125  -0.179   2.316
  345   1HB   CYS  47          1HB       CYS  47  31.600  -0.417   2.540
  346   2HB   CYS  47          2HB       CYS  47  32.180   1.036   1.731
  347    HG   CYS  47           HG       CYS  47  29.771  -0.331   0.644
  348    H    GLY  48           H        GLY  48  35.383  -2.083   2.389
  349   1HA   GLY  48          1HA       GLY  48  34.406  -4.297   3.516
  350   2HA   GLY  48          2HA       GLY  48  34.104  -4.626   1.814
  351    H    ALA  49           H        ALA  49  36.158  -3.981   0.428
  352    HA   ALA  49           HA       ALA  49  38.520  -5.104   1.776
  353   1HB   ALA  49          1HB       ALA  49  39.063  -6.354  -0.249
  354   2HB   ALA  49          2HB       ALA  49  37.584  -5.770  -1.014
  355   3HB   ALA  49          3HB       ALA  49  37.492  -6.832   0.392
  356    H    VAL  50           H        VAL  50  40.382  -4.055   1.447
  357    HA   VAL  50           HA       VAL  50  40.474  -2.020  -0.691
  358    HB   VAL  50           HB       VAL  50  42.013  -2.027   1.918
  359   1HG1  VAL  50          1HG1      VAL  50  43.262  -0.979   0.110
  360   2HG1  VAL  50          2HG1      VAL  50  42.707   0.235   1.262
  361   3HG1  VAL  50          3HG1      VAL  50  41.875   0.037  -0.280
  362   1HG2  VAL  50          1HG2      VAL  50  40.623  -0.113   2.541
  363   2HG2  VAL  50          2HG2      VAL  50  39.643  -1.555   2.276
  364   3HG2  VAL  50          3HG2      VAL  50  39.702  -0.291   1.047
  365    H    ASP  51           H        ASP  51  41.782  -2.606  -2.321
  366    HA   ASP  51           HA       ASP  51  44.174  -4.193  -1.672
  367   1HB   ASP  51          1HB       ASP  51  41.988  -5.293  -2.909
  368   2HB   ASP  51          2HB       ASP  51  42.989  -4.820  -4.281
  369    H    TYR  52           H        TYR  52  45.334  -4.405  -4.114
  370    HA   TYR  52           HA       TYR  52  45.641  -1.597  -4.952
  371   1HB   TYR  52          1HB       TYR  52  47.784  -3.698  -4.610
  372   2HB   TYR  52          2HB       TYR  52  48.049  -2.132  -5.367
  373    HD1  TYR  52           HD1      TYR  52  47.986  -3.940  -2.294
  374    HD2  TYR  52           HD2      TYR  52  47.563  -0.046  -3.955
  375    HE1  TYR  52           HE1      TYR  52  48.438  -2.949  -0.086
  376    HE2  TYR  52           HE2      TYR  52  48.016   0.949  -1.754
  377    HH   TYR  52           HH       TYR  52  47.883   0.321   0.615
  378    H    PHE  53           H        PHE  53  45.499  -1.169  -7.044
  379    HA   PHE  53           HA       PHE  53  45.374  -3.428  -8.929
  380   1HB   PHE  53          1HB       PHE  53  43.342  -2.032  -8.777
  381   2HB   PHE  53          2HB       PHE  53  44.290  -0.613  -9.198
  382    HD1  PHE  53           HD1      PHE  53  44.909  -0.162 -11.456
  383    HD2  PHE  53           HD2      PHE  53  42.900  -3.773 -10.447
  384    HE1  PHE  53           HE1      PHE  53  44.471  -0.578 -13.841
  385    HE2  PHE  53           HE2      PHE  53  42.462  -4.199 -12.830
  386    HZ   PHE  53           HZ       PHE  53  43.248  -2.601 -14.529
  387    H    CYS  54           H        CYS  54  47.053  -3.683 -10.252
  388    HA   CYS  54           HA       CYS  54  49.197  -1.840 -10.400
  389   1HB   CYS  54          1HB       CYS  54  49.450  -4.290 -10.739
  390   2HB   CYS  54          2HB       CYS  54  48.568  -4.140 -12.255
  391    H    GLN  55           H        GLN  55  48.591   0.136 -11.159
  392    HA   GLN  55           HA       GLN  55  47.141   0.476 -13.583
  393   1HB   GLN  55          1HB       GLN  55  47.260   2.244 -11.868
  394   2HB   GLN  55          2HB       GLN  55  48.991   2.393 -12.147
  395   1HG   GLN  55          1HG       GLN  55  48.597   3.159 -14.407
  396   2HG   GLN  55          2HG       GLN  55  46.861   2.924 -14.208
  397   1HE2  GLN  55          1HE2      GLN  55  48.906   4.176 -11.679
  398   2HE2  GLN  55          2HE2      GLN  55  48.276   5.791 -11.698
  399    H    HIS  56           H        HIS  56  47.863  -0.097 -15.460
  400    HA   HIS  56           HA       HIS  56  49.148  -0.024 -17.353
  401   1HB   HIS  56          1HB       HIS  56  50.448   1.897 -16.569
  402   2HB   HIS  56          2HB       HIS  56  51.432   0.845 -15.562
  403    HD1  HIS  56           HD1      HIS  56  51.159   2.230 -18.941
  404    HD2  HIS  56           HD2      HIS  56  53.239  -0.834 -17.041
  405    HE1  HIS  56           HE1      HIS  56  52.959   1.529 -20.555
  406    HE2  HIS  56           HE2      HIS  56  54.057  -0.461 -19.471
  407    H    GLY  57           H        GLY  57  48.610  -2.209 -17.298
  408   1HA   GLY  57          1HA       GLY  57  49.354  -4.291 -17.938
  409   2HA   GLY  57          2HA       GLY  57  50.986  -3.791 -17.542
  410    H    HIS  58           H        HIS  58  47.973  -5.043 -16.209
  411    HA   HIS  58           HA       HIS  58  48.871  -7.367 -15.294
  412   1HB   HIS  58          1HB       HIS  58  49.697  -5.326 -13.310
  413   2HB   HIS  58          2HB       HIS  58  48.943  -6.780 -12.666
  414    HD2  HIS  58           HD2      HIS  58  50.332  -9.154 -14.148
  415    HE1  HIS  58           HE1      HIS  58  54.030  -7.159 -13.580
  416    HE2  HIS  58           HE2      HIS  58  52.901  -9.383 -13.965
  417    H    GLY  59           H        GLY  59  47.284  -4.891 -13.290
  418   1HA   GLY  59          1HA       GLY  59  44.831  -5.031 -12.972
  419   2HA   GLY  59          2HA       GLY  59  45.028  -6.782 -13.018
  420    H    LEU  60           H        LEU  60  44.037  -6.857 -10.868
  421    HA   LEU  60           HA       LEU  60  45.157  -5.479  -8.668
  422   1HB   LEU  60          1HB       LEU  60  43.417  -7.916  -8.856
  423   2HB   LEU  60          2HB       LEU  60  44.048  -7.376  -7.312
  424    HG   LEU  60           HG       LEU  60  42.977  -5.101  -7.914
  425   1HD1  LEU  60          1HD1      LEU  60  40.995  -5.261  -9.332
  426   2HD1  LEU  60          2HD1      LEU  60  41.434  -6.917  -9.754
  427   3HD1  LEU  60          3HD1      LEU  60  42.475  -5.578 -10.237
  428   1HD2  LEU  60          1HD2      LEU  60  41.304  -7.508  -7.226
  429   2HD2  LEU  60          2HD2      LEU  60  40.832  -5.830  -6.969
  430   3HD2  LEU  60          3HD2      LEU  60  42.211  -6.499  -6.098
  431    H    ILE  61           H        ILE  61  46.835  -5.860  -7.401
  432    HA   ILE  61           HA       ILE  61  48.427  -8.288  -7.910
  433    HB   ILE  61           HB       ILE  61  49.307  -5.593  -6.841
  434   1HG1  ILE  61          1HG1      ILE  61  48.845  -5.556  -9.242
  435   2HG1  ILE  61          2HG1      ILE  61  50.575  -5.428  -8.948
  436   1HG2  ILE  61          1HG2      ILE  61  50.601  -7.389  -5.821
  437   2HG2  ILE  61          2HG2      ILE  61  51.592  -6.471  -6.953
  438   3HG2  ILE  61          3HG2      ILE  61  50.961  -8.052  -7.414
  439   1HD1  ILE  61          1HD1      ILE  61  50.089  -6.903 -10.823
  440   2HD1  ILE  61          2HD1      ILE  61  49.117  -7.931  -9.768
  441   3HD1  ILE  61          3HD1      ILE  61  50.853  -7.781  -9.497
  442    H    SER  62           H        SER  62  48.938  -9.619  -6.230
  443    HA   SER  62           HA       SER  62  47.512  -9.594  -3.848
  444   1HB   SER  62          1HB       SER  62  49.476 -11.145  -3.088
  445   2HB   SER  62          2HB       SER  62  48.414 -11.666  -4.396
  446    HG   SER  62           HG       SER  62  50.527 -11.973  -5.037
  447    H    LYS  63           H        LYS  63  47.707  -8.541  -2.005
  448    HA   LYS  63           HA       LYS  63  49.183  -6.189  -1.879
  449   1HB   LYS  63          1HB       LYS  63  47.066  -6.718  -0.666
  450   2HB   LYS  63          2HB       LYS  63  48.002  -7.701   0.449
  451   1HG   LYS  63          1HG       LYS  63  49.245  -5.747   1.165
  452   2HG   LYS  63          2HG       LYS  63  48.374  -4.751  -0.001
  453   1HD   LYS  63          1HD       LYS  63  47.023  -6.285   2.212
  454   2HD   LYS  63          2HD       LYS  63  47.555  -4.615   2.377
  455   1HE   LYS  63          1HE       LYS  63  45.261  -4.516   1.839
  456   2HE   LYS  63          2HE       LYS  63  46.121  -4.087   0.365
  457   1HZ   LYS  63          1HZ       LYS  63  45.193  -6.855   0.873
  458   2HZ   LYS  63          2HZ       LYS  63  45.612  -6.136  -0.608
  459   3HZ   LYS  63          3HZ       LYS  63  44.183  -5.690   0.175
  460    H    LYS  64           H        LYS  64  50.033  -9.381  -0.761
  461    HA   LYS  64           HA       LYS  64  52.213  -8.427   0.877
  462   1HB   LYS  64          1HB       LYS  64  52.707 -10.900   1.102
  463   2HB   LYS  64          2HB       LYS  64  51.140 -10.369   1.695
  464   1HG   LYS  64          1HG       LYS  64  50.145 -11.123  -0.460
  465   2HG   LYS  64          2HG       LYS  64  51.719 -11.799  -0.887
  466   1HD   LYS  64          1HD       LYS  64  51.648 -13.290   0.998
  467   2HD   LYS  64          2HD       LYS  64  50.169 -12.532   1.592
  468   1HE   LYS  64          1HE       LYS  64  48.999 -13.264  -0.438
  469   2HE   LYS  64          2HE       LYS  64  50.475 -14.051  -0.995
  470   1HZ   LYS  64          1HZ       LYS  64  48.913 -15.595   0.058
  471   2HZ   LYS  64          2HZ       LYS  64  49.034 -14.729   1.512
  472   3HZ   LYS  64          3HZ       LYS  64  50.394 -15.526   0.889
  473    H    ARG  65           H        ARG  65  51.780  -8.943  -2.396
  474    HA   ARG  65           HA       ARG  65  54.582  -9.639  -2.890
  475   1HB   ARG  65          1HB       ARG  65  52.964 -10.917  -4.151
  476   2HB   ARG  65          2HB       ARG  65  52.177  -9.453  -4.714
  477   1HG   ARG  65          1HG       ARG  65  54.149  -8.880  -6.021
  478   2HG   ARG  65          2HG       ARG  65  54.969 -10.327  -5.431
  479   1HD   ARG  65          1HD       ARG  65  52.379 -10.360  -6.973
  480   2HD   ARG  65          2HD       ARG  65  53.969 -10.553  -7.711
  481    HE   ARG  65           HE       ARG  65  54.069 -12.484  -5.915
  482   1HH1  ARG  65          1HH1      ARG  65  51.409 -11.587  -8.011
  483   2HH1  ARG  65          2HH1      ARG  65  50.799 -13.209  -8.147
  484   1HH2  ARG  65          1HH2      ARG  65  53.258 -14.603  -6.071
  485   2HH2  ARG  65          2HH2      ARG  65  51.853 -14.926  -7.035
  486    H    VAL  66           H        VAL  66  52.536  -6.975  -2.662
  487    HA   VAL  66           HA       VAL  66  53.417  -5.219  -4.630
  488    HB   VAL  66           HB       VAL  66  52.508  -4.585  -1.817
  489   1HG1  VAL  66          1HG1      VAL  66  53.657  -2.681  -2.795
  490   2HG1  VAL  66          2HG1      VAL  66  51.922  -2.375  -2.702
  491   3HG1  VAL  66          3HG1      VAL  66  52.660  -2.804  -4.245
  492   1HG2  VAL  66          1HG2      VAL  66  50.318  -4.205  -2.865
  493   2HG2  VAL  66          2HG2      VAL  66  50.865  -5.872  -3.046
  494   3HG2  VAL  66          3HG2      VAL  66  50.976  -4.756  -4.407
  495    H    GLU  67           H        GLU  67  55.114  -3.875  -4.862
  496    HA   GLU  67           HA       GLU  67  57.341  -4.143  -2.999
  497   1HB   GLU  67          1HB       GLU  67  57.821  -4.419  -5.382
  498   2HB   GLU  67          2HB       GLU  67  57.144  -2.833  -5.721
  499   1HG   GLU  67          1HG       GLU  67  58.921  -1.770  -4.475
  500   2HG   GLU  67          2HG       GLU  67  59.576  -3.344  -4.025
  501    H    PHE  68           H        PHE  68  57.450  -2.753  -1.375
  502    HA   PHE  68           HA       PHE  68  56.223  -0.110  -1.666
  503   1HB   PHE  68          1HB       PHE  68  57.114  -1.624   0.796
  504   2HB   PHE  68          2HB       PHE  68  56.442   0.002   0.818
  505    HD1  PHE  68           HD1      PHE  68  55.724  -3.527   0.637
  506    HD2  PHE  68           HD2      PHE  68  54.090   0.368   0.126
  507    HE1  PHE  68           HE1      PHE  68  53.452  -4.469   0.765
  508    HE2  PHE  68           HE2      PHE  68  51.817  -0.564   0.250
  509    HZ   PHE  68           HZ       PHE  68  51.495  -2.985   0.569
  510    H    VAL  69           H        VAL  69  57.543   1.453  -2.276
  511    HA   VAL  69           HA       VAL  69  60.306   1.434  -1.244
  512    HB   VAL  69           HB       VAL  69  60.956   2.820  -3.144
  513   1HG1  VAL  69          1HG1      VAL  69  59.467   0.341  -3.996
  514   2HG1  VAL  69          2HG1      VAL  69  61.121   0.407  -3.388
  515   3HG1  VAL  69          3HG1      VAL  69  60.717   1.161  -4.931
  516   1HG2  VAL  69          1HG2      VAL  69  59.406   3.239  -5.000
  517   2HG2  VAL  69          2HG2      VAL  69  58.865   4.009  -3.509
  518   3HG2  VAL  69          3HG2      VAL  69  58.097   2.521  -4.062
  519    H    LEU  70           H        LEU  70  61.200   3.476  -0.594
  520    HA   LEU  70           HA       LEU  70  59.286   5.116   0.769
  521   1HB   LEU  70          1HB       LEU  70  61.169   6.327   1.662
  522   2HB   LEU  70          2HB       LEU  70  61.483   4.607   1.762
  523    HG   LEU  70           HG       LEU  70  62.605   6.312  -0.459
  524   1HD1  LEU  70          1HD1      LEU  70  64.678   6.416   0.842
  525   2HD1  LEU  70          2HD1      LEU  70  63.855   5.661   2.206
  526   3HD1  LEU  70          3HD1      LEU  70  63.355   7.257   1.648
  527   1HD2  LEU  70          1HD2      LEU  70  62.608   3.893  -0.836
  528   2HD2  LEU  70          2HD2      LEU  70  63.447   3.652   0.697
  529   3HD2  LEU  70          3HD2      LEU  70  64.247   4.508  -0.621
  530    H    ALA  71           H        ALA  71  58.757   7.253   0.377
  531    HA   ALA  71           HA       ALA  71  59.037   8.104  -2.377
  532   1HB   ALA  71          1HB       ALA  71  56.879   8.325  -1.250
  533   2HB   ALA  71          2HB       ALA  71  57.498   9.897  -1.758
  534   3HB   ALA  71          3HB       ALA  71  57.606   9.412  -0.066
  Start of MODEL    7
    1    H    MET   1           H        MET   1  63.192  -8.859  12.306
    2    HA   MET   1           HA       MET   1  60.997  -8.208  11.561
    3   1HB   MET   1          1HB       MET   1  61.238  -9.224  13.788
    4   2HB   MET   1          2HB       MET   1  61.506  -7.634  14.490
    5   1HG   MET   1          1HG       MET   1  59.228  -6.989  13.692
    6   2HG   MET   1          2HG       MET   1  58.982  -8.671  13.227
    7   1HE   MET   1          1HE       MET   1  60.927  -7.273  16.365
    8   2HE   MET   1          2HE       MET   1  59.642  -7.257  17.575
    9   3HE   MET   1          3HE       MET   1  59.563  -6.168  16.187
   10    H    GLU   2           H        GLU   2  62.492  -5.737  13.617
   11    HA   GLU   2           HA       GLU   2  60.631  -3.729  12.629
   12   1HB   GLU   2          1HB       GLU   2  62.429  -2.420  14.268
   13   2HB   GLU   2          2HB       GLU   2  60.860  -3.040  14.754
   14   1HG   GLU   2          1HG       GLU   2  62.581  -3.711  16.321
   15   2HG   GLU   2          2HG       GLU   2  61.902  -5.117  15.507
   16    H    LEU   3           H        LEU   3  61.105  -2.787  10.769
   17    HA   LEU   3           HA       LEU   3  63.743  -2.795   9.683
   18   1HB   LEU   3          1HB       LEU   3  61.220  -1.383   8.809
   19   2HB   LEU   3          2HB       LEU   3  62.732  -1.287   7.929
   20    HG   LEU   3           HG       LEU   3  62.601  -3.844   7.766
   21   1HD1  LEU   3          1HD1      LEU   3  59.730  -3.276   8.477
   22   2HD1  LEU   3          2HD1      LEU   3  60.876  -4.193   9.455
   23   3HD1  LEU   3          3HD1      LEU   3  60.369  -4.808   7.881
   24   1HD2  LEU   3          1HD2      LEU   3  61.149  -3.720   5.805
   25   2HD2  LEU   3          2HD2      LEU   3  62.253  -2.346   5.880
   26   3HD2  LEU   3          3HD2      LEU   3  60.563  -2.144   6.340
   27    H    HIS   4           H        HIS   4  65.304  -1.390  10.011
   28    HA   HIS   4           HA       HIS   4  64.797   0.951  11.649
   29   1HB   HIS   4          1HB       HIS   4  67.432   0.064  10.443
   30   2HB   HIS   4          2HB       HIS   4  67.191   1.127  11.828
   31    HD1  HIS   4           HD1      HIS   4  68.381  -2.065  11.275
   32    HD2  HIS   4           HD2      HIS   4  65.409  -0.607  13.796
   33    HE1  HIS   4           HE1      HIS   4  68.084  -3.813  13.057
   34    HE2  HIS   4           HE2      HIS   4  66.073  -3.044  14.369
   35    H    CYS   5           H        CYS   5  65.494   3.134  10.949
   36    HA   CYS   5           HA       CYS   5  64.527   3.526   8.262
   37   1HB   CYS   5          1HB       CYS   5  65.007   6.038   8.991
   38   2HB   CYS   5          2HB       CYS   5  63.581   5.165   9.530
   39    HA   PRO   6           HA       PRO   6  68.778   3.372   6.907
   40   1HB   PRO   6          1HB       PRO   6  68.292   2.880   4.313
   41   2HB   PRO   6          2HB       PRO   6  68.046   1.650   5.556
   42   1HG   PRO   6          1HG       PRO   6  66.040   3.378   4.177
   43   2HG   PRO   6          2HG       PRO   6  65.927   1.666   4.625
   44   1HD   PRO   6          1HD       PRO   6  64.809   3.737   6.064
   45   2HD   PRO   6          2HD       PRO   6  65.226   2.154   6.741
   46    H    GLN   7           H        GLN   7  68.673   5.711   7.484
   47    HA   GLN   7           HA       GLN   7  69.710   7.289   5.399
   48   1HB   GLN   7          1HB       GLN   7  67.301   7.423   4.767
   49   2HB   GLN   7          2HB       GLN   7  66.943   8.095   6.348
   50   1HG   GLN   7          1HG       GLN   7  68.973   9.500   4.714
   51   2HG   GLN   7          2HG       GLN   7  67.297   9.594   4.181
   52   1HE2  GLN   7          1HE2      GLN   7  65.795  10.670   5.450
   53   2HE2  GLN   7          2HE2      GLN   7  66.261  11.722   6.747
   54    H    CYS   8           H        CYS   8  67.960   7.336   8.456
   55    HA   CYS   8           HA       CYS   8  70.056   9.069   9.586
   56   1HB   CYS   8          1HB       CYS   8  68.231   9.661  11.285
   57   2HB   CYS   8          2HB       CYS   8  68.034  10.301   9.655
   58    H    GLN   9           H        GLN   9  68.239   6.154   9.832
   59    HA   GLN   9           HA       GLN   9  68.545   4.229  10.933
   60   1HB   GLN   9          1HB       GLN   9  71.030   5.538  12.014
   61   2HB   GLN   9          2HB       GLN   9  70.586   3.859  12.287
   62   1HG   GLN   9          1HG       GLN   9  71.030   5.089   9.578
   63   2HG   GLN   9          2HG       GLN   9  72.238   4.171  10.474
   64   1HE2  GLN   9          1HE2      GLN   9  72.381   2.662   8.822
   65   2HE2  GLN   9          2HE2      GLN   9  71.152   1.473   8.555
   66    H    HIS  10           H        HIS  10  67.293   3.568  12.402
   67    HA   HIS  10           HA       HIS  10  67.561   3.797  15.110
   68   1HB   HIS  10          1HB       HIS  10  66.014   6.052  14.024
   69   2HB   HIS  10          2HB       HIS  10  65.168   5.152  15.280
   70    HD1  HIS  10           HD1      HIS  10  66.330   8.121  15.580
   71    HD2  HIS  10           HD2      HIS  10  68.090   4.629  17.001
   72    HE1  HIS  10           HE1      HIS  10  67.829   8.832  17.459
   73    HE2  HIS  10           HE2      HIS  10  68.735   6.692  18.423
   74    H    VAL  11           H        VAL  11  64.366   4.227  13.646
   75    HA   VAL  11           HA       VAL  11  63.898   1.494  13.106
   76    HB   VAL  11           HB       VAL  11  63.994   1.307  15.560
   77   1HG1  VAL  11          1HG1      VAL  11  63.234   3.549  16.146
   78   2HG1  VAL  11          2HG1      VAL  11  62.284   2.311  16.966
   79   3HG1  VAL  11          3HG1      VAL  11  61.615   3.156  15.570
   80   1HG2  VAL  11          1HG2      VAL  11  61.243   0.887  14.403
   81   2HG2  VAL  11          2HG2      VAL  11  61.854   0.143  15.881
   82   3HG2  VAL  11          3HG2      VAL  11  62.596  -0.241  14.326
   83    H    LEU  12           H        LEU  12  62.049   1.188  11.990
   84    HA   LEU  12           HA       LEU  12  60.137   3.426  11.795
   85   1HB   LEU  12          1HB       LEU  12  60.927   1.366   9.727
   86   2HB   LEU  12          2HB       LEU  12  59.614   2.508   9.529
   87    HG   LEU  12           HG       LEU  12  62.487   3.346   9.917
   88   1HD1  LEU  12          1HD1      LEU  12  62.236   2.013   7.867
   89   2HD1  LEU  12          2HD1      LEU  12  62.548   3.712   7.514
   90   3HD1  LEU  12          3HD1      LEU  12  60.915   3.065   7.356
   91   1HD2  LEU  12          1HD2      LEU  12  60.787   5.012  10.500
   92   2HD2  LEU  12          2HD2      LEU  12  60.051   4.811   8.910
   93   3HD2  LEU  12          3HD2      LEU  12  61.680   5.476   9.052
   94    H    ASP  13           H        ASP  13  58.639   2.709  13.318
   95    HA   ASP  13           HA       ASP  13  57.650  -0.023  13.114
   96   1HB   ASP  13          1HB       ASP  13  58.007   1.138  15.348
   97   2HB   ASP  13          2HB       ASP  13  56.621   2.147  14.951
   98    H    GLN  14           H        GLN  14  56.269  -0.404  11.539
   99    HA   GLN  14           HA       GLN  14  54.999   1.826  10.214
  100   1HB   GLN  14          1HB       GLN  14  55.088  -1.107   9.501
  101   2HB   GLN  14          2HB       GLN  14  54.464   0.173   8.469
  102   1HG   GLN  14          1HG       GLN  14  56.678   1.194   8.391
  103   2HG   GLN  14          2HG       GLN  14  57.305  -0.086   9.428
  104   1HE2  GLN  14          1HE2      GLN  14  58.786  -0.692   7.838
  105   2HE2  GLN  14          2HE2      GLN  14  58.303  -1.568   6.421
  106    H    ASP  15           H        ASP  15  52.861   2.206   9.983
  107    HA   ASP  15           HA       ASP  15  50.907   1.092  11.666
  108   1HB   ASP  15          1HB       ASP  15  50.571   2.443   8.972
  109   2HB   ASP  15          2HB       ASP  15  49.263   2.117  10.101
  110    H    ASN  16           H        ASN  16  51.417   0.649   8.196
  111    HA   ASN  16           HA       ASN  16  51.170  -2.153   8.183
  112   1HB   ASN  16          1HB       ASN  16  48.789  -1.693   8.656
  113   2HB   ASN  16          2HB       ASN  16  48.707  -0.657   7.235
  114   1HD2  ASN  16          1HD2      ASN  16  47.085  -1.914   6.320
  115   2HD2  ASN  16          2HD2      ASN  16  47.406  -3.466   5.629
  116    H    GLY  17           H        GLY  17  50.241   0.673   6.225
  117   1HA   GLY  17          1HA       GLY  17  51.846  -0.413   4.011
  118   2HA   GLY  17          2HA       GLY  17  50.586   0.803   3.853
  119    H    HIS  18           H        HIS  18  51.069   2.853   5.230
  120    HA   HIS  18           HA       HIS  18  53.697   3.769   4.447
  121   1HB   HIS  18          1HB       HIS  18  52.973   5.972   5.018
  122   2HB   HIS  18          2HB       HIS  18  51.624   5.184   4.217
  123    HD1  HIS  18           HD1      HIS  18  51.610   7.656   6.286
  124    HD2  HIS  18           HD2      HIS  18  50.426   3.729   7.019
  125    HE1  HIS  18           HE1      HIS  18  50.004   7.775   8.224
  126    HE2  HIS  18           HE2      HIS  18  49.373   5.384   8.713
  127    H    ALA  19           H        ALA  19  55.127   4.916   5.990
  128    HA   ALA  19           HA       ALA  19  55.019   3.686   8.656
  129   1HB   ALA  19          1HB       ALA  19  56.548   2.406   7.232
  130   2HB   ALA  19          2HB       ALA  19  57.403   3.221   8.543
  131   3HB   ALA  19          3HB       ALA  19  57.467   3.877   6.907
  132    H    ARG  20           H        ARG  20  56.649   4.688  10.145
  133    HA   ARG  20           HA       ARG  20  57.470   7.397   9.530
  134   1HB   ARG  20          1HB       ARG  20  55.186   7.697  10.426
  135   2HB   ARG  20          2HB       ARG  20  55.630   6.781  11.860
  136   1HG   ARG  20          1HG       ARG  20  57.270   8.500  12.445
  137   2HG   ARG  20          2HG       ARG  20  56.815   9.418  11.011
  138   1HD   ARG  20          1HD       ARG  20  54.517   9.590  11.887
  139   2HD   ARG  20          2HD       ARG  20  55.031   8.737  13.341
  140    HE   ARG  20           HE       ARG  20  56.739  10.824  13.239
  141   1HH1  ARG  20          1HH1      ARG  20  53.251  10.621  13.018
  142   2HH1  ARG  20          2HH1      ARG  20  52.990  12.200  13.711
  143   1HH2  ARG  20          1HH2      ARG  20  56.397  12.884  14.190
  144   2HH2  ARG  20          2HH2      ARG  20  54.776  13.471  14.387
  145    H    CYS  21           H        CYS  21  59.261   8.005  10.746
  146    HA   CYS  21           HA       CYS  21  60.767   6.000  12.037
  147   1HB   CYS  21          1HB       CYS  21  60.959   9.009  12.010
  148   2HB   CYS  21          2HB       CYS  21  62.073   8.021  12.941
  149    H    ARG  22           H        ARG  22  60.184   5.049  13.875
  150    HA   ARG  22           HA       ARG  22  58.125   6.020  15.521
  151   1HB   ARG  22          1HB       ARG  22  59.042   3.604  15.138
  152   2HB   ARG  22          2HB       ARG  22  60.106   3.988  16.483
  153   1HG   ARG  22          1HG       ARG  22  58.053   2.775  17.149
  154   2HG   ARG  22          2HG       ARG  22  58.233   4.344  17.941
  155   1HD   ARG  22          1HD       ARG  22  56.459   5.244  16.863
  156   2HD   ARG  22          2HD       ARG  22  56.750   4.324  15.390
  157    HE   ARG  22           HE       ARG  22  55.893   2.489  17.255
  158   1HH1  ARG  22          1HH1      ARG  22  54.634   5.421  15.830
  159   2HH1  ARG  22          2HH1      ARG  22  52.977   4.902  15.903
  160   1HH2  ARG  22          1HH2      ARG  22  53.708   1.774  17.295
  161   2HH2  ARG  22          2HH2      ARG  22  52.453   2.814  16.689
  162    H    SER  23           H        SER  23  61.601   5.668  16.240
  163    HA   SER  23           HA       SER  23  61.380   7.169  18.669
  164   1HB   SER  23          1HB       SER  23  63.901   6.439  17.168
  165   2HB   SER  23          2HB       SER  23  63.752   6.832  18.881
  166    HG   SER  23           HG       SER  23  62.136   4.909  18.703
  167    H    CYS  24           H        CYS  24  62.524   7.819  15.393
  168    HA   CYS  24           HA       CYS  24  63.720  10.316  15.981
  169   1HB   CYS  24          1HB       CYS  24  62.610   9.664  13.274
  170   2HB   CYS  24          2HB       CYS  24  64.059  10.565  13.685
  171    H    GLY  25           H        GLY  25  60.591   9.457  14.500
  172   1HA   GLY  25          1HA       GLY  25  58.605  10.744  14.901
  173   2HA   GLY  25          2HA       GLY  25  59.621  12.158  15.153
  174    H    GLU  26           H        GLU  26  61.146  10.937  12.717
  175    HA   GLU  26           HA       GLU  26  60.209  12.772  10.794
  176   1HB   GLU  26          1HB       GLU  26  61.838  10.311  10.201
  177   2HB   GLU  26          2HB       GLU  26  61.865  11.854   9.360
  178   1HG   GLU  26          1HG       GLU  26  63.100  12.884  11.030
  179   2HG   GLU  26          2HG       GLU  26  62.676  11.661  12.230
  180    H    PHE  27           H        PHE  27  59.191  12.402   8.774
  181    HA   PHE  27           HA       PHE  27  57.414  10.078   8.752
  182   1HB   PHE  27          1HB       PHE  27  57.395  12.662   7.187
  183   2HB   PHE  27          2HB       PHE  27  56.280  11.336   6.878
  184    HD1  PHE  27           HD1      PHE  27  57.241  13.970   9.248
  185    HD2  PHE  27           HD2      PHE  27  54.468  10.868   8.356
  186    HE1  PHE  27           HE1      PHE  27  55.710  14.854  10.961
  187    HE2  PHE  27           HE2      PHE  27  52.934  11.741  10.068
  188    HZ   PHE  27           HZ       PHE  27  53.552  13.737  11.370
  189    H    ILE  28           H        ILE  28  58.205   8.342   7.743
  190    HA   ILE  28           HA       ILE  28  59.340   8.753   5.063
  191    HB   ILE  28           HB       ILE  28  60.234   6.631   7.031
  192   1HG1  ILE  28          1HG1      ILE  28  61.698   9.024   5.889
  193   2HG1  ILE  28          2HG1      ILE  28  61.188   8.820   7.562
  194   1HG2  ILE  28          1HG2      ILE  28  61.870   6.032   5.272
  195   2HG2  ILE  28          2HG2      ILE  28  61.066   7.160   4.179
  196   3HG2  ILE  28          3HG2      ILE  28  60.200   5.748   4.785
  197   1HD1  ILE  28          1HD1      ILE  28  62.728   6.966   7.828
  198   2HD1  ILE  28          2HD1      ILE  28  63.580   8.403   7.262
  199   3HD1  ILE  28          3HD1      ILE  28  63.206   7.098   6.135
  200    H    GLU  29           H        GLU  29  57.442   8.327   4.014
  201    HA   GLU  29           HA       GLU  29  56.011   5.874   4.672
  202   1HB   GLU  29          1HB       GLU  29  55.272   7.995   2.647
  203   2HB   GLU  29          2HB       GLU  29  54.243   6.696   3.235
  204   1HG   GLU  29          1HG       GLU  29  54.550   7.728   5.547
  205   2HG   GLU  29          2HG       GLU  29  55.192   9.134   4.701
  206    H    MET  30           H        MET  30  55.168   4.662   2.630
  207    HA   MET  30           HA       MET  30  57.473   4.328   0.844
  208   1HB   MET  30          1HB       MET  30  55.798   2.197   2.166
  209   2HB   MET  30          2HB       MET  30  56.870   1.871   0.811
  210   1HG   MET  30          1HG       MET  30  58.772   2.652   2.128
  211   2HG   MET  30          2HG       MET  30  57.697   2.974   3.486
  212   1HE   MET  30          1HE       MET  30  60.339   1.207   3.641
  213   2HE   MET  30          2HE       MET  30  59.797  -0.152   4.624
  214   3HE   MET  30          3HE       MET  30  59.304   1.491   5.042
  215    H    LYS  31           H        LYS  31  57.106   4.082  -1.251
  216    HA   LYS  31           HA       LYS  31  54.484   4.573  -2.316
  217   1HB   LYS  31          1HB       LYS  31  57.093   3.860  -3.677
  218   2HB   LYS  31          2HB       LYS  31  55.623   4.327  -4.515
  219   1HG   LYS  31          1HG       LYS  31  55.734   6.537  -3.583
  220   2HG   LYS  31          2HG       LYS  31  57.108   6.083  -2.573
  221   1HD   LYS  31          1HD       LYS  31  58.470   5.702  -4.544
  222   2HD   LYS  31          2HD       LYS  31  57.093   6.044  -5.592
  223   1HE   LYS  31          1HE       LYS  31  58.291   8.018  -3.652
  224   2HE   LYS  31          2HE       LYS  31  58.709   7.932  -5.362
  225   1HZ   LYS  31          1HZ       LYS  31  56.342   8.335  -5.870
  226   2HZ   LYS  31          2HZ       LYS  31  57.069   9.620  -5.035
  227   3HZ   LYS  31          3HZ       LYS  31  56.040   8.552  -4.215
  228    H    ALA  32           H        ALA  32  53.052   3.090  -2.977
  229    HA   ALA  32           HA       ALA  32  53.768   0.277  -2.797
  230   1HB   ALA  32          1HB       ALA  32  51.658   1.015  -1.802
  231   2HB   ALA  32          2HB       ALA  32  51.374  -0.145  -3.101
  232   3HB   ALA  32          3HB       ALA  32  51.103   1.575  -3.380
  233    H    LEU  33           H        LEU  33  55.122   0.008  -4.563
  234    HA   LEU  33           HA       LEU  33  53.989   0.645  -7.198
  235   1HB   LEU  33          1HB       LEU  33  56.853   0.031  -6.460
  236   2HB   LEU  33          2HB       LEU  33  56.278   0.510  -8.045
  237    HG   LEU  33           HG       LEU  33  56.312   2.216  -5.556
  238   1HD1  LEU  33          1HD1      LEU  33  58.497   1.893  -6.589
  239   2HD1  LEU  33          2HD1      LEU  33  57.928   3.549  -6.807
  240   3HD1  LEU  33          3HD1      LEU  33  57.843   2.405  -8.147
  241   1HD2  LEU  33          1HD2      LEU  33  55.351   2.885  -8.336
  242   2HD2  LEU  33          2HD2      LEU  33  55.505   4.019  -6.995
  243   3HD2  LEU  33          3HD2      LEU  33  54.335   2.701  -6.907
  244    H    CYS  34           H        CYS  34  53.890  -0.885  -8.813
  245    HA   CYS  34           HA       CYS  34  53.949  -3.659  -8.060
  246   1HB   CYS  34          1HB       CYS  34  52.358  -2.811  -9.747
  247   2HB   CYS  34          2HB       CYS  34  53.701  -2.363 -10.791
  248    HA   PRO  35           HA       PRO  35  58.316  -3.970  -8.274
  249   1HB   PRO  35          1HB       PRO  35  58.490  -6.703  -8.649
  250   2HB   PRO  35          2HB       PRO  35  58.248  -5.908  -7.090
  251   1HG   PRO  35          1HG       PRO  35  56.236  -7.158  -8.916
  252   2HG   PRO  35          2HG       PRO  35  56.346  -7.238  -7.147
  253   1HD   PRO  35          1HD       PRO  35  54.589  -5.622  -8.364
  254   2HD   PRO  35          2HD       PRO  35  55.422  -5.120  -6.875
  255    H    ASP  36           H        ASP  36  56.354  -5.332 -10.844
  256    HA   ASP  36           HA       ASP  36  58.594  -6.000 -12.512
  257   1HB   ASP  36          1HB       ASP  36  57.087  -7.009 -13.912
  258   2HB   ASP  36          2HB       ASP  36  56.133  -6.994 -12.435
  259    H    CYS  37           H        CYS  37  56.398  -3.271 -12.244
  260    HA   CYS  37           HA       CYS  37  57.610  -2.115 -14.667
  261   1HB   CYS  37          1HB       CYS  37  55.334  -0.920 -14.869
  262   2HB   CYS  37          2HB       CYS  37  55.425  -2.620 -15.314
  263    H    HIS  38           H        HIS  38  56.766  -1.660 -11.381
  264    HA   HIS  38           HA       HIS  38  57.176  -0.053  -9.871
  265   1HB   HIS  38          1HB       HIS  38  58.994   0.886 -12.065
  266   2HB   HIS  38          2HB       HIS  38  58.799   1.827 -10.589
  267    HD1  HIS  38           HD1      HIS  38  60.477  -1.165 -11.949
  268    HD2  HIS  38           HD2      HIS  38  59.651   0.467  -8.212
  269    HE1  HIS  38           HE1      HIS  38  61.949  -2.401 -10.327
  270    HE2  HIS  38           HE2      HIS  38  61.214  -1.588  -8.051
  271    H    GLN  39           H        GLN  39  55.109   0.242 -12.161
  272    HA   GLN  39           HA       GLN  39  54.388   3.007 -11.869
  273   1HB   GLN  39          1HB       GLN  39  53.088   0.584 -13.046
  274   2HB   GLN  39          2HB       GLN  39  52.072   1.953 -12.624
  275   1HG   GLN  39          1HG       GLN  39  52.685   2.035 -14.957
  276   2HG   GLN  39          2HG       GLN  39  53.395   3.392 -14.086
  277   1HE2  GLN  39          1HE2      GLN  39  55.596   3.501 -13.824
  278   2HE2  GLN  39          2HE2      GLN  39  56.698   2.493 -14.708
  279    HA   PRO  40           HA       PRO  40  52.659   2.741  -7.805
  280   1HB   PRO  40          1HB       PRO  40  50.710   4.760  -8.752
  281   2HB   PRO  40          2HB       PRO  40  51.851   4.845  -7.405
  282   1HG   PRO  40          1HG       PRO  40  52.271   6.230  -9.650
  283   2HG   PRO  40          2HG       PRO  40  53.616   5.481  -8.768
  284   1HD   PRO  40          1HD       PRO  40  52.233   4.553 -11.259
  285   2HD   PRO  40          2HD       PRO  40  53.964   4.528 -10.856
  286    H    LEU  41           H        LEU  41  51.261   1.333  -7.001
  287    HA   LEU  41           HA       LEU  41  49.211   0.169  -8.619
  288   1HB   LEU  41          1HB       LEU  41  49.859  -0.129  -5.686
  289   2HB   LEU  41          2HB       LEU  41  48.643  -1.073  -6.525
  290    HG   LEU  41           HG       LEU  41  51.587  -1.076  -7.192
  291   1HD1  LEU  41          1HD1      LEU  41  51.590  -3.316  -6.208
  292   2HD1  LEU  41          2HD1      LEU  41  49.911  -3.097  -5.717
  293   3HD1  LEU  41          3HD1      LEU  41  51.172  -2.080  -5.020
  294   1HD2  LEU  41          1HD2      LEU  41  49.277  -2.727  -8.208
  295   2HD2  LEU  41          2HD2      LEU  41  50.977  -3.060  -8.542
  296   3HD2  LEU  41          3HD2      LEU  41  50.238  -1.571  -9.130
  297    H    GLN  42           H        GLN  42  47.168   0.763  -8.817
  298    HA   GLN  42           HA       GLN  42  46.239   3.140  -7.542
  299   1HB   GLN  42          1HB       GLN  42  45.613   2.523  -9.847
  300   2HB   GLN  42          2HB       GLN  42  44.724   1.140  -9.228
  301   1HG   GLN  42          1HG       GLN  42  43.159   2.575  -8.110
  302   2HG   GLN  42          2HG       GLN  42  44.106   4.001  -8.534
  303   1HE2  GLN  42          1HE2      GLN  42  41.947   1.549  -9.694
  304   2HE2  GLN  42          2HE2      GLN  42  41.576   2.302 -11.204
  305    H    VAL  43           H        VAL  43  45.345   3.295  -5.632
  306    HA   VAL  43           HA       VAL  43  44.701   0.953  -4.102
  307    HB   VAL  43           HB       VAL  43  44.305   3.855  -3.350
  308   1HG1  VAL  43          1HG1      VAL  43  44.524   1.392  -1.623
  309   2HG1  VAL  43          2HG1      VAL  43  43.036   2.271  -1.973
  310   3HG1  VAL  43          3HG1      VAL  43  44.326   3.050  -1.054
  311   1HG2  VAL  43          1HG2      VAL  43  46.457   3.626  -2.156
  312   2HG2  VAL  43          2HG2      VAL  43  46.628   3.479  -3.904
  313   3HG2  VAL  43          3HG2      VAL  43  46.668   2.036  -2.890
  314    H    LEU  44           H        LEU  44  42.903  -0.056  -4.759
  315    HA   LEU  44           HA       LEU  44  40.504   1.376  -5.484
  316   1HB   LEU  44          1HB       LEU  44  40.841  -1.578  -4.961
  317   2HB   LEU  44          2HB       LEU  44  39.519  -0.808  -5.813
  318    HG   LEU  44           HG       LEU  44  42.376  -0.962  -6.783
  319   1HD1  LEU  44          1HD1      LEU  44  39.895  -2.398  -7.714
  320   2HD1  LEU  44          2HD1      LEU  44  41.234  -3.118  -6.819
  321   3HD1  LEU  44          3HD1      LEU  44  41.495  -2.501  -8.450
  322   1HD2  LEU  44          1HD2      LEU  44  41.301   1.059  -7.577
  323   2HD2  LEU  44          2HD2      LEU  44  39.895   0.131  -8.104
  324   3HD2  LEU  44          3HD2      LEU  44  41.454  -0.103  -8.894
  325    H    LYS  45           H        LYS  45  39.685   2.462  -3.732
  326    HA   LYS  45           HA       LYS  45  39.296   0.945  -1.265
  327   1HB   LYS  45          1HB       LYS  45  39.012   3.895  -1.834
  328   2HB   LYS  45          2HB       LYS  45  38.601   3.152  -0.295
  329   1HG   LYS  45          1HG       LYS  45  41.047   2.259  -0.388
  330   2HG   LYS  45          2HG       LYS  45  41.277   3.579  -1.537
  331   1HD   LYS  45          1HD       LYS  45  41.845   4.354   0.678
  332   2HD   LYS  45          2HD       LYS  45  40.358   5.148   0.152
  333   1HE   LYS  45          1HE       LYS  45  39.052   3.497   1.428
  334   2HE   LYS  45          2HE       LYS  45  40.552   2.764   1.990
  335   1HZ   LYS  45          1HZ       LYS  45  39.603   4.270   3.626
  336   2HZ   LYS  45          2HZ       LYS  45  39.697   5.558   2.528
  337   3HZ   LYS  45          3HZ       LYS  45  41.117   4.822   3.098
  338    H    ALA  46           H        ALA  46  37.554  -0.261  -1.351
  339    HA   ALA  46           HA       ALA  46  35.024   0.962  -2.227
  340   1HB   ALA  46          1HB       ALA  46  35.563  -1.112  -3.383
  341   2HB   ALA  46          2HB       ALA  46  34.161  -1.343  -2.338
  342   3HB   ALA  46          3HB       ALA  46  35.741  -1.948  -1.840
  343    H    CYS  47           H        CYS  47  33.142  -0.239  -0.848
  344    HA   CYS  47           HA       CYS  47  33.608   0.665   1.845
  345   1HB   CYS  47          1HB       CYS  47  31.458   1.056   0.614
  346   2HB   CYS  47          2HB       CYS  47  31.138  -0.670   0.723
  347    HG   CYS  47           HG       CYS  47  30.859   1.714   3.083
  348    H    GLY  48           H        GLY  48  35.239  -0.846   2.466
  349   1HA   GLY  48          1HA       GLY  48  35.266  -2.573   4.203
  350   2HA   GLY  48          2HA       GLY  48  34.096  -3.460   3.240
  351    H    ALA  49           H        ALA  49  35.944  -2.392   0.900
  352    HA   ALA  49           HA       ALA  49  37.945  -4.535   1.155
  353   1HB   ALA  49          1HB       ALA  49  37.617  -5.111  -1.182
  354   2HB   ALA  49          2HB       ALA  49  36.370  -3.872  -1.330
  355   3HB   ALA  49          3HB       ALA  49  36.105  -5.272  -0.288
  356    H    VAL  50           H        VAL  50  39.965  -4.076   0.478
  357    HA   VAL  50           HA       VAL  50  40.437  -1.630  -1.075
  358    HB   VAL  50           HB       VAL  50  42.027  -2.386   1.395
  359   1HG1  VAL  50          1HG1      VAL  50  43.221  -0.277   1.008
  360   2HG1  VAL  50          2HG1      VAL  50  42.312  -0.044  -0.487
  361   3HG1  VAL  50          3HG1      VAL  50  43.427  -1.402  -0.335
  362   1HG2  VAL  50          1HG2      VAL  50  39.876  -1.424   2.000
  363   2HG2  VAL  50          2HG2      VAL  50  40.163  -0.060   0.919
  364   3HG2  VAL  50          3HG2      VAL  50  41.179  -0.285   2.343
  365    H    ASP  51           H        ASP  51  41.564  -2.160  -2.830
  366    HA   ASP  51           HA       ASP  51  43.513  -4.355  -2.646
  367   1HB   ASP  51          1HB       ASP  51  41.390  -3.962  -4.745
  368   2HB   ASP  51          2HB       ASP  51  42.843  -4.903  -5.062
  369    H    TYR  52           H        TYR  52  45.187  -4.311  -4.251
  370    HA   TYR  52           HA       TYR  52  45.728  -1.586  -5.223
  371   1HB   TYR  52          1HB       TYR  52  47.631  -3.860  -4.609
  372   2HB   TYR  52          2HB       TYR  52  48.115  -2.304  -5.281
  373    HD1  TYR  52           HD1      TYR  52  47.664  -0.218  -3.903
  374    HD2  TYR  52           HD2      TYR  52  47.413  -4.144  -2.281
  375    HE1  TYR  52           HE1      TYR  52  47.867   0.713  -1.637
  376    HE2  TYR  52           HE2      TYR  52  47.610  -3.222  -0.009
  377    HH   TYR  52           HH       TYR  52  47.235   0.052   0.682
  378    H    PHE  53           H        PHE  53  45.346  -1.307  -7.312
  379    HA   PHE  53           HA       PHE  53  45.391  -3.649  -9.087
  380   1HB   PHE  53          1HB       PHE  53  43.268  -2.346  -8.855
  381   2HB   PHE  53          2HB       PHE  53  44.094  -0.953  -9.536
  382    HD1  PHE  53           HD1      PHE  53  44.377  -0.715 -11.860
  383    HD2  PHE  53           HD2      PHE  53  42.920  -4.377 -10.259
  384    HE1  PHE  53           HE1      PHE  53  43.772  -1.462 -14.123
  385    HE2  PHE  53           HE2      PHE  53  42.313  -5.129 -12.519
  386    HZ   PHE  53           HZ       PHE  53  42.738  -3.670 -14.456
  387    H    CYS  54           H        CYS  54  46.794  -3.791 -10.735
  388    HA   CYS  54           HA       CYS  54  48.596  -1.516 -11.193
  389   1HB   CYS  54          1HB       CYS  54  49.699  -3.610 -10.582
  390   2HB   CYS  54          2HB       CYS  54  48.891  -4.448 -11.901
  391    H    GLN  55           H        GLN  55  47.544  -0.239 -12.673
  392    HA   GLN  55           HA       GLN  55  46.207  -1.309 -14.944
  393   1HB   GLN  55          1HB       GLN  55  47.143   1.467 -14.255
  394   2HB   GLN  55          2HB       GLN  55  46.433   1.092 -15.822
  395   1HG   GLN  55          1HG       GLN  55  44.430   0.236 -14.647
  396   2HG   GLN  55          2HG       GLN  55  45.144   0.775 -13.132
  397   1HE2  GLN  55          1HE2      GLN  55  45.454   2.510 -16.151
  398   2HE2  GLN  55          2HE2      GLN  55  44.466   3.859 -15.700
  399    H    HIS  56           H        HIS  56  47.427  -2.636 -16.011
  400    HA   HIS  56           HA       HIS  56  49.080  -1.810 -18.086
  401   1HB   HIS  56          1HB       HIS  56  50.501  -2.108 -15.575
  402   2HB   HIS  56          2HB       HIS  56  51.068  -3.293 -16.745
  403    HD1  HIS  56           HD1      HIS  56  51.789  -2.168 -19.160
  404    HD2  HIS  56           HD2      HIS  56  51.697   0.313 -15.819
  405    HE1  HIS  56           HE1      HIS  56  53.146  -0.143 -19.778
  406    HE2  HIS  56           HE2      HIS  56  52.980   1.397 -17.792
  407    H    GLY  57           H        GLY  57  46.955  -3.671 -17.134
  408   1HA   GLY  57          1HA       GLY  57  46.189  -5.756 -17.693
  409   2HA   GLY  57          2HA       GLY  57  47.624  -5.945 -18.688
  410    H    HIS  58           H        HIS  58  47.738  -5.292 -15.227
  411    HA   HIS  58           HA       HIS  58  48.855  -7.999 -14.871
  412   1HB   HIS  58          1HB       HIS  58  49.533  -5.474 -13.338
  413   2HB   HIS  58          2HB       HIS  58  50.175  -7.075 -12.979
  414    HD2  HIS  58           HD2      HIS  58  50.584  -7.535 -16.414
  415    HE1  HIS  58           HE1      HIS  58  53.611  -4.658 -15.732
  416    HE2  HIS  58           HE2      HIS  58  52.604  -6.256 -17.387
  417    H    GLY  59           H        GLY  59  46.308  -5.970 -14.057
  418   1HA   GLY  59          1HA       GLY  59  44.427  -6.419 -12.825
  419   2HA   GLY  59          2HA       GLY  59  45.096  -8.012 -12.497
  420    H    LEU  60           H        LEU  60  44.677  -8.162 -10.366
  421    HA   LEU  60           HA       LEU  60  45.389  -5.960  -8.586
  422   1HB   LEU  60          1HB       LEU  60  43.965  -8.575  -8.068
  423   2HB   LEU  60          2HB       LEU  60  44.269  -7.347  -6.852
  424    HG   LEU  60           HG       LEU  60  42.585  -6.935  -9.323
  425   1HD1  LEU  60          1HD1      LEU  60  40.684  -6.970  -7.781
  426   2HD1  LEU  60          2HD1      LEU  60  41.768  -7.389  -6.455
  427   3HD1  LEU  60          3HD1      LEU  60  41.537  -8.514  -7.793
  428   1HD2  LEU  60          1HD2      LEU  60  42.977  -5.207  -6.882
  429   2HD2  LEU  60          2HD2      LEU  60  41.914  -4.862  -8.245
  430   3HD2  LEU  60          3HD2      LEU  60  43.662  -4.897  -8.478
  431    H    ILE  61           H        ILE  61  47.047  -5.987  -7.206
  432    HA   ILE  61           HA       ILE  61  48.808  -8.349  -7.255
  433    HB   ILE  61           HB       ILE  61  49.488  -5.492  -6.519
  434   1HG1  ILE  61          1HG1      ILE  61  48.968  -5.748  -8.919
  435   2HG1  ILE  61          2HG1      ILE  61  50.670  -5.388  -8.651
  436   1HG2  ILE  61          1HG2      ILE  61  50.896  -7.107  -5.372
  437   2HG2  ILE  61          2HG2      ILE  61  51.820  -6.256  -6.611
  438   3HG2  ILE  61          3HG2      ILE  61  51.260  -7.903  -6.902
  439   1HD1  ILE  61          1HD1      ILE  61  51.228  -7.725  -8.996
  440   2HD1  ILE  61          2HD1      ILE  61  50.361  -7.063 -10.380
  441   3HD1  ILE  61          3HD1      ILE  61  49.522  -8.106  -9.233
  442    H    SER  62           H        SER  62  48.756  -9.574  -5.478
  443    HA   SER  62           HA       SER  62  47.571  -8.872  -3.034
  444   1HB   SER  62          1HB       SER  62  49.705 -10.954  -3.565
  445   2HB   SER  62          2HB       SER  62  48.651 -10.894  -2.154
  446    HG   SER  62           HG       SER  62  46.872 -11.200  -3.554
  447    H    LYS  63           H        LYS  63  48.529  -8.363  -0.993
  448    HA   LYS  63           HA       LYS  63  50.472  -6.314  -1.310
  449   1HB   LYS  63          1HB       LYS  63  50.136  -5.821   1.009
  450   2HB   LYS  63          2HB       LYS  63  48.580  -6.172   0.275
  451   1HG   LYS  63          1HG       LYS  63  48.686  -8.447   1.228
  452   2HG   LYS  63          2HG       LYS  63  50.196  -8.005   2.032
  453   1HD   LYS  63          1HD       LYS  63  48.926  -6.097   3.095
  454   2HD   LYS  63          2HD       LYS  63  47.452  -6.842   2.477
  455   1HE   LYS  63          1HE       LYS  63  47.727  -7.551   4.736
  456   2HE   LYS  63          2HE       LYS  63  48.100  -8.927   3.698
  457   1HZ   LYS  63          1HZ       LYS  63  49.691  -8.649   5.530
  458   2HZ   LYS  63          2HZ       LYS  63  50.126  -7.126   4.923
  459   3HZ   LYS  63          3HZ       LYS  63  50.442  -8.521   4.012
  460    H    LYS  64           H        LYS  64  50.979  -9.572  -1.059
  461    HA   LYS  64           HA       LYS  64  53.448  -9.415   0.447
  462   1HB   LYS  64          1HB       LYS  64  52.505 -11.603  -1.417
  463   2HB   LYS  64          2HB       LYS  64  53.849 -11.706  -0.293
  464   1HG   LYS  64          1HG       LYS  64  52.168 -11.349   1.552
  465   2HG   LYS  64          2HG       LYS  64  50.917 -11.599   0.329
  466   1HD   LYS  64          1HD       LYS  64  52.156 -13.755  -0.246
  467   2HD   LYS  64          2HD       LYS  64  53.030 -13.522   1.268
  468   1HE   LYS  64          1HE       LYS  64  51.186 -15.006   1.662
  469   2HE   LYS  64          2HE       LYS  64  50.849 -13.466   2.451
  470   1HZ   LYS  64          1HZ       LYS  64  49.290 -12.896   0.831
  471   2HZ   LYS  64          2HZ       LYS  64  48.985 -14.539   1.132
  472   3HZ   LYS  64          3HZ       LYS  64  49.833 -14.075  -0.260
  473    H    ARG  65           H        ARG  65  52.363  -9.072  -2.815
  474    HA   ARG  65           HA       ARG  65  55.098  -9.298  -3.847
  475   1HB   ARG  65          1HB       ARG  65  52.447  -9.386  -5.301
  476   2HB   ARG  65          2HB       ARG  65  54.027  -9.577  -6.055
  477   1HG   ARG  65          1HG       ARG  65  54.372 -11.559  -4.525
  478   2HG   ARG  65          2HG       ARG  65  52.662 -11.419  -4.111
  479   1HD   ARG  65          1HD       ARG  65  53.781 -11.837  -6.883
  480   2HD   ARG  65          2HD       ARG  65  53.045 -13.079  -5.875
  481    HE   ARG  65           HE       ARG  65  50.945 -11.787  -6.049
  482   1HH1  ARG  65          1HH1      ARG  65  53.471 -11.330  -8.436
  483   2HH1  ARG  65          2HH1      ARG  65  52.377 -10.778  -9.674
  484   1HH2  ARG  65          1HH2      ARG  65  49.499 -11.067  -7.691
  485   2HH2  ARG  65          2HH2      ARG  65  50.136 -10.644  -9.252
  486    H    VAL  66           H        VAL  66  53.468  -6.962  -2.568
  487    HA   VAL  66           HA       VAL  66  53.757  -4.947  -4.639
  488    HB   VAL  66           HB       VAL  66  53.020  -4.623  -1.719
  489   1HG1  VAL  66          1HG1      VAL  66  53.958  -2.582  -2.651
  490   2HG1  VAL  66          2HG1      VAL  66  52.226  -2.399  -2.380
  491   3HG1  VAL  66          3HG1      VAL  66  52.839  -2.671  -4.011
  492   1HG2  VAL  66          1HG2      VAL  66  51.269  -4.699  -4.175
  493   2HG2  VAL  66          2HG2      VAL  66  50.726  -4.338  -2.536
  494   3HG2  VAL  66          3HG2      VAL  66  51.363  -5.936  -2.921
  495    H    GLU  67           H        GLU  67  55.524  -3.706  -4.905
  496    HA   GLU  67           HA       GLU  67  57.758  -4.169  -3.085
  497   1HB   GLU  67          1HB       GLU  67  58.025  -4.391  -5.580
  498   2HB   GLU  67          2HB       GLU  67  57.763  -2.657  -5.703
  499   1HG   GLU  67          1HG       GLU  67  59.751  -2.208  -4.435
  500   2HG   GLU  67          2HG       GLU  67  59.976  -3.926  -4.106
  501    H    PHE  68           H        PHE  68  57.710  -2.886  -1.368
  502    HA   PHE  68           HA       PHE  68  56.716  -0.165  -1.567
  503   1HB   PHE  68          1HB       PHE  68  57.682  -1.775   0.803
  504   2HB   PHE  68          2HB       PHE  68  57.059  -0.132   0.903
  505    HD1  PHE  68           HD1      PHE  68  56.240  -3.632   0.692
  506    HD2  PHE  68           HD2      PHE  68  54.675   0.309   0.326
  507    HE1  PHE  68           HE1      PHE  68  53.957  -4.522   0.915
  508    HE2  PHE  68           HE2      PHE  68  52.388  -0.576   0.557
  509    HZ   PHE  68           HZ       PHE  68  52.029  -2.995   0.852
  510    H    VAL  69           H        VAL  69  58.026   1.399  -2.155
  511    HA   VAL  69           HA       VAL  69  60.856   1.247  -1.311
  512    HB   VAL  69           HB       VAL  69  61.401   2.748  -3.178
  513   1HG1  VAL  69          1HG1      VAL  69  61.053   1.149  -5.006
  514   2HG1  VAL  69          2HG1      VAL  69  59.889   0.276  -4.010
  515   3HG1  VAL  69          3HG1      VAL  69  61.582   0.356  -3.523
  516   1HG2  VAL  69          1HG2      VAL  69  59.761   3.246  -4.909
  517   2HG2  VAL  69          2HG2      VAL  69  59.253   3.904  -3.354
  518   3HG2  VAL  69          3HG2      VAL  69  58.507   2.430  -3.973
  519    H    LEU  70           H        LEU  70  61.862   3.251  -0.638
  520    HA   LEU  70           HA       LEU  70  60.190   4.711   1.129
  521   1HB   LEU  70          1HB       LEU  70  63.053   5.105   0.274
  522   2HB   LEU  70          2HB       LEU  70  62.262   6.165   1.420
  523    HG   LEU  70           HG       LEU  70  61.836   4.116   2.852
  524   1HD1  LEU  70          1HD1      LEU  70  62.180   2.419   1.133
  525   2HD1  LEU  70          2HD1      LEU  70  63.273   2.188   2.499
  526   3HD1  LEU  70          3HD1      LEU  70  63.873   2.895   0.998
  527   1HD2  LEU  70          1HD2      LEU  70  64.093   4.120   3.775
  528   2HD2  LEU  70          2HD2      LEU  70  63.561   5.752   3.371
  529   3HD2  LEU  70          3HD2      LEU  70  64.693   4.907   2.315
  530    H    ALA  71           H        ALA  71  59.101   6.538   0.863
  531    HA   ALA  71           HA       ALA  71  59.009   7.699  -1.791
  532   1HB   ALA  71          1HB       ALA  71  56.921   7.174  -0.631
  533   2HB   ALA  71          2HB       ALA  71  57.046   8.901  -0.972
  534   3HB   ALA  71          3HB       ALA  71  57.352   8.299   0.658
  Start of MODEL    8
    1    H    MET   1           H        MET   1  59.314  -6.142  11.200
    2    HA   MET   1           HA       MET   1  61.426  -7.299  11.513
    3   1HB   MET   1          1HB       MET   1  62.906  -7.628   9.606
    4   2HB   MET   1          2HB       MET   1  61.422  -8.544   9.390
    5   1HG   MET   1          1HG       MET   1  60.583  -6.840   7.862
    6   2HG   MET   1          2HG       MET   1  62.057  -5.903   8.092
    7   1HE   MET   1          1HE       MET   1  61.968 -10.068   6.101
    8   2HE   MET   1          2HE       MET   1  60.533  -9.255   6.729
    9   3HE   MET   1          3HE       MET   1  61.781  -9.825   7.837
   10    H    GLU   2           H        GLU   2  63.384  -6.045  11.644
   11    HA   GLU   2           HA       GLU   2  62.715  -3.275  11.849
   12   1HB   GLU   2          1HB       GLU   2  64.983  -3.019  12.798
   13   2HB   GLU   2          2HB       GLU   2  64.049  -4.280  13.588
   14   1HG   GLU   2          1HG       GLU   2  65.335  -5.981  12.677
   15   2HG   GLU   2          2HG       GLU   2  65.954  -4.953  11.386
   16    H    LEU   3           H        LEU   3  62.764  -1.951  10.176
   17    HA   LEU   3           HA       LEU   3  65.007  -2.104   8.294
   18   1HB   LEU   3          1HB       LEU   3  62.587  -0.286   8.337
   19   2HB   LEU   3          2HB       LEU   3  63.826  -0.279   7.099
   20    HG   LEU   3           HG       LEU   3  61.927  -2.552   7.690
   21   1HD1  LEU   3          1HD1      LEU   3  60.842  -0.659   6.612
   22   2HD1  LEU   3          2HD1      LEU   3  60.993  -2.013   5.492
   23   3HD1  LEU   3          3HD1      LEU   3  62.089  -0.637   5.366
   24   1HD2  LEU   3          1HD2      LEU   3  64.109  -3.361   6.940
   25   2HD2  LEU   3          2HD2      LEU   3  64.033  -2.282   5.547
   26   3HD2  LEU   3          3HD2      LEU   3  62.876  -3.605   5.702
   27    H    HIS   4           H        HIS   4  66.148   0.070   7.895
   28    HA   HIS   4           HA       HIS   4  66.417   1.389  10.513
   29   1HB   HIS   4          1HB       HIS   4  68.516   0.573   8.532
   30   2HB   HIS   4          2HB       HIS   4  68.819   1.882   9.671
   31    HD1  HIS   4           HD1      HIS   4  70.594   0.574  10.991
   32    HD2  HIS   4           HD2      HIS   4  66.900  -1.326  10.830
   33    HE1  HIS   4           HE1      HIS   4  70.709  -1.286  12.684
   34    HE2  HIS   4           HE2      HIS   4  68.535  -2.545  12.417
   35    H    CYS   5           H        CYS   5  66.531   3.529  10.647
   36    HA   CYS   5           HA       CYS   5  65.533   5.055   8.383
   37   1HB   CYS   5          1HB       CYS   5  64.484   5.494  10.494
   38   2HB   CYS   5          2HB       CYS   5  66.028   5.654  11.309
   39    HA   PRO   6           HA       PRO   6  69.837   5.728   7.177
   40   1HB   PRO   6          1HB       PRO   6  68.514   7.810   5.503
   41   2HB   PRO   6          2HB       PRO   6  69.686   6.570   5.041
   42   1HG   PRO   6          1HG       PRO   6  67.120   6.281   4.425
   43   2HG   PRO   6          2HG       PRO   6  68.077   4.890   4.972
   44   1HD   PRO   6          1HD       PRO   6  66.049   6.504   6.461
   45   2HD   PRO   6          2HD       PRO   6  66.373   4.758   6.525
   46    H    GLN   7           H        GLN   7  67.680   8.005   8.519
   47    HA   GLN   7           HA       GLN   7  69.535  10.182   8.670
   48   1HB   GLN   7          1HB       GLN   7  67.317  10.848   8.429
   49   2HB   GLN   7          2HB       GLN   7  66.732   9.661   9.579
   50   1HG   GLN   7          1HG       GLN   7  68.459  11.887  10.538
   51   2HG   GLN   7          2HG       GLN   7  66.766  12.199  10.159
   52   1HE2  GLN   7          1HE2      GLN   7  68.130  12.325  12.696
   53   2HE2  GLN   7          2HE2      GLN   7  67.319  11.220  13.753
   54    H    CYS   8           H        CYS   8  68.377   7.692  10.917
   55    HA   CYS   8           HA       CYS   8  70.434   8.604  12.817
   56   1HB   CYS   8          1HB       CYS   8  68.865   8.077  14.695
   57   2HB   CYS   8          2HB       CYS   8  68.379   9.459  13.717
   58    H    GLN   9           H        GLN   9  69.412   6.219  10.931
   59    HA   GLN   9           HA       GLN   9  69.760   4.015  10.702
   60   1HB   GLN   9          1HB       GLN   9  71.991   4.549  12.650
   61   2HB   GLN   9          2HB       GLN   9  71.856   3.148  11.595
   62   1HG   GLN   9          1HG       GLN   9  71.944   4.628   9.638
   63   2HG   GLN   9          2HG       GLN   9  72.131   6.016  10.709
   64   1HE2  GLN   9          1HE2      GLN   9  73.897   5.016   8.623
   65   2HE2  GLN   9          2HE2      GLN   9  75.414   4.695   9.393
   66    H    HIS  10           H        HIS  10  67.995   4.904  12.940
   67    HA   HIS  10           HA       HIS  10  68.157   2.531  14.642
   68   1HB   HIS  10          1HB       HIS  10  66.749   5.160  14.932
   69   2HB   HIS  10          2HB       HIS  10  66.155   3.751  15.806
   70    HD1  HIS  10           HD1      HIS  10  68.928   6.230  15.759
   71    HD2  HIS  10           HD2      HIS  10  67.895   2.769  17.813
   72    HE1  HIS  10           HE1      HIS  10  70.426   6.171  17.771
   73    HE2  HIS  10           HE2      HIS  10  69.919   3.969  18.893
   74    H    VAL  11           H        VAL  11  65.859   1.699  15.253
   75    HA   VAL  11           HA       VAL  11  65.028   0.334  12.948
   76    HB   VAL  11           HB       VAL  11  64.962  -0.677  15.159
   77   1HG1  VAL  11          1HG1      VAL  11  62.685   1.214  15.732
   78   2HG1  VAL  11          2HG1      VAL  11  64.288   1.266  16.464
   79   3HG1  VAL  11          3HG1      VAL  11  63.222  -0.103  16.776
   80   1HG2  VAL  11          1HG2      VAL  11  62.230  -0.521  13.889
   81   2HG2  VAL  11          2HG2      VAL  11  62.780  -1.771  15.006
   82   3HG2  VAL  11          3HG2      VAL  11  63.536  -1.610  13.420
   83    H    LEU  12           H        LEU  12  63.539   0.670  11.498
   84    HA   LEU  12           HA       LEU  12  61.363   2.582  11.964
   85   1HB   LEU  12          1HB       LEU  12  62.216   1.062   9.493
   86   2HB   LEU  12          2HB       LEU  12  60.829   2.129   9.562
   87    HG   LEU  12           HG       LEU  12  63.681   3.015  10.010
   88   1HD1  LEU  12          1HD1      LEU  12  61.924   3.271   7.569
   89   2HD1  LEU  12          2HD1      LEU  12  63.351   2.244   7.718
   90   3HD1  LEU  12          3HD1      LEU  12  63.518   3.999   7.776
   91   1HD2  LEU  12          1HD2      LEU  12  61.983   4.397  11.115
   92   2HD2  LEU  12          2HD2      LEU  12  61.141   4.585   9.578
   93   3HD2  LEU  12          3HD2      LEU  12  62.759   5.255   9.785
   94    H    ASP  13           H        ASP  13  59.726   1.646  13.067
   95    HA   ASP  13           HA       ASP  13  59.214  -1.205  12.653
   96   1HB   ASP  13          1HB       ASP  13  59.518  -0.423  14.972
   97   2HB   ASP  13          2HB       ASP  13  58.132   0.648  14.784
   98    H    GLN  14           H        GLN  14  57.367  -1.990  11.851
   99    HA   GLN  14           HA       GLN  14  55.638  -0.056  10.523
  100   1HB   GLN  14          1HB       GLN  14  55.939  -3.043  10.150
  101   2HB   GLN  14          2HB       GLN  14  54.794  -2.049   9.266
  102   1HG   GLN  14          1HG       GLN  14  56.652  -2.394   7.847
  103   2HG   GLN  14          2HG       GLN  14  56.736  -0.724   8.407
  104   1HE2  GLN  14          1HE2      GLN  14  58.921  -0.558   8.038
  105   2HE2  GLN  14          2HE2      GLN  14  60.096  -1.348   9.030
  106    H    ASP  15           H        ASP  15  54.259   0.617  12.116
  107    HA   ASP  15           HA       ASP  15  52.709  -1.195  13.701
  108   1HB   ASP  15          1HB       ASP  15  53.015   1.067  14.492
  109   2HB   ASP  15          2HB       ASP  15  52.341   1.728  13.006
  110    H    ASN  16           H        ASN  16  52.492   0.261  10.599
  111    HA   ASN  16           HA       ASN  16  50.461  -1.544   9.713
  112   1HB   ASN  16          1HB       ASN  16  48.857   0.199   8.980
  113   2HB   ASN  16          2HB       ASN  16  49.010   0.157  10.732
  114   1HD2  ASN  16          1HD2      ASN  16  49.963   1.892  11.801
  115   2HD2  ASN  16          2HD2      ASN  16  50.244   3.413  11.011
  116    H    GLY  17           H        GLY  17  49.844   0.353   7.444
  117   1HA   GLY  17          1HA       GLY  17  52.131  -0.249   5.826
  118   2HA   GLY  17          2HA       GLY  17  50.719   0.667   5.327
  119    H    HIS  18           H        HIS  18  52.480   1.630   8.144
  120    HA   HIS  18           HA       HIS  18  53.887   3.728   6.655
  121   1HB   HIS  18          1HB       HIS  18  52.258   4.135   9.175
  122   2HB   HIS  18          2HB       HIS  18  53.353   5.328   8.493
  123    HD1  HIS  18           HD1      HIS  18  50.029   5.140   8.838
  124    HD2  HIS  18           HD2      HIS  18  52.366   5.346   5.414
  125    HE1  HIS  18           HE1      HIS  18  48.532   6.096   7.057
  126    HE2  HIS  18           HE2      HIS  18  50.077   6.494   5.105
  127    H    ALA  19           H        ALA  19  55.949   4.048   7.335
  128    HA   ALA  19           HA       ALA  19  56.821   2.543   9.698
  129   1HB   ALA  19          1HB       ALA  19  58.020   2.047   7.617
  130   2HB   ALA  19          2HB       ALA  19  59.087   2.774   8.820
  131   3HB   ALA  19          3HB       ALA  19  58.480   3.745   7.480
  132    H    ARG  20           H        ARG  20  56.548   3.790  11.438
  133    HA   ARG  20           HA       ARG  20  57.334   6.610  11.288
  134   1HB   ARG  20          1HB       ARG  20  55.071   6.141  12.140
  135   2HB   ARG  20          2HB       ARG  20  55.757   5.145  13.415
  136   1HG   ARG  20          1HG       ARG  20  56.730   7.022  14.483
  137   2HG   ARG  20          2HG       ARG  20  56.394   8.066  13.099
  138   1HD   ARG  20          1HD       ARG  20  54.294   6.735  14.808
  139   2HD   ARG  20          2HD       ARG  20  54.834   8.403  14.998
  140    HE   ARG  20           HE       ARG  20  54.087   8.520  12.498
  141   1HH1  ARG  20          1HH1      ARG  20  52.477   6.848  15.125
  142   2HH1  ARG  20          2HH1      ARG  20  50.896   6.994  14.406
  143   1HH2  ARG  20          1HH2      ARG  20  52.024   8.705  11.562
  144   2HH2  ARG  20          2HH2      ARG  20  50.640   8.036  12.375
  145    H    CYS  21           H        CYS  21  59.350   6.993  11.822
  146    HA   CYS  21           HA       CYS  21  60.961   5.073  13.175
  147   1HB   CYS  21          1HB       CYS  21  61.779   6.606  11.385
  148   2HB   CYS  21          2HB       CYS  21  61.615   7.950  12.509
  149    H    ARG  22           H        ARG  22  60.555   4.715  15.273
  150    HA   ARG  22           HA       ARG  22  59.811   6.755  17.118
  151   1HB   ARG  22          1HB       ARG  22  60.678   3.891  17.464
  152   2HB   ARG  22          2HB       ARG  22  60.324   4.931  18.836
  153   1HG   ARG  22          1HG       ARG  22  58.051   5.246  18.039
  154   2HG   ARG  22          2HG       ARG  22  58.400   4.256  16.621
  155   1HD   ARG  22          1HD       ARG  22  58.738   2.315  17.980
  156   2HD   ARG  22          2HD       ARG  22  58.645   3.271  19.458
  157    HE   ARG  22           HE       ARG  22  56.283   3.597  19.007
  158   1HH1  ARG  22          1HH1      ARG  22  57.909   1.115  17.158
  159   2HH1  ARG  22          2HH1      ARG  22  56.457   0.240  16.780
  160   1HH2  ARG  22          1HH2      ARG  22  54.366   2.462  18.555
  161   2HH2  ARG  22          2HH2      ARG  22  54.417   1.021  17.592
  162    H    SER  23           H        SER  23  61.375   8.319  16.925
  163    HA   SER  23           HA       SER  23  63.395   8.426  18.791
  164   1HB   SER  23          1HB       SER  23  65.418   8.438  17.213
  165   2HB   SER  23          2HB       SER  23  64.750   6.854  17.609
  166    HG   SER  23           HG       SER  23  63.956   6.656  15.622
  167    H    CYS  24           H        CYS  24  63.321   9.344  15.368
  168    HA   CYS  24           HA       CYS  24  63.523  12.154  16.113
  169   1HB   CYS  24          1HB       CYS  24  63.745  12.433  13.573
  170   2HB   CYS  24          2HB       CYS  24  65.057  11.614  14.412
  171    H    GLY  25           H        GLY  25  61.170   9.874  15.189
  172   1HA   GLY  25          1HA       GLY  25  58.878  10.167  14.974
  173   2HA   GLY  25          2HA       GLY  25  59.121  11.903  15.098
  174    H    GLU  26           H        GLU  26  61.132  10.401  12.858
  175    HA   GLU  26           HA       GLU  26  60.172  11.844  10.663
  176   1HB   GLU  26          1HB       GLU  26  62.481  10.923  10.907
  177   2HB   GLU  26          2HB       GLU  26  61.834   9.316  10.617
  178   1HG   GLU  26          1HG       GLU  26  62.832  10.187   8.608
  179   2HG   GLU  26          2HG       GLU  26  61.087  10.032   8.395
  180    H    PHE  27           H        PHE  27  58.661  11.451   9.197
  181    HA   PHE  27           HA       PHE  27  57.117   8.991   9.513
  182   1HB   PHE  27          1HB       PHE  27  55.330  10.211   8.256
  183   2HB   PHE  27          2HB       PHE  27  55.769  10.959   9.783
  184    HD1  PHE  27           HD1      PHE  27  57.341  12.971   9.712
  185    HD2  PHE  27           HD2      PHE  27  55.361  11.433   6.272
  186    HE1  PHE  27           HE1      PHE  27  57.675  15.118   8.563
  187    HE2  PHE  27           HE2      PHE  27  55.699  13.577   5.117
  188    HZ   PHE  27           HZ       PHE  27  56.856  15.421   6.263
  189    H    ILE  28           H        ILE  28  57.880   7.444   8.257
  190    HA   ILE  28           HA       ILE  28  58.460   8.114   5.449
  191    HB   ILE  28           HB       ILE  28  59.497   5.758   7.039
  192   1HG1  ILE  28          1HG1      ILE  28  60.902   8.278   6.117
  193   2HG1  ILE  28          2HG1      ILE  28  60.484   7.884   7.780
  194   1HG2  ILE  28          1HG2      ILE  28  60.160   6.707   4.252
  195   2HG2  ILE  28          2HG2      ILE  28  59.234   5.264   4.666
  196   3HG2  ILE  28          3HG2      ILE  28  60.941   5.371   5.097
  197   1HD1  ILE  28          1HD1      ILE  28  62.023   6.026   7.759
  198   2HD1  ILE  28          2HD1      ILE  28  62.851   7.507   7.278
  199   3HD1  ILE  28          3HD1      ILE  28  62.389   6.318   6.060
  200    H    GLU  29           H        GLU  29  56.656   7.701   4.334
  201    HA   GLU  29           HA       GLU  29  55.000   5.415   5.025
  202   1HB   GLU  29          1HB       GLU  29  54.657   7.512   2.873
  203   2HB   GLU  29          2HB       GLU  29  53.485   6.263   3.266
  204   1HG   GLU  29          1HG       GLU  29  53.373   7.217   5.572
  205   2HG   GLU  29          2HG       GLU  29  54.369   8.554   5.000
  206    H    MET  30           H        MET  30  54.185   4.115   3.056
  207    HA   MET  30           HA       MET  30  56.503   3.501   1.361
  208   1HB   MET  30          1HB       MET  30  54.524   1.682   2.686
  209   2HB   MET  30          2HB       MET  30  55.409   1.165   1.259
  210   1HG   MET  30          1HG       MET  30  57.520   1.610   2.425
  211   2HG   MET  30          2HG       MET  30  56.613   2.080   3.861
  212   1HE   MET  30          1HE       MET  30  58.277   0.269   5.089
  213   2HE   MET  30          2HE       MET  30  58.950  -0.196   3.527
  214   3HE   MET  30          3HE       MET  30  58.332  -1.432   4.623
  215    H    LYS  31           H        LYS  31  56.249   3.792  -0.697
  216    HA   LYS  31           HA       LYS  31  53.607   4.392  -1.754
  217   1HB   LYS  31          1HB       LYS  31  55.771   5.725  -2.196
  218   2HB   LYS  31          2HB       LYS  31  56.200   4.421  -3.289
  219   1HG   LYS  31          1HG       LYS  31  54.114   4.848  -4.549
  220   2HG   LYS  31          2HG       LYS  31  53.803   6.228  -3.492
  221   1HD   LYS  31          1HD       LYS  31  56.147   5.856  -5.357
  222   2HD   LYS  31          2HD       LYS  31  54.827   7.011  -5.529
  223   1HE   LYS  31          1HE       LYS  31  56.833   6.989  -3.276
  224   2HE   LYS  31          2HE       LYS  31  56.903   8.043  -4.686
  225   1HZ   LYS  31          1HZ       LYS  31  55.947   9.178  -2.793
  226   2HZ   LYS  31          2HZ       LYS  31  54.729   8.004  -2.655
  227   3HZ   LYS  31          3HZ       LYS  31  54.789   9.010  -4.018
  228    H    ALA  32           H        ALA  32  52.408   2.877  -2.702
  229    HA   ALA  32           HA       ALA  32  53.467   0.245  -3.130
  230   1HB   ALA  32          1HB       ALA  32  51.177  -0.373  -3.670
  231   2HB   ALA  32          2HB       ALA  32  50.715   1.329  -3.707
  232   3HB   ALA  32          3HB       ALA  32  51.233   0.590  -2.193
  233    H    LEU  33           H        LEU  33  54.710  -0.082  -4.858
  234    HA   LEU  33           HA       LEU  33  53.712   0.843  -7.473
  235   1HB   LEU  33          1HB       LEU  33  56.523   0.129  -6.632
  236   2HB   LEU  33          2HB       LEU  33  56.047   0.552  -8.265
  237    HG   LEU  33           HG       LEU  33  55.890   2.385  -5.869
  238   1HD1  LEU  33          1HD1      LEU  33  57.777   2.374  -8.219
  239   2HD1  LEU  33          2HD1      LEU  33  58.187   1.936  -6.561
  240   3HD1  LEU  33          3HD1      LEU  33  57.714   3.591  -6.944
  241   1HD2  LEU  33          1HD2      LEU  33  54.148   2.861  -7.499
  242   2HD2  LEU  33          2HD2      LEU  33  55.348   2.897  -8.792
  243   3HD2  LEU  33          3HD2      LEU  33  55.383   4.120  -7.521
  244    H    CYS  34           H        CYS  34  53.986  -0.630  -9.270
  245    HA   CYS  34           HA       CYS  34  53.439  -3.367  -8.497
  246   1HB   CYS  34          1HB       CYS  34  52.157  -2.176 -10.289
  247   2HB   CYS  34          2HB       CYS  34  53.618  -2.165 -11.269
  248    HA   PRO  35           HA       PRO  35  57.797  -4.228  -8.624
  249   1HB   PRO  35          1HB       PRO  35  56.966  -7.057  -8.480
  250   2HB   PRO  35          2HB       PRO  35  57.966  -6.116  -7.370
  251   1HG   PRO  35          1HG       PRO  35  55.470  -6.833  -6.727
  252   2HG   PRO  35          2HG       PRO  35  56.139  -5.265  -6.235
  253   1HD   PRO  35          1HD       PRO  35  54.256  -5.905  -8.476
  254   2HD   PRO  35          2HD       PRO  35  54.231  -4.540  -7.338
  255    H    ASP  36           H        ASP  36  55.520  -5.543 -10.890
  256    HA   ASP  36           HA       ASP  36  57.572  -6.933 -12.388
  257   1HB   ASP  36          1HB       ASP  36  55.692  -7.500 -13.959
  258   2HB   ASP  36          2HB       ASP  36  55.497  -8.078 -12.311
  259    H    CYS  37           H        CYS  37  55.706  -3.955 -12.737
  260    HA   CYS  37           HA       CYS  37  57.245  -3.407 -15.184
  261   1HB   CYS  37          1HB       CYS  37  55.280  -1.847 -15.751
  262   2HB   CYS  37          2HB       CYS  37  55.028  -3.580 -15.921
  263    H    HIS  38           H        HIS  38  56.837  -2.556 -12.034
  264    HA   HIS  38           HA       HIS  38  57.622  -0.926 -10.696
  265   1HB   HIS  38          1HB       HIS  38  59.620  -1.385 -12.370
  266   2HB   HIS  38          2HB       HIS  38  59.268   0.265 -12.881
  267    HD1  HIS  38           HD1      HIS  38  61.675   0.863 -11.873
  268    HD2  HIS  38           HD2      HIS  38  58.805  -0.354  -9.129
  269    HE1  HIS  38           HE1      HIS  38  62.582   1.499  -9.614
  270    HE2  HIS  38           HE2      HIS  38  60.950   0.477  -7.975
  271    H    GLN  39           H        GLN  39  55.326  -0.385 -12.595
  272    HA   GLN  39           HA       GLN  39  55.441   2.546 -12.512
  273   1HB   GLN  39          1HB       GLN  39  53.692   0.725 -14.185
  274   2HB   GLN  39          2HB       GLN  39  53.629   2.485 -14.202
  275   1HG   GLN  39          1HG       GLN  39  55.940   2.563 -14.993
  276   2HG   GLN  39          2HG       GLN  39  56.008   0.804 -14.970
  277   1HE2  GLN  39          1HE2      GLN  39  56.446   0.639 -17.134
  278   2HE2  GLN  39          2HE2      GLN  39  55.270   0.968 -18.361
  279    HA   PRO  40           HA       PRO  40  52.592   2.917  -9.280
  280   1HB   PRO  40          1HB       PRO  40  50.659   4.615 -10.302
  281   2HB   PRO  40          2HB       PRO  40  52.209   5.124  -9.627
  282   1HG   PRO  40          1HG       PRO  40  51.420   4.732 -12.483
  283   2HG   PRO  40          2HG       PRO  40  52.428   6.000 -11.760
  284   1HD   PRO  40          1HD       PRO  40  53.517   3.961 -13.099
  285   2HD   PRO  40          2HD       PRO  40  54.294   4.624 -11.646
  286    H    LEU  41           H        LEU  41  50.782   2.063  -8.402
  287    HA   LEU  41           HA       LEU  41  49.131   0.372 -10.105
  288   1HB   LEU  41          1HB       LEU  41  49.412   0.613  -7.114
  289   2HB   LEU  41          2HB       LEU  41  48.244  -0.438  -7.891
  290    HG   LEU  41           HG       LEU  41  51.236  -0.656  -8.244
  291   1HD1  LEU  41          1HD1      LEU  41  51.035  -2.663  -6.842
  292   2HD1  LEU  41          2HD1      LEU  41  49.340  -2.273  -6.544
  293   3HD1  LEU  41          3HD1      LEU  41  50.609  -1.195  -5.962
  294   1HD2  LEU  41          1HD2      LEU  41  49.955  -1.477 -10.149
  295   2HD2  LEU  41          2HD2      LEU  41  48.971  -2.468  -9.073
  296   3HD2  LEU  41          3HD2      LEU  41  50.690  -2.813  -9.263
  297    H    GLN  42           H        GLN  42  46.817   0.349  -9.850
  298    HA   GLN  42           HA       GLN  42  45.719   3.006  -9.340
  299   1HB   GLN  42          1HB       GLN  42  45.081   1.812 -11.427
  300   2HB   GLN  42          2HB       GLN  42  44.365   0.536 -10.452
  301   1HG   GLN  42          1HG       GLN  42  42.806   2.184  -9.489
  302   2HG   GLN  42          2HG       GLN  42  43.488   3.413 -10.551
  303   1HE2  GLN  42          1HE2      GLN  42  42.998   0.092 -11.508
  304   2HE2  GLN  42          2HE2      GLN  42  41.721   0.399 -12.635
  305    H    VAL  43           H        VAL  43  45.245   3.368  -7.279
  306    HA   VAL  43           HA       VAL  43  44.589   1.253  -5.456
  307    HB   VAL  43           HB       VAL  43  44.416   4.240  -5.025
  308   1HG1  VAL  43          1HG1      VAL  43  44.567   3.670  -2.641
  309   2HG1  VAL  43          2HG1      VAL  43  44.517   1.957  -3.058
  310   3HG1  VAL  43          3HG1      VAL  43  43.127   2.988  -3.395
  311   1HG2  VAL  43          1HG2      VAL  43  46.616   4.003  -3.929
  312   2HG2  VAL  43          2HG2      VAL  43  46.670   3.625  -5.650
  313   3HG2  VAL  43          3HG2      VAL  43  46.675   2.322  -4.461
  314    H    LEU  44           H        LEU  44  42.698   0.286  -5.841
  315    HA   LEU  44           HA       LEU  44  40.358   1.728  -6.678
  316   1HB   LEU  44          1HB       LEU  44  40.614  -1.112  -5.677
  317   2HB   LEU  44          2HB       LEU  44  39.217  -0.432  -6.485
  318    HG   LEU  44           HG       LEU  44  41.937  -0.826  -7.735
  319   1HD1  LEU  44          1HD1      LEU  44  39.351  -2.319  -8.140
  320   2HD1  LEU  44          2HD1      LEU  44  40.785  -2.934  -7.317
  321   3HD1  LEU  44          3HD1      LEU  44  40.845  -2.571  -9.042
  322   1HD2  LEU  44          1HD2      LEU  44  40.757   1.095  -8.672
  323   2HD2  LEU  44          2HD2      LEU  44  39.332   0.094  -8.948
  324   3HD2  LEU  44          3HD2      LEU  44  40.826  -0.237  -9.828
  325    H    LYS  45           H        LYS  45  40.032   3.245  -5.045
  326    HA   LYS  45           HA       LYS  45  39.536   2.229  -2.353
  327   1HB   LYS  45          1HB       LYS  45  41.001   4.213  -2.642
  328   2HB   LYS  45          2HB       LYS  45  39.641   5.089  -3.331
  329   1HG   LYS  45          1HG       LYS  45  38.426   4.867  -1.220
  330   2HG   LYS  45          2HG       LYS  45  39.793   3.992  -0.528
  331   1HD   LYS  45          1HD       LYS  45  39.900   6.277   0.194
  332   2HD   LYS  45          2HD       LYS  45  41.210   5.990  -0.952
  333   1HE   LYS  45          1HE       LYS  45  39.833   6.997  -2.733
  334   2HE   LYS  45          2HE       LYS  45  38.574   7.337  -1.543
  335   1HZ   LYS  45          1HZ       LYS  45  41.320   8.459  -1.629
  336   2HZ   LYS  45          2HZ       LYS  45  40.263   8.661  -0.315
  337   3HZ   LYS  45          3HZ       LYS  45  39.858   9.299  -1.832
  338    H    ALA  46           H        ALA  46  37.568   1.208  -2.663
  339    HA   ALA  46           HA       ALA  46  35.303   2.860  -3.500
  340   1HB   ALA  46          1HB       ALA  46  35.456  -0.084  -2.857
  341   2HB   ALA  46          2HB       ALA  46  35.457   0.632  -4.469
  342   3HB   ALA  46          3HB       ALA  46  34.025   0.761  -3.448
  343    H    CYS  47           H        CYS  47  36.949   2.755  -0.858
  344    HA   CYS  47           HA       CYS  47  36.620   3.248   1.318
  345   1HB   CYS  47          1HB       CYS  47  33.706   3.421   0.535
  346   2HB   CYS  47          2HB       CYS  47  34.331   3.845   2.125
  347    HG   CYS  47           HG       CYS  47  34.807   6.285   1.536
  348    H    GLY  48           H        GLY  48  34.167   0.944   0.141
  349   1HA   GLY  48          1HA       GLY  48  34.075  -0.597   2.520
  350   2HA   GLY  48          2HA       GLY  48  33.587  -1.140   0.920
  351    H    ALA  49           H        ALA  49  35.706  -1.279  -0.573
  352    HA   ALA  49           HA       ALA  49  37.803  -2.668   0.959
  353   1HB   ALA  49          1HB       ALA  49  38.033  -4.277  -0.847
  354   2HB   ALA  49          2HB       ALA  49  36.741  -3.479  -1.745
  355   3HB   ALA  49          3HB       ALA  49  36.384  -4.291  -0.220
  356    H    VAL  50           H        VAL  50  39.847  -2.103   0.499
  357    HA   VAL  50           HA       VAL  50  40.280  -0.272  -1.773
  358    HB   VAL  50           HB       VAL  50  41.994  -0.630   0.696
  359   1HG1  VAL  50          1HG1      VAL  50  43.165   1.374  -0.086
  360   2HG1  VAL  50          2HG1      VAL  50  42.172   1.384  -1.544
  361   3HG1  VAL  50          3HG1      VAL  50  43.289   0.052  -1.246
  362   1HG2  VAL  50          1HG2      VAL  50  41.182   1.601   1.342
  363   2HG2  VAL  50          2HG2      VAL  50  39.880   0.415   1.269
  364   3HG2  VAL  50          3HG2      VAL  50  40.080   1.585  -0.035
  365    H    ASP  51           H        ASP  51  41.060  -1.315  -3.477
  366    HA   ASP  51           HA       ASP  51  42.850  -3.607  -3.017
  367   1HB   ASP  51          1HB       ASP  51  40.907  -3.089  -5.271
  368   2HB   ASP  51          2HB       ASP  51  42.101  -4.381  -5.293
  369    H    TYR  52           H        TYR  52  44.597  -3.937  -4.436
  370    HA   TYR  52           HA       TYR  52  45.516  -1.476  -5.752
  371   1HB   TYR  52          1HB       TYR  52  47.146  -3.798  -4.688
  372   2HB   TYR  52          2HB       TYR  52  47.801  -2.356  -5.458
  373    HD1  TYR  52           HD1      TYR  52  46.701  -3.828  -2.380
  374    HD2  TYR  52           HD2      TYR  52  47.402  -0.110  -4.328
  375    HE1  TYR  52           HE1      TYR  52  46.767  -2.701  -0.196
  376    HE2  TYR  52           HE2      TYR  52  47.470   1.024  -2.148
  377    HH   TYR  52           HH       TYR  52  47.712  -0.641   0.780
  378    H    PHE  53           H        PHE  53  45.103  -1.557  -7.848
  379    HA   PHE  53           HA       PHE  53  45.326  -4.148  -9.236
  380   1HB   PHE  53          1HB       PHE  53  43.036  -3.284  -9.129
  381   2HB   PHE  53          2HB       PHE  53  43.561  -1.764  -9.838
  382    HD1  PHE  53           HD1      PHE  53  43.632  -1.483 -12.155
  383    HD2  PHE  53           HD2      PHE  53  43.207  -5.387 -10.516
  384    HE1  PHE  53           HE1      PHE  53  43.156  -2.371 -14.398
  385    HE2  PHE  53           HE2      PHE  53  42.732  -6.282 -12.758
  386    HZ   PHE  53           HZ       PHE  53  42.709  -4.773 -14.703
  387    H    CYS  54           H        CYS  54  46.746  -4.307 -10.875
  388    HA   CYS  54           HA       CYS  54  48.317  -1.985 -11.591
  389   1HB   CYS  54          1HB       CYS  54  49.444  -4.136 -11.354
  390   2HB   CYS  54          2HB       CYS  54  48.413  -4.844 -12.589
  391    H    GLN  55           H        GLN  55  46.806  -0.635 -12.601
  392    HA   GLN  55           HA       GLN  55  45.285  -1.506 -14.849
  393   1HB   GLN  55          1HB       GLN  55  44.551   0.421 -13.544
  394   2HB   GLN  55          2HB       GLN  55  46.027   1.286 -13.946
  395   1HG   GLN  55          1HG       GLN  55  45.387   1.590 -16.169
  396   2HG   GLN  55          2HG       GLN  55  44.143   0.343 -16.076
  397   1HE2  GLN  55          1HE2      GLN  55  42.179   0.817 -15.151
  398   2HE2  GLN  55          2HE2      GLN  55  41.669   2.440 -14.821
  399    H    HIS  56           H        HIS  56  46.401  -2.375 -16.378
  400    HA   HIS  56           HA       HIS  56  48.006  -1.218 -18.273
  401   1HB   HIS  56          1HB       HIS  56  49.566  -2.112 -15.869
  402   2HB   HIS  56          2HB       HIS  56  50.230  -2.453 -17.458
  403    HD1  HIS  56           HD1      HIS  56  49.789   0.094 -18.968
  404    HD2  HIS  56           HD2      HIS  56  50.931   0.036 -14.960
  405    HE1  HIS  56           HE1      HIS  56  50.805   2.345 -18.515
  406    HE2  HIS  56           HE2      HIS  56  51.261   2.370 -16.040
  407    H    GLY  57           H        GLY  57  47.417  -3.937 -16.169
  408   1HA   GLY  57          1HA       GLY  57  46.243  -5.806 -17.334
  409   2HA   GLY  57          2HA       GLY  57  47.546  -5.730 -18.509
  410    H    HIS  58           H        HIS  58  47.382  -5.841 -14.930
  411    HA   HIS  58           HA       HIS  58  48.854  -8.378 -15.051
  412   1HB   HIS  58          1HB       HIS  58  49.642  -5.974 -13.414
  413   2HB   HIS  58          2HB       HIS  58  50.139  -7.602 -12.969
  414    HD2  HIS  58           HD2      HIS  58  51.148  -8.756 -15.780
  415    HE1  HIS  58           HE1      HIS  58  53.506  -5.251 -16.071
  416    HE2  HIS  58           HE2      HIS  58  53.258  -7.647 -16.778
  417    H    GLY  59           H        GLY  59  46.198  -6.760 -13.986
  418   1HA   GLY  59          1HA       GLY  59  44.482  -7.467 -12.618
  419   2HA   GLY  59          2HA       GLY  59  45.443  -8.885 -12.221
  420    H    LEU  60           H        LEU  60  45.005  -8.793 -10.021
  421    HA   LEU  60           HA       LEU  60  45.876  -6.384  -8.594
  422   1HB   LEU  60          1HB       LEU  60  44.246  -8.762  -7.707
  423   2HB   LEU  60          2HB       LEU  60  44.834  -7.543  -6.597
  424    HG   LEU  60           HG       LEU  60  43.536  -5.853  -8.029
  425   1HD1  LEU  60          1HD1      LEU  60  42.215  -8.395  -8.972
  426   2HD1  LEU  60          2HD1      LEU  60  43.158  -7.286  -9.967
  427   3HD1  LEU  60          3HD1      LEU  60  41.632  -6.756  -9.261
  428   1HD2  LEU  60          1HD2      LEU  60  41.467  -6.305  -6.829
  429   2HD2  LEU  60          2HD2      LEU  60  42.865  -6.566  -5.783
  430   3HD2  LEU  60          3HD2      LEU  60  42.015  -7.945  -6.479
  431    H    ILE  61           H        ILE  61  47.385  -6.483  -6.930
  432    HA   ILE  61           HA       ILE  61  49.161  -8.826  -7.068
  433    HB   ILE  61           HB       ILE  61  49.852  -6.055  -6.078
  434   1HG1  ILE  61          1HG1      ILE  61  50.459  -7.311  -8.763
  435   2HG1  ILE  61          2HG1      ILE  61  49.267  -6.045  -8.483
  436   1HG2  ILE  61          1HG2      ILE  61  51.587  -8.419  -6.792
  437   2HG2  ILE  61          2HG2      ILE  61  51.270  -7.807  -5.169
  438   3HG2  ILE  61          3HG2      ILE  61  52.173  -6.822  -6.321
  439   1HD1  ILE  61          1HD1      ILE  61  51.346  -5.168  -9.399
  440   2HD1  ILE  61          2HD1      ILE  61  52.224  -5.799  -8.006
  441   3HD1  ILE  61          3HD1      ILE  61  51.022  -4.528  -7.788
  442    H    SER  62           H        SER  62  49.817  -9.840  -5.196
  443    HA   SER  62           HA       SER  62  48.229  -9.812  -2.914
  444   1HB   SER  62          1HB       SER  62  51.156 -10.581  -2.991
  445   2HB   SER  62          2HB       SER  62  49.904 -11.216  -1.921
  446    HG   SER  62           HG       SER  62  49.373 -12.594  -3.411
  447    H    LYS  63           H        LYS  63  48.197  -8.600  -1.104
  448    HA   LYS  63           HA       LYS  63  49.162  -6.008  -1.135
  449   1HB   LYS  63          1HB       LYS  63  48.415  -7.653   1.288
  450   2HB   LYS  63          2HB       LYS  63  48.526  -5.900   1.240
  451   1HG   LYS  63          1HG       LYS  63  46.703  -5.815  -0.374
  452   2HG   LYS  63          2HG       LYS  63  46.600  -7.578  -0.353
  453   1HD   LYS  63          1HD       LYS  63  46.091  -7.485   2.065
  454   2HD   LYS  63          2HD       LYS  63  46.118  -5.723   1.979
  455   1HE   LYS  63          1HE       LYS  63  43.834  -6.524   1.894
  456   2HE   LYS  63          2HE       LYS  63  44.276  -5.793   0.351
  457   1HZ   LYS  63          1HZ       LYS  63  43.056  -7.855   0.050
  458   2HZ   LYS  63          2HZ       LYS  63  44.229  -8.710   0.934
  459   3HZ   LYS  63          3HZ       LYS  63  44.632  -8.003  -0.550
  460    H    LYS  64           H        LYS  64  50.627  -8.860   0.339
  461    HA   LYS  64           HA       LYS  64  52.735  -7.253   1.536
  462   1HB   LYS  64          1HB       LYS  64  52.226 -10.233   1.606
  463   2HB   LYS  64          2HB       LYS  64  53.492  -9.402   2.501
  464   1HG   LYS  64          1HG       LYS  64  51.838  -8.183   3.777
  465   2HG   LYS  64          2HG       LYS  64  50.538  -8.915   2.835
  466   1HD   LYS  64          1HD       LYS  64  51.155 -11.118   3.663
  467   2HD   LYS  64          2HD       LYS  64  52.505 -10.418   4.558
  468   1HE   LYS  64          1HE       LYS  64  50.954  -9.133   5.923
  469   2HE   LYS  64          2HE       LYS  64  49.592  -9.777   5.006
  470   1HZ   LYS  64          1HZ       LYS  64  49.959 -10.923   7.137
  471   2HZ   LYS  64          2HZ       LYS  64  51.481 -11.432   6.588
  472   3HZ   LYS  64          3HZ       LYS  64  50.078 -11.967   5.805
  473    H    ARG  65           H        ARG  65  52.277  -8.166  -1.495
  474    HA   ARG  65           HA       ARG  65  55.098  -8.923  -1.908
  475   1HB   ARG  65          1HB       ARG  65  53.336 -10.638  -2.552
  476   2HB   ARG  65          2HB       ARG  65  52.827  -9.519  -3.809
  477   1HG   ARG  65          1HG       ARG  65  55.051  -9.624  -4.811
  478   2HG   ARG  65          2HG       ARG  65  55.568 -10.743  -3.549
  479   1HD   ARG  65          1HD       ARG  65  53.374 -11.225  -5.558
  480   2HD   ARG  65          2HD       ARG  65  54.991 -11.921  -5.607
  481    HE   ARG  65           HE       ARG  65  53.418 -12.460  -3.214
  482   1HH1  ARG  65          1HH1      ARG  65  54.619 -13.588  -6.306
  483   2HH1  ARG  65          2HH1      ARG  65  54.199 -15.251  -6.005
  484   1HH2  ARG  65          1HH2      ARG  65  52.916 -14.639  -2.795
  485   2HH2  ARG  65          2HH2      ARG  65  53.253 -15.852  -3.992
  486    H    VAL  66           H        VAL  66  52.903  -6.468  -2.210
  487    HA   VAL  66           HA       VAL  66  53.564  -5.319  -4.713
  488    HB   VAL  66           HB       VAL  66  52.626  -3.945  -2.181
  489   1HG1  VAL  66          1HG1      VAL  66  51.824  -2.169  -3.636
  490   2HG1  VAL  66          2HG1      VAL  66  52.480  -3.011  -5.041
  491   3HG1  VAL  66          3HG1      VAL  66  53.566  -2.380  -3.804
  492   1HG2  VAL  66          1HG2      VAL  66  50.381  -4.102  -3.169
  493   2HG2  VAL  66          2HG2      VAL  66  51.082  -5.688  -2.844
  494   3HG2  VAL  66          3HG2      VAL  66  51.047  -5.061  -4.492
  495    H    GLU  67           H        GLU  67  55.074  -3.673  -5.221
  496    HA   GLU  67           HA       GLU  67  57.471  -3.743  -3.625
  497   1HB   GLU  67          1HB       GLU  67  57.475  -3.663  -6.153
  498   2HB   GLU  67          2HB       GLU  67  56.929  -1.993  -6.032
  499   1HG   GLU  67          1HG       GLU  67  58.975  -1.502  -4.687
  500   2HG   GLU  67          2HG       GLU  67  59.527  -3.139  -5.029
  501    H    PHE  68           H        PHE  68  57.438  -2.637  -1.796
  502    HA   PHE  68           HA       PHE  68  56.135  -0.021  -1.730
  503   1HB   PHE  68          1HB       PHE  68  57.080  -1.851   0.478
  504   2HB   PHE  68          2HB       PHE  68  56.433  -0.240   0.754
  505    HD1  PHE  68           HD1      PHE  68  54.086   0.177  -0.429
  506    HD2  PHE  68           HD2      PHE  68  55.646  -3.627   0.673
  507    HE1  PHE  68           HE1      PHE  68  51.803  -0.740  -0.383
  508    HE2  PHE  68           HE2      PHE  68  53.366  -4.554   0.719
  509    HZ   PHE  68           HZ       PHE  68  51.441  -3.108   0.192
  510    H    VAL  69           H        VAL  69  57.449   1.576  -2.287
  511    HA   VAL  69           HA       VAL  69  60.223   1.512  -1.336
  512    HB   VAL  69           HB       VAL  69  60.628   3.414  -2.853
  513   1HG1  VAL  69          1HG1      VAL  69  60.404   2.188  -4.969
  514   2HG1  VAL  69          2HG1      VAL  69  59.326   1.037  -4.178
  515   3HG1  VAL  69          3HG1      VAL  69  61.010   1.163  -3.667
  516   1HG2  VAL  69          1HG2      VAL  69  57.744   3.030  -3.651
  517   2HG2  VAL  69          2HG2      VAL  69  58.907   4.047  -4.502
  518   3HG2  VAL  69          3HG2      VAL  69  58.435   4.439  -2.849
  519    H    LEU  70           H        LEU  70  61.121   3.380  -0.302
  520    HA   LEU  70           HA       LEU  70  59.393   4.389   1.725
  521   1HB   LEU  70          1HB       LEU  70  62.184   5.300   1.018
  522   2HB   LEU  70          2HB       LEU  70  61.348   5.580   2.533
  523    HG   LEU  70           HG       LEU  70  62.258   2.896   1.485
  524   1HD1  LEU  70          1HD1      LEU  70  63.810   2.957   3.375
  525   2HD1  LEU  70          2HD1      LEU  70  63.258   4.585   3.769
  526   3HD1  LEU  70          3HD1      LEU  70  64.099   4.284   2.249
  527   1HD2  LEU  70          1HD2      LEU  70  60.188   2.702   2.765
  528   2HD2  LEU  70          2HD2      LEU  70  60.914   3.615   4.088
  529   3HD2  LEU  70          3HD2      LEU  70  61.552   2.028   3.657
  530    H    ALA  71           H        ALA  71  58.039   6.032   1.551
  531    HA   ALA  71           HA       ALA  71  58.153   7.807  -0.713
  532   1HB   ALA  71          1HB       ALA  71  56.020   6.948   0.165
  533   2HB   ALA  71          2HB       ALA  71  56.073   8.710   0.122
  534   3HB   ALA  71          3HB       ALA  71  56.285   7.860   1.651
  Start of MODEL    9
    1    H    MET   1           H        MET   1  66.206 -10.214   8.043
    2    HA   MET   1           HA       MET   1  65.183  -8.115   7.408
    3   1HB   MET   1          1HB       MET   1  64.111  -9.507   9.122
    4   2HB   MET   1          2HB       MET   1  65.071  -8.725  10.371
    5   1HG   MET   1          1HG       MET   1  62.776  -7.871  10.265
    6   2HG   MET   1          2HG       MET   1  63.980  -6.621   9.961
    7   1HE   MET   1          1HE       MET   1  62.641  -9.451   7.550
    8   2HE   MET   1          2HE       MET   1  61.372  -8.579   6.690
    9   3HE   MET   1          3HE       MET   1  61.201  -8.910   8.413
   10    H    GLU   2           H        GLU   2  65.424  -5.987   7.221
   11    HA   GLU   2           HA       GLU   2  67.030  -4.538   9.166
   12   1HB   GLU   2          1HB       GLU   2  68.406  -3.562   7.279
   13   2HB   GLU   2          2HB       GLU   2  68.738  -5.241   7.679
   14   1HG   GLU   2          1HG       GLU   2  67.133  -5.829   5.785
   15   2HG   GLU   2          2HG       GLU   2  67.278  -4.140   5.305
   16    H    LEU   3           H        LEU   3  65.383  -3.235   9.748
   17    HA   LEU   3           HA       LEU   3  64.416  -1.374   7.675
   18   1HB   LEU   3          1HB       LEU   3  62.846  -2.467  10.015
   19   2HB   LEU   3          2HB       LEU   3  62.291  -1.197   8.943
   20    HG   LEU   3           HG       LEU   3  62.874  -4.039   8.101
   21   1HD1  LEU   3          1HD1      LEU   3  60.929  -3.912   9.562
   22   2HD1  LEU   3          2HD1      LEU   3  60.448  -4.257   7.900
   23   3HD1  LEU   3          3HD1      LEU   3  60.247  -2.633   8.558
   24   1HD2  LEU   3          1HD2      LEU   3  61.772  -3.389   6.013
   25   2HD2  LEU   3          2HD2      LEU   3  63.223  -2.432   6.305
   26   3HD2  LEU   3          3HD2      LEU   3  61.632  -1.734   6.603
   27    H    HIS   4           H        HIS   4  65.806   0.286   8.155
   28    HA   HIS   4           HA       HIS   4  65.727   1.273  10.928
   29   1HB   HIS   4          1HB       HIS   4  68.124   1.206   9.085
   30   2HB   HIS   4          2HB       HIS   4  68.083   2.023  10.639
   31    HD1  HIS   4           HD1      HIS   4  68.753  -1.200   9.083
   32    HD2  HIS   4           HD2      HIS   4  67.771   0.180  12.882
   33    HE1  HIS   4           HE1      HIS   4  69.308  -3.085  10.655
   34    HE2  HIS   4           HE2      HIS   4  68.900  -2.150  12.956
   35    H    CYS   5           H        CYS   5  66.280   3.557  11.130
   36    HA   CYS   5           HA       CYS   5  64.827   5.112   9.195
   37   1HB   CYS   5          1HB       CYS   5  66.319   5.999  11.669
   38   2HB   CYS   5          2HB       CYS   5  65.169   6.961  10.752
   39    HA   PRO   6           HA       PRO   6  68.481   6.739   7.190
   40   1HB   PRO   6          1HB       PRO   6  67.357   8.688   5.754
   41   2HB   PRO   6          2HB       PRO   6  67.003   6.991   5.413
   42   1HG   PRO   6          1HG       PRO   6  65.355   9.017   6.859
   43   2HG   PRO   6          2HG       PRO   6  64.840   7.741   5.742
   44   1HD   PRO   6          1HD       PRO   6  64.748   7.598   8.528
   45   2HD   PRO   6          2HD       PRO   6  64.665   6.215   7.421
   46    H    GLN   7           H        GLN   7  67.170   7.990   9.833
   47    HA   GLN   7           HA       GLN   7  69.095  10.160   9.976
   48   1HB   GLN   7          1HB       GLN   7  67.043  11.243   9.146
   49   2HB   GLN   7          2HB       GLN   7  66.157  10.612  10.528
   50   1HG   GLN   7          1HG       GLN   7  67.600  11.911  12.027
   51   2HG   GLN   7          2HG       GLN   7  68.438  12.575  10.625
   52   1HE2  GLN   7          1HE2      GLN   7  65.945  12.717   9.064
   53   2HE2  GLN   7          2HE2      GLN   7  65.085  14.082   9.690
   54    H    CYS   8           H        CYS   8  66.282   9.076  11.898
   55    HA   CYS   8           HA       CYS   8  68.031   9.001  14.231
   56   1HB   CYS   8          1HB       CYS   8  65.964   8.999  15.580
   57   2HB   CYS   8          2HB       CYS   8  66.055  10.396  14.516
   58    H    GLN   9           H        GLN   9  68.903   7.134  13.238
   59    HA   GLN   9           HA       GLN   9  68.038   4.695  12.667
   60   1HB   GLN   9          1HB       GLN   9  70.289   5.408  14.535
   61   2HB   GLN   9          2HB       GLN   9  70.018   3.772  13.956
   62   1HG   GLN   9          1HG       GLN   9  70.420   6.120  12.127
   63   2HG   GLN   9          2HG       GLN   9  71.737   5.106  12.715
   64   1HE2  GLN   9          1HE2      GLN   9  72.285   4.376  10.698
   65   2HE2  GLN   9          2HE2      GLN   9  71.298   3.273   9.798
   66    H    HIS  10           H        HIS  10  66.313   3.688  13.472
   67    HA   HIS  10           HA       HIS  10  66.592   2.471  16.068
   68   1HB   HIS  10          1HB       HIS  10  65.303   4.697  16.357
   69   2HB   HIS  10          2HB       HIS  10  63.985   3.882  15.524
   70    HD1  HIS  10           HD1      HIS  10  65.556   4.280  18.799
   71    HD2  HIS  10           HD2      HIS  10  62.952   1.587  16.988
   72    HE1  HIS  10           HE1      HIS  10  64.499   2.984  20.680
   73    HE2  HIS  10           HE2      HIS  10  63.034   1.268  19.556
   74    H    VAL  11           H        VAL  11  63.686   2.939  14.069
   75    HA   VAL  11           HA       VAL  11  63.959   0.570  12.559
   76    HB   VAL  11           HB       VAL  11  63.592  -0.475  14.796
   77   1HG1  VAL  11          1HG1      VAL  11  60.897   0.861  14.621
   78   2HG1  VAL  11          2HG1      VAL  11  62.164   1.197  15.801
   79   3HG1  VAL  11          3HG1      VAL  11  61.351  -0.370  15.799
   80   1HG2  VAL  11          1HG2      VAL  11  61.386  -0.918  12.786
   81   2HG2  VAL  11          2HG2      VAL  11  61.838  -2.032  14.077
   82   3HG2  VAL  11          3HG2      VAL  11  62.977  -1.678  12.778
   83    H    LEU  12           H        LEU  12  62.375   0.425  10.989
   84    HA   LEU  12           HA       LEU  12  60.396   2.575  10.918
   85   1HB   LEU  12          1HB       LEU  12  61.199   0.560   8.816
   86   2HB   LEU  12          2HB       LEU  12  60.023   1.838   8.582
   87    HG   LEU  12           HG       LEU  12  62.959   2.246   9.159
   88   1HD1  LEU  12          1HD1      LEU  12  62.537   1.354   6.923
   89   2HD1  LEU  12          2HD1      LEU  12  63.079   3.031   6.857
   90   3HD1  LEU  12          3HD1      LEU  12  61.373   2.646   6.626
   91   1HD2  LEU  12          1HD2      LEU  12  62.500   4.601   8.684
   92   2HD2  LEU  12          2HD2      LEU  12  61.577   4.037  10.078
   93   3HD2  LEU  12          3HD2      LEU  12  60.783   4.234   8.514
   94    H    ASP  13           H        ASP  13  58.519   2.148  11.884
   95    HA   ASP  13           HA       ASP  13  57.452  -0.593  11.806
   96   1HB   ASP  13          1HB       ASP  13  57.839   0.483  14.045
   97   2HB   ASP  13          2HB       ASP  13  56.641   1.696  13.617
   98    H    GLN  14           H        GLN  14  56.528  -0.493   9.751
   99    HA   GLN  14           HA       GLN  14  54.995   1.767   8.923
  100   1HB   GLN  14          1HB       GLN  14  54.556   0.542   6.878
  101   2HB   GLN  14          2HB       GLN  14  56.254   0.411   7.301
  102   1HG   GLN  14          1HG       GLN  14  54.214  -1.723   7.877
  103   2HG   GLN  14          2HG       GLN  14  55.204  -1.670   6.421
  104   1HE2  GLN  14          1HE2      GLN  14  57.556  -0.680   7.799
  105   2HE2  GLN  14          2HE2      GLN  14  58.188  -2.011   8.704
  106    H    ASP  15           H        ASP  15  52.900   2.139   9.005
  107    HA   ASP  15           HA       ASP  15  51.267   0.264  10.526
  108   1HB   ASP  15          1HB       ASP  15  49.672   2.231  10.662
  109   2HB   ASP  15          2HB       ASP  15  51.217   2.438  11.469
  110    H    ASN  16           H        ASN  16  50.837   2.369   7.680
  111    HA   ASN  16           HA       ASN  16  49.778   0.241   6.096
  112   1HB   ASN  16          1HB       ASN  16  47.821   0.752   7.598
  113   2HB   ASN  16          2HB       ASN  16  47.789   2.373   6.911
  114   1HD2  ASN  16          1HD2      ASN  16  47.118  -0.972   6.391
  115   2HD2  ASN  16          2HD2      ASN  16  46.248  -0.786   4.909
  116    H    GLY  17           H        GLY  17  50.939   0.809   4.351
  117   1HA   GLY  17          1HA       GLY  17  51.026   1.930   2.294
  118   2HA   GLY  17          2HA       GLY  17  50.157   3.275   3.015
  119    H    HIS  18           H        HIS  18  51.857   3.700   5.249
  120    HA   HIS  18           HA       HIS  18  54.318   4.556   3.887
  121   1HB   HIS  18          1HB       HIS  18  54.272   6.661   5.138
  122   2HB   HIS  18          2HB       HIS  18  52.831   6.483   4.148
  123    HD1  HIS  18           HD1      HIS  18  53.951   7.031   7.592
  124    HD2  HIS  18           HD2      HIS  18  50.443   5.899   5.675
  125    HE1  HIS  18           HE1      HIS  18  52.123   7.351   9.288
  126    HE2  HIS  18           HE2      HIS  18  50.041   6.490   8.163
  127    H    ALA  19           H        ALA  19  56.003   5.301   5.581
  128    HA   ALA  19           HA       ALA  19  56.196   3.084   7.500
  129   1HB   ALA  19          1HB       ALA  19  57.903   3.142   5.729
  130   2HB   ALA  19          2HB       ALA  19  58.597   3.314   7.341
  131   3HB   ALA  19          3HB       ALA  19  58.419   4.729   6.303
  132    H    ARG  20           H        ARG  20  55.638   3.689   9.458
  133    HA   ARG  20           HA       ARG  20  56.371   6.340  10.466
  134   1HB   ARG  20          1HB       ARG  20  54.080   5.790  10.852
  135   2HB   ARG  20          2HB       ARG  20  54.489   4.176  11.410
  136   1HG   ARG  20          1HG       ARG  20  55.697   5.373  13.337
  137   2HG   ARG  20          2HG       ARG  20  54.762   6.789  12.842
  138   1HD   ARG  20          1HD       ARG  20  53.635   5.510  14.618
  139   2HD   ARG  20          2HD       ARG  20  52.691   5.559  13.128
  140    HE   ARG  20           HE       ARG  20  54.403   3.236  13.473
  141   1HH1  ARG  20          1HH1      ARG  20  51.190   4.589  13.838
  142   2HH1  ARG  20          2HH1      ARG  20  50.413   3.043  13.870
  143   1HH2  ARG  20          1HH2      ARG  20  53.391   1.195  13.530
  144   2HH2  ARG  20          2HH2      ARG  20  51.659   1.111  13.683
  145    H    CYS  21           H        CYS  21  58.500   6.277  11.194
  146    HA   CYS  21           HA       CYS  21  59.599   3.847  12.197
  147   1HB   CYS  21          1HB       CYS  21  61.598   5.131  12.727
  148   2HB   CYS  21          2HB       CYS  21  61.029   5.496  11.105
  149    H    ARG  22           H        ARG  22  59.330   2.988  14.077
  150    HA   ARG  22           HA       ARG  22  57.404   4.040  15.808
  151   1HB   ARG  22          1HB       ARG  22  57.993   1.613  15.317
  152   2HB   ARG  22          2HB       ARG  22  59.301   1.802  16.474
  153   1HG   ARG  22          1HG       ARG  22  57.817   2.099  18.266
  154   2HG   ARG  22          2HG       ARG  22  56.443   2.376  17.189
  155   1HD   ARG  22          1HD       ARG  22  56.633   0.060  16.385
  156   2HD   ARG  22          2HD       ARG  22  57.967  -0.208  17.504
  157    HE   ARG  22           HE       ARG  22  56.171   0.450  19.255
  158   1HH1  ARG  22          1HH1      ARG  22  55.571  -1.343  16.286
  159   2HH1  ARG  22          2HH1      ARG  22  54.304  -2.302  16.991
  160   1HH2  ARG  22          1HH2      ARG  22  54.507  -0.808  20.161
  161   2HH2  ARG  22          2HH2      ARG  22  53.707  -2.014  19.197
  162    H    SER  23           H        SER  23  57.509   5.311  17.469
  163    HA   SER  23           HA       SER  23  58.144   6.301  19.388
  164   1HB   SER  23          1HB       SER  23  60.609   4.559  19.228
  165   2HB   SER  23          2HB       SER  23  60.112   5.512  20.627
  166    HG   SER  23           HG       SER  23  58.403   4.192  20.952
  167    H    CYS  24           H        CYS  24  60.525   6.220  16.773
  168    HA   CYS  24           HA       CYS  24  61.771   8.591  17.901
  169   1HB   CYS  24          1HB       CYS  24  63.389   8.257  15.918
  170   2HB   CYS  24          2HB       CYS  24  63.447   7.153  17.285
  171    H    GLY  25           H        GLY  25  59.207   8.150  15.781
  172   1HA   GLY  25          1HA       GLY  25  57.985  10.226  15.653
  173   2HA   GLY  25          2HA       GLY  25  59.502  11.060  15.423
  174    H    GLU  26           H        GLU  26  60.622   9.914  13.243
  175    HA   GLU  26           HA       GLU  26  59.607  11.419  11.220
  176   1HB   GLU  26          1HB       GLU  26  60.894   8.755  10.659
  177   2HB   GLU  26          2HB       GLU  26  60.929  10.196   9.659
  178   1HG   GLU  26          1HG       GLU  26  62.530  11.217  10.955
  179   2HG   GLU  26          2HG       GLU  26  62.137  10.256  12.384
  180    H    PHE  27           H        PHE  27  57.771  11.427  10.115
  181    HA   PHE  27           HA       PHE  27  56.424   8.898   9.546
  182   1HB   PHE  27          1HB       PHE  27  55.548  11.770   9.356
  183   2HB   PHE  27          2HB       PHE  27  54.674  10.502   8.505
  184    HD1  PHE  27           HD1      PHE  27  53.733   8.586   9.849
  185    HD2  PHE  27           HD2      PHE  27  55.161  12.179  11.627
  186    HE1  PHE  27           HE1      PHE  27  52.450   8.081  11.885
  187    HE2  PHE  27           HE2      PHE  27  53.882  11.677  13.670
  188    HZ   PHE  27           HZ       PHE  27  52.525   9.627  13.799
  189    H    ILE  28           H        ILE  28  57.606   7.978   7.986
  190    HA   ILE  28           HA       ILE  28  58.333   9.520   5.603
  191    HB   ILE  28           HB       ILE  28  59.097   6.710   6.442
  192   1HG1  ILE  28          1HG1      ILE  28  60.741   9.249   6.456
  193   2HG1  ILE  28          2HG1      ILE  28  60.022   8.510   7.883
  194   1HG2  ILE  28          1HG2      ILE  28  60.784   6.854   4.653
  195   2HG2  ILE  28          2HG2      ILE  28  60.090   8.397   4.149
  196   3HG2  ILE  28          3HG2      ILE  28  59.134   6.919   4.034
  197   1HD1  ILE  28          1HD1      ILE  28  62.111   7.263   6.112
  198   2HD1  ILE  28          2HD1      ILE  28  61.400   6.528   7.549
  199   3HD1  ILE  28          3HD1      ILE  28  62.385   7.983   7.700
  200    H    GLU  29           H        GLU  29  57.589   8.906   3.532
  201    HA   GLU  29           HA       GLU  29  55.232   7.157   3.613
  202   1HB   GLU  29          1HB       GLU  29  56.007   9.245   1.574
  203   2HB   GLU  29          2HB       GLU  29  54.552   8.258   1.519
  204   1HG   GLU  29          1HG       GLU  29  53.931   9.241   3.743
  205   2HG   GLU  29          2HG       GLU  29  55.274  10.363   3.534
  206    H    MET  30           H        MET  30  54.925   5.579   2.041
  207    HA   MET  30           HA       MET  30  57.404   4.722   0.713
  208   1HB   MET  30          1HB       MET  30  55.137   3.014   1.761
  209   2HB   MET  30          2HB       MET  30  56.572   2.413   0.940
  210   1HG   MET  30          1HG       MET  30  56.658   3.969   3.509
  211   2HG   MET  30          2HG       MET  30  56.588   2.212   3.437
  212   1HE   MET  30          1HE       MET  30  58.491   0.673   2.665
  213   2HE   MET  30          2HE       MET  30  59.974   1.224   1.881
  214   3HE   MET  30          3HE       MET  30  58.425   1.396   1.056
  215    H    LYS  31           H        LYS  31  57.167   3.707  -1.340
  216    HA   LYS  31           HA       LYS  31  54.751   4.611  -2.751
  217   1HB   LYS  31          1HB       LYS  31  56.824   5.948  -3.181
  218   2HB   LYS  31          2HB       LYS  31  57.570   4.501  -3.836
  219   1HG   LYS  31          1HG       LYS  31  56.302   4.546  -5.747
  220   2HG   LYS  31          2HG       LYS  31  54.992   5.452  -4.985
  221   1HD   LYS  31          1HD       LYS  31  56.267   6.827  -6.588
  222   2HD   LYS  31          2HD       LYS  31  56.357   7.457  -4.942
  223   1HE   LYS  31          1HE       LYS  31  58.548   6.199  -4.732
  224   2HE   LYS  31          2HE       LYS  31  58.463   5.952  -6.475
  225   1HZ   LYS  31          1HZ       LYS  31  59.777   7.862  -6.117
  226   2HZ   LYS  31          2HZ       LYS  31  58.677   8.526  -5.015
  227   3HZ   LYS  31          3HZ       LYS  31  58.275   8.438  -6.664
  228    H    ALA  32           H        ALA  32  53.607   3.001  -3.531
  229    HA   ALA  32           HA       ALA  32  54.710   0.322  -3.567
  230   1HB   ALA  32          1HB       ALA  32  52.544   0.744  -2.517
  231   2HB   ALA  32          2HB       ALA  32  52.402  -0.393  -3.858
  232   3HB   ALA  32          3HB       ALA  32  51.898   1.283  -4.067
  233    H    LEU  33           H        LEU  33  55.600  -0.504  -5.325
  234    HA   LEU  33           HA       LEU  33  54.508   0.271  -7.955
  235   1HB   LEU  33          1HB       LEU  33  57.320  -0.625  -7.304
  236   2HB   LEU  33          2HB       LEU  33  56.721  -0.209  -8.896
  237    HG   LEU  33           HG       LEU  33  56.978   1.711  -6.578
  238   1HD1  LEU  33          1HD1      LEU  33  58.633   1.386  -9.078
  239   2HD1  LEU  33          2HD1      LEU  33  59.148   1.035  -7.427
  240   3HD1  LEU  33          3HD1      LEU  33  58.792   2.694  -7.906
  241   1HD2  LEU  33          1HD2      LEU  33  56.482   3.434  -8.236
  242   2HD2  LEU  33          2HD2      LEU  33  55.145   2.294  -8.081
  243   3HD2  LEU  33          3HD2      LEU  33  56.236   2.191  -9.461
  244    H    CYS  34           H        CYS  34  54.153  -1.361  -9.463
  245    HA   CYS  34           HA       CYS  34  53.874  -4.043  -8.455
  246   1HB   CYS  34          1HB       CYS  34  52.303  -3.096 -10.127
  247   2HB   CYS  34          2HB       CYS  34  53.618  -3.009 -11.290
  248    HA   PRO  35           HA       PRO  35  58.096  -5.091  -8.965
  249   1HB   PRO  35          1HB       PRO  35  57.783  -7.834  -9.245
  250   2HB   PRO  35          2HB       PRO  35  57.876  -6.959  -7.714
  251   1HG   PRO  35          1HG       PRO  35  55.482  -7.945  -9.194
  252   2HG   PRO  35          2HG       PRO  35  55.786  -7.902  -7.449
  253   1HD   PRO  35          1HD       PRO  35  54.177  -6.118  -8.650
  254   2HD   PRO  35          2HD       PRO  35  55.210  -5.664  -7.280
  255    H    ASP  36           H        ASP  36  55.785  -6.363 -11.331
  256    HA   ASP  36           HA       ASP  36  57.853  -7.339 -13.073
  257   1HB   ASP  36          1HB       ASP  36  56.159  -8.233 -14.393
  258   2HB   ASP  36          2HB       ASP  36  55.421  -8.223 -12.795
  259    H    CYS  37           H        CYS  37  55.970  -4.393 -12.872
  260    HA   CYS  37           HA       CYS  37  57.117  -3.535 -15.441
  261   1HB   CYS  37          1HB       CYS  37  54.880  -2.178 -15.587
  262   2HB   CYS  37          2HB       CYS  37  54.917  -3.873 -16.056
  263    H    HIS  38           H        HIS  38  56.674  -2.863 -12.176
  264    HA   HIS  38           HA       HIS  38  57.132  -1.146 -10.808
  265   1HB   HIS  38          1HB       HIS  38  58.897  -0.457 -13.137
  266   2HB   HIS  38          2HB       HIS  38  58.830   0.570 -11.704
  267    HD1  HIS  38           HD1      HIS  38  61.075  -1.670 -12.919
  268    HD2  HIS  38           HD2      HIS  38  58.911  -1.630  -9.365
  269    HE1  HIS  38           HE1      HIS  38  62.360  -3.133 -11.317
  270    HE2  HIS  38           HE2      HIS  38  61.120  -2.943  -9.125
  271    H    GLN  39           H        GLN  39  54.924  -0.929 -12.894
  272    HA   GLN  39           HA       GLN  39  54.365   1.844 -13.093
  273   1HB   GLN  39          1HB       GLN  39  52.510  -0.548 -13.009
  274   2HB   GLN  39          2HB       GLN  39  52.009   1.089 -13.406
  275   1HG   GLN  39          1HG       GLN  39  54.078  -0.440 -14.957
  276   2HG   GLN  39          2HG       GLN  39  52.362  -0.425 -15.352
  277   1HE2  GLN  39          1HE2      GLN  39  52.003   2.349 -14.590
  278   2HE2  GLN  39          2HE2      GLN  39  52.726   3.296 -15.842
  279    HA   PRO  40           HA       PRO  40  53.446   2.723  -8.812
  280   1HB   PRO  40          1HB       PRO  40  51.642   4.765  -9.983
  281   2HB   PRO  40          2HB       PRO  40  52.961   4.964  -8.824
  282   1HG   PRO  40          1HG       PRO  40  53.230   5.748 -11.362
  283   2HG   PRO  40          2HG       PRO  40  54.583   5.013 -10.480
  284   1HD   PRO  40          1HD       PRO  40  52.776   3.803 -12.533
  285   2HD   PRO  40          2HD       PRO  40  54.522   3.583 -12.297
  286    H    LEU  41           H        LEU  41  52.095   1.485  -7.691
  287    HA   LEU  41           HA       LEU  41  49.738   0.400  -8.863
  288   1HB   LEU  41          1HB       LEU  41  50.862   0.258  -6.074
  289   2HB   LEU  41          2HB       LEU  41  49.386  -0.560  -6.551
  290    HG   LEU  41           HG       LEU  41  52.131  -1.058  -7.709
  291   1HD1  LEU  41          1HD1      LEU  41  51.851  -1.898  -5.425
  292   2HD1  LEU  41          2HD1      LEU  41  51.967  -3.211  -6.596
  293   3HD1  LEU  41          3HD1      LEU  41  50.398  -2.762  -5.926
  294   1HD2  LEU  41          1HD2      LEU  41  50.447  -1.395  -9.398
  295   2HD2  LEU  41          2HD2      LEU  41  49.461  -2.335  -8.279
  296   3HD2  LEU  41          3HD2      LEU  41  51.014  -2.965  -8.827
  297    H    GLN  42           H        GLN  42  47.660   0.858  -8.562
  298    HA   GLN  42           HA       GLN  42  46.974   3.420  -7.430
  299   1HB   GLN  42          1HB       GLN  42  45.896   2.793  -9.482
  300   2HB   GLN  42          2HB       GLN  42  45.365   1.263  -8.802
  301   1HG   GLN  42          1HG       GLN  42  43.496   2.737  -8.938
  302   2HG   GLN  42          2HG       GLN  42  43.907   2.503  -7.243
  303   1HE2  GLN  42          1HE2      GLN  42  42.422   4.629  -8.581
  304   2HE2  GLN  42          2HE2      GLN  42  43.224   6.108  -8.157
  305    H    VAL  43           H        VAL  43  46.310   3.749  -5.424
  306    HA   VAL  43           HA       VAL  43  45.831   1.542  -3.631
  307    HB   VAL  43           HB       VAL  43  45.494   4.504  -3.102
  308   1HG1  VAL  43          1HG1      VAL  43  45.837   2.178  -1.212
  309   2HG1  VAL  43          2HG1      VAL  43  44.353   3.093  -1.480
  310   3HG1  VAL  43          3HG1      VAL  43  45.752   3.878  -0.749
  311   1HG2  VAL  43          1HG2      VAL  43  47.898   2.741  -2.639
  312   2HG2  VAL  43          2HG2      VAL  43  47.736   4.414  -2.110
  313   3HG2  VAL  43          3HG2      VAL  43  47.768   4.033  -3.831
  314    H    LEU  44           H        LEU  44  43.970   0.505  -4.004
  315    HA   LEU  44           HA       LEU  44  41.636   1.913  -4.962
  316   1HB   LEU  44          1HB       LEU  44  42.159  -0.984  -4.330
  317   2HB   LEU  44          2HB       LEU  44  40.604  -0.389  -4.874
  318    HG   LEU  44           HG       LEU  44  43.188  -0.345  -6.425
  319   1HD1  LEU  44          1HD1      LEU  44  40.604  -1.853  -6.792
  320   2HD1  LEU  44          2HD1      LEU  44  42.160  -2.534  -6.317
  321   3HD1  LEU  44          3HD1      LEU  44  41.951  -1.851  -7.930
  322   1HD2  LEU  44          1HD2      LEU  44  41.901   1.667  -6.875
  323   2HD2  LEU  44          2HD2      LEU  44  40.459   0.694  -7.169
  324   3HD2  LEU  44          3HD2      LEU  44  41.842   0.572  -8.257
  325    H    LYS  45           H        LYS  45  40.240   2.880  -3.616
  326    HA   LYS  45           HA       LYS  45  39.612   1.478  -1.114
  327   1HB   LYS  45          1HB       LYS  45  38.932   4.271  -2.037
  328   2HB   LYS  45          2HB       LYS  45  38.215   3.531  -0.612
  329   1HG   LYS  45          1HG       LYS  45  40.769   3.144  -0.001
  330   2HG   LYS  45          2HG       LYS  45  40.955   4.555  -1.048
  331   1HD   LYS  45          1HD       LYS  45  39.333   5.780   0.301
  332   2HD   LYS  45          2HD       LYS  45  39.116   4.368   1.337
  333   1HE   LYS  45          1HE       LYS  45  41.611   4.510   1.792
  334   2HE   LYS  45          2HE       LYS  45  41.553   6.100   1.029
  335   1HZ   LYS  45          1HZ       LYS  45  40.159   5.213   3.490
  336   2HZ   LYS  45          2HZ       LYS  45  39.762   6.650   2.682
  337   3HZ   LYS  45          3HZ       LYS  45  41.312   6.447   3.334
  338    H    ALA  46           H        ALA  46  38.476  -0.213  -1.994
  339    HA   ALA  46           HA       ALA  46  36.183   0.375  -3.701
  340   1HB   ALA  46          1HB       ALA  46  36.027  -2.032  -4.014
  341   2HB   ALA  46          2HB       ALA  46  37.289  -2.288  -2.809
  342   3HB   ALA  46          3HB       ALA  46  37.671  -1.476  -4.329
  343    H    CYS  47           H        CYS  47  34.753   1.327  -2.331
  344    HA   CYS  47           HA       CYS  47  33.008   1.463  -0.907
  345   1HB   CYS  47          1HB       CYS  47  32.443  -0.806  -1.808
  346   2HB   CYS  47          2HB       CYS  47  33.325  -1.511  -0.458
  347    HG   CYS  47           HG       CYS  47  30.209  -0.602  -0.595
  348    H    GLY  48           H        GLY  48  34.973  -1.083   0.652
  349   1HA   GLY  48          1HA       GLY  48  35.713   0.830   2.743
  350   2HA   GLY  48          2HA       GLY  48  34.820  -0.603   3.232
  351    H    ALA  49           H        ALA  49  36.775  -1.256   0.586
  352    HA   ALA  49           HA       ALA  49  38.828  -2.414   2.353
  353   1HB   ALA  49          1HB       ALA  49  37.863  -3.446  -0.311
  354   2HB   ALA  49          2HB       ALA  49  37.433  -4.105   1.267
  355   3HB   ALA  49          3HB       ALA  49  39.102  -4.186   0.702
  356    H    VAL  50           H        VAL  50  40.953  -2.126   1.862
  357    HA   VAL  50           HA       VAL  50  41.525  -0.308  -0.386
  358    HB   VAL  50           HB       VAL  50  42.975  -0.547   2.259
  359   1HG1  VAL  50          1HG1      VAL  50  44.524  -0.052   0.442
  360   2HG1  VAL  50          2HG1      VAL  50  44.317   1.350   1.494
  361   3HG1  VAL  50          3HG1      VAL  50  43.506   1.294  -0.072
  362   1HG2  VAL  50          1HG2      VAL  50  42.175   1.745   2.638
  363   2HG2  VAL  50          2HG2      VAL  50  40.842   0.601   2.465
  364   3HG2  VAL  50          3HG2      VAL  50  41.268   1.668   1.127
  365    H    ASP  51           H        ASP  51  42.540  -1.296  -1.993
  366    HA   ASP  51           HA       ASP  51  44.551  -3.347  -1.340
  367   1HB   ASP  51          1HB       ASP  51  42.188  -4.165  -2.199
  368   2HB   ASP  51          2HB       ASP  51  42.831  -3.691  -3.768
  369    H    TYR  52           H        TYR  52  45.462  -3.921  -3.878
  370    HA   TYR  52           HA       TYR  52  46.298  -1.275  -4.875
  371   1HB   TYR  52          1HB       TYR  52  48.044  -3.672  -4.316
  372   2HB   TYR  52          2HB       TYR  52  48.564  -2.311  -5.307
  373    HD1  TYR  52           HD1      TYR  52  48.702  -0.029  -4.268
  374    HD2  TYR  52           HD2      TYR  52  48.092  -3.543  -1.951
  375    HE1  TYR  52           HE1      TYR  52  49.387   1.193  -2.249
  376    HE2  TYR  52           HE2      TYR  52  48.775  -2.330   0.075
  377    HH   TYR  52           HH       TYR  52  49.193   1.101   0.105
  378    H    PHE  53           H        PHE  53  46.309  -0.999  -7.010
  379    HA   PHE  53           HA       PHE  53  45.524  -3.329  -8.638
  380   1HB   PHE  53          1HB       PHE  53  43.754  -1.572  -8.163
  381   2HB   PHE  53          2HB       PHE  53  44.714  -0.464  -9.131
  382    HD1  PHE  53           HD1      PHE  53  42.723  -3.554  -9.200
  383    HD2  PHE  53           HD2      PHE  53  44.692  -0.566 -11.504
  384    HE1  PHE  53           HE1      PHE  53  41.592  -4.376 -11.221
  385    HE2  PHE  53           HE2      PHE  53  43.564  -1.384 -13.533
  386    HZ   PHE  53           HZ       PHE  53  42.012  -3.290 -13.390
  387    H    CYS  54           H        CYS  54  46.739  -3.789 -10.336
  388    HA   CYS  54           HA       CYS  54  48.579  -1.749 -11.396
  389   1HB   CYS  54          1HB       CYS  54  49.803  -3.684 -10.661
  390   2HB   CYS  54          2HB       CYS  54  48.690  -4.770 -11.482
  391    H    GLN  55           H        GLN  55  47.456  -0.725 -12.969
  392    HA   GLN  55           HA       GLN  55  45.705  -2.160 -14.726
  393   1HB   GLN  55          1HB       GLN  55  45.541   0.326 -14.024
  394   2HB   GLN  55          2HB       GLN  55  46.750   0.605 -15.271
  395   1HG   GLN  55          1HG       GLN  55  44.179  -0.830 -15.838
  396   2HG   GLN  55          2HG       GLN  55  44.313   0.917 -15.906
  397   1HE2  GLN  55          1HE2      GLN  55  45.487   1.877 -17.545
  398   2HE2  GLN  55          2HE2      GLN  55  45.982   1.007 -18.965
  399    H    HIS  56           H        HIS  56  46.569  -3.560 -15.981
  400    HA   HIS  56           HA       HIS  56  48.093  -3.131 -18.225
  401   1HB   HIS  56          1HB       HIS  56  49.759  -3.017 -15.925
  402   2HB   HIS  56          2HB       HIS  56  50.085  -4.557 -16.711
  403    HD1  HIS  56           HD1      HIS  56  50.037  -3.852 -19.645
  404    HD2  HIS  56           HD2      HIS  56  51.757  -1.401 -16.746
  405    HE1  HIS  56           HE1      HIS  56  51.658  -2.371 -20.873
  406    HE2  HIS  56           HE2      HIS  56  52.801  -1.009 -19.085
  407    H    GLY  57           H        GLY  57  45.941  -4.705 -17.056
  408   1HA   GLY  57          1HA       GLY  57  45.045  -6.800 -17.334
  409   2HA   GLY  57          2HA       GLY  57  46.505  -7.248 -18.202
  410    H    HIS  58           H        HIS  58  46.850  -5.962 -15.018
  411    HA   HIS  58           HA       HIS  58  47.502  -8.666 -14.054
  412   1HB   HIS  58          1HB       HIS  58  48.600  -5.988 -13.159
  413   2HB   HIS  58          2HB       HIS  58  48.964  -7.523 -12.375
  414    HD2  HIS  58           HD2      HIS  58  49.222  -8.966 -15.515
  415    HE1  HIS  58           HE1      HIS  58  52.694  -6.552 -15.616
  416    HE2  HIS  58           HE2      HIS  58  51.484  -8.489 -16.662
  417    H    GLY  59           H        GLY  59  45.791  -5.703 -13.350
  418   1HA   GLY  59          1HA       GLY  59  43.983  -5.328 -12.000
  419   2HA   GLY  59          2HA       GLY  59  43.854  -7.069 -11.808
  420    H    LEU  60           H        LEU  60  43.620  -7.354  -9.693
  421    HA   LEU  60           HA       LEU  60  44.811  -5.701  -7.723
  422   1HB   LEU  60          1HB       LEU  60  43.545  -8.429  -7.501
  423   2HB   LEU  60          2HB       LEU  60  43.999  -7.432  -6.133
  424    HG   LEU  60           HG       LEU  60  41.929  -6.722  -8.212
  425   1HD1  LEU  60          1HD1      LEU  60  41.222  -8.519  -6.711
  426   2HD1  LEU  60          2HD1      LEU  60  40.329  -7.029  -6.406
  427   3HD1  LEU  60          3HD1      LEU  60  41.631  -7.516  -5.320
  428   1HD2  LEU  60          1HD2      LEU  60  42.769  -5.280  -5.699
  429   2HD2  LEU  60          2HD2      LEU  60  41.426  -4.830  -6.751
  430   3HD2  LEU  60          3HD2      LEU  60  43.082  -4.752  -7.353
  431    H    ILE  61           H        ILE  61  46.808  -5.699  -7.023
  432    HA   ILE  61           HA       ILE  61  48.502  -8.061  -7.418
  433    HB   ILE  61           HB       ILE  61  49.221  -5.222  -6.657
  434   1HG1  ILE  61          1HG1      ILE  61  48.599  -5.439  -8.994
  435   2HG1  ILE  61          2HG1      ILE  61  50.339  -5.199  -8.864
  436   1HG2  ILE  61          1HG2      ILE  61  50.743  -6.778  -5.571
  437   2HG2  ILE  61          2HG2      ILE  61  51.563  -5.915  -6.872
  438   3HG2  ILE  61          3HG2      ILE  61  51.043  -7.583  -7.112
  439   1HD1  ILE  61          1HD1      ILE  61  49.793  -6.867 -10.544
  440   2HD1  ILE  61          2HD1      ILE  61  48.953  -7.832  -9.330
  441   3HD1  ILE  61          3HD1      ILE  61  50.695  -7.586  -9.210
  442    H    SER  62           H        SER  62  49.119  -9.300  -5.753
  443    HA   SER  62           HA       SER  62  47.892  -9.199  -3.269
  444   1HB   SER  62          1HB       SER  62  50.587 -10.450  -3.808
  445   2HB   SER  62          2HB       SER  62  49.369 -10.969  -2.644
  446    HG   SER  62           HG       SER  62  48.023 -11.132  -4.732
  447    H    LYS  63           H        LYS  63  48.275  -8.094  -1.439
  448    HA   LYS  63           HA       LYS  63  49.938  -5.818  -1.551
  449   1HB   LYS  63          1HB       LYS  63  48.613  -7.011   0.894
  450   2HB   LYS  63          2HB       LYS  63  49.169  -5.352   0.706
  451   1HG   LYS  63          1HG       LYS  63  47.525  -5.051  -1.121
  452   2HG   LYS  63          2HG       LYS  63  46.927  -6.679  -0.808
  453   1HD   LYS  63          1HD       LYS  63  45.451  -5.220   0.323
  454   2HD   LYS  63          2HD       LYS  63  46.489  -5.911   1.570
  455   1HE   LYS  63          1HE       LYS  63  47.808  -3.917   1.670
  456   2HE   LYS  63          2HE       LYS  63  46.985  -3.241   0.264
  457   1HZ   LYS  63          1HZ       LYS  63  44.917  -3.226   1.585
  458   2HZ   LYS  63          2HZ       LYS  63  46.128  -2.240   2.249
  459   3HZ   LYS  63          3HZ       LYS  63  45.794  -3.752   2.942
  460    H    LYS  64           H        LYS  64  50.507  -9.038  -0.433
  461    HA   LYS  64           HA       LYS  64  52.870  -8.308   1.088
  462   1HB   LYS  64          1HB       LYS  64  51.864 -11.029   0.240
  463   2HB   LYS  64          2HB       LYS  64  53.167 -10.727   1.380
  464   1HG   LYS  64          1HG       LYS  64  51.566  -9.610   2.876
  465   2HG   LYS  64          2HG       LYS  64  50.269 -10.001   1.742
  466   1HD   LYS  64          1HD       LYS  64  50.266 -11.651   3.479
  467   2HD   LYS  64          2HD       LYS  64  50.858 -12.407   1.999
  468   1HE   LYS  64          1HE       LYS  64  52.240 -13.136   3.810
  469   2HE   LYS  64          2HE       LYS  64  53.183 -12.027   2.815
  470   1HZ   LYS  64          1HZ       LYS  64  53.494 -11.570   5.160
  471   2HZ   LYS  64          2HZ       LYS  64  51.826 -11.353   5.371
  472   3HZ   LYS  64          3HZ       LYS  64  52.708 -10.260   4.416
  473    H    ARG  65           H        ARG  65  52.192  -8.498  -2.120
  474    HA   ARG  65           HA       ARG  65  54.906  -9.410  -2.826
  475   1HB   ARG  65          1HB       ARG  65  52.316  -9.578  -4.365
  476   2HB   ARG  65          2HB       ARG  65  53.886  -9.859  -5.104
  477   1HG   ARG  65          1HG       ARG  65  54.274 -11.776  -3.777
  478   2HG   ARG  65          2HG       ARG  65  52.912 -11.403  -2.719
  479   1HD   ARG  65          1HD       ARG  65  52.418 -13.222  -4.305
  480   2HD   ARG  65          2HD       ARG  65  51.348 -11.837  -4.502
  481    HE   ARG  65           HE       ARG  65  53.680 -11.954  -6.248
  482   1HH1  ARG  65          1HH1      ARG  65  50.232 -12.419  -5.828
  483   2HH1  ARG  65          2HH1      ARG  65  49.906 -12.551  -7.527
  484   1HH2  ARG  65          1HH2      ARG  65  53.258 -12.109  -8.499
  485   2HH2  ARG  65          2HH2      ARG  65  51.622 -12.355  -9.050
  486    H    VAL  66           H        VAL  66  53.298  -6.708  -2.297
  487    HA   VAL  66           HA       VAL  66  53.813  -5.194  -4.671
  488    HB   VAL  66           HB       VAL  66  53.201  -4.275  -1.854
  489   1HG1  VAL  66          1HG1      VAL  66  54.352  -2.523  -3.063
  490   2HG1  VAL  66          2HG1      VAL  66  52.645  -2.112  -2.890
  491   3HG1  VAL  66          3HG1      VAL  66  53.257  -2.713  -4.432
  492   1HG2  VAL  66          1HG2      VAL  66  51.387  -5.554  -2.848
  493   2HG2  VAL  66          2HG2      VAL  66  51.437  -4.533  -4.286
  494   3HG2  VAL  66          3HG2      VAL  66  50.952  -3.849  -2.735
  495    H    GLU  67           H        GLU  67  55.574  -3.989  -5.190
  496    HA   GLU  67           HA       GLU  67  57.926  -4.268  -3.507
  497   1HB   GLU  67          1HB       GLU  67  58.057  -4.596  -5.978
  498   2HB   GLU  67          2HB       GLU  67  57.642  -2.901  -6.192
  499   1HG   GLU  67          1HG       GLU  67  59.670  -2.214  -5.096
  500   2HG   GLU  67          2HG       GLU  67  60.068  -3.890  -4.712
  501    H    PHE  68           H        PHE  68  57.889  -2.931  -1.820
  502    HA   PHE  68           HA       PHE  68  56.848  -0.229  -2.111
  503   1HB   PHE  68          1HB       PHE  68  57.755  -1.791   0.312
  504   2HB   PHE  68          2HB       PHE  68  57.209  -0.121   0.375
  505    HD1  PHE  68           HD1      PHE  68  56.231  -3.565   0.339
  506    HD2  PHE  68           HD2      PHE  68  54.849   0.402  -0.331
  507    HE1  PHE  68           HE1      PHE  68  53.910  -4.338   0.591
  508    HE2  PHE  68           HE2      PHE  68  52.522  -0.363  -0.081
  509    HZ   PHE  68           HZ       PHE  68  52.052  -2.736   0.384
  510    H    VAL  69           H        VAL  69  58.230   1.204  -2.910
  511    HA   VAL  69           HA       VAL  69  60.973   1.238  -1.845
  512    HB   VAL  69           HB       VAL  69  61.504   2.825  -3.656
  513   1HG1  VAL  69          1HG1      VAL  69  60.191   0.297  -4.650
  514   2HG1  VAL  69          2HG1      VAL  69  61.832   0.428  -4.017
  515   3HG1  VAL  69          3HG1      VAL  69  61.397   1.249  -5.516
  516   1HG2  VAL  69          1HG2      VAL  69  59.895   3.208  -5.471
  517   2HG2  VAL  69          2HG2      VAL  69  59.325   3.861  -3.934
  518   3HG2  VAL  69          3HG2      VAL  69  58.663   2.347  -4.549
  519    H    LEU  70           H        LEU  70  61.664   3.832  -1.950
  520    HA   LEU  70           HA       LEU  70  59.997   4.997   0.115
  521   1HB   LEU  70          1HB       LEU  70  62.670   5.685  -1.062
  522   2HB   LEU  70          2HB       LEU  70  61.808   6.862  -0.093
  523    HG   LEU  70           HG       LEU  70  63.452   5.698   1.257
  524   1HD1  LEU  70          1HD1      LEU  70  60.637   4.882   1.942
  525   2HD1  LEU  70          2HD1      LEU  70  61.413   6.413   2.348
  526   3HD1  LEU  70          3HD1      LEU  70  62.001   4.910   3.058
  527   1HD2  LEU  70          1HD2      LEU  70  63.589   3.610   0.021
  528   2HD2  LEU  70          2HD2      LEU  70  61.959   3.180   0.540
  529   3HD2  LEU  70          3HD2      LEU  70  63.258   3.304   1.726
  530    H    ALA  71           H        ALA  71  58.866   6.919  -0.043
  531    HA   ALA  71           HA       ALA  71  57.769   7.570  -2.565
  532   1HB   ALA  71          1HB       ALA  71  56.621   9.372  -1.418
  533   2HB   ALA  71          2HB       ALA  71  57.686   9.191  -0.024
  534   3HB   ALA  71          3HB       ALA  71  56.564   7.900  -0.449
  Start of MODEL   10
    1    H    MET   1           H        MET   1  62.663  -8.037  13.654
    2    HA   MET   1           HA       MET   1  64.684  -7.376  12.555
    3   1HB   MET   1          1HB       MET   1  64.502  -8.961  10.661
    4   2HB   MET   1          2HB       MET   1  63.165  -8.025  10.015
    5   1HG   MET   1          1HG       MET   1  64.643  -6.106   9.712
    6   2HG   MET   1          2HG       MET   1  65.988  -7.039  10.368
    7   1HE   MET   1          1HE       MET   1  66.944  -6.797   6.587
    8   2HE   MET   1          2HE       MET   1  67.472  -6.526   8.249
    9   3HE   MET   1          3HE       MET   1  66.168  -5.553   7.566
   10    H    GLU   2           H        GLU   2  64.595  -5.290  13.017
   11    HA   GLU   2           HA       GLU   2  62.194  -3.766  12.418
   12   1HB   GLU   2          1HB       GLU   2  64.699  -2.994  13.931
   13   2HB   GLU   2          2HB       GLU   2  63.286  -1.970  13.741
   14   1HG   GLU   2          1HG       GLU   2  63.059  -2.868  15.870
   15   2HG   GLU   2          2HG       GLU   2  61.987  -3.852  14.875
   16    H    LEU   3           H        LEU   3  62.069  -2.152  10.940
   17    HA   LEU   3           HA       LEU   3  64.127  -2.010   8.941
   18   1HB   LEU   3          1HB       LEU   3  61.555  -0.454   9.271
   19   2HB   LEU   3          2HB       LEU   3  62.626  -0.299   7.894
   20    HG   LEU   3           HG       LEU   3  62.236  -2.823   7.556
   21   1HD1  LEU   3          1HD1      LEU   3  59.874  -2.175   9.310
   22   2HD1  LEU   3          2HD1      LEU   3  61.194  -3.269   9.717
   23   3HD1  LEU   3          3HD1      LEU   3  60.103  -3.660   8.387
   24   1HD2  LEU   3          1HD2      LEU   3  60.198  -2.382   6.282
   25   2HD2  LEU   3          2HD2      LEU   3  61.385  -1.097   6.067
   26   3HD2  LEU   3          3HD2      LEU   3  59.998  -0.849   7.130
   27    H    HIS   4           H        HIS   4  65.299  -0.099   8.369
   28    HA   HIS   4           HA       HIS   4  65.602   1.779  10.620
   29   1HB   HIS   4          1HB       HIS   4  67.713   0.792   8.687
   30   2HB   HIS   4          2HB       HIS   4  67.961   2.087   9.846
   31    HD1  HIS   4           HD1      HIS   4  69.938   0.493  10.705
   32    HD2  HIS   4           HD2      HIS   4  66.062  -0.871  11.380
   33    HE1  HIS   4           HE1      HIS   4  70.142  -1.332  12.428
   34    HE2  HIS   4           HE2      HIS   4  67.815  -2.274  12.670
   35    H    CYS   5           H        CYS   5  65.703   3.955  10.150
   36    HA   CYS   5           HA       CYS   5  64.755   4.840   7.600
   37   1HB   CYS   5          1HB       CYS   5  66.089   6.705   9.527
   38   2HB   CYS   5          2HB       CYS   5  64.669   6.972   8.525
   39    HA   PRO   6           HA       PRO   6  68.758   5.206   5.635
   40   1HB   PRO   6          1HB       PRO   6  68.109   6.990   3.680
   41   2HB   PRO   6          2HB       PRO   6  67.689   5.276   3.606
   42   1HG   PRO   6          1HG       PRO   6  65.995   7.614   4.381
   43   2HG   PRO   6          2HG       PRO   6  65.571   6.196   3.405
   44   1HD   PRO   6          1HD       PRO   6  64.872   6.461   6.017
   45   2HD   PRO   6          2HD       PRO   6  65.182   4.887   5.257
   46    H    GLN   7           H        GLN   7  66.930   8.186   6.250
   47    HA   GLN   7           HA       GLN   7  69.393   9.720   6.496
   48   1HB   GLN   7          1HB       GLN   7  67.502  10.682   5.252
   49   2HB   GLN   7          2HB       GLN   7  66.497  10.581   6.689
   50   1HG   GLN   7          1HG       GLN   7  68.005  12.160   7.823
   51   2HG   GLN   7          2HG       GLN   7  68.948  12.295   6.340
   52   1HE2  GLN   7          1HE2      GLN   7  67.453  14.318   7.845
   53   2HE2  GLN   7          2HE2      GLN   7  66.326  15.008   6.719
   54    H    CYS   8           H        CYS   8  66.424   9.597   8.454
   55    HA   CYS   8           HA       CYS   8  67.924  10.177  10.855
   56   1HB   CYS   8          1HB       CYS   8  65.661  10.149  11.921
   57   2HB   CYS   8          2HB       CYS   8  65.789  11.274  10.573
   58    H    GLN   9           H        GLN   9  69.030   8.011  10.185
   59    HA   GLN   9           HA       GLN   9  67.847   5.546  10.243
   60   1HB   GLN   9          1HB       GLN   9  70.131   4.675  10.915
   61   2HB   GLN   9          2HB       GLN   9  70.039   5.647   9.456
   62   1HG   GLN   9          1HG       GLN   9  70.859   7.586  10.714
   63   2HG   GLN   9          2HG       GLN   9  70.985   6.578  12.157
   64   1HE2  GLN   9          1HE2      GLN   9  72.276   7.233   8.996
   65   2HE2  GLN   9          2HE2      GLN   9  73.749   6.353   9.198
   66    H    HIS  10           H        HIS  10  66.414   5.045  11.702
   67    HA   HIS  10           HA       HIS  10  67.363   3.971  14.187
   68   1HB   HIS  10          1HB       HIS  10  65.478   6.318  14.121
   69   2HB   HIS  10          2HB       HIS  10  65.317   5.105  15.383
   70    HD1  HIS  10           HD1      HIS  10  67.101   8.179  14.587
   71    HD2  HIS  10           HD2      HIS  10  67.802   4.830  16.958
   72    HE1  HIS  10           HE1      HIS  10  68.875   8.861  16.225
   73    HE2  HIS  10           HE2      HIS  10  69.451   6.757  17.480
   74    H    VAL  11           H        VAL  11  64.958   3.243  15.320
   75    HA   VAL  11           HA       VAL  11  64.170   1.161  13.568
   76    HB   VAL  11           HB       VAL  11  62.904   2.061  16.157
   77   1HG1  VAL  11          1HG1      VAL  11  61.344   0.738  14.832
   78   2HG1  VAL  11          2HG1      VAL  11  61.904  -0.172  16.235
   79   3HG1  VAL  11          3HG1      VAL  11  62.562  -0.523  14.638
   80   1HG2  VAL  11          1HG2      VAL  11  64.911  -0.116  15.584
   81   2HG2  VAL  11          2HG2      VAL  11  64.161   0.206  17.148
   82   3HG2  VAL  11          3HG2      VAL  11  65.231   1.405  16.421
   83    H    LEU  12           H        LEU  12  62.638   1.042  12.111
   84    HA   LEU  12           HA       LEU  12  60.500   3.073  12.028
   85   1HB   LEU  12          1HB       LEU  12  61.959   1.513   9.951
   86   2HB   LEU  12          2HB       LEU  12  60.279   1.900   9.648
   87    HG   LEU  12           HG       LEU  12  62.349   3.995  10.292
   88   1HD1  LEU  12          1HD1      LEU  12  62.397   4.446   7.883
   89   2HD1  LEU  12          2HD1      LEU  12  61.381   3.032   7.602
   90   3HD1  LEU  12          3HD1      LEU  12  63.007   2.834   8.255
   91   1HD2  LEU  12          1HD2      LEU  12  59.606   4.125   9.039
   92   2HD2  LEU  12          2HD2      LEU  12  60.691   5.492   9.297
   93   3HD2  LEU  12          3HD2      LEU  12  60.021   4.626  10.679
   94    H    ASP  13           H        ASP  13  58.395   2.418  12.243
   95    HA   ASP  13           HA       ASP  13  57.907  -0.487  12.321
   96   1HB   ASP  13          1HB       ASP  13  57.363   0.893  14.387
   97   2HB   ASP  13          2HB       ASP  13  56.087   1.648  13.440
   98    H    GLN  14           H        GLN  14  57.301  -1.103  10.377
   99    HA   GLN  14           HA       GLN  14  55.632   0.603   8.706
  100   1HB   GLN  14          1HB       GLN  14  57.686  -0.631   7.874
  101   2HB   GLN  14          2HB       GLN  14  56.780  -2.119   8.078
  102   1HG   GLN  14          1HG       GLN  14  55.192  -1.453   6.415
  103   2HG   GLN  14          2HG       GLN  14  55.934   0.148   6.293
  104   1HE2  GLN  14          1HE2      GLN  14  57.952   0.355   5.304
  105   2HE2  GLN  14          2HE2      GLN  14  58.597  -0.876   4.272
  106    H    ASP  15           H        ASP  15  53.523   0.502   9.254
  107    HA   ASP  15           HA       ASP  15  52.483  -2.057  10.232
  108   1HB   ASP  15          1HB       ASP  15  52.278  -0.073  11.715
  109   2HB   ASP  15          2HB       ASP  15  51.235   0.679  10.511
  110    H    ASN  16           H        ASN  16  50.587   0.585   8.844
  111    HA   ASN  16           HA       ASN  16  49.631  -1.311   6.799
  112   1HB   ASN  16          1HB       ASN  16  48.007  -1.115   8.663
  113   2HB   ASN  16          2HB       ASN  16  47.923   0.621   8.389
  114   1HD2  ASN  16          1HD2      ASN  16  46.791   1.401   6.626
  115   2HD2  ASN  16          2HD2      ASN  16  45.728   0.410   5.690
  116    H    GLY  17           H        GLY  17  51.013  -0.322   5.295
  117   1HA   GLY  17          1HA       GLY  17  51.101   0.988   3.380
  118   2HA   GLY  17          2HA       GLY  17  49.773   1.948   4.006
  119    H    HIS  18           H        HIS  18  51.072   2.550   6.536
  120    HA   HIS  18           HA       HIS  18  53.029   4.507   5.513
  121   1HB   HIS  18          1HB       HIS  18  51.271   4.772   7.966
  122   2HB   HIS  18          2HB       HIS  18  52.338   6.003   7.304
  123    HD1  HIS  18           HD1      HIS  18  51.503   7.327   5.246
  124    HD2  HIS  18           HD2      HIS  18  48.833   4.441   6.619
  125    HE1  HIS  18           HE1      HIS  18  49.321   7.802   4.084
  126    HE2  HIS  18           HE2      HIS  18  47.672   6.199   5.119
  127    H    ALA  19           H        ALA  19  54.991   4.677   6.519
  128    HA   ALA  19           HA       ALA  19  55.476   2.800   8.740
  129   1HB   ALA  19          1HB       ALA  19  56.745   2.246   6.732
  130   2HB   ALA  19          2HB       ALA  19  57.821   2.776   8.028
  131   3HB   ALA  19          3HB       ALA  19  57.427   3.873   6.705
  132    H    ARG  20           H        ARG  20  55.531   3.848  10.637
  133    HA   ARG  20           HA       ARG  20  56.740   6.521  10.638
  134   1HB   ARG  20          1HB       ARG  20  54.418   6.463  11.475
  135   2HB   ARG  20          2HB       ARG  20  54.911   5.326  12.727
  136   1HG   ARG  20          1HG       ARG  20  56.360   6.966  13.720
  137   2HG   ARG  20          2HG       ARG  20  56.048   8.095  12.405
  138   1HD   ARG  20          1HD       ARG  20  53.706   8.236  13.079
  139   2HD   ARG  20          2HD       ARG  20  54.010   7.087  14.385
  140    HE   ARG  20           HE       ARG  20  55.805   9.234  14.636
  141   1HH1  ARG  20          1HH1      ARG  20  52.356   8.648  14.883
  142   2HH1  ARG  20          2HH1      ARG  20  52.126   9.840  16.134
  143   1HH2  ARG  20          1HH2      ARG  20  55.479  10.819  16.268
  144   2HH2  ARG  20          2HH2      ARG  20  53.880  11.060  16.903
  145    H    CYS  21           H        CYS  21  58.496   6.914  11.719
  146    HA   CYS  21           HA       CYS  21  60.175   4.897  12.702
  147   1HB   CYS  21          1HB       CYS  21  60.295   7.805  13.491
  148   2HB   CYS  21          2HB       CYS  21  61.629   6.668  13.357
  149    H    ARG  22           H        ARG  22  60.512   4.093  14.734
  150    HA   ARG  22           HA       ARG  22  58.587   4.813  16.792
  151   1HB   ARG  22          1HB       ARG  22  60.765   2.716  16.743
  152   2HB   ARG  22          2HB       ARG  22  59.647   2.954  18.075
  153   1HG   ARG  22          1HG       ARG  22  58.960   2.085  15.275
  154   2HG   ARG  22          2HG       ARG  22  58.917   1.100  16.738
  155   1HD   ARG  22          1HD       ARG  22  57.166   3.458  16.063
  156   2HD   ARG  22          2HD       ARG  22  56.676   1.769  16.193
  157    HE   ARG  22           HE       ARG  22  57.809   2.918  18.602
  158   1HH1  ARG  22          1HH1      ARG  22  54.927   2.117  16.799
  159   2HH1  ARG  22          2HH1      ARG  22  53.861   2.300  18.157
  160   1HH2  ARG  22          1HH2      ARG  22  56.421   3.214  20.393
  161   2HH2  ARG  22          2HH2      ARG  22  54.706   2.947  20.205
  162    H    SER  23           H        SER  23  62.107   4.403  16.674
  163    HA   SER  23           HA       SER  23  62.609   5.614  19.147
  164   1HB   SER  23          1HB       SER  23  64.682   5.637  17.001
  165   2HB   SER  23          2HB       SER  23  64.819   5.163  18.695
  166    HG   SER  23           HG       SER  23  63.917   3.213  18.251
  167    H    CYS  24           H        CYS  24  62.892   6.924  15.840
  168    HA   CYS  24           HA       CYS  24  63.642   9.501  16.926
  169   1HB   CYS  24          1HB       CYS  24  63.686  10.039  14.352
  170   2HB   CYS  24          2HB       CYS  24  64.978   9.114  15.110
  171    H    GLY  25           H        GLY  25  60.876   8.070  15.225
  172   1HA   GLY  25          1HA       GLY  25  58.711   8.704  16.020
  173   2HA   GLY  25          2HA       GLY  25  59.337  10.307  16.340
  174    H    GLU  26           H        GLU  26  60.580  10.088  13.457
  175    HA   GLU  26           HA       GLU  26  58.631  11.689  12.219
  176   1HB   GLU  26          1HB       GLU  26  60.700  10.078  10.723
  177   2HB   GLU  26          2HB       GLU  26  59.915  11.556  10.198
  178   1HG   GLU  26          1HG       GLU  26  61.986  12.305  10.807
  179   2HG   GLU  26          2HG       GLU  26  61.057  12.595  12.278
  180    H    PHE  27           H        PHE  27  57.373  11.255  10.285
  181    HA   PHE  27           HA       PHE  27  56.621   8.423  10.021
  182   1HB   PHE  27          1HB       PHE  27  54.404   9.268   9.191
  183   2HB   PHE  27          2HB       PHE  27  54.725   9.606  10.885
  184    HD1  PHE  27           HD1      PHE  27  55.267  11.902  11.605
  185    HD2  PHE  27           HD2      PHE  27  54.119  11.013   7.605
  186    HE1  PHE  27           HE1      PHE  27  54.787  14.283  11.218
  187    HE2  PHE  27           HE2      PHE  27  53.641  13.392   7.211
  188    HZ   PHE  27           HZ       PHE  27  53.975  15.030   9.017
  189    H    ILE  28           H        ILE  28  56.842   7.494   8.088
  190    HA   ILE  28           HA       ILE  28  57.685   9.233   5.861
  191    HB   ILE  28           HB       ILE  28  58.547   6.382   6.405
  192   1HG1  ILE  28          1HG1      ILE  28  60.097   8.970   6.693
  193   2HG1  ILE  28          2HG1      ILE  28  59.508   7.982   8.025
  194   1HG2  ILE  28          1HG2      ILE  28  59.440   8.353   4.298
  195   2HG2  ILE  28          2HG2      ILE  28  58.496   6.887   4.032
  196   3HG2  ILE  28          3HG2      ILE  28  60.165   6.772   4.590
  197   1HD1  ILE  28          1HD1      ILE  28  61.881   7.634   7.633
  198   2HD1  ILE  28          2HD1      ILE  28  61.546   7.141   5.974
  199   3HD1  ILE  28          3HD1      ILE  28  60.965   6.160   7.319
  200    H    GLU  29           H        GLU  29  56.512   9.141   4.058
  201    HA   GLU  29           HA       GLU  29  54.411   7.150   3.801
  202   1HB   GLU  29          1HB       GLU  29  55.169   9.416   1.941
  203   2HB   GLU  29          2HB       GLU  29  53.700   8.454   1.863
  204   1HG   GLU  29          1HG       GLU  29  54.446  10.201   4.195
  205   2HG   GLU  29          2HG       GLU  29  53.412  10.710   2.861
  206    H    MET  30           H        MET  30  54.323   5.615   2.117
  207    HA   MET  30           HA       MET  30  56.838   5.292   0.638
  208   1HB   MET  30          1HB       MET  30  55.270   3.073   1.962
  209   2HB   MET  30          2HB       MET  30  56.697   2.859   0.953
  210   1HG   MET  30          1HG       MET  30  57.924   4.324   2.604
  211   2HG   MET  30          2HG       MET  30  56.521   4.161   3.655
  212   1HE   MET  30          1HE       MET  30  59.591   2.409   2.011
  213   2HE   MET  30          2HE       MET  30  58.249   1.578   1.225
  214   3HE   MET  30          3HE       MET  30  59.283   0.708   2.357
  215    H    LYS  31           H        LYS  31  56.710   4.231  -1.354
  216    HA   LYS  31           HA       LYS  31  54.062   4.516  -2.610
  217   1HB   LYS  31          1HB       LYS  31  55.907   6.064  -3.326
  218   2HB   LYS  31          2HB       LYS  31  56.791   4.661  -3.906
  219   1HG   LYS  31          1HG       LYS  31  55.011   4.195  -5.506
  220   2HG   LYS  31          2HG       LYS  31  54.111   5.593  -4.913
  221   1HD   LYS  31          1HD       LYS  31  56.837   5.653  -6.203
  222   2HD   LYS  31          2HD       LYS  31  55.322   6.135  -6.965
  223   1HE   LYS  31          1HE       LYS  31  55.059   7.894  -5.247
  224   2HE   LYS  31          2HE       LYS  31  56.620   7.437  -4.568
  225   1HZ   LYS  31          1HZ       LYS  31  56.863   9.336  -6.011
  226   2HZ   LYS  31          2HZ       LYS  31  56.140   8.502  -7.299
  227   3HZ   LYS  31          3HZ       LYS  31  57.645   7.997  -6.708
  228    H    ALA  32           H        ALA  32  53.169   2.789  -3.590
  229    HA   ALA  32           HA       ALA  32  54.591   0.252  -3.400
  230   1HB   ALA  32          1HB       ALA  32  52.418  -0.782  -3.776
  231   2HB   ALA  32          2HB       ALA  32  51.701   0.803  -4.070
  232   3HB   ALA  32          3HB       ALA  32  52.329   0.404  -2.472
  233    H    LEU  33           H        LEU  33  55.634  -0.544  -5.080
  234    HA   LEU  33           HA       LEU  33  54.741   0.188  -7.795
  235   1HB   LEU  33          1HB       LEU  33  57.477  -0.730  -6.901
  236   2HB   LEU  33          2HB       LEU  33  57.026  -0.263  -8.528
  237    HG   LEU  33           HG       LEU  33  57.129   1.571  -6.130
  238   1HD1  LEU  33          1HD1      LEU  33  59.013   2.597  -7.310
  239   2HD1  LEU  33          2HD1      LEU  33  58.893   1.366  -8.567
  240   3HD1  LEU  33          3HD1      LEU  33  59.334   0.906  -6.923
  241   1HD2  LEU  33          1HD2      LEU  33  56.727   3.360  -7.763
  242   2HD2  LEU  33          2HD2      LEU  33  55.368   2.238  -7.672
  243   3HD2  LEU  33          3HD2      LEU  33  56.497   2.148  -9.024
  244    H    CYS  34           H        CYS  34  54.339  -1.396  -9.256
  245    HA   CYS  34           HA       CYS  34  53.930  -4.078  -8.302
  246   1HB   CYS  34          1HB       CYS  34  52.446  -2.921  -9.957
  247   2HB   CYS  34          2HB       CYS  34  53.760  -2.969 -11.121
  248    HA   PRO  35           HA       PRO  35  58.195  -5.218  -8.729
  249   1HB   PRO  35          1HB       PRO  35  57.016  -7.929  -9.130
  250   2HB   PRO  35          2HB       PRO  35  58.305  -7.411  -8.036
  251   1HG   PRO  35          1HG       PRO  35  55.865  -7.875  -7.104
  252   2HG   PRO  35          2HG       PRO  35  56.813  -6.502  -6.503
  253   1HD   PRO  35          1HD       PRO  35  54.510  -6.531  -8.397
  254   2HD   PRO  35          2HD       PRO  35  54.941  -5.331  -7.167
  255    H    ASP  36           H        ASP  36  55.918  -6.743 -10.989
  256    HA   ASP  36           HA       ASP  36  57.821  -7.508 -12.912
  257   1HB   ASP  36          1HB       ASP  36  55.682  -7.465 -14.435
  258   2HB   ASP  36          2HB       ASP  36  55.830  -8.647 -13.139
  259    H    CYS  37           H        CYS  37  55.349  -4.999 -13.459
  260    HA   CYS  37           HA       CYS  37  56.871  -3.853 -15.588
  261   1HB   CYS  37          1HB       CYS  37  54.986  -2.055 -15.371
  262   2HB   CYS  37          2HB       CYS  37  54.594  -3.667 -15.956
  263    H    HIS  38           H        HIS  38  56.863  -3.441 -12.256
  264    HA   HIS  38           HA       HIS  38  57.973  -2.129 -10.812
  265   1HB   HIS  38          1HB       HIS  38  59.684  -2.394 -12.963
  266   2HB   HIS  38          2HB       HIS  38  59.647  -0.654 -12.684
  267    HD1  HIS  38           HD1      HIS  38  61.620  -3.364 -11.795
  268    HD2  HIS  38           HD2      HIS  38  59.846  -0.336  -9.571
  269    HE1  HIS  38           HE1      HIS  38  62.889  -3.285  -9.629
  270    HE2  HIS  38           HE2      HIS  38  61.564  -1.693  -8.190
  271    H    GLN  39           H        GLN  39  55.667  -1.081 -12.504
  272    HA   GLN  39           HA       GLN  39  56.047   1.769 -11.929
  273   1HB   GLN  39          1HB       GLN  39  54.172   0.307 -13.780
  274   2HB   GLN  39          2HB       GLN  39  53.915   1.990 -13.335
  275   1HG   GLN  39          1HG       GLN  39  56.037   2.618 -14.285
  276   2HG   GLN  39          2HG       GLN  39  56.422   0.932 -14.621
  277   1HE2  GLN  39          1HE2      GLN  39  56.703   1.403 -16.810
  278   2HE2  GLN  39          2HE2      GLN  39  55.348   1.672 -17.860
  279    HA   PRO  40           HA       PRO  40  53.523   1.808  -8.414
  280   1HB   PRO  40          1HB       PRO  40  51.791   3.903  -8.862
  281   2HB   PRO  40          2HB       PRO  40  53.471   4.081  -8.347
  282   1HG   PRO  40          1HG       PRO  40  52.293   4.302 -11.086
  283   2HG   PRO  40          2HG       PRO  40  53.535   5.307 -10.316
  284   1HD   PRO  40          1HD       PRO  40  54.178   3.417 -12.101
  285   2HD   PRO  40          2HD       PRO  40  55.210   3.744 -10.693
  286    H    LEU  41           H        LEU  41  51.527   1.326  -7.481
  287    HA   LEU  41           HA       LEU  41  49.647   0.033  -9.314
  288   1HB   LEU  41          1HB       LEU  41  50.080  -0.239  -6.345
  289   2HB   LEU  41          2HB       LEU  41  48.765  -1.018  -7.204
  290    HG   LEU  41           HG       LEU  41  51.702  -1.504  -7.718
  291   1HD1  LEU  41          1HD1      LEU  41  49.643  -3.220  -6.340
  292   2HD1  LEU  41          2HD1      LEU  41  50.965  -2.361  -5.548
  293   3HD1  LEU  41          3HD1      LEU  41  51.315  -3.668  -6.681
  294   1HD2  LEU  41          1HD2      LEU  41  50.384  -1.818  -9.716
  295   2HD2  LEU  41          2HD2      LEU  41  49.219  -2.801  -8.829
  296   3HD2  LEU  41          3HD2      LEU  41  50.863  -3.388  -9.072
  297    H    GLN  42           H        GLN  42  47.432   0.344  -9.155
  298    HA   GLN  42           HA       GLN  42  46.591   2.981  -8.361
  299   1HB   GLN  42          1HB       GLN  42  45.679   2.086 -10.396
  300   2HB   GLN  42          2HB       GLN  42  45.169   0.613  -9.590
  301   1HG   GLN  42          1HG       GLN  42  43.266   2.008 -10.060
  302   2HG   GLN  42          2HG       GLN  42  43.510   1.888  -8.321
  303   1HE2  GLN  42          1HE2      GLN  42  42.321   3.756  -7.973
  304   2HE2  GLN  42          2HE2      GLN  42  42.948   5.328  -8.331
  305    H    VAL  43           H        VAL  43  46.147   3.406  -6.303
  306    HA   VAL  43           HA       VAL  43  45.562   1.360  -4.396
  307    HB   VAL  43           HB       VAL  43  45.311   4.353  -4.053
  308   1HG1  VAL  43          1HG1      VAL  43  44.165   3.074  -2.325
  309   2HG1  VAL  43          2HG1      VAL  43  45.593   3.877  -1.671
  310   3HG1  VAL  43          3HG1      VAL  43  45.637   2.150  -2.022
  311   1HG2  VAL  43          1HG2      VAL  43  47.554   3.788  -4.794
  312   2HG2  VAL  43          2HG2      VAL  43  47.680   2.556  -3.538
  313   3HG2  VAL  43          3HG2      VAL  43  47.573   4.261  -3.096
  314    H    LEU  44           H        LEU  44  43.659   0.383  -4.385
  315    HA   LEU  44           HA       LEU  44  41.290   1.750  -5.348
  316   1HB   LEU  44          1HB       LEU  44  41.623  -1.059  -4.289
  317   2HB   LEU  44          2HB       LEU  44  40.185  -0.423  -5.060
  318    HG   LEU  44           HG       LEU  44  42.866  -0.813  -6.394
  319   1HD1  LEU  44          1HD1      LEU  44  41.785  -2.920  -5.926
  320   2HD1  LEU  44          2HD1      LEU  44  41.677  -2.571  -7.650
  321   3HD1  LEU  44          3HD1      LEU  44  40.273  -2.333  -6.614
  322   1HD2  LEU  44          1HD2      LEU  44  41.639   1.091  -7.317
  323   2HD2  LEU  44          2HD2      LEU  44  40.218   0.070  -7.540
  324   3HD2  LEU  44          3HD2      LEU  44  41.691  -0.254  -8.457
  325    H    LYS  45           H        LYS  45  40.893   3.293  -3.746
  326    HA   LYS  45           HA       LYS  45  40.354   2.403  -1.044
  327   1HB   LYS  45          1HB       LYS  45  41.313   4.645  -1.425
  328   2HB   LYS  45          2HB       LYS  45  39.888   5.098  -2.348
  329   1HG   LYS  45          1HG       LYS  45  38.513   4.769  -0.316
  330   2HG   LYS  45          2HG       LYS  45  39.991   4.438   0.590
  331   1HD   LYS  45          1HD       LYS  45  39.516   6.985  -0.947
  332   2HD   LYS  45          2HD       LYS  45  39.119   6.796   0.761
  333   1HE   LYS  45          1HE       LYS  45  41.870   6.263  -0.325
  334   2HE   LYS  45          2HE       LYS  45  41.358   7.866   0.190
  335   1HZ   LYS  45          1HZ       LYS  45  40.945   7.016   2.395
  336   2HZ   LYS  45          2HZ       LYS  45  42.537   6.663   1.937
  337   3HZ   LYS  45          3HZ       LYS  45  41.362   5.444   1.919
  338    H    ALA  46           H        ALA  46  38.722   0.903  -1.336
  339    HA   ALA  46           HA       ALA  46  36.248   1.803  -2.625
  340   1HB   ALA  46          1HB       ALA  46  37.210  -0.323  -3.382
  341   2HB   ALA  46          2HB       ALA  46  35.619  -0.546  -2.656
  342   3HB   ALA  46          3HB       ALA  46  37.070  -0.964  -1.744
  343    H    CYS  47           H        CYS  47  34.383   0.240  -1.390
  344    HA   CYS  47           HA       CYS  47  33.932   1.756   0.997
  345   1HB   CYS  47          1HB       CYS  47  32.327  -0.537  -0.146
  346   2HB   CYS  47          2HB       CYS  47  31.785   0.598   1.086
  347    HG   CYS  47           HG       CYS  47  32.593   1.492  -2.121
  348    H    GLY  48           H        GLY  48  35.643   1.110   2.365
  349   1HA   GLY  48          1HA       GLY  48  36.029   0.031   4.416
  350   2HA   GLY  48          2HA       GLY  48  34.926  -1.246   3.930
  351    H    ALA  49           H        ALA  49  36.753  -0.907   1.305
  352    HA   ALA  49           HA       ALA  49  38.845  -2.734   2.281
  353   1HB   ALA  49          1HB       ALA  49  37.294  -3.008  -0.295
  354   2HB   ALA  49          2HB       ALA  49  37.100  -4.017   1.138
  355   3HB   ALA  49          3HB       ALA  49  38.614  -4.052   0.234
  356    H    VAL  50           H        VAL  50  40.848  -2.238   1.679
  357    HA   VAL  50           HA       VAL  50  41.217  -0.354  -0.561
  358    HB   VAL  50           HB       VAL  50  42.886  -0.475   1.964
  359   1HG1  VAL  50          1HG1      VAL  50  43.987   1.524   1.073
  360   2HG1  VAL  50          2HG1      VAL  50  43.022   1.398  -0.398
  361   3HG1  VAL  50          3HG1      VAL  50  44.190   0.138   0.003
  362   1HG2  VAL  50          1HG2      VAL  50  40.713   0.510   2.415
  363   2HG2  VAL  50          2HG2      VAL  50  40.902   1.605   1.046
  364   3HG2  VAL  50          3HG2      VAL  50  41.965   1.752   2.447
  365    H    ASP  51           H        ASP  51  42.241  -1.339  -2.172
  366    HA   ASP  51           HA       ASP  51  44.288  -3.346  -1.526
  367   1HB   ASP  51          1HB       ASP  51  41.892  -4.213  -2.263
  368   2HB   ASP  51          2HB       ASP  51  42.501  -3.830  -3.872
  369    H    TYR  52           H        TYR  52  45.113  -4.044  -4.032
  370    HA   TYR  52           HA       TYR  52  45.886  -1.465  -5.224
  371   1HB   TYR  52          1HB       TYR  52  47.719  -3.707  -4.388
  372   2HB   TYR  52          2HB       TYR  52  48.202  -2.451  -5.523
  373    HD1  TYR  52           HD1      TYR  52  47.594  -3.269  -2.038
  374    HD2  TYR  52           HD2      TYR  52  48.394  -0.109  -4.767
  375    HE1  TYR  52           HE1      TYR  52  48.236  -1.821  -0.158
  376    HE2  TYR  52           HE2      TYR  52  49.043   1.350  -2.898
  377    HH   TYR  52           HH       TYR  52  49.626   0.187   0.224
  378    H    PHE  53           H        PHE  53  45.382  -1.403  -7.253
  379    HA   PHE  53           HA       PHE  53  45.260  -3.901  -8.807
  380   1HB   PHE  53          1HB       PHE  53  43.144  -2.719  -8.706
  381   2HB   PHE  53          2HB       PHE  53  43.910  -1.222  -9.213
  382    HD1  PHE  53           HD1      PHE  53  44.018  -0.659 -11.460
  383    HD2  PHE  53           HD2      PHE  53  43.140  -4.670 -10.350
  384    HE1  PHE  53           HE1      PHE  53  43.490  -1.186 -13.803
  385    HE2  PHE  53           HE2      PHE  53  42.615  -5.209 -12.693
  386    HZ   PHE  53           HZ       PHE  53  42.790  -3.465 -14.423
  387    H    CYS  54           H        CYS  54  46.625  -4.183 -10.496
  388    HA   CYS  54           HA       CYS  54  48.623  -2.161 -10.992
  389   1HB   CYS  54          1HB       CYS  54  49.256  -4.544 -10.954
  390   2HB   CYS  54          2HB       CYS  54  48.195  -4.849 -12.322
  391    H    GLN  55           H        GLN  55  47.477  -0.455 -11.863
  392    HA   GLN  55           HA       GLN  55  45.787  -0.823 -14.147
  393   1HB   GLN  55          1HB       GLN  55  45.899   1.124 -12.290
  394   2HB   GLN  55          2HB       GLN  55  46.857   1.878 -13.559
  395   1HG   GLN  55          1HG       GLN  55  44.095   0.754 -13.962
  396   2HG   GLN  55          2HG       GLN  55  44.446   2.440 -13.630
  397   1HE2  GLN  55          1HE2      GLN  55  43.185   1.111 -15.932
  398   2HE2  GLN  55          2HE2      GLN  55  44.093   1.645 -17.310
  399    H    HIS  56           H        HIS  56  46.640  -1.466 -15.891
  400    HA   HIS  56           HA       HIS  56  48.389  -0.351 -17.619
  401   1HB   HIS  56          1HB       HIS  56  49.987  -0.566 -15.545
  402   2HB   HIS  56          2HB       HIS  56  50.048  -2.266 -15.987
  403    HD1  HIS  56           HD1      HIS  56  50.090  -1.710 -19.131
  404    HD2  HIS  56           HD2      HIS  56  52.582   0.017 -16.285
  405    HE1  HIS  56           HE1      HIS  56  52.157  -1.011 -20.376
  406    HE2  HIS  56           HE2      HIS  56  53.556   0.215 -18.679
  407    H    GLY  57           H        GLY  57  47.350  -3.199 -15.924
  408   1HA   GLY  57          1HA       GLY  57  45.940  -4.676 -17.344
  409   2HA   GLY  57          2HA       GLY  57  47.260  -4.646 -18.499
  410    H    HIS  58           H        HIS  58  47.167  -5.176 -14.955
  411    HA   HIS  58           HA       HIS  58  48.169  -7.901 -15.457
  412   1HB   HIS  58          1HB       HIS  58  49.267  -5.908 -13.480
  413   2HB   HIS  58          2HB       HIS  58  49.523  -7.639 -13.302
  414    HD2  HIS  58           HD2      HIS  58  50.161  -8.070 -16.610
  415    HE1  HIS  58           HE1      HIS  58  53.477  -5.596 -15.690
  416    HE2  HIS  58           HE2      HIS  58  52.405  -7.069 -17.419
  417    H    GLY  59           H        GLY  59  45.854  -5.970 -14.002
  418   1HA   GLY  59          1HA       GLY  59  44.011  -6.667 -12.758
  419   2HA   GLY  59          2HA       GLY  59  44.805  -8.219 -12.507
  420    H    LEU  60           H        LEU  60  44.075  -7.951 -10.259
  421    HA   LEU  60           HA       LEU  60  45.312  -5.846  -8.720
  422   1HB   LEU  60          1HB       LEU  60  43.607  -8.204  -7.939
  423   2HB   LEU  60          2HB       LEU  60  44.328  -7.133  -6.757
  424    HG   LEU  60           HG       LEU  60  43.097  -5.239  -7.965
  425   1HD1  LEU  60          1HD1      LEU  60  41.564  -7.586  -9.072
  426   2HD1  LEU  60          2HD1      LEU  60  42.529  -6.437  -9.999
  427   3HD1  LEU  60          3HD1      LEU  60  41.071  -5.895  -9.167
  428   1HD2  LEU  60          1HD2      LEU  60  41.044  -5.671  -6.720
  429   2HD2  LEU  60          2HD2      LEU  60  42.474  -6.067  -5.765
  430   3HD2  LEU  60          3HD2      LEU  60  41.523  -7.354  -6.508
  431    H    ILE  61           H        ILE  61  46.813  -6.161  -7.031
  432    HA   ILE  61           HA       ILE  61  48.500  -8.561  -7.359
  433    HB   ILE  61           HB       ILE  61  49.412  -5.742  -6.717
  434   1HG1  ILE  61          1HG1      ILE  61  48.731  -6.000  -9.071
  435   2HG1  ILE  61          2HG1      ILE  61  50.467  -5.754  -8.922
  436   1HG2  ILE  61          1HG2      ILE  61  51.022  -8.254  -7.162
  437   2HG2  ILE  61          2HG2      ILE  61  50.799  -7.413  -5.627
  438   3HG2  ILE  61          3HG2      ILE  61  51.684  -6.634  -6.940
  439   1HD1  ILE  61          1HD1      ILE  61  50.824  -8.152  -9.230
  440   2HD1  ILE  61          2HD1      ILE  61  49.967  -7.431 -10.592
  441   3HD1  ILE  61          3HD1      ILE  61  49.082  -8.384  -9.400
  442    H    SER  62           H        SER  62  49.283  -9.506  -5.471
  443    HA   SER  62           HA       SER  62  47.875  -9.031  -3.062
  444   1HB   SER  62          1HB       SER  62  50.484 -10.521  -3.457
  445   2HB   SER  62          2HB       SER  62  49.401 -10.663  -2.071
  446    HG   SER  62           HG       SER  62  47.821 -11.140  -4.015
  447    H    LYS  63           H        LYS  63  48.193  -7.533  -1.564
  448    HA   LYS  63           HA       LYS  63  50.167  -5.530  -2.040
  449   1HB   LYS  63          1HB       LYS  63  49.151  -4.532   0.101
  450   2HB   LYS  63          2HB       LYS  63  48.145  -4.657  -1.332
  451   1HG   LYS  63          1HG       LYS  63  47.282  -6.834  -0.365
  452   2HG   LYS  63          2HG       LYS  63  48.082  -6.363   1.136
  453   1HD   LYS  63          1HD       LYS  63  46.735  -4.410   1.335
  454   2HD   LYS  63          2HD       LYS  63  46.095  -4.610  -0.297
  455   1HE   LYS  63          1HE       LYS  63  45.630  -6.490   2.018
  456   2HE   LYS  63          2HE       LYS  63  44.477  -5.297   1.417
  457   1HZ   LYS  63          1HZ       LYS  63  44.393  -6.462  -0.693
  458   2HZ   LYS  63          2HZ       LYS  63  44.024  -7.528   0.573
  459   3HZ   LYS  63          3HZ       LYS  63  45.553  -7.582  -0.156
  460    H    LYS  64           H        LYS  64  50.353  -8.400  -0.303
  461    HA   LYS  64           HA       LYS  64  52.558  -7.343   1.319
  462   1HB   LYS  64          1HB       LYS  64  51.147 -10.007   1.329
  463   2HB   LYS  64          2HB       LYS  64  52.641  -9.729   2.212
  464   1HG   LYS  64          1HG       LYS  64  51.481  -7.860   3.407
  465   2HG   LYS  64          2HG       LYS  64  49.984  -8.389   2.638
  466   1HD   LYS  64          1HD       LYS  64  50.249  -9.305   4.914
  467   2HD   LYS  64          2HD       LYS  64  50.175 -10.566   3.682
  468   1HE   LYS  64          1HE       LYS  64  52.602 -10.776   3.728
  469   2HE   LYS  64          2HE       LYS  64  52.704  -9.481   4.921
  470   1HZ   LYS  64          1HZ       LYS  64  51.113 -11.907   5.470
  471   2HZ   LYS  64          2HZ       LYS  64  51.814 -10.818   6.568
  472   3HZ   LYS  64          3HZ       LYS  64  52.791 -11.904   5.711
  473    H    ARG  65           H        ARG  65  52.207  -8.130  -1.719
  474    HA   ARG  65           HA       ARG  65  54.789  -9.543  -1.918
  475   1HB   ARG  65          1HB       ARG  65  52.561 -10.770  -2.551
  476   2HB   ARG  65          2HB       ARG  65  52.639  -9.783  -4.002
  477   1HG   ARG  65          1HG       ARG  65  54.716 -10.770  -4.644
  478   2HG   ARG  65          2HG       ARG  65  54.844 -11.618  -3.099
  479   1HD   ARG  65          1HD       ARG  65  52.701 -12.787  -3.672
  480   2HD   ARG  65          2HD       ARG  65  52.811 -12.070  -5.277
  481    HE   ARG  65           HE       ARG  65  55.004 -13.280  -5.451
  482   1HH1  ARG  65          1HH1      ARG  65  52.427 -14.429  -3.379
  483   2HH1  ARG  65          2HH1      ARG  65  52.937 -16.088  -3.432
  484   1HH2  ARG  65          1HH2      ARG  65  55.691 -15.442  -5.531
  485   2HH2  ARG  65          2HH2      ARG  65  54.807 -16.669  -4.662
  486    H    VAL  66           H        VAL  66  53.728  -6.674  -2.008
  487    HA   VAL  66           HA       VAL  66  54.493  -5.867  -4.716
  488    HB   VAL  66           HB       VAL  66  52.341  -5.033  -3.805
  489   1HG1  VAL  66          1HG1      VAL  66  54.053  -3.637  -1.779
  490   2HG1  VAL  66          2HG1      VAL  66  52.923  -4.956  -1.470
  491   3HG1  VAL  66          3HG1      VAL  66  52.323  -3.390  -2.018
  492   1HG2  VAL  66          1HG2      VAL  66  53.503  -3.697  -5.478
  493   2HG2  VAL  66          2HG2      VAL  66  54.389  -2.860  -4.203
  494   3HG2  VAL  66          3HG2      VAL  66  52.640  -2.670  -4.332
  495    H    GLU  67           H        GLU  67  56.010  -4.091  -5.001
  496    HA   GLU  67           HA       GLU  67  58.123  -4.132  -2.984
  497   1HB   GLU  67          1HB       GLU  67  58.710  -4.587  -5.347
  498   2HB   GLU  67          2HB       GLU  67  58.121  -2.988  -5.785
  499   1HG   GLU  67          1HG       GLU  67  59.845  -1.938  -4.480
  500   2HG   GLU  67          2HG       GLU  67  60.388  -3.502  -3.873
  501    H    PHE  68           H        PHE  68  58.154  -2.580  -1.500
  502    HA   PHE  68           HA       PHE  68  56.798  -0.055  -2.061
  503   1HB   PHE  68          1HB       PHE  68  57.759  -1.294   0.520
  504   2HB   PHE  68          2HB       PHE  68  57.122   0.344   0.416
  505    HD1  PHE  68           HD1      PHE  68  56.326  -3.011   1.036
  506    HD2  PHE  68           HD2      PHE  68  54.768   0.536  -0.723
  507    HE1  PHE  68           HE1      PHE  68  54.042  -3.890   1.297
  508    HE2  PHE  68           HE2      PHE  68  52.480  -0.333  -0.467
  509    HZ   PHE  68           HZ       PHE  68  52.115  -2.553   0.540
  510    H    VAL  69           H        VAL  69  57.847   1.764  -2.414
  511    HA   VAL  69           HA       VAL  69  60.678   1.945  -1.609
  512    HB   VAL  69           HB       VAL  69  61.057   3.478  -3.492
  513   1HG1  VAL  69          1HG1      VAL  69  60.928   1.819  -5.309
  514   2HG1  VAL  69          2HG1      VAL  69  59.897   0.811  -4.296
  515   3HG1  VAL  69          3HG1      VAL  69  61.560   1.136  -3.814
  516   1HG2  VAL  69          1HG2      VAL  69  58.820   4.379  -3.746
  517   2HG2  VAL  69          2HG2      VAL  69  58.220   2.808  -4.274
  518   3HG2  VAL  69          3HG2      VAL  69  59.373   3.692  -5.274
  519    H    LEU  70           H        LEU  70  61.236   4.516  -1.695
  520    HA   LEU  70           HA       LEU  70  59.595   5.607   0.404
  521   1HB   LEU  70          1HB       LEU  70  61.962   6.786  -1.055
  522   2HB   LEU  70          2HB       LEU  70  61.199   7.489   0.358
  523    HG   LEU  70           HG       LEU  70  62.622   4.824   0.277
  524   1HD1  LEU  70          1HD1      LEU  70  63.423   7.453   1.516
  525   2HD1  LEU  70          2HD1      LEU  70  64.150   6.714   0.089
  526   3HD1  LEU  70          3HD1      LEU  70  64.300   5.931   1.662
  527   1HD2  LEU  70          1HD2      LEU  70  60.794   4.817   1.881
  528   2HD2  LEU  70          2HD2      LEU  70  61.377   6.328   2.577
  529   3HD2  LEU  70          3HD2      LEU  70  62.347   4.862   2.716
  530    H    ALA  71           H        ALA  71  58.277   7.392   0.331
  531    HA   ALA  71           HA       ALA  71  57.606   8.383  -2.355
  532   1HB   ALA  71          1HB       ALA  71  55.945   8.449   0.163
  533   2HB   ALA  71          2HB       ALA  71  55.735   7.335  -1.188
  534   3HB   ALA  71          3HB       ALA  71  55.451   9.061  -1.416
  Start of MODEL   11
    1    H    MET   1           H        MET   1  64.373  -9.579  10.672
    2    HA   MET   1           HA       MET   1  66.292  -7.586   9.616
    3   1HB   MET   1          1HB       MET   1  64.562  -9.625   8.194
    4   2HB   MET   1          2HB       MET   1  65.616  -8.453   7.418
    5   1HG   MET   1          1HG       MET   1  67.557  -9.526   8.443
    6   2HG   MET   1          2HG       MET   1  66.494 -10.709   9.207
    7   1HE   MET   1          1HE       MET   1  67.756 -12.759   8.219
    8   2HE   MET   1          2HE       MET   1  68.938 -11.663   7.501
    9   3HE   MET   1          3HE       MET   1  68.199 -12.929   6.519
   10    H    GLU   2           H        GLU   2  65.378  -5.641   9.700
   11    HA   GLU   2           HA       GLU   2  62.518  -5.416   9.047
   12   1HB   GLU   2          1HB       GLU   2  63.758  -3.634  11.128
   13   2HB   GLU   2          2HB       GLU   2  62.059  -3.926  10.810
   14   1HG   GLU   2          1HG       GLU   2  62.425  -5.011  12.814
   15   2HG   GLU   2          2HG       GLU   2  62.532  -6.315  11.631
   16    H    LEU   3           H        LEU   3  61.947  -3.122   8.488
   17    HA   LEU   3           HA       LEU   3  63.941  -1.913   6.821
   18   1HB   LEU   3          1HB       LEU   3  61.236  -0.893   7.719
   19   2HB   LEU   3          2HB       LEU   3  62.240  -0.135   6.498
   20    HG   LEU   3           HG       LEU   3  61.003  -2.881   6.296
   21   1HD1  LEU   3          1HD1      LEU   3  59.348  -1.112   6.133
   22   2HD1  LEU   3          2HD1      LEU   3  59.609  -1.867   4.559
   23   3HD1  LEU   3          3HD1      LEU   3  60.322  -0.293   4.912
   24   1HD2  LEU   3          1HD2      LEU   3  62.602  -1.295   4.290
   25   2HD2  LEU   3          2HD2      LEU   3  61.787  -2.827   3.977
   26   3HD2  LEU   3          3HD2      LEU   3  63.132  -2.761   5.116
   27    H    HIS   4           H        HIS   4  65.439  -0.501   7.453
   28    HA   HIS   4           HA       HIS   4  65.037   0.891  10.017
   29   1HB   HIS   4          1HB       HIS   4  67.572  -0.218   8.804
   30   2HB   HIS   4          2HB       HIS   4  67.592   0.980  10.093
   31    HD1  HIS   4           HD1      HIS   4  68.024  -0.118  12.277
   32    HD2  HIS   4           HD2      HIS   4  65.721  -2.518   9.775
   33    HE1  HIS   4           HE1      HIS   4  67.516  -2.190  13.600
   34    HE2  HIS   4           HE2      HIS   4  66.031  -3.584  12.118
   35    H    CYS   5           H        CYS   5  66.070   3.051  10.144
   36    HA   CYS   5           HA       CYS   5  65.556   4.372   7.590
   37   1HB   CYS   5          1HB       CYS   5  65.588   6.474   9.079
   38   2HB   CYS   5          2HB       CYS   5  64.242   5.361   9.253
   39    HA   PRO   6           HA       PRO   6  69.966   4.521   6.994
   40   1HB   PRO   6          1HB       PRO   6  69.246   6.396   4.820
   41   2HB   PRO   6          2HB       PRO   6  70.154   4.883   4.749
   42   1HG   PRO   6          1HG       PRO   6  67.654   5.042   3.817
   43   2HG   PRO   6          2HG       PRO   6  68.243   3.586   4.638
   44   1HD   PRO   6          1HD       PRO   6  66.478   5.768   5.674
   45   2HD   PRO   6          2HD       PRO   6  66.386   4.016   5.948
   46    H    GLN   7           H        GLN   7  67.921   7.232   7.581
   47    HA   GLN   7           HA       GLN   7  70.042   9.185   7.535
   48   1HB   GLN   7          1HB       GLN   7  67.150   9.395   8.382
   49   2HB   GLN   7          2HB       GLN   7  68.260  10.754   8.270
   50   1HG   GLN   7          1HG       GLN   7  68.461  10.477   5.902
   51   2HG   GLN   7          2HG       GLN   7  67.530   8.981   5.951
   52   1HE2  GLN   7          1HE2      GLN   7  66.659  11.710   7.916
   53   2HE2  GLN   7          2HE2      GLN   7  65.237  12.152   7.031
   54    H    CYS   8           H        CYS   8  68.268   7.390   9.979
   55    HA   CYS   8           HA       CYS   8  69.971   8.600  12.039
   56   1HB   CYS   8          1HB       CYS   8  67.617   8.328  13.384
   57   2HB   CYS   8          2HB       CYS   8  68.179   9.825  12.645
   58    H    GLN   9           H        GLN   9  69.037   5.885  10.589
   59    HA   GLN   9           HA       GLN   9  69.042   3.683  11.000
   60   1HB   GLN   9          1HB       GLN   9  71.268   4.572  12.810
   61   2HB   GLN   9          2HB       GLN   9  70.969   2.906  12.335
   62   1HG   GLN   9          1HG       GLN   9  71.503   5.147  10.395
   63   2HG   GLN   9          2HG       GLN   9  72.737   4.043  11.010
   64   1HE2  GLN   9          1HE2      GLN   9  70.986   1.739  11.024
   65   2HE2  GLN   9          2HE2      GLN   9  70.764   1.274   9.372
   66    H    HIS  10           H        HIS  10  66.983   3.595  11.906
   67    HA   HIS  10           HA       HIS  10  67.037   2.009  14.270
   68   1HB   HIS  10          1HB       HIS  10  66.002   4.778  14.424
   69   2HB   HIS  10          2HB       HIS  10  64.941   3.539  15.088
   70    HD1  HIS  10           HD1      HIS  10  67.190   5.821  16.357
   71    HD2  HIS  10           HD2      HIS  10  66.916   1.682  16.724
   72    HE1  HIS  10           HE1      HIS  10  68.467   5.233  18.441
   73    HE2  HIS  10           HE2      HIS  10  68.373   2.720  18.592
   74    H    VAL  11           H        VAL  11  64.417   1.609  14.756
   75    HA   VAL  11           HA       VAL  11  63.751   0.126  12.418
   76    HB   VAL  11           HB       VAL  11  63.369  -0.743  14.686
   77   1HG1  VAL  11          1HG1      VAL  11  62.634   1.293  15.784
   78   2HG1  VAL  11          2HG1      VAL  11  61.450   0.004  15.998
   79   3HG1  VAL  11          3HG1      VAL  11  61.152   1.291  14.829
   80   1HG2  VAL  11          1HG2      VAL  11  62.164  -1.720  12.820
   81   2HG2  VAL  11          2HG2      VAL  11  60.872  -0.533  13.009
   82   3HG2  VAL  11          3HG2      VAL  11  61.165  -1.729  14.272
   83    H    LEU  12           H        LEU  12  62.345   0.475  10.863
   84    HA   LEU  12           HA       LEU  12  60.609   2.845  10.958
   85   1HB   LEU  12          1HB       LEU  12  61.847   1.242   8.757
   86   2HB   LEU  12          2HB       LEU  12  60.363   2.116   8.438
   87    HG   LEU  12           HG       LEU  12  62.900   3.402   9.444
   88   1HD1  LEU  12          1HD1      LEU  12  61.736   3.313   6.663
   89   2HD1  LEU  12          2HD1      LEU  12  63.202   2.490   7.196
   90   3HD1  LEU  12          3HD1      LEU  12  63.141   4.253   7.169
   91   1HD2  LEU  12          1HD2      LEU  12  60.320   4.539   8.375
   92   2HD2  LEU  12          2HD2      LEU  12  61.759   5.473   8.792
   93   3HD2  LEU  12          3HD2      LEU  12  60.875   4.605  10.048
   94    H    ASP  13           H        ASP  13  59.651   0.913  12.532
   95    HA   ASP  13           HA       ASP  13  58.096  -1.067  11.221
   96   1HB   ASP  13          1HB       ASP  13  58.831  -1.129  13.647
   97   2HB   ASP  13          2HB       ASP  13  57.578   0.065  13.977
   98    H    GLN  14           H        GLN  14  56.659  -0.408   9.763
   99    HA   GLN  14           HA       GLN  14  55.113   2.001  10.193
  100   1HB   GLN  14          1HB       GLN  14  54.251   1.534   7.897
  101   2HB   GLN  14          2HB       GLN  14  55.995   1.722   7.996
  102   1HG   GLN  14          1HG       GLN  14  56.245  -0.719   7.948
  103   2HG   GLN  14          2HG       GLN  14  54.495  -0.877   7.788
  104   1HE2  GLN  14          1HE2      GLN  14  57.438   0.122   6.242
  105   2HE2  GLN  14          2HE2      GLN  14  56.809   0.207   4.638
  106    H    ASP  15           H        ASP  15  52.905   2.122  10.329
  107    HA   ASP  15           HA       ASP  15  51.643  -0.116  11.612
  108   1HB   ASP  15          1HB       ASP  15  51.268   2.227  12.332
  109   2HB   ASP  15          2HB       ASP  15  50.479   2.554  10.793
  110    H    ASN  16           H        ASN  16  50.937   1.794   8.698
  111    HA   ASN  16           HA       ASN  16  50.331  -0.493   7.132
  112   1HB   ASN  16          1HB       ASN  16  48.242  -0.447   8.436
  113   2HB   ASN  16          2HB       ASN  16  47.976   1.226   7.958
  114   1HD2  ASN  16          1HD2      ASN  16  46.007   0.733   6.996
  115   2HD2  ASN  16          2HD2      ASN  16  45.909  -0.116   5.490
  116    H    GLY  17           H        GLY  17  51.551   0.299   5.505
  117   1HA   GLY  17          1HA       GLY  17  51.794   1.446   3.499
  118   2HA   GLY  17          2HA       GLY  17  50.435   2.464   3.947
  119    H    HIS  18           H        HIS  18  51.135   3.688   6.186
  120    HA   HIS  18           HA       HIS  18  53.375   5.352   5.363
  121   1HB   HIS  18          1HB       HIS  18  51.045   5.674   7.129
  122   2HB   HIS  18          2HB       HIS  18  52.520   6.424   7.729
  123    HD1  HIS  18           HD1      HIS  18  49.672   7.352   5.954
  124    HD2  HIS  18           HD2      HIS  18  53.741   7.945   5.319
  125    HE1  HIS  18           HE1      HIS  18  49.843   9.351   4.426
  126    HE2  HIS  18           HE2      HIS  18  52.324   9.788   4.189
  127    H    ALA  19           H        ALA  19  55.347   5.151   6.138
  128    HA   ALA  19           HA       ALA  19  55.795   3.435   8.460
  129   1HB   ALA  19          1HB       ALA  19  58.130   3.412   7.763
  130   2HB   ALA  19          2HB       ALA  19  57.771   4.569   6.482
  131   3HB   ALA  19          3HB       ALA  19  57.075   2.948   6.428
  132    H    ARG  20           H        ARG  20  57.123   4.114  10.190
  133    HA   ARG  20           HA       ARG  20  57.800   6.943  10.298
  134   1HB   ARG  20          1HB       ARG  20  55.556   6.725  11.359
  135   2HB   ARG  20          2HB       ARG  20  56.243   5.586  12.511
  136   1HG   ARG  20          1HG       ARG  20  57.799   7.340  13.270
  137   2HG   ARG  20          2HG       ARG  20  57.021   8.473  12.167
  138   1HD   ARG  20          1HD       ARG  20  54.875   8.043  13.373
  139   2HD   ARG  20          2HD       ARG  20  55.792   7.095  14.548
  140    HE   ARG  20           HE       ARG  20  56.987   9.625  14.259
  141   1HH1  ARG  20          1HH1      ARG  20  54.141   8.125  15.665
  142   2HH1  ARG  20          2HH1      ARG  20  53.897   9.410  16.816
  143   1HH2  ARG  20          1HH2      ARG  20  56.657  11.290  15.753
  144   2HH2  ARG  20          2HH2      ARG  20  55.304  11.219  16.847
  145    H    CYS  21           H        CYS  21  59.640   7.338  11.364
  146    HA   CYS  21           HA       CYS  21  61.273   5.229  12.337
  147   1HB   CYS  21          1HB       CYS  21  61.411   8.230  12.663
  148   2HB   CYS  21          2HB       CYS  21  62.663   7.135  13.226
  149    H    ARG  22           H        ARG  22  60.234   4.101  13.964
  150    HA   ARG  22           HA       ARG  22  58.519   5.259  15.852
  151   1HB   ARG  22          1HB       ARG  22  58.772   2.792  15.134
  152   2HB   ARG  22          2HB       ARG  22  60.021   2.708  16.370
  153   1HG   ARG  22          1HG       ARG  22  58.416   3.347  18.071
  154   2HG   ARG  22          2HG       ARG  22  57.158   3.515  16.844
  155   1HD   ARG  22          1HD       ARG  22  57.768   1.056  16.265
  156   2HD   ARG  22          2HD       ARG  22  58.481   1.042  17.877
  157    HE   ARG  22           HE       ARG  22  56.215   1.704  18.700
  158   1HH1  ARG  22          1HH1      ARG  22  56.614   0.083  15.632
  159   2HH1  ARG  22          2HH1      ARG  22  55.037  -0.634  15.639
  160   1HH2  ARG  22          1HH2      ARG  22  54.105   0.757  18.723
  161   2HH2  ARG  22          2HH2      ARG  22  53.614  -0.248  17.394
  162    H    SER  23           H        SER  23  61.895   4.217  16.197
  163    HA   SER  23           HA       SER  23  62.129   5.044  18.899
  164   1HB   SER  23          1HB       SER  23  64.475   4.815  17.043
  165   2HB   SER  23          2HB       SER  23  64.347   4.345  18.738
  166    HG   SER  23           HG       SER  23  63.363   2.505  18.190
  167    H    CYS  24           H        CYS  24  62.750   6.616  15.811
  168    HA   CYS  24           HA       CYS  24  64.263   8.765  16.985
  169   1HB   CYS  24          1HB       CYS  24  63.093   8.941  14.243
  170   2HB   CYS  24          2HB       CYS  24  64.646   9.512  14.831
  171    H    GLY  25           H        GLY  25  61.046   8.453  15.481
  172   1HA   GLY  25          1HA       GLY  25  59.214   9.668  16.591
  173   2HA   GLY  25          2HA       GLY  25  60.322  11.024  16.742
  174    H    GLU  26           H        GLU  26  61.384  10.551  13.998
  175    HA   GLU  26           HA       GLU  26  59.558  12.346  12.728
  176   1HB   GLU  26          1HB       GLU  26  61.187  12.619  11.049
  177   2HB   GLU  26          2HB       GLU  26  62.091  12.390  12.536
  178   1HG   GLU  26          1HG       GLU  26  61.651   9.868  11.245
  179   2HG   GLU  26          2HG       GLU  26  62.381  11.016  10.125
  180    H    PHE  27           H        PHE  27  58.636  12.067  10.611
  181    HA   PHE  27           HA       PHE  27  57.636   9.341  10.194
  182   1HB   PHE  27          1HB       PHE  27  56.652  12.002   9.129
  183   2HB   PHE  27          2HB       PHE  27  55.919  10.447   8.767
  184    HD1  PHE  27           HD1      PHE  27  56.483  12.968  11.381
  185    HD2  PHE  27           HD2      PHE  27  54.501   9.350  10.337
  186    HE1  PHE  27           HE1      PHE  27  55.031  13.200  13.354
  187    HE2  PHE  27           HE2      PHE  27  53.048   9.574  12.308
  188    HZ   PHE  27           HZ       PHE  27  53.310  11.502  13.818
  189    H    ILE  28           H        ILE  28  57.634   8.395   8.095
  190    HA   ILE  28           HA       ILE  28  59.187   9.778   6.029
  191    HB   ILE  28           HB       ILE  28  59.695   6.928   6.911
  192   1HG1  ILE  28          1HG1      ILE  28  61.466   9.384   6.826
  193   2HG1  ILE  28          2HG1      ILE  28  60.859   8.585   8.271
  194   1HG2  ILE  28          1HG2      ILE  28  59.676   7.049   4.479
  195   2HG2  ILE  28          2HG2      ILE  28  61.319   6.812   5.075
  196   3HG2  ILE  28          3HG2      ILE  28  60.803   8.406   4.522
  197   1HD1  ILE  28          1HD1      ILE  28  63.194   8.050   7.869
  198   2HD1  ILE  28          2HD1      ILE  28  62.784   7.404   6.280
  199   3HD1  ILE  28          3HD1      ILE  28  62.185   6.610   7.736
  200    H    GLU  29           H        GLU  29  58.018   9.865   4.246
  201    HA   GLU  29           HA       GLU  29  55.646   8.306   3.905
  202   1HB   GLU  29          1HB       GLU  29  57.031  10.089   1.891
  203   2HB   GLU  29          2HB       GLU  29  55.363   9.539   1.830
  204   1HG   GLU  29          1HG       GLU  29  56.534  11.376   3.910
  205   2HG   GLU  29          2HG       GLU  29  55.540  11.867   2.541
  206    H    MET  30           H        MET  30  55.289   6.574   2.582
  207    HA   MET  30           HA       MET  30  57.534   5.658   0.915
  208   1HB   MET  30          1HB       MET  30  55.751   3.932   2.643
  209   2HB   MET  30          2HB       MET  30  56.885   3.311   1.453
  210   1HG   MET  30          1HG       MET  30  58.714   4.444   2.708
  211   2HG   MET  30          2HG       MET  30  57.534   4.851   3.953
  212   1HE   MET  30          1HE       MET  30  59.559   2.016   2.185
  213   2HE   MET  30          2HE       MET  30  57.898   1.580   1.782
  214   3HE   MET  30          3HE       MET  30  58.837   0.561   2.873
  215    H    LYS  31           H        LYS  31  56.902   4.314  -0.904
  216    HA   LYS  31           HA       LYS  31  54.208   5.052  -1.856
  217   1HB   LYS  31          1HB       LYS  31  56.748   4.835  -3.482
  218   2HB   LYS  31          2HB       LYS  31  55.162   5.274  -4.104
  219   1HG   LYS  31          1HG       LYS  31  55.166   7.309  -2.828
  220   2HG   LYS  31          2HG       LYS  31  56.666   6.850  -2.025
  221   1HD   LYS  31          1HD       LYS  31  57.332   8.376  -3.667
  222   2HD   LYS  31          2HD       LYS  31  57.695   6.800  -4.366
  223   1HE   LYS  31          1HE       LYS  31  55.150   8.304  -4.931
  224   2HE   LYS  31          2HE       LYS  31  56.607   8.487  -5.903
  225   1HZ   LYS  31          1HZ       LYS  31  55.011   6.011  -5.525
  226   2HZ   LYS  31          2HZ       LYS  31  56.513   6.060  -6.314
  227   3HZ   LYS  31          3HZ       LYS  31  55.191   6.911  -6.950
  228    H    ALA  32           H        ALA  32  52.998   3.521  -2.837
  229    HA   ALA  32           HA       ALA  32  53.959   0.766  -2.723
  230   1HB   ALA  32          1HB       ALA  32  51.619   0.158  -3.040
  231   2HB   ALA  32          2HB       ALA  32  51.199   1.852  -3.278
  232   3HB   ALA  32          3HB       ALA  32  51.794   1.302  -1.711
  233    H    LEU  33           H        LEU  33  54.798  -0.157  -4.484
  234    HA   LEU  33           HA       LEU  33  53.781   0.679  -7.123
  235   1HB   LEU  33          1HB       LEU  33  56.626  -0.015  -6.389
  236   2HB   LEU  33          2HB       LEU  33  56.052   0.247  -8.022
  237    HG   LEU  33           HG       LEU  33  56.102   2.321  -5.832
  238   1HD1  LEU  33          1HD1      LEU  33  58.328   1.737  -6.623
  239   2HD1  LEU  33          2HD1      LEU  33  57.867   3.345  -7.183
  240   3HD1  LEU  33          3HD1      LEU  33  57.810   1.975  -8.292
  241   1HD2  LEU  33          1HD2      LEU  33  54.251   2.661  -7.394
  242   2HD2  LEU  33          2HD2      LEU  33  55.374   2.561  -8.751
  243   3HD2  LEU  33          3HD2      LEU  33  55.497   3.892  -7.600
  244    H    CYS  34           H        CYS  34  53.956  -0.925  -8.798
  245    HA   CYS  34           HA       CYS  34  53.533  -3.632  -7.915
  246   1HB   CYS  34          1HB       CYS  34  52.385  -2.622  -9.903
  247   2HB   CYS  34          2HB       CYS  34  53.936  -2.572 -10.727
  248    HA   PRO  35           HA       PRO  35  57.816  -4.612  -7.417
  249   1HB   PRO  35          1HB       PRO  35  57.530  -7.340  -8.005
  250   2HB   PRO  35          2HB       PRO  35  57.399  -6.591  -6.411
  251   1HG   PRO  35          1HG       PRO  35  55.253  -7.379  -8.321
  252   2HG   PRO  35          2HG       PRO  35  55.263  -7.445  -6.550
  253   1HD   PRO  35          1HD       PRO  35  53.911  -5.544  -7.850
  254   2HD   PRO  35          2HD       PRO  35  54.781  -5.176  -6.343
  255    H    ASP  36           H        ASP  36  56.138  -6.004 -10.217
  256    HA   ASP  36           HA       ASP  36  58.545  -6.528 -11.655
  257   1HB   ASP  36          1HB       ASP  36  56.819  -6.797 -13.604
  258   2HB   ASP  36          2HB       ASP  36  56.862  -7.971 -12.293
  259    H    CYS  37           H        CYS  37  55.874  -4.525 -12.852
  260    HA   CYS  37           HA       CYS  37  57.606  -3.150 -14.633
  261   1HB   CYS  37          1HB       CYS  37  55.467  -1.758 -15.017
  262   2HB   CYS  37          2HB       CYS  37  55.446  -3.465 -15.441
  263    H    HIS  38           H        HIS  38  56.843  -2.605 -11.382
  264    HA   HIS  38           HA       HIS  38  57.224  -0.935  -9.913
  265   1HB   HIS  38          1HB       HIS  38  59.264  -0.351 -12.030
  266   2HB   HIS  38          2HB       HIS  38  59.075   0.743 -10.661
  267    HD1  HIS  38           HD1      HIS  38  61.016  -2.070 -11.640
  268    HD2  HIS  38           HD2      HIS  38  59.159  -0.891  -8.107
  269    HE1  HIS  38           HE1      HIS  38  62.141  -3.379  -9.808
  270    HE2  HIS  38           HE2      HIS  38  60.887  -2.768  -7.700
  271    H    GLN  39           H        GLN  39  55.197  -0.603 -12.055
  272    HA   GLN  39           HA       GLN  39  54.953   2.285 -12.216
  273   1HB   GLN  39          1HB       GLN  39  53.271   0.007 -13.258
  274   2HB   GLN  39          2HB       GLN  39  52.747   1.682 -13.351
  275   1HG   GLN  39          1HG       GLN  39  55.240   0.544 -14.599
  276   2HG   GLN  39          2HG       GLN  39  53.739   0.932 -15.441
  277   1HE2  GLN  39          1HE2      GLN  39  53.150   3.105 -15.708
  278   2HE2  GLN  39          2HE2      GLN  39  54.315   4.383 -15.569
  279    HA   PRO  40           HA       PRO  40  52.460   2.849  -8.616
  280   1HB   PRO  40          1HB       PRO  40  50.674   4.536 -10.270
  281   2HB   PRO  40          2HB       PRO  40  51.579   4.948  -8.811
  282   1HG   PRO  40          1HG       PRO  40  52.347   5.846 -11.206
  283   2HG   PRO  40          2HG       PRO  40  53.534   5.364  -9.977
  284   1HD   PRO  40          1HD       PRO  40  52.602   3.879 -12.402
  285   2HD   PRO  40          2HD       PRO  40  54.236   4.009 -11.719
  286    H    LEU  41           H        LEU  41  50.960   1.589  -7.762
  287    HA   LEU  41           HA       LEU  41  49.145   0.111  -9.435
  288   1HB   LEU  41          1HB       LEU  41  49.553   0.175  -6.446
  289   2HB   LEU  41          2HB       LEU  41  48.412  -0.883  -7.253
  290    HG   LEU  41           HG       LEU  41  51.392  -0.917  -7.723
  291   1HD1  LEU  41          1HD1      LEU  41  50.855  -1.624  -5.454
  292   2HD1  LEU  41          2HD1      LEU  41  51.380  -2.993  -6.437
  293   3HD1  LEU  41          3HD1      LEU  41  49.667  -2.765  -6.083
  294   1HD2  LEU  41          1HD2      LEU  41  50.912  -3.043  -8.850
  295   2HD2  LEU  41          2HD2      LEU  41  50.112  -1.682  -9.636
  296   3HD2  LEU  41          3HD2      LEU  41  49.188  -2.773  -8.604
  297    H    GLN  42           H        GLN  42  46.946   0.300  -9.533
  298    HA   GLN  42           HA       GLN  42  45.848   2.845  -8.707
  299   1HB   GLN  42          1HB       GLN  42  45.280   1.970 -10.921
  300   2HB   GLN  42          2HB       GLN  42  44.577   0.534 -10.190
  301   1HG   GLN  42          1HG       GLN  42  42.843   1.858  -9.157
  302   2HG   GLN  42          2HG       GLN  42  43.581   3.341  -9.757
  303   1HE2  GLN  42          1HE2      GLN  42  41.759   0.504 -10.600
  304   2HE2  GLN  42          2HE2      GLN  42  41.253   1.050 -12.158
  305    H    VAL  43           H        VAL  43  44.866   3.173  -6.860
  306    HA   VAL  43           HA       VAL  43  44.375   1.053  -5.016
  307    HB   VAL  43           HB       VAL  43  43.556   3.961  -4.842
  308   1HG1  VAL  43          1HG1      VAL  43  43.471   3.559  -2.421
  309   2HG1  VAL  43          2HG1      VAL  43  43.801   1.850  -2.703
  310   3HG1  VAL  43          3HG1      VAL  43  42.305   2.568  -3.299
  311   1HG2  VAL  43          1HG2      VAL  43  45.967   3.718  -5.125
  312   2HG2  VAL  43          2HG2      VAL  43  46.018   2.579  -3.779
  313   3HG2  VAL  43          3HG2      VAL  43  45.573   4.261  -3.493
  314    H    LEU  44           H        LEU  44  42.708  -0.283  -5.291
  315    HA   LEU  44           HA       LEU  44  40.241   0.662  -6.498
  316   1HB   LEU  44          1HB       LEU  44  41.047  -2.070  -5.502
  317   2HB   LEU  44          2HB       LEU  44  39.511  -1.706  -6.262
  318    HG   LEU  44           HG       LEU  44  42.242  -1.610  -7.535
  319   1HD1  LEU  44          1HD1      LEU  44  39.790  -3.271  -8.085
  320   2HD1  LEU  44          2HD1      LEU  44  41.278  -3.829  -7.320
  321   3HD1  LEU  44          3HD1      LEU  44  41.292  -3.314  -9.008
  322   1HD2  LEU  44          1HD2      LEU  44  40.904   0.283  -8.310
  323   2HD2  LEU  44          2HD2      LEU  44  39.583  -0.813  -8.713
  324   3HD2  LEU  44          3HD2      LEU  44  41.114  -0.921  -9.582
  325    H    LYS  45           H        LYS  45  38.973   1.787  -5.229
  326    HA   LYS  45           HA       LYS  45  38.734   1.104  -2.402
  327   1HB   LYS  45          1HB       LYS  45  37.720   3.463  -3.993
  328   2HB   LYS  45          2HB       LYS  45  37.457   3.244  -2.269
  329   1HG   LYS  45          1HG       LYS  45  40.205   3.310  -3.466
  330   2HG   LYS  45          2HG       LYS  45  39.355   4.776  -2.969
  331   1HD   LYS  45          1HD       LYS  45  39.904   2.422  -1.162
  332   2HD   LYS  45          2HD       LYS  45  40.904   3.875  -1.240
  333   1HE   LYS  45          1HE       LYS  45  38.941   5.228  -0.616
  334   2HE   LYS  45          2HE       LYS  45  37.989   3.752  -0.478
  335   1HZ   LYS  45          1HZ       LYS  45  40.444   4.257   1.108
  336   2HZ   LYS  45          2HZ       LYS  45  39.291   3.033   1.345
  337   3HZ   LYS  45          3HZ       LYS  45  38.886   4.650   1.651
  338    H    ALA  46           H        ALA  46  37.477  -0.720  -2.398
  339    HA   ALA  46           HA       ALA  46  34.863  -0.590  -3.708
  340   1HB   ALA  46          1HB       ALA  46  34.700  -2.975  -3.213
  341   2HB   ALA  46          2HB       ALA  46  36.225  -2.906  -2.329
  342   3HB   ALA  46          3HB       ALA  46  36.199  -2.612  -4.068
  343    H    CYS  47           H        CYS  47  33.218  -1.992  -2.192
  344    HA   CYS  47           HA       CYS  47  32.834  -0.281   0.099
  345   1HB   CYS  47          1HB       CYS  47  30.709  -1.651   0.350
  346   2HB   CYS  47          2HB       CYS  47  30.862  -0.722  -1.137
  347    HG   CYS  47           HG       CYS  47  30.514  -2.694  -2.739
  348    H    GLY  48           H        GLY  48  34.693  -0.969   1.315
  349   1HA   GLY  48          1HA       GLY  48  34.647  -2.092   3.549
  350   2HA   GLY  48          2HA       GLY  48  34.228  -3.553   2.672
  351    H    ALA  49           H        ALA  49  36.075  -3.116   0.484
  352    HA   ALA  49           HA       ALA  49  38.582  -3.626   1.941
  353   1HB   ALA  49          1HB       ALA  49  39.058  -5.489   0.448
  354   2HB   ALA  49          2HB       ALA  49  37.520  -5.234  -0.375
  355   3HB   ALA  49          3HB       ALA  49  37.543  -5.746   1.313
  356    H    VAL  50           H        VAL  50  40.478  -3.074   0.950
  357    HA   VAL  50           HA       VAL  50  40.271  -1.522  -1.548
  358    HB   VAL  50           HB       VAL  50  42.225  -1.150   0.737
  359   1HG1  VAL  50          1HG1      VAL  50  41.933   0.392  -1.840
  360   2HG1  VAL  50          2HG1      VAL  50  43.271  -0.670  -1.404
  361   3HG1  VAL  50          3HG1      VAL  50  42.999   0.819  -0.502
  362   1HG2  VAL  50          1HG2      VAL  50  39.994  -0.340   1.279
  363   2HG2  VAL  50          2HG2      VAL  50  39.960   0.604  -0.211
  364   3HG2  VAL  50          3HG2      VAL  50  41.112   1.006   1.062
  365    H    ASP  51           H        ASP  51  41.443  -2.269  -3.220
  366    HA   ASP  51           HA       ASP  51  43.644  -4.129  -2.632
  367   1HB   ASP  51          1HB       ASP  51  41.441  -4.420  -4.651
  368   2HB   ASP  51          2HB       ASP  51  43.003  -5.191  -4.914
  369    H    TYR  52           H        TYR  52  45.086  -4.416  -4.599
  370    HA   TYR  52           HA       TYR  52  45.640  -1.731  -5.672
  371   1HB   TYR  52          1HB       TYR  52  47.642  -3.924  -5.089
  372   2HB   TYR  52          2HB       TYR  52  47.996  -2.261  -5.546
  373    HD1  TYR  52           HD1      TYR  52  47.723  -0.438  -3.920
  374    HD2  TYR  52           HD2      TYR  52  46.991  -4.485  -2.831
  375    HE1  TYR  52           HE1      TYR  52  47.765   0.199  -1.543
  376    HE2  TYR  52           HE2      TYR  52  47.034  -3.861  -0.455
  377    HH   TYR  52           HH       TYR  52  46.945  -0.607   0.592
  378    H    PHE  53           H        PHE  53  45.270  -1.600  -7.771
  379    HA   PHE  53           HA       PHE  53  45.329  -4.053  -9.385
  380   1HB   PHE  53          1HB       PHE  53  43.239  -2.670  -9.303
  381   2HB   PHE  53          2HB       PHE  53  44.129  -1.357 -10.064
  382    HD1  PHE  53           HD1      PHE  53  44.498  -1.319 -12.399
  383    HD2  PHE  53           HD2      PHE  53  42.857  -4.781 -10.547
  384    HE1  PHE  53           HE1      PHE  53  43.936  -2.233 -14.613
  385    HE2  PHE  53           HE2      PHE  53  42.292  -5.702 -12.752
  386    HZ   PHE  53           HZ       PHE  53  42.832  -4.428 -14.794
  387    H    CYS  54           H        CYS  54  46.816  -4.359 -10.933
  388    HA   CYS  54           HA       CYS  54  48.792  -2.274 -11.385
  389   1HB   CYS  54          1HB       CYS  54  49.575  -4.575 -11.043
  390   2HB   CYS  54          2HB       CYS  54  48.632  -5.116 -12.425
  391    H    GLN  55           H        GLN  55  47.617  -0.748 -12.524
  392    HA   GLN  55           HA       GLN  55  46.105  -1.345 -14.840
  393   1HB   GLN  55          1HB       GLN  55  45.690   0.700 -13.600
  394   2HB   GLN  55          2HB       GLN  55  47.330   1.258 -13.907
  395   1HG   GLN  55          1HG       GLN  55  46.893   1.675 -16.160
  396   2HG   GLN  55          2HG       GLN  55  45.430   0.689 -16.150
  397   1HE2  GLN  55          1HE2      GLN  55  46.840   3.743 -15.197
  398   2HE2  GLN  55          2HE2      GLN  55  45.341   4.568 -14.946
  399    H    HIS  56           H        HIS  56  47.144  -2.496 -16.284
  400    HA   HIS  56           HA       HIS  56  48.807  -1.495 -18.230
  401   1HB   HIS  56          1HB       HIS  56  50.283  -2.051 -15.839
  402   2HB   HIS  56          2HB       HIS  56  50.715  -3.261 -17.039
  403    HD1  HIS  56           HD1      HIS  56  50.691  -1.468 -19.575
  404    HD2  HIS  56           HD2      HIS  56  52.437  -0.421 -15.948
  405    HE1  HIS  56           HE1      HIS  56  52.460   0.228 -20.135
  406    HE2  HIS  56           HE2      HIS  56  53.665   0.642 -17.959
  407    H    GLY  57           H        GLY  57  48.166  -4.256 -16.150
  408   1HA   GLY  57          1HA       GLY  57  46.708  -5.911 -17.481
  409   2HA   GLY  57          2HA       GLY  57  48.138  -6.025 -18.495
  410    H    HIS  58           H        HIS  58  47.854  -5.860 -14.943
  411    HA   HIS  58           HA       HIS  58  48.935  -8.597 -14.854
  412   1HB   HIS  58          1HB       HIS  58  49.806  -6.224 -13.216
  413   2HB   HIS  58          2HB       HIS  58  50.103  -7.877 -12.694
  414    HD2  HIS  58           HD2      HIS  58  50.984  -8.928 -15.774
  415    HE1  HIS  58           HE1      HIS  58  54.153  -6.172 -15.203
  416    HE2  HIS  58           HE2      HIS  58  53.248  -8.029 -16.634
  417    H    GLY  59           H        GLY  59  46.372  -6.705 -14.152
  418   1HA   GLY  59          1HA       GLY  59  44.448  -7.175 -12.988
  419   2HA   GLY  59          2HA       GLY  59  45.176  -8.702 -12.512
  420    H    LEU  60           H        LEU  60  44.895  -8.806 -10.383
  421    HA   LEU  60           HA       LEU  60  45.366  -6.414  -8.766
  422   1HB   LEU  60          1HB       LEU  60  44.109  -9.074  -8.122
  423   2HB   LEU  60          2HB       LEU  60  44.425  -7.840  -6.917
  424    HG   LEU  60           HG       LEU  60  42.589  -7.550  -9.296
  425   1HD1  LEU  60          1HD1      LEU  60  40.814  -7.499  -7.626
  426   2HD1  LEU  60          2HD1      LEU  60  41.998  -7.788  -6.350
  427   3HD1  LEU  60          3HD1      LEU  60  41.698  -9.025  -7.570
  428   1HD2  LEU  60          1HD2      LEU  60  43.687  -5.449  -8.711
  429   2HD2  LEU  60          2HD2      LEU  60  43.190  -5.652  -7.031
  430   3HD2  LEU  60          3HD2      LEU  60  41.976  -5.413  -8.288
  431    H    ILE  61           H        ILE  61  47.062  -6.164  -7.517
  432    HA   ILE  61           HA       ILE  61  49.014  -8.333  -7.302
  433    HB   ILE  61           HB       ILE  61  49.246  -5.425  -6.490
  434   1HG1  ILE  61          1HG1      ILE  61  49.050  -5.667  -8.911
  435   2HG1  ILE  61          2HG1      ILE  61  50.689  -5.199  -8.475
  436   1HG2  ILE  61          1HG2      ILE  61  51.646  -5.868  -6.298
  437   2HG2  ILE  61          2HG2      ILE  61  51.360  -7.570  -6.658
  438   3HG2  ILE  61          3HG2      ILE  61  50.712  -6.860  -5.179
  439   1HD1  ILE  61          1HD1      ILE  61  49.772  -7.970  -9.207
  440   2HD1  ILE  61          2HD1      ILE  61  51.415  -7.517  -8.751
  441   3HD1  ILE  61          3HD1      ILE  61  50.698  -6.868 -10.226
  442    H    SER  62           H        SER  62  49.243  -9.465  -5.473
  443    HA   SER  62           HA       SER  62  47.454  -9.294  -3.353
  444   1HB   SER  62          1HB       SER  62  50.229 -10.509  -3.336
  445   2HB   SER  62          2HB       SER  62  48.927 -10.880  -2.205
  446    HG   SER  62           HG       SER  62  47.687 -11.499  -4.146
  447    H    LYS  63           H        LYS  63  47.598  -8.492  -1.265
  448    HA   LYS  63           HA       LYS  63  48.544  -5.872  -1.136
  449   1HB   LYS  63          1HB       LYS  63  47.864  -7.626   1.226
  450   2HB   LYS  63          2HB       LYS  63  47.810  -5.870   1.163
  451   1HG   LYS  63          1HG       LYS  63  46.006  -6.012  -0.511
  452   2HG   LYS  63          2HG       LYS  63  46.039  -7.771  -0.363
  453   1HD   LYS  63          1HD       LYS  63  45.609  -7.443   2.105
  454   2HD   LYS  63          2HD       LYS  63  45.292  -5.747   1.735
  455   1HE   LYS  63          1HE       LYS  63  43.820  -8.127   0.615
  456   2HE   LYS  63          2HE       LYS  63  43.219  -7.015   1.840
  457   1HZ   LYS  63          1HZ       LYS  63  43.800  -6.400  -1.006
  458   2HZ   LYS  63          2HZ       LYS  63  43.423  -5.225   0.150
  459   3HZ   LYS  63          3HZ       LYS  63  42.288  -6.415  -0.248
  460    H    LYS  64           H        LYS  64  50.001  -8.841   0.094
  461    HA   LYS  64           HA       LYS  64  52.107  -7.384   1.446
  462   1HB   LYS  64          1HB       LYS  64  51.072  -9.581   2.245
  463   2HB   LYS  64          2HB       LYS  64  52.006 -10.360   0.976
  464   1HG   LYS  64          1HG       LYS  64  54.073  -9.475   1.981
  465   2HG   LYS  64          2HG       LYS  64  53.113  -8.766   3.281
  466   1HD   LYS  64          1HD       LYS  64  53.950 -10.804   4.131
  467   2HD   LYS  64          2HD       LYS  64  52.257 -11.106   3.739
  468   1HE   LYS  64          1HE       LYS  64  53.511 -12.972   2.961
  469   2HE   LYS  64          2HE       LYS  64  53.024 -12.040   1.546
  470   1HZ   LYS  64          1HZ       LYS  64  55.241 -11.032   1.519
  471   2HZ   LYS  64          2HZ       LYS  64  55.322 -12.719   1.365
  472   3HZ   LYS  64          3HZ       LYS  64  55.696 -11.983   2.847
  473    H    ARG  65           H        ARG  65  51.507  -8.324  -1.691
  474    HA   ARG  65           HA       ARG  65  54.260  -8.973  -2.378
  475   1HB   ARG  65          1HB       ARG  65  52.350 -10.215  -3.382
  476   2HB   ARG  65          2HB       ARG  65  51.833  -8.729  -4.164
  477   1HG   ARG  65          1HG       ARG  65  53.942  -8.659  -5.408
  478   2HG   ARG  65          2HG       ARG  65  54.434 -10.171  -4.639
  479   1HD   ARG  65          1HD       ARG  65  52.437 -11.261  -5.597
  480   2HD   ARG  65          2HD       ARG  65  52.046  -9.757  -6.428
  481    HE   ARG  65           HE       ARG  65  54.594 -10.309  -7.228
  482   1HH1  ARG  65          1HH1      ARG  65  51.563 -12.057  -7.243
  483   2HH1  ARG  65          2HH1      ARG  65  51.955 -12.998  -8.652
  484   1HH2  ARG  65          1HH2      ARG  65  55.104 -11.500  -9.110
  485   2HH2  ARG  65          2HH2      ARG  65  53.984 -12.686  -9.716
  486    H    VAL  66           H        VAL  66  52.221  -6.265  -2.201
  487    HA   VAL  66           HA       VAL  66  53.167  -4.627  -4.260
  488    HB   VAL  66           HB       VAL  66  52.273  -3.807  -1.485
  489   1HG1  VAL  66          1HG1      VAL  66  51.802  -1.626  -2.486
  490   2HG1  VAL  66          2HG1      VAL  66  52.486  -2.178  -4.016
  491   3HG1  VAL  66          3HG1      VAL  66  53.516  -2.027  -2.592
  492   1HG2  VAL  66          1HG2      VAL  66  50.566  -5.081  -2.646
  493   2HG2  VAL  66          2HG2      VAL  66  50.732  -4.047  -4.065
  494   3HG2  VAL  66          3HG2      VAL  66  50.106  -3.380  -2.557
  495    H    GLU  67           H        GLU  67  55.039  -3.582  -4.582
  496    HA   GLU  67           HA       GLU  67  57.142  -3.907  -2.603
  497   1HB   GLU  67          1HB       GLU  67  57.475  -4.319  -5.091
  498   2HB   GLU  67          2HB       GLU  67  57.356  -2.578  -5.308
  499   1HG   GLU  67          1HG       GLU  67  59.296  -2.234  -3.915
  500   2HG   GLU  67          2HG       GLU  67  59.387  -3.961  -3.571
  501    H    PHE  68           H        PHE  68  57.213  -2.472  -1.035
  502    HA   PHE  68           HA       PHE  68  56.233   0.239  -1.470
  503   1HB   PHE  68          1HB       PHE  68  57.143  -1.171   1.048
  504   2HB   PHE  68          2HB       PHE  68  56.517   0.471   0.991
  505    HD1  PHE  68           HD1      PHE  68  54.149   0.862   0.362
  506    HD2  PHE  68           HD2      PHE  68  55.699  -3.044   1.034
  507    HE1  PHE  68           HE1      PHE  68  51.858   0.003   0.628
  508    HE2  PHE  68           HE2      PHE  68  53.411  -3.909   1.300
  509    HZ   PHE  68           HZ       PHE  68  51.488  -2.386   1.097
  510    H    VAL  69           H        VAL  69  57.604   1.671  -2.227
  511    HA   VAL  69           HA       VAL  69  60.454   1.434  -1.544
  512    HB   VAL  69           HB       VAL  69  60.898   2.883  -3.459
  513   1HG1  VAL  69          1HG1      VAL  69  60.216   1.356  -5.250
  514   2HG1  VAL  69          2HG1      VAL  69  59.077   0.580  -4.151
  515   3HG1  VAL  69          3HG1      VAL  69  60.810   0.482  -3.840
  516   1HG2  VAL  69          1HG2      VAL  69  59.099   3.530  -4.994
  517   2HG2  VAL  69          2HG2      VAL  69  58.884   4.246  -3.397
  518   3HG2  VAL  69          3HG2      VAL  69  57.911   2.856  -3.880
  519    H    LEU  70           H        LEU  70  61.596   3.626  -1.430
  520    HA   LEU  70           HA       LEU  70  60.264   5.197   0.599
  521   1HB   LEU  70          1HB       LEU  70  62.991   5.503  -0.664
  522   2HB   LEU  70          2HB       LEU  70  62.412   6.413   0.715
  523    HG   LEU  70           HG       LEU  70  62.827   3.424   0.661
  524   1HD1  LEU  70          1HD1      LEU  70  64.733   3.879   2.125
  525   2HD1  LEU  70          2HD1      LEU  70  64.462   5.612   1.938
  526   3HD1  LEU  70          3HD1      LEU  70  64.934   4.638   0.546
  527   1HD2  LEU  70          1HD2      LEU  70  61.050   4.097   2.189
  528   2HD2  LEU  70          2HD2      LEU  70  62.122   5.289   2.926
  529   3HD2  LEU  70          3HD2      LEU  70  62.476   3.568   3.081
  530    H    ALA  71           H        ALA  71  59.783   7.406   0.468
  531    HA   ALA  71           HA       ALA  71  59.415   8.415  -2.257
  532   1HB   ALA  71          1HB       ALA  71  57.886  10.035  -1.258
  533   2HB   ALA  71          2HB       ALA  71  58.280   9.426   0.350
  534   3HB   ALA  71          3HB       ALA  71  57.445   8.389  -0.805
  Start of MODEL   12
    1    H    MET   1           H        MET   1  60.133  -6.712  15.094
    2    HA   MET   1           HA       MET   1  60.982  -6.930  12.777
    3   1HB   MET   1          1HB       MET   1  58.211  -5.864  12.210
    4   2HB   MET   1          2HB       MET   1  59.534  -5.812  11.054
    5   1HG   MET   1          1HG       MET   1  58.349  -8.303  12.251
    6   2HG   MET   1          2HG       MET   1  58.013  -7.672  10.640
    7   1HE   MET   1          1HE       MET   1  60.860  -6.639   9.704
    8   2HE   MET   1          2HE       MET   1  59.792  -7.594   8.675
    9   3HE   MET   1          3HE       MET   1  61.482  -8.063   8.869
   10    H    GLU   2           H        GLU   2  62.487  -5.496  13.197
   11    HA   GLU   2           HA       GLU   2  61.658  -2.745  13.849
   12   1HB   GLU   2          1HB       GLU   2  64.086  -4.269  14.822
   13   2HB   GLU   2          2HB       GLU   2  63.821  -2.556  15.093
   14   1HG   GLU   2          1HG       GLU   2  63.238  -3.730  17.077
   15   2HG   GLU   2          2HG       GLU   2  61.755  -3.127  16.342
   16    H    LEU   3           H        LEU   3  61.675  -2.309  11.576
   17    HA   LEU   3           HA       LEU   3  64.073  -2.565  10.055
   18   1HB   LEU   3          1HB       LEU   3  61.795  -2.449   9.059
   19   2HB   LEU   3          2HB       LEU   3  61.689  -0.773   9.565
   20    HG   LEU   3           HG       LEU   3  63.590  -0.216   8.096
   21   1HD1  LEU   3          1HD1      LEU   3  64.360  -1.866   6.451
   22   2HD1  LEU   3          2HD1      LEU   3  63.384  -3.101   7.246
   23   3HD1  LEU   3          3HD1      LEU   3  64.732  -2.356   8.105
   24   1HD2  LEU   3          1HD2      LEU   3  61.307   0.021   7.270
   25   2HD2  LEU   3          2HD2      LEU   3  61.326  -1.651   6.711
   26   3HD2  LEU   3          3HD2      LEU   3  62.401  -0.464   5.973
   27    H    HIS   4           H        HIS   4  65.800  -1.275  10.076
   28    HA   HIS   4           HA       HIS   4  65.805   0.978  11.873
   29   1HB   HIS   4          1HB       HIS   4  68.007  -0.220  10.179
   30   2HB   HIS   4          2HB       HIS   4  68.231   1.132  11.281
   31    HD1  HIS   4           HD1      HIS   4  69.365  -1.988  11.360
   32    HD2  HIS   4           HD2      HIS   4  66.625  -0.108  13.867
   33    HE1  HIS   4           HE1      HIS   4  69.431  -3.269  13.526
   34    HE2  HIS   4           HE2      HIS   4  67.902  -2.004  15.079
   35    H    CYS   5           H        CYS   5  66.413   3.098  11.322
   36    HA   CYS   5           HA       CYS   5  65.227   4.023   8.880
   37   1HB   CYS   5          1HB       CYS   5  66.867   5.583  10.889
   38   2HB   CYS   5          2HB       CYS   5  65.777   6.248   9.684
   39    HA   PRO   6           HA       PRO   6  68.930   3.607   6.363
   40   1HB   PRO   6          1HB       PRO   6  67.546   5.743   4.815
   41   2HB   PRO   6          2HB       PRO   6  68.225   4.209   4.259
   42   1HG   PRO   6          1HG       PRO   6  65.592   4.513   4.504
   43   2HG   PRO   6          2HG       PRO   6  66.378   2.988   4.956
   44   1HD   PRO   6          1HD       PRO   6  65.339   5.177   6.703
   45   2HD   PRO   6          2HD       PRO   6  65.305   3.421   6.956
   46    H    GLN   7           H        GLN   7  67.539   6.808   7.052
   47    HA   GLN   7           HA       GLN   7  70.193   8.014   6.987
   48   1HB   GLN   7          1HB       GLN   7  67.492   9.268   7.502
   49   2HB   GLN   7          2HB       GLN   7  69.003  10.139   7.295
   50   1HG   GLN   7          1HG       GLN   7  69.159   9.392   5.001
   51   2HG   GLN   7          2HG       GLN   7  67.703   8.415   5.198
   52   1HE2  GLN   7          1HE2      GLN   7  65.708   9.435   5.373
   53   2HE2  GLN   7          2HE2      GLN   7  65.467  11.081   4.883
   54    H    CYS   8           H        CYS   8  67.451   8.217   9.237
   55    HA   CYS   8           HA       CYS   8  69.155   9.210  11.315
   56   1HB   CYS   8          1HB       CYS   8  66.830   9.060  12.551
   57   2HB   CYS   8          2HB       CYS   8  67.145  10.295  11.334
   58    H    GLN   9           H        GLN   9  68.938   6.175  10.366
   59    HA   GLN   9           HA       GLN   9  69.825   4.310  11.272
   60   1HB   GLN   9          1HB       GLN   9  70.284   6.101  13.649
   61   2HB   GLN   9          2HB       GLN   9  70.861   4.444  13.550
   62   1HG   GLN   9          1HG       GLN   9  71.620   6.695  11.701
   63   2HG   GLN   9          2HG       GLN   9  72.615   6.027  12.993
   64   1HE2  GLN   9          1HE2      GLN   9  71.393   5.576   9.793
   65   2HE2  GLN   9          2HE2      GLN   9  72.358   4.198   9.386
   66    H    HIS  10           H        HIS  10  68.016   5.756  14.028
   67    HA   HIS  10           HA       HIS  10  67.954   3.473  15.505
   68   1HB   HIS  10          1HB       HIS  10  67.181   5.911  16.044
   69   2HB   HIS  10          2HB       HIS  10  65.579   5.264  15.699
   70    HD1  HIS  10           HD1      HIS  10  64.483   3.879  17.527
   71    HD2  HIS  10           HD2      HIS  10  68.506   4.632  18.245
   72    HE1  HIS  10           HE1      HIS  10  64.906   3.103  19.875
   73    HE2  HIS  10           HE2      HIS  10  67.283   3.797  20.360
   74    H    VAL  11           H        VAL  11  64.639   4.390  14.670
   75    HA   VAL  11           HA       VAL  11  64.167   1.676  13.687
   76    HB   VAL  11           HB       VAL  11  62.795   2.758  16.163
   77   1HG1  VAL  11          1HG1      VAL  11  62.375   0.141  14.725
   78   2HG1  VAL  11          2HG1      VAL  11  61.245   1.495  14.764
   79   3HG1  VAL  11          3HG1      VAL  11  61.624   0.620  16.248
   80   1HG2  VAL  11          1HG2      VAL  11  64.666   0.418  15.817
   81   2HG2  VAL  11          2HG2      VAL  11  63.804   0.827  17.301
   82   3HG2  VAL  11          3HG2      VAL  11  65.022   1.928  16.657
   83    H    LEU  12           H        LEU  12  62.479   1.479  12.350
   84    HA   LEU  12           HA       LEU  12  60.742   3.808  11.897
   85   1HB   LEU  12          1HB       LEU  12  61.390   1.421  10.163
   86   2HB   LEU  12          2HB       LEU  12  60.194   2.634   9.751
   87    HG   LEU  12           HG       LEU  12  63.125   3.227  10.158
   88   1HD1  LEU  12          1HD1      LEU  12  63.256   3.378   7.730
   89   2HD1  LEU  12          2HD1      LEU  12  61.573   2.868   7.595
   90   3HD1  LEU  12          3HD1      LEU  12  62.784   1.754   8.231
   91   1HD2  LEU  12          1HD2      LEU  12  62.560   5.343   9.073
   92   2HD2  LEU  12          2HD2      LEU  12  61.640   5.117  10.560
   93   3HD2  LEU  12          3HD2      LEU  12  60.867   4.852   8.996
   94    H    ASP  13           H        ASP  13  58.458   3.276  11.316
   95    HA   ASP  13           HA       ASP  13  57.451   0.803  12.524
   96   1HB   ASP  13          1HB       ASP  13  57.379   2.632  14.234
   97   2HB   ASP  13          2HB       ASP  13  56.323   3.541  13.160
   98    H    GLN  14           H        GLN  14  56.456  -0.138  10.856
   99    HA   GLN  14           HA       GLN  14  55.017   1.544   8.929
  100   1HB   GLN  14          1HB       GLN  14  56.063  -1.281   8.700
  101   2HB   GLN  14          2HB       GLN  14  55.030  -0.534   7.495
  102   1HG   GLN  14          1HG       GLN  14  57.171  -0.308   6.641
  103   2HG   GLN  14          2HG       GLN  14  56.816   1.274   7.330
  104   1HE2  GLN  14          1HE2      GLN  14  58.991   1.753   7.497
  105   2HE2  GLN  14          2HE2      GLN  14  60.001   1.047   8.708
  106    H    ASP  15           H        ASP  15  52.879   1.528   8.866
  107    HA   ASP  15           HA       ASP  15  51.466  -0.934   9.605
  108   1HB   ASP  15          1HB       ASP  15  50.912   1.822  10.646
  109   2HB   ASP  15          2HB       ASP  15  49.577   0.702  10.413
  110    H    ASN  16           H        ASN  16  50.352   2.266   8.592
  111    HA   ASN  16           HA       ASN  16  48.826   0.992   6.457
  112   1HB   ASN  16          1HB       ASN  16  48.749   3.812   7.554
  113   2HB   ASN  16          2HB       ASN  16  47.702   3.209   6.273
  114   1HD2  ASN  16          1HD2      ASN  16  48.412   3.157   9.665
  115   2HD2  ASN  16          2HD2      ASN  16  46.967   2.338  10.160
  116    H    GLY  17           H        GLY  17  51.434   0.877   5.826
  117   1HA   GLY  17          1HA       GLY  17  52.659   1.207   3.882
  118   2HA   GLY  17          2HA       GLY  17  51.504   2.442   3.399
  119    H    HIS  18           H        HIS  18  51.702   4.063   5.710
  120    HA   HIS  18           HA       HIS  18  54.154   5.456   5.129
  121   1HB   HIS  18          1HB       HIS  18  51.888   6.015   7.048
  122   2HB   HIS  18          2HB       HIS  18  53.304   7.051   6.904
  123    HD1  HIS  18           HD1      HIS  18  49.972   6.834   5.720
  124    HD2  HIS  18           HD2      HIS  18  53.615   7.852   3.993
  125    HE1  HIS  18           HE1      HIS  18  49.400   8.149   3.651
  126    HE2  HIS  18           HE2      HIS  18  51.624   8.612   2.533
  127    H    ALA  19           H        ALA  19  55.885   5.770   6.483
  128    HA   ALA  19           HA       ALA  19  56.039   3.920   8.769
  129   1HB   ALA  19          1HB       ALA  19  58.277   4.905   7.002
  130   2HB   ALA  19          2HB       ALA  19  57.522   3.314   6.914
  131   3HB   ALA  19          3HB       ALA  19  58.435   3.780   8.351
  132    H    ARG  20           H        ARG  20  55.744   5.064  10.561
  133    HA   ARG  20           HA       ARG  20  56.893   7.749  10.753
  134   1HB   ARG  20          1HB       ARG  20  54.974   6.249  12.540
  135   2HB   ARG  20          2HB       ARG  20  55.653   7.819  12.947
  136   1HG   ARG  20          1HG       ARG  20  53.856   7.173  10.624
  137   2HG   ARG  20          2HG       ARG  20  53.450   8.111  12.061
  138   1HD   ARG  20          1HD       ARG  20  55.331   8.844   9.831
  139   2HD   ARG  20          2HD       ARG  20  53.850   9.665  10.316
  140    HE   ARG  20           HE       ARG  20  56.472   9.929  11.507
  141   1HH1  ARG  20          1HH1      ARG  20  53.030  10.421  11.960
  142   2HH1  ARG  20          2HH1      ARG  20  53.244  11.698  13.117
  143   1HH2  ARG  20          1HH2      ARG  20  56.748  11.618  13.023
  144   2HH2  ARG  20          2HH2      ARG  20  55.350  12.391  13.715
  145    H    CYS  21           H        CYS  21  58.745   8.098  11.800
  146    HA   CYS  21           HA       CYS  21  60.104   5.940  13.090
  147   1HB   CYS  21          1HB       CYS  21  60.697   8.902  12.977
  148   2HB   CYS  21          2HB       CYS  21  61.768   7.709  13.700
  149    H    ARG  22           H        ARG  22  58.706   5.287  14.806
  150    HA   ARG  22           HA       ARG  22  58.077   7.204  16.874
  151   1HB   ARG  22          1HB       ARG  22  57.135   5.257  18.105
  152   2HB   ARG  22          2HB       ARG  22  56.436   5.501  16.516
  153   1HG   ARG  22          1HG       ARG  22  57.524   3.619  15.628
  154   2HG   ARG  22          2HG       ARG  22  58.633   3.514  17.001
  155   1HD   ARG  22          1HD       ARG  22  56.890   2.825  18.463
  156   2HD   ARG  22          2HD       ARG  22  55.652   3.208  17.273
  157    HE   ARG  22           HE       ARG  22  56.630   1.319  15.941
  158   1HH1  ARG  22          1HH1      ARG  22  56.951   1.438  19.427
  159   2HH1  ARG  22          2HH1      ARG  22  56.988  -0.288  19.609
  160   1HH2  ARG  22          1HH2      ARG  22  56.641  -0.945  16.180
  161   2HH2  ARG  22          2HH2      ARG  22  56.784  -1.642  17.766
  162    H    SER  23           H        SER  23  60.513   7.544  16.708
  163    HA   SER  23           HA       SER  23  61.672   6.735  19.181
  164   1HB   SER  23          1HB       SER  23  63.018   5.798  16.626
  165   2HB   SER  23          2HB       SER  23  63.719   5.716  18.238
  166    HG   SER  23           HG       SER  23  61.316   4.548  18.277
  167    H    CYS  24           H        CYS  24  62.522   7.818  15.921
  168    HA   CYS  24           HA       CYS  24  64.079  10.005  17.023
  169   1HB   CYS  24          1HB       CYS  24  64.219  10.200  14.270
  170   2HB   CYS  24          2HB       CYS  24  65.390   9.404  15.315
  171    H    GLY  25           H        GLY  25  61.431   9.618  14.611
  172   1HA   GLY  25          1HA       GLY  25  59.480  11.079  15.423
  173   2HA   GLY  25          2HA       GLY  25  60.640  12.381  15.250
  174    H    GLU  26           H        GLU  26  61.662  10.857  12.762
  175    HA   GLU  26           HA       GLU  26  60.546  12.614  10.923
  176   1HB   GLU  26          1HB       GLU  26  61.806   9.962  10.231
  177   2HB   GLU  26          2HB       GLU  26  61.658  11.360   9.183
  178   1HG   GLU  26          1HG       GLU  26  63.897  11.281   9.902
  179   2HG   GLU  26          2HG       GLU  26  63.131  12.595  10.796
  180    H    PHE  27           H        PHE  27  59.256  12.336   9.090
  181    HA   PHE  27           HA       PHE  27  57.342  10.102   9.199
  182   1HB   PHE  27          1HB       PHE  27  56.141  12.153   9.371
  183   2HB   PHE  27          2HB       PHE  27  57.110  12.914   8.115
  184    HD1  PHE  27           HD1      PHE  27  56.348  12.964   5.932
  185    HD2  PHE  27           HD2      PHE  27  54.659  10.171   8.660
  186    HE1  PHE  27           HE1      PHE  27  54.664  12.347   4.250
  187    HE2  PHE  27           HE2      PHE  27  52.971   9.548   6.985
  188    HZ   PHE  27           HZ       PHE  27  52.972  10.636   4.775
  189    H    ILE  28           H        ILE  28  57.874   8.538   7.814
  190    HA   ILE  28           HA       ILE  28  59.048   9.313   5.225
  191    HB   ILE  28           HB       ILE  28  59.437   6.730   6.758
  192   1HG1  ILE  28          1HG1      ILE  28  61.359   8.984   6.130
  193   2HG1  ILE  28          2HG1      ILE  28  60.667   8.636   7.710
  194   1HG2  ILE  28          1HG2      ILE  28  59.407   6.340   4.352
  195   2HG2  ILE  28          2HG2      ILE  28  61.036   6.142   4.997
  196   3HG2  ILE  28          3HG2      ILE  28  60.609   7.610   4.119
  197   1HD1  ILE  28          1HD1      ILE  28  62.959   7.845   7.534
  198   2HD1  ILE  28          2HD1      ILE  28  62.512   6.828   6.163
  199   3HD1  ILE  28          3HD1      ILE  28  61.837   6.504   7.761
  200    H    GLU  29           H        GLU  29  58.143   8.511   3.378
  201    HA   GLU  29           HA       GLU  29  55.729   6.861   3.732
  202   1HB   GLU  29          1HB       GLU  29  55.170   9.093   2.930
  203   2HB   GLU  29          2HB       GLU  29  56.322   8.933   1.610
  204   1HG   GLU  29          1HG       GLU  29  55.008   7.203   0.595
  205   2HG   GLU  29          2HG       GLU  29  53.917   7.165   1.977
  206    H    MET  30           H        MET  30  55.592   4.997   2.635
  207    HA   MET  30           HA       MET  30  57.720   4.420   0.692
  208   1HB   MET  30          1HB       MET  30  56.158   2.426   2.348
  209   2HB   MET  30          2HB       MET  30  57.510   2.072   1.281
  210   1HG   MET  30          1HG       MET  30  58.964   3.443   2.737
  211   2HG   MET  30          2HG       MET  30  57.604   3.665   3.833
  212   1HE   MET  30          1HE       MET  30  60.339   1.220   2.481
  213   2HE   MET  30          2HE       MET  30  58.865   0.553   1.784
  214   3HE   MET  30          3HE       MET  30  59.737  -0.345   3.026
  215    H    LYS  31           H        LYS  31  57.060   4.286  -1.331
  216    HA   LYS  31           HA       LYS  31  54.271   4.402  -1.981
  217   1HB   LYS  31          1HB       LYS  31  56.823   4.500  -3.502
  218   2HB   LYS  31          2HB       LYS  31  55.382   4.016  -4.381
  219   1HG   LYS  31          1HG       LYS  31  55.678   6.350  -4.684
  220   2HG   LYS  31          2HG       LYS  31  54.289   6.116  -3.625
  221   1HD   LYS  31          1HD       LYS  31  55.601   6.696  -1.692
  222   2HD   LYS  31          2HD       LYS  31  57.074   6.769  -2.665
  223   1HE   LYS  31          1HE       LYS  31  56.314   9.010  -2.300
  224   2HE   LYS  31          2HE       LYS  31  56.023   8.600  -3.990
  225   1HZ   LYS  31          1HZ       LYS  31  53.685   8.016  -3.237
  226   2HZ   LYS  31          2HZ       LYS  31  54.086   9.660  -3.268
  227   3HZ   LYS  31          3HZ       LYS  31  54.052   8.830  -1.791
  228    H    ALA  32           H        ALA  32  52.943   2.812  -2.514
  229    HA   ALA  32           HA       ALA  32  53.948   0.088  -2.669
  230   1HB   ALA  32          1HB       ALA  32  51.110   1.121  -2.729
  231   2HB   ALA  32          2HB       ALA  32  51.965   0.540  -1.300
  232   3HB   ALA  32          3HB       ALA  32  51.597  -0.569  -2.621
  233    H    LEU  33           H        LEU  33  54.833  -0.330  -4.602
  234    HA   LEU  33           HA       LEU  33  53.372   0.528  -7.017
  235   1HB   LEU  33          1HB       LEU  33  56.292  -0.192  -6.768
  236   2HB   LEU  33          2HB       LEU  33  55.494   0.432  -8.197
  237    HG   LEU  33           HG       LEU  33  55.952   1.934  -5.616
  238   1HD1  LEU  33          1HD1      LEU  33  57.153   2.261  -8.359
  239   2HD1  LEU  33          2HD1      LEU  33  57.973   1.626  -6.933
  240   3HD1  LEU  33          3HD1      LEU  33  57.446   3.309  -6.971
  241   1HD2  LEU  33          1HD2      LEU  33  54.672   2.854  -8.189
  242   2HD2  LEU  33          2HD2      LEU  33  55.058   3.875  -6.802
  243   3HD2  LEU  33          3HD2      LEU  33  53.846   2.601  -6.651
  244    H    CYS  34           H        CYS  34  53.494  -0.931  -8.873
  245    HA   CYS  34           HA       CYS  34  53.063  -3.686  -8.142
  246   1HB   CYS  34          1HB       CYS  34  51.709  -2.656  -9.893
  247   2HB   CYS  34          2HB       CYS  34  53.152  -2.299 -10.835
  248    HA   PRO  35           HA       PRO  35  57.464  -4.403  -8.104
  249   1HB   PRO  35          1HB       PRO  35  56.589  -7.243  -8.131
  250   2HB   PRO  35          2HB       PRO  35  57.675  -6.406  -7.017
  251   1HG   PRO  35          1HG       PRO  35  55.210  -7.024  -6.266
  252   2HG   PRO  35          2HG       PRO  35  55.929  -5.466  -5.813
  253   1HD   PRO  35          1HD       PRO  35  53.923  -6.079  -7.951
  254   2HD   PRO  35          2HD       PRO  35  53.993  -4.701  -6.832
  255    H    ASP  36           H        ASP  36  55.323  -5.814 -10.479
  256    HA   ASP  36           HA       ASP  36  57.408  -7.079 -11.980
  257   1HB   ASP  36          1HB       ASP  36  55.743  -7.983 -13.222
  258   2HB   ASP  36          2HB       ASP  36  54.725  -7.415 -11.905
  259    H    CYS  37           H        CYS  37  56.110  -3.880 -11.859
  260    HA   CYS  37           HA       CYS  37  57.700  -3.168 -14.224
  261   1HB   CYS  37          1HB       CYS  37  55.818  -1.561 -14.829
  262   2HB   CYS  37          2HB       CYS  37  55.527  -3.272 -15.121
  263    H    HIS  38           H        HIS  38  56.904  -2.503 -11.026
  264    HA   HIS  38           HA       HIS  38  57.333  -0.849  -9.557
  265   1HB   HIS  38          1HB       HIS  38  59.435  -0.338 -11.634
  266   2HB   HIS  38          2HB       HIS  38  59.257   0.757 -10.265
  267    HD1  HIS  38           HD1      HIS  38  60.611  -2.537 -11.228
  268    HD2  HIS  38           HD2      HIS  38  59.760  -0.467  -7.719
  269    HE1  HIS  38           HE1      HIS  38  61.793  -3.791  -9.390
  270    HE2  HIS  38           HE2      HIS  38  61.050  -2.661  -7.256
  271    H    GLN  39           H        GLN  39  55.371  -0.446 -11.783
  272    HA   GLN  39           HA       GLN  39  55.260   2.470 -11.864
  273   1HB   GLN  39          1HB       GLN  39  53.453   0.417 -13.166
  274   2HB   GLN  39          2HB       GLN  39  53.381   2.154 -13.419
  275   1HG   GLN  39          1HG       GLN  39  55.606   0.294 -14.227
  276   2HG   GLN  39          2HG       GLN  39  54.468   1.120 -15.288
  277   1HE2  GLN  39          1HE2      GLN  39  57.339   1.399 -13.400
  278   2HE2  GLN  39          2HE2      GLN  39  57.789   2.987 -13.920
  279    HA   PRO  40           HA       PRO  40  52.544   2.960  -8.473
  280   1HB   PRO  40          1HB       PRO  40  50.841   4.664 -10.210
  281   2HB   PRO  40          2HB       PRO  40  51.612   5.041  -8.666
  282   1HG   PRO  40          1HG       PRO  40  52.588   6.021 -10.940
  283   2HG   PRO  40          2HG       PRO  40  53.671   5.471  -9.646
  284   1HD   PRO  40          1HD       PRO  40  52.929   4.113 -12.207
  285   2HD   PRO  40          2HD       PRO  40  54.498   4.183 -11.379
  286    H    LEU  41           H        LEU  41  50.844   1.985  -7.594
  287    HA   LEU  41           HA       LEU  41  49.075   0.424  -9.303
  288   1HB   LEU  41          1HB       LEU  41  49.614   0.447  -6.339
  289   2HB   LEU  41          2HB       LEU  41  48.329  -0.505  -7.053
  290    HG   LEU  41           HG       LEU  41  51.198  -0.818  -7.906
  291   1HD1  LEU  41          1HD1      LEU  41  49.729  -2.245  -5.695
  292   2HD1  LEU  41          2HD1      LEU  41  51.167  -1.237  -5.536
  293   3HD1  LEU  41          3HD1      LEU  41  51.258  -2.776  -6.391
  294   1HD2  LEU  41          1HD2      LEU  41  49.519  -1.706  -9.419
  295   2HD2  LEU  41          2HD2      LEU  41  48.764  -2.588  -8.091
  296   3HD2  LEU  41          3HD2      LEU  41  50.388  -3.022  -8.627
  297    H    GLN  42           H        GLN  42  46.820   0.494  -9.126
  298    HA   GLN  42           HA       GLN  42  45.730   3.026  -8.155
  299   1HB   GLN  42          1HB       GLN  42  45.210   2.179 -10.475
  300   2HB   GLN  42          2HB       GLN  42  44.339   0.848  -9.729
  301   1HG   GLN  42          1HG       GLN  42  42.753   2.358  -8.750
  302   2HG   GLN  42          2HG       GLN  42  43.676   3.751  -9.310
  303   1HE2  GLN  42          1HE2      GLN  42  42.006   4.595 -10.510
  304   2HE2  GLN  42          2HE2      GLN  42  41.450   3.875 -11.984
  305    H    VAL  43           H        VAL  43  45.000   3.062  -6.152
  306    HA   VAL  43           HA       VAL  43  44.663   0.642  -4.652
  307    HB   VAL  43           HB       VAL  43  44.084   3.493  -3.821
  308   1HG1  VAL  43          1HG1      VAL  43  42.980   1.874  -2.381
  309   2HG1  VAL  43          2HG1      VAL  43  44.324   2.638  -1.531
  310   3HG1  VAL  43          3HG1      VAL  43  44.498   1.003  -2.168
  311   1HG2  VAL  43          1HG2      VAL  43  46.298   3.428  -2.768
  312   2HG2  VAL  43          2HG2      VAL  43  46.402   3.220  -4.516
  313   3HG2  VAL  43          3HG2      VAL  43  46.572   1.825  -3.451
  314    H    LEU  44           H        LEU  44  42.914  -0.535  -5.219
  315    HA   LEU  44           HA       LEU  44  40.308   0.726  -5.472
  316   1HB   LEU  44          1HB       LEU  44  41.055  -2.202  -5.530
  317   2HB   LEU  44          2HB       LEU  44  39.492  -1.532  -5.952
  318    HG   LEU  44           HG       LEU  44  42.075  -1.127  -7.460
  319   1HD1  LEU  44          1HD1      LEU  44  39.550  -2.621  -8.152
  320   2HD1  LEU  44          2HD1      LEU  44  41.113  -3.337  -7.759
  321   3HD1  LEU  44          3HD1      LEU  44  40.927  -2.377  -9.226
  322   1HD2  LEU  44          1HD2      LEU  44  40.707   0.068  -9.096
  323   2HD2  LEU  44          2HD2      LEU  44  40.706   0.881  -7.531
  324   3HD2  LEU  44          3HD2      LEU  44  39.309  -0.073  -8.028
  325    H    LYS  45           H        LYS  45  39.930   1.522  -3.396
  326    HA   LYS  45           HA       LYS  45  39.731  -0.513  -1.279
  327   1HB   LYS  45          1HB       LYS  45  41.365   1.259  -0.813
  328   2HB   LYS  45          2HB       LYS  45  40.117   2.476  -1.032
  329   1HG   LYS  45          1HG       LYS  45  38.949   1.714   0.917
  330   2HG   LYS  45          2HG       LYS  45  40.049   0.345   1.089
  331   1HD   LYS  45          1HD       LYS  45  41.897   1.832   1.544
  332   2HD   LYS  45          2HD       LYS  45  40.882   3.241   1.237
  333   1HE   LYS  45          1HE       LYS  45  40.330   1.228   3.409
  334   2HE   LYS  45          2HE       LYS  45  41.268   2.699   3.660
  335   1HZ   LYS  45          1HZ       LYS  45  39.380   4.021   3.083
  336   2HZ   LYS  45          2HZ       LYS  45  38.905   2.917   4.279
  337   3HZ   LYS  45          3HZ       LYS  45  38.470   2.655   2.661
  338    H    ALA  46           H        ALA  46  37.707  -1.172  -1.010
  339    HA   ALA  46           HA       ALA  46  35.486   0.580  -1.679
  340   1HB   ALA  46          1HB       ALA  46  34.084  -1.376  -1.312
  341   2HB   ALA  46          2HB       ALA  46  35.470  -2.270  -0.688
  342   3HB   ALA  46          3HB       ALA  46  35.432  -1.772  -2.379
  343    H    CYS  47           H        CYS  47  36.633  -1.233   1.149
  344    HA   CYS  47           HA       CYS  47  35.895   0.881   2.926
  345   1HB   CYS  47          1HB       CYS  47  33.688  -0.169   2.639
  346   2HB   CYS  47          2HB       CYS  47  34.363  -1.728   3.095
  347    HG   CYS  47           HG       CYS  47  35.168  -0.407   5.686
  348    H    GLY  48           H        GLY  48  36.021  -2.636   3.411
  349   1HA   GLY  48          1HA       GLY  48  38.420  -2.232   5.084
  350   2HA   GLY  48          2HA       GLY  48  37.313  -3.595   5.207
  351    H    ALA  49           H        ALA  49  37.273  -3.567   2.167
  352    HA   ALA  49           HA       ALA  49  39.637  -5.240   1.807
  353   1HB   ALA  49          1HB       ALA  49  37.452  -6.153   1.156
  354   2HB   ALA  49          2HB       ALA  49  38.548  -6.025  -0.220
  355   3HB   ALA  49          3HB       ALA  49  37.258  -4.841  -0.006
  356    H    VAL  50           H        VAL  50  41.240  -4.784   0.392
  357    HA   VAL  50           HA       VAL  50  41.013  -2.402  -1.283
  358    HB   VAL  50           HB       VAL  50  42.087  -1.556   0.708
  359   1HG1  VAL  50          1HG1      VAL  50  44.091  -3.784   0.384
  360   2HG1  VAL  50          2HG1      VAL  50  42.890  -3.635   1.666
  361   3HG1  VAL  50          3HG1      VAL  50  44.204  -2.465   1.550
  362   1HG2  VAL  50          1HG2      VAL  50  42.915  -0.693  -1.405
  363   2HG2  VAL  50          2HG2      VAL  50  44.105  -1.992  -1.490
  364   3HG2  VAL  50          3HG2      VAL  50  44.220  -0.773  -0.220
  365    H    ASP  51           H        ASP  51  41.694  -2.815  -3.284
  366    HA   ASP  51           HA       ASP  51  43.420  -5.176  -3.679
  367   1HB   ASP  51          1HB       ASP  51  41.334  -3.999  -5.534
  368   2HB   ASP  51          2HB       ASP  51  42.390  -5.348  -5.934
  369    H    TYR  52           H        TYR  52  45.276  -4.933  -4.781
  370    HA   TYR  52           HA       TYR  52  46.030  -2.249  -5.608
  371   1HB   TYR  52          1HB       TYR  52  47.608  -4.824  -5.448
  372   2HB   TYR  52          2HB       TYR  52  48.276  -3.288  -5.983
  373    HD1  TYR  52           HD1      TYR  52  47.665  -5.400  -3.202
  374    HD2  TYR  52           HD2      TYR  52  48.133  -1.320  -4.307
  375    HE1  TYR  52           HE1      TYR  52  48.209  -4.837  -0.873
  376    HE2  TYR  52           HE2      TYR  52  48.680  -0.746  -1.980
  377    HH   TYR  52           HH       TYR  52  49.477  -3.031   0.333
  378    H    PHE  53           H        PHE  53  45.188  -1.750  -7.560
  379    HA   PHE  53           HA       PHE  53  45.260  -3.805  -9.650
  380   1HB   PHE  53          1HB       PHE  53  43.094  -2.708  -9.213
  381   2HB   PHE  53          2HB       PHE  53  43.815  -1.146  -9.579
  382    HD1  PHE  53           HD1      PHE  53  43.724  -0.321 -11.729
  383    HD2  PHE  53           HD2      PHE  53  43.197  -4.492 -11.079
  384    HE1  PHE  53           HE1      PHE  53  43.148  -0.614 -14.099
  385    HE2  PHE  53           HE2      PHE  53  42.622  -4.793 -13.451
  386    HZ   PHE  53           HZ       PHE  53  42.599  -2.850 -14.964
  387    H    CYS  54           H        CYS  54  46.967  -3.765 -10.971
  388    HA   CYS  54           HA       CYS  54  48.559  -1.376 -11.250
  389   1HB   CYS  54          1HB       CYS  54  49.597  -3.627 -11.280
  390   2HB   CYS  54          2HB       CYS  54  48.731  -3.994 -12.767
  391    H    GLN  55           H        GLN  55  47.152   0.128 -12.117
  392    HA   GLN  55           HA       GLN  55  45.647  -0.373 -14.477
  393   1HB   GLN  55          1HB       GLN  55  45.051   1.339 -12.735
  394   2HB   GLN  55          2HB       GLN  55  46.391   2.317 -13.320
  395   1HG   GLN  55          1HG       GLN  55  44.427   1.404 -15.329
  396   2HG   GLN  55          2HG       GLN  55  43.886   2.610 -14.174
  397   1HE2  GLN  55          1HE2      GLN  55  46.475   3.865 -13.908
  398   2HE2  GLN  55          2HE2      GLN  55  46.744   4.752 -15.370
  399    H    HIS  56           H        HIS  56  46.783  -0.992 -16.099
  400    HA   HIS  56           HA       HIS  56  48.287   0.593 -17.784
  401   1HB   HIS  56          1HB       HIS  56  49.942  -0.807 -15.710
  402   2HB   HIS  56          2HB       HIS  56  50.533  -0.794 -17.365
  403    HD1  HIS  56           HD1      HIS  56  49.934   2.052 -18.227
  404    HD2  HIS  56           HD2      HIS  56  51.432   1.082 -14.467
  405    HE1  HIS  56           HE1      HIS  56  51.039   4.141 -17.376
  406    HE2  HIS  56           HE2      HIS  56  51.687   3.605 -15.002
  407    H    GLY  57           H        GLY  57  47.615  -2.513 -16.391
  408   1HA   GLY  57          1HA       GLY  57  46.406  -3.995 -18.013
  409   2HA   GLY  57          2HA       GLY  57  47.783  -3.730 -19.073
  410    H    HIS  58           H        HIS  58  47.563  -4.489 -15.587
  411    HA   HIS  58           HA       HIS  58  49.004  -6.988 -16.164
  412   1HB   HIS  58          1HB       HIS  58  49.628  -5.011 -13.971
  413   2HB   HIS  58          2HB       HIS  58  50.190  -6.677 -13.937
  414    HD2  HIS  58           HD2      HIS  58  51.027  -6.664 -17.225
  415    HE1  HIS  58           HE1      HIS  58  53.797  -3.731 -15.922
  416    HE2  HIS  58           HE2      HIS  58  53.267  -5.456 -17.677
  417    H    GLY  59           H        GLY  59  46.627  -5.301 -14.263
  418   1HA   GLY  59          1HA       GLY  59  44.680  -6.470 -13.529
  419   2HA   GLY  59          2HA       GLY  59  45.660  -7.915 -13.347
  420    H    LEU  60           H        LEU  60  44.846  -8.211 -11.249
  421    HA   LEU  60           HA       LEU  60  45.341  -6.142  -9.259
  422   1HB   LEU  60          1HB       LEU  60  43.968  -8.821  -9.080
  423   2HB   LEU  60          2HB       LEU  60  44.137  -7.707  -7.736
  424    HG   LEU  60           HG       LEU  60  42.635  -7.120 -10.290
  425   1HD1  LEU  60          1HD1      LEU  60  41.529  -8.837  -8.965
  426   2HD1  LEU  60          2HD1      LEU  60  40.631  -7.321  -8.907
  427   3HD1  LEU  60          3HD1      LEU  60  41.625  -7.810  -7.535
  428   1HD2  LEU  60          1HD2      LEU  60  43.559  -5.116  -9.257
  429   2HD2  LEU  60          2HD2      LEU  60  42.855  -5.577  -7.708
  430   3HD2  LEU  60          3HD2      LEU  60  41.807  -5.167  -9.065
  431    H    ILE  61           H        ILE  61  46.791  -6.239  -7.678
  432    HA   ILE  61           HA       ILE  61  48.608  -8.560  -7.590
  433    HB   ILE  61           HB       ILE  61  49.174  -5.693  -6.794
  434   1HG1  ILE  61          1HG1      ILE  61  48.937  -5.938  -9.231
  435   2HG1  ILE  61          2HG1      ILE  61  50.604  -5.595  -8.784
  436   1HG2  ILE  61          1HG2      ILE  61  51.028  -8.064  -6.982
  437   2HG2  ILE  61          2HG2      ILE  61  50.465  -7.298  -5.497
  438   3HG2  ILE  61          3HG2      ILE  61  51.504  -6.407  -6.608
  439   1HD1  ILE  61          1HD1      ILE  61  50.485  -7.271 -10.532
  440   2HD1  ILE  61          2HD1      ILE  61  49.486  -8.296  -9.501
  441   3HD1  ILE  61          3HD1      ILE  61  51.158  -7.957  -9.053
  442    H    SER  62           H        SER  62  49.031  -9.504  -5.628
  443    HA   SER  62           HA       SER  62  47.160  -9.171  -3.527
  444   1HB   SER  62          1HB       SER  62  49.798 -10.651  -3.439
  445   2HB   SER  62          2HB       SER  62  48.382 -10.932  -2.425
  446    HG   SER  62           HG       SER  62  47.272 -11.697  -4.191
  447    H    LYS  63           H        LYS  63  47.766  -8.771  -1.244
  448    HA   LYS  63           HA       LYS  63  49.173  -6.269  -1.063
  449   1HB   LYS  63          1HB       LYS  63  47.077  -6.764   0.200
  450   2HB   LYS  63          2HB       LYS  63  47.967  -7.939   1.155
  451   1HG   LYS  63          1HG       LYS  63  49.312  -6.244   2.137
  452   2HG   LYS  63          2HG       LYS  63  48.700  -5.025   1.017
  453   1HD   LYS  63          1HD       LYS  63  46.445  -5.316   1.986
  454   2HD   LYS  63          2HD       LYS  63  47.117  -6.462   3.149
  455   1HE   LYS  63          1HE       LYS  63  48.082  -3.623   2.863
  456   2HE   LYS  63          2HE       LYS  63  46.812  -4.105   3.987
  457   1HZ   LYS  63          1HZ       LYS  63  49.134  -3.964   4.907
  458   2HZ   LYS  63          2HZ       LYS  63  49.498  -5.359   4.011
  459   3HZ   LYS  63          3HZ       LYS  63  48.302  -5.408   5.213
  460    H    LYS  64           H        LYS  64  49.849  -9.595  -0.431
  461    HA   LYS  64           HA       LYS  64  52.271  -9.066   1.068
  462   1HB   LYS  64          1HB       LYS  64  51.218 -11.606  -0.196
  463   2HB   LYS  64          2HB       LYS  64  52.638 -11.511   0.835
  464   1HG   LYS  64          1HG       LYS  64  51.279 -10.853   2.716
  465   2HG   LYS  64          2HG       LYS  64  49.840 -10.805   1.691
  466   1HD   LYS  64          1HD       LYS  64  49.990 -13.176   1.291
  467   2HD   LYS  64          2HD       LYS  64  51.521 -13.264   2.162
  468   1HE   LYS  64          1HE       LYS  64  50.384 -12.605   4.224
  469   2HE   LYS  64          2HE       LYS  64  48.854 -12.510   3.353
  470   1HZ   LYS  64          1HZ       LYS  64  49.259 -14.619   4.623
  471   2HZ   LYS  64          2HZ       LYS  64  50.469 -14.993   3.496
  472   3HZ   LYS  64          3HZ       LYS  64  48.861 -14.829   2.987
  473    H    ARG  65           H        ARG  65  51.432  -8.734  -2.100
  474    HA   ARG  65           HA       ARG  65  54.044  -9.641  -3.128
  475   1HB   ARG  65          1HB       ARG  65  51.936 -10.921  -3.808
  476   2HB   ARG  65          2HB       ARG  65  51.475  -9.484  -4.704
  477   1HG   ARG  65          1HG       ARG  65  53.420  -9.689  -6.114
  478   2HG   ARG  65          2HG       ARG  65  54.002 -11.055  -5.159
  479   1HD   ARG  65          1HD       ARG  65  51.466 -10.949  -6.789
  480   2HD   ARG  65          2HD       ARG  65  52.927 -11.859  -7.179
  481    HE   ARG  65           HE       ARG  65  52.290 -12.845  -4.763
  482   1HH1  ARG  65          1HH1      ARG  65  50.353 -12.349  -7.643
  483   2HH1  ARG  65          2HH1      ARG  65  49.282 -13.674  -7.313
  484   1HH2  ARG  65          1HH2      ARG  65  50.867 -14.568  -4.302
  485   2HH2  ARG  65          2HH2      ARG  65  49.575 -14.941  -5.408
  486    H    VAL  66           H        VAL  66  53.177  -7.005  -2.069
  487    HA   VAL  66           HA       VAL  66  53.201  -5.341  -4.478
  488    HB   VAL  66           HB       VAL  66  51.451  -4.899  -2.790
  489   1HG1  VAL  66          1HG1      VAL  66  52.050  -3.876  -0.648
  490   2HG1  VAL  66          2HG1      VAL  66  53.751  -4.195  -0.989
  491   3HG1  VAL  66          3HG1      VAL  66  52.625  -5.537  -0.791
  492   1HG2  VAL  66          1HG2      VAL  66  51.765  -2.475  -2.609
  493   2HG2  VAL  66          2HG2      VAL  66  52.167  -3.076  -4.218
  494   3HG2  VAL  66          3HG2      VAL  66  53.454  -2.668  -3.084
  495    H    GLU  67           H        GLU  67  54.685  -3.574  -4.664
  496    HA   GLU  67           HA       GLU  67  57.264  -4.082  -3.366
  497   1HB   GLU  67          1HB       GLU  67  57.359  -3.978  -5.776
  498   2HB   GLU  67          2HB       GLU  67  56.476  -2.460  -5.797
  499   1HG   GLU  67          1HG       GLU  67  58.673  -1.847  -6.204
  500   2HG   GLU  67          2HG       GLU  67  58.447  -1.499  -4.493
  501    H    PHE  68           H        PHE  68  57.885  -2.822  -1.715
  502    HA   PHE  68           HA       PHE  68  56.630  -0.171  -1.443
  503   1HB   PHE  68          1HB       PHE  68  57.930  -1.954   0.621
  504   2HB   PHE  68          2HB       PHE  68  57.468  -0.287   0.933
  505    HD1  PHE  68           HD1      PHE  68  56.468  -3.585   1.271
  506    HD2  PHE  68           HD2      PHE  68  54.947   0.253   0.241
  507    HE1  PHE  68           HE1      PHE  68  54.199  -4.325   1.869
  508    HE2  PHE  68           HE2      PHE  68  52.676  -0.482   0.839
  509    HZ   PHE  68           HZ       PHE  68  52.301  -2.773   1.657
  510    H    VAL  69           H        VAL  69  57.845   1.401  -2.239
  511    HA   VAL  69           HA       VAL  69  60.767   1.217  -1.894
  512    HB   VAL  69           HB       VAL  69  60.984   2.773  -3.797
  513   1HG1  VAL  69          1HG1      VAL  69  59.411   0.269  -4.393
  514   2HG1  VAL  69          2HG1      VAL  69  61.159   0.390  -4.198
  515   3HG1  VAL  69          3HG1      VAL  69  60.369   1.176  -5.564
  516   1HG2  VAL  69          1HG2      VAL  69  59.066   3.237  -5.237
  517   2HG2  VAL  69          2HG2      VAL  69  58.816   3.886  -3.616
  518   3HG2  VAL  69          3HG2      VAL  69  58.005   2.398  -4.105
  519    H    LEU  70           H        LEU  70  61.890   2.939  -1.067
  520    HA   LEU  70           HA       LEU  70  60.446   4.698   0.665
  521   1HB   LEU  70          1HB       LEU  70  63.366   4.640  -0.105
  522   2HB   LEU  70          2HB       LEU  70  62.690   5.636   1.169
  523    HG   LEU  70           HG       LEU  70  62.647   2.616   1.153
  524   1HD1  LEU  70          1HD1      LEU  70  64.426   4.531   2.657
  525   2HD1  LEU  70          2HD1      LEU  70  64.923   3.447   1.357
  526   3HD1  LEU  70          3HD1      LEU  70  64.364   2.785   2.893
  527   1HD2  LEU  70          1HD2      LEU  70  61.949   4.610   3.308
  528   2HD2  LEU  70          2HD2      LEU  70  61.969   2.855   3.487
  529   3HD2  LEU  70          3HD2      LEU  70  60.803   3.618   2.405
  530    H    ALA  71           H        ALA  71  59.872   6.776   0.394
  531    HA   ALA  71           HA       ALA  71  60.330   8.018  -2.192
  532   1HB   ALA  71          1HB       ALA  71  58.094   8.120  -1.219
  533   2HB   ALA  71          2HB       ALA  71  58.774   9.738  -1.406
  534   3HB   ALA  71          3HB       ALA  71  58.735   8.976   0.185
  Start of MODEL   13
    1    H    MET   1           H        MET   1  65.123  -8.801   5.021
    2    HA   MET   1           HA       MET   1  63.998  -6.968   4.007
    3   1HB   MET   1          1HB       MET   1  62.341  -8.316   6.144
    4   2HB   MET   1          2HB       MET   1  61.685  -7.443   4.767
    5   1HG   MET   1          1HG       MET   1  62.885  -9.056   3.283
    6   2HG   MET   1          2HG       MET   1  63.293  -9.981   4.726
    7   1HE   MET   1          1HE       MET   1  61.434 -11.071   6.341
    8   2HE   MET   1          2HE       MET   1  59.701 -10.976   6.027
    9   3HE   MET   1          3HE       MET   1  60.601  -9.521   6.452
   10    H    GLU   2           H        GLU   2  63.652  -6.795   7.571
   11    HA   GLU   2           HA       GLU   2  62.234  -4.411   7.668
   12   1HB   GLU   2          1HB       GLU   2  64.177  -5.562   9.666
   13   2HB   GLU   2          2HB       GLU   2  63.208  -4.134   9.983
   14   1HG   GLU   2          1HG       GLU   2  62.015  -5.843  10.984
   15   2HG   GLU   2          2HG       GLU   2  61.193  -5.620   9.441
   16    H    LEU   3           H        LEU   3  62.771  -2.572   6.745
   17    HA   LEU   3           HA       LEU   3  65.482  -1.628   6.600
   18   1HB   LEU   3          1HB       LEU   3  62.826  -0.380   5.916
   19   2HB   LEU   3          2HB       LEU   3  64.340   0.490   5.777
   20    HG   LEU   3           HG       LEU   3  63.695  -2.054   4.283
   21   1HD1  LEU   3          1HD1      LEU   3  63.687   0.809   3.337
   22   2HD1  LEU   3          2HD1      LEU   3  62.268  -0.214   3.556
   23   3HD1  LEU   3          3HD1      LEU   3  63.463  -0.617   2.324
   24   1HD2  LEU   3          1HD2      LEU   3  65.682  -1.473   2.972
   25   2HD2  LEU   3          2HD2      LEU   3  66.077  -1.726   4.671
   26   3HD2  LEU   3          3HD2      LEU   3  65.969  -0.088   4.026
   27    H    HIS   4           H        HIS   4  66.256   0.285   7.614
   28    HA   HIS   4           HA       HIS   4  64.891   0.894  10.151
   29   1HB   HIS   4          1HB       HIS   4  67.857   1.069   9.559
   30   2HB   HIS   4          2HB       HIS   4  67.085   1.416  11.103
   31    HD1  HIS   4           HD1      HIS   4  68.943  -1.122   9.538
   32    HD2  HIS   4           HD2      HIS   4  65.559  -1.121  11.958
   33    HE1  HIS   4           HE1      HIS   4  68.780  -3.453  10.481
   34    HE2  HIS   4           HE2      HIS   4  66.614  -3.481  11.770
   35    H    CYS   5           H        CYS   5  65.375   3.134  10.951
   36    HA   CYS   5           HA       CYS   5  64.762   4.961   8.773
   37   1HB   CYS   5          1HB       CYS   5  63.645   4.856  11.118
   38   2HB   CYS   5          2HB       CYS   5  65.077   5.703  11.681
   39    HA   PRO   6           HA       PRO   6  69.135   5.152   8.095
   40   1HB   PRO   6          1HB       PRO   6  68.379   7.711   6.756
   41   2HB   PRO   6          2HB       PRO   6  69.407   6.397   6.173
   42   1HG   PRO   6          1HG       PRO   6  66.916   6.629   5.296
   43   2HG   PRO   6          2HG       PRO   6  67.596   5.032   5.662
   44   1HD   PRO   6          1HD       PRO   6  65.628   6.655   7.203
   45   2HD   PRO   6          2HD       PRO   6  65.756   4.894   7.035
   46    H    GLN   7           H        GLN   7  67.533   8.151   9.143
   47    HA   GLN   7           HA       GLN   7  70.023   9.394   9.806
   48   1HB   GLN   7          1HB       GLN   7  67.238  10.277  10.566
   49   2HB   GLN   7          2HB       GLN   7  68.693  11.264  10.568
   50   1HG   GLN   7          1HG       GLN   7  67.231  10.141   8.195
   51   2HG   GLN   7          2HG       GLN   7  67.440  11.833   8.639
   52   1HE2  GLN   7          1HE2      GLN   7  69.488  12.802   8.350
   53   2HE2  GLN   7          2HE2      GLN   7  70.645  12.133   7.245
   54    H    CYS   8           H        CYS   8  67.392   7.959  11.719
   55    HA   CYS   8           HA       CYS   8  68.935   8.519  14.159
   56   1HB   CYS   8          1HB       CYS   8  66.789   8.128  15.343
   57   2HB   CYS   8          2HB       CYS   8  66.693   9.438  14.168
   58    H    GLN   9           H        GLN   9  68.408   6.070  12.046
   59    HA   GLN   9           HA       GLN   9  68.369   3.817  12.047
   60   1HB   GLN   9          1HB       GLN   9  70.362   4.298  14.243
   61   2HB   GLN   9          2HB       GLN   9  70.079   2.742  13.475
   62   1HG   GLN   9          1HG       GLN   9  70.937   5.218  12.004
   63   2HG   GLN   9          2HG       GLN   9  72.040   3.974  12.588
   64   1HE2  GLN   9          1HE2      GLN   9  72.757   3.484  10.537
   65   2HE2  GLN   9          2HE2      GLN   9  71.778   2.622   9.389
   66    H    HIS  10           H        HIS  10  66.158   3.934  12.791
   67    HA   HIS  10           HA       HIS  10  65.877   2.182  15.110
   68   1HB   HIS  10          1HB       HIS  10  64.545   4.817  14.705
   69   2HB   HIS  10          2HB       HIS  10  63.563   3.509  15.354
   70    HD1  HIS  10           HD1      HIS  10  66.965   5.072  16.155
   71    HD2  HIS  10           HD2      HIS  10  63.658   3.392  18.031
   72    HE1  HIS  10           HE1      HIS  10  67.377   5.336  18.619
   73    HE2  HIS  10           HE2      HIS  10  65.276   4.490  19.717
   74    H    VAL  11           H        VAL  11  63.664   1.107  15.043
   75    HA   VAL  11           HA       VAL  11  63.446  -0.177  12.547
   76    HB   VAL  11           HB       VAL  11  62.878  -1.311  14.629
   77   1HG1  VAL  11          1HG1      VAL  11  60.496   0.533  14.740
   78   2HG1  VAL  11          2HG1      VAL  11  61.866   0.522  15.852
   79   3HG1  VAL  11          3HG1      VAL  11  60.768  -0.856  15.792
   80   1HG2  VAL  11          1HG2      VAL  11  60.542  -1.116  12.734
   81   2HG2  VAL  11          2HG2      VAL  11  60.803  -2.407  13.907
   82   3HG2  VAL  11          3HG2      VAL  11  61.935  -2.184  12.573
   83    H    LEU  12           H        LEU  12  62.331   0.270  10.784
   84    HA   LEU  12           HA       LEU  12  60.155   2.225  10.884
   85   1HB   LEU  12          1HB       LEU  12  61.583   0.898   8.574
   86   2HB   LEU  12          2HB       LEU  12  60.172   1.918   8.374
   87    HG   LEU  12           HG       LEU  12  62.815   2.820   9.524
   88   1HD1  LEU  12          1HD1      LEU  12  62.969   2.315   7.141
   89   2HD1  LEU  12          2HD1      LEU  12  63.053   4.054   7.425
   90   3HD1  LEU  12          3HD1      LEU  12  61.560   3.328   6.827
   91   1HD2  LEU  12          1HD2      LEU  12  60.919   4.056  10.432
   92   2HD2  LEU  12          2HD2      LEU  12  60.326   4.366   8.801
   93   3HD2  LEU  12          3HD2      LEU  12  61.856   5.064   9.331
   94    H    ASP  13           H        ASP  13  58.378   1.215  11.653
   95    HA   ASP  13           HA       ASP  13  57.867  -1.542  11.322
   96   1HB   ASP  13          1HB       ASP  13  56.193   0.769  12.259
   97   2HB   ASP  13          2HB       ASP  13  55.489  -0.832  12.059
   98    H    GLN  14           H        GLN  14  57.567  -2.409   9.362
   99    HA   GLN  14           HA       GLN  14  55.968  -1.143   7.336
  100   1HB   GLN  14          1HB       GLN  14  56.912  -4.014   7.563
  101   2HB   GLN  14          2HB       GLN  14  56.091  -3.340   6.166
  102   1HG   GLN  14          1HG       GLN  14  58.305  -3.311   5.534
  103   2HG   GLN  14          2HG       GLN  14  58.043  -1.664   6.101
  104   1HE2  GLN  14          1HE2      GLN  14  60.227  -1.374   6.500
  105   2HE2  GLN  14          2HE2      GLN  14  61.004  -2.081   7.872
  106    H    ASP  15           H        ASP  15  53.939  -0.745   8.114
  107    HA   ASP  15           HA       ASP  15  52.453  -3.036   9.198
  108   1HB   ASP  15          1HB       ASP  15  52.558  -1.071  10.673
  109   2HB   ASP  15          2HB       ASP  15  51.839  -0.079   9.411
  110    H    ASN  16           H        ASN  16  51.006  -0.161   7.833
  111    HA   ASN  16           HA       ASN  16  50.120  -1.686   5.493
  112   1HB   ASN  16          1HB       ASN  16  48.349  -0.218   7.449
  113   2HB   ASN  16          2HB       ASN  16  47.835  -0.573   5.804
  114   1HD2  ASN  16          1HD2      ASN  16  48.569  -1.879   8.930
  115   2HD2  ASN  16          2HD2      ASN  16  47.897  -3.458   8.647
  116    H    GLY  17           H        GLY  17  50.828  -0.597   3.798
  117   1HA   GLY  17          1HA       GLY  17  50.580   1.154   2.254
  118   2HA   GLY  17          2HA       GLY  17  50.022   2.194   3.554
  119    H    HIS  18           H        HIS  18  51.850   2.608   5.272
  120    HA   HIS  18           HA       HIS  18  54.310   3.213   3.765
  121   1HB   HIS  18          1HB       HIS  18  52.891   5.111   5.649
  122   2HB   HIS  18          2HB       HIS  18  54.418   5.423   4.838
  123    HD1  HIS  18           HD1      HIS  18  53.508   4.399   1.973
  124    HD2  HIS  18           HD2      HIS  18  51.388   7.033   4.400
  125    HE1  HIS  18           HE1      HIS  18  52.049   5.729   0.424
  126    HE2  HIS  18           HE2      HIS  18  50.614   7.143   1.931
  127    H    ALA  19           H        ALA  19  56.095   3.998   5.336
  128    HA   ALA  19           HA       ALA  19  56.214   2.055   7.521
  129   1HB   ALA  19          1HB       ALA  19  58.627   2.416   7.473
  130   2HB   ALA  19          2HB       ALA  19  58.427   3.671   6.250
  131   3HB   ALA  19          3HB       ALA  19  58.027   1.996   5.869
  132    H    ARG  20           H        ARG  20  56.824   2.658   9.617
  133    HA   ARG  20           HA       ARG  20  56.665   5.539  10.200
  134   1HB   ARG  20          1HB       ARG  20  55.294   3.378  11.813
  135   2HB   ARG  20          2HB       ARG  20  55.197   5.114  12.075
  136   1HG   ARG  20          1HG       ARG  20  54.004   5.403   9.995
  137   2HG   ARG  20          2HG       ARG  20  54.177   3.687   9.627
  138   1HD   ARG  20          1HD       ARG  20  51.994   3.926  10.464
  139   2HD   ARG  20          2HD       ARG  20  52.929   3.249  11.795
  140    HE   ARG  20           HE       ARG  20  52.266   6.121  11.599
  141   1HH1  ARG  20          1HH1      ARG  20  52.519   3.137  13.428
  142   2HH1  ARG  20          2HH1      ARG  20  52.052   3.876  14.936
  143   1HH2  ARG  20          1HH2      ARG  20  51.625   7.087  13.565
  144   2HH2  ARG  20          2HH2      ARG  20  51.503   6.113  15.001
  145    H    CYS  21           H        CYS  21  58.225   6.248  11.547
  146    HA   CYS  21           HA       CYS  21  59.835   4.241  12.967
  147   1HB   CYS  21          1HB       CYS  21  60.978   5.886  11.383
  148   2HB   CYS  21          2HB       CYS  21  60.548   7.144  12.528
  149    H    ARG  22           H        ARG  22  58.661   3.927  14.802
  150    HA   ARG  22           HA       ARG  22  57.458   6.006  16.309
  151   1HB   ARG  22          1HB       ARG  22  57.469   4.144  18.132
  152   2HB   ARG  22          2HB       ARG  22  56.473   3.949  16.696
  153   1HG   ARG  22          1HG       ARG  22  57.935   2.379  15.755
  154   2HG   ARG  22          2HG       ARG  22  59.244   2.811  16.853
  155   1HD   ARG  22          1HD       ARG  22  58.117   0.634  17.349
  156   2HD   ARG  22          2HD       ARG  22  58.157   1.775  18.690
  157    HE   ARG  22           HE       ARG  22  55.828   2.184  18.350
  158   1HH1  ARG  22          1HH1      ARG  22  57.099  -0.367  16.326
  159   2HH1  ARG  22          2HH1      ARG  22  55.590  -1.205  16.203
  160   1HH2  ARG  22          1HH2      ARG  22  53.814   1.084  18.179
  161   2HH2  ARG  22          2HH2      ARG  22  53.716  -0.383  17.255
  162    H    SER  23           H        SER  23  59.006   7.583  16.679
  163    HA   SER  23           HA       SER  23  60.268   7.634  19.111
  164   1HB   SER  23          1HB       SER  23  61.806   5.890  18.234
  165   2HB   SER  23          2HB       SER  23  62.280   6.980  16.935
  166    HG   SER  23           HG       SER  23  62.500   7.994  19.514
  167    H    CYS  24           H        CYS  24  61.044   8.577  15.755
  168    HA   CYS  24           HA       CYS  24  61.958  11.158  16.754
  169   1HB   CYS  24          1HB       CYS  24  62.859  11.409  14.408
  170   2HB   CYS  24          2HB       CYS  24  63.539  10.089  15.350
  171    H    GLY  25           H        GLY  25  59.126   9.926  15.353
  172   1HA   GLY  25          1HA       GLY  25  57.274  10.990  14.447
  173   2HA   GLY  25          2HA       GLY  25  58.061  12.531  14.776
  174    H    GLU  26           H        GLU  26  60.186  10.671  13.214
  175    HA   GLU  26           HA       GLU  26  59.777  11.995  10.656
  176   1HB   GLU  26          1HB       GLU  26  61.951  12.363  11.267
  177   2HB   GLU  26          2HB       GLU  26  62.024  10.911  12.245
  178   1HG   GLU  26          1HG       GLU  26  62.095   9.705   9.936
  179   2HG   GLU  26          2HG       GLU  26  62.643  11.288   9.366
  180    H    PHE  27           H        PHE  27  58.471  10.882   9.368
  181    HA   PHE  27           HA       PHE  27  58.611   7.944   9.388
  182   1HB   PHE  27          1HB       PHE  27  56.325   9.707   8.478
  183   2HB   PHE  27          2HB       PHE  27  56.310   7.951   8.589
  184    HD1  PHE  27           HD1      PHE  27  56.777   6.966  10.957
  185    HD2  PHE  27           HD2      PHE  27  55.510  10.960  10.226
  186    HE1  PHE  27           HE1      PHE  27  55.942   7.118  13.266
  187    HE2  PHE  27           HE2      PHE  27  54.676  11.124  12.534
  188    HZ   PHE  27           HZ       PHE  27  54.892   9.201  14.059
  189    H    ILE  28           H        ILE  28  58.908   6.848   7.517
  190    HA   ILE  28           HA       ILE  28  59.434   8.452   5.110
  191    HB   ILE  28           HB       ILE  28  60.326   5.618   5.683
  192   1HG1  ILE  28          1HG1      ILE  28  61.436   7.186   7.208
  193   2HG1  ILE  28          2HG1      ILE  28  62.574   6.564   6.018
  194   1HG2  ILE  28          1HG2      ILE  28  61.102   7.546   3.499
  195   2HG2  ILE  28          2HG2      ILE  28  60.094   6.112   3.314
  196   3HG2  ILE  28          3HG2      ILE  28  61.796   5.945   3.748
  197   1HD1  ILE  28          1HD1      ILE  28  62.903   8.938   6.411
  198   2HD1  ILE  28          2HD1      ILE  28  61.234   9.257   5.936
  199   3HD1  ILE  28          3HD1      ILE  28  62.386   8.638   4.752
  200    H    GLU  29           H        GLU  29  57.737   8.465   3.761
  201    HA   GLU  29           HA       GLU  29  55.682   6.497   3.971
  202   1HB   GLU  29          1HB       GLU  29  54.573   7.652   2.155
  203   2HB   GLU  29          2HB       GLU  29  55.174   8.821   3.320
  204   1HG   GLU  29          1HG       GLU  29  56.484   9.811   1.816
  205   2HG   GLU  29          2HG       GLU  29  57.053   8.275   1.162
  206    H    MET  30           H        MET  30  55.777   4.537   3.177
  207    HA   MET  30           HA       MET  30  57.532   3.905   0.975
  208   1HB   MET  30          1HB       MET  30  55.763   2.285   2.782
  209   2HB   MET  30          2HB       MET  30  56.405   1.586   1.302
  210   1HG   MET  30          1HG       MET  30  58.677   2.079   2.060
  211   2HG   MET  30          2HG       MET  30  58.025   2.761   3.548
  212   1HE   MET  30          1HE       MET  30  59.775  -0.690   4.490
  213   2HE   MET  30          2HE       MET  30  59.833   1.059   4.714
  214   3HE   MET  30          3HE       MET  30  60.231   0.356   3.145
  215    H    LYS  31           H        LYS  31  56.934   4.271  -1.018
  216    HA   LYS  31           HA       LYS  31  54.119   4.595  -1.645
  217   1HB   LYS  31          1HB       LYS  31  55.840   6.212  -2.452
  218   2HB   LYS  31          2HB       LYS  31  56.535   4.931  -3.436
  219   1HG   LYS  31          1HG       LYS  31  54.557   4.798  -4.773
  220   2HG   LYS  31          2HG       LYS  31  53.703   5.910  -3.703
  221   1HD   LYS  31          1HD       LYS  31  56.229   6.723  -5.112
  222   2HD   LYS  31          2HD       LYS  31  54.659   6.835  -5.907
  223   1HE   LYS  31          1HE       LYS  31  55.093   8.969  -4.985
  224   2HE   LYS  31          2HE       LYS  31  53.893   8.215  -3.940
  225   1HZ   LYS  31          1HZ       LYS  31  55.868   9.412  -2.874
  226   2HZ   LYS  31          2HZ       LYS  31  56.772   8.038  -3.300
  227   3HZ   LYS  31          3HZ       LYS  31  55.437   7.896  -2.255
  228    H    ALA  32           H        ALA  32  52.913   3.186  -2.748
  229    HA   ALA  32           HA       ALA  32  53.956   0.520  -3.032
  230   1HB   ALA  32          1HB       ALA  32  51.765   0.893  -2.027
  231   2HB   ALA  32          2HB       ALA  32  51.639  -0.110  -3.472
  232   3HB   ALA  32          3HB       ALA  32  51.185   1.591  -3.538
  233    H    LEU  33           H        LEU  33  55.202   0.230  -4.783
  234    HA   LEU  33           HA       LEU  33  54.082   0.991  -7.399
  235   1HB   LEU  33          1HB       LEU  33  56.932   0.286  -6.681
  236   2HB   LEU  33          2HB       LEU  33  56.364   0.731  -8.277
  237    HG   LEU  33           HG       LEU  33  56.487   2.519  -5.849
  238   1HD1  LEU  33          1HD1      LEU  33  57.993   2.538  -8.460
  239   2HD1  LEU  33          2HD1      LEU  33  58.646   2.117  -6.877
  240   3HD1  LEU  33          3HD1      LEU  33  58.112   3.766  -7.199
  241   1HD2  LEU  33          1HD2      LEU  33  55.724   4.301  -7.341
  242   2HD2  LEU  33          2HD2      LEU  33  54.509   3.033  -7.179
  243   3HD2  LEU  33          3HD2      LEU  33  55.499   3.123  -8.635
  244    H    CYS  34           H        CYS  34  54.185  -0.567  -9.099
  245    HA   CYS  34           HA       CYS  34  53.776  -3.276  -8.234
  246   1HB   CYS  34          1HB       CYS  34  52.530  -2.276 -10.137
  247   2HB   CYS  34          2HB       CYS  34  54.037  -2.158 -11.038
  248    HA   PRO  35           HA       PRO  35  57.999  -4.507  -8.054
  249   1HB   PRO  35          1HB       PRO  35  57.602  -7.161  -8.844
  250   2HB   PRO  35          2HB       PRO  35  57.527  -6.542  -7.193
  251   1HG   PRO  35          1HG       PRO  35  55.316  -7.109  -9.108
  252   2HG   PRO  35          2HG       PRO  35  55.365  -7.319  -7.347
  253   1HD   PRO  35          1HD       PRO  35  54.049  -5.274  -8.470
  254   2HD   PRO  35          2HD       PRO  35  54.933  -5.073  -6.944
  255    H    ASP  36           H        ASP  36  56.119  -5.368 -10.922
  256    HA   ASP  36           HA       ASP  36  58.519  -5.776 -12.486
  257   1HB   ASP  36          1HB       ASP  36  56.746  -6.053 -14.374
  258   2HB   ASP  36          2HB       ASP  36  56.898  -7.296 -13.138
  259    H    CYS  37           H        CYS  37  55.673  -3.955 -13.546
  260    HA   CYS  37           HA       CYS  37  57.185  -2.274 -15.210
  261   1HB   CYS  37          1HB       CYS  37  54.961  -0.945 -15.275
  262   2HB   CYS  37          2HB       CYS  37  54.994  -2.587 -15.905
  263    H    HIS  38           H        HIS  38  56.475  -2.024 -11.878
  264    HA   HIS  38           HA       HIS  38  57.052  -0.558 -10.275
  265   1HB   HIS  38          1HB       HIS  38  58.908   0.313 -12.461
  266   2HB   HIS  38          2HB       HIS  38  58.853   1.182 -10.930
  267    HD1  HIS  38           HD1      HIS  38  61.110  -0.894 -12.255
  268    HD2  HIS  38           HD2      HIS  38  58.694  -1.368  -8.907
  269    HE1  HIS  38           HE1      HIS  38  62.261  -2.614 -10.826
  270    HE2  HIS  38           HE2      HIS  38  60.884  -2.721  -8.712
  271    H    GLN  39           H        GLN  39  54.943   0.154 -12.432
  272    HA   GLN  39           HA       GLN  39  54.689   2.989 -12.000
  273   1HB   GLN  39          1HB       GLN  39  52.759   0.928 -13.070
  274   2HB   GLN  39          2HB       GLN  39  52.374   2.636 -12.925
  275   1HG   GLN  39          1HG       GLN  39  54.341   3.097 -14.414
  276   2HG   GLN  39          2HG       GLN  39  54.441   1.356 -14.685
  277   1HE2  GLN  39          1HE2      GLN  39  51.417   3.020 -14.220
  278   2HE2  GLN  39          2HE2      GLN  39  50.836   2.846 -15.839
  279    HA   PRO  40           HA       PRO  40  52.742   2.891  -8.011
  280   1HB   PRO  40          1HB       PRO  40  50.941   4.958  -8.415
  281   2HB   PRO  40          2HB       PRO  40  52.622   5.165  -7.918
  282   1HG   PRO  40          1HG       PRO  40  51.396   5.425 -10.627
  283   2HG   PRO  40          2HG       PRO  40  52.679   6.390  -9.875
  284   1HD   PRO  40          1HD       PRO  40  53.217   4.511 -11.719
  285   2HD   PRO  40          2HD       PRO  40  54.315   4.827 -10.359
  286    H    LEU  41           H        LEU  41  51.272   1.481  -7.367
  287    HA   LEU  41           HA       LEU  41  49.371   0.368  -9.142
  288   1HB   LEU  41          1HB       LEU  41  49.710   0.098  -6.160
  289   2HB   LEU  41          2HB       LEU  41  48.551  -0.828  -7.097
  290    HG   LEU  41           HG       LEU  41  51.552  -0.913  -7.416
  291   1HD1  LEU  41          1HD1      LEU  41  51.330  -3.195  -6.572
  292   2HD1  LEU  41          2HD1      LEU  41  49.604  -2.933  -6.320
  293   3HD1  LEU  41          3HD1      LEU  41  50.783  -2.008  -5.389
  294   1HD2  LEU  41          1HD2      LEU  41  49.378  -2.449  -8.832
  295   2HD2  LEU  41          2HD2      LEU  41  51.109  -2.757  -8.972
  296   3HD2  LEU  41          3HD2      LEU  41  50.435  -1.232  -9.548
  297    H    GLN  42           H        GLN  42  47.178   0.542  -9.237
  298    HA   GLN  42           HA       GLN  42  46.111   3.095  -8.522
  299   1HB   GLN  42          1HB       GLN  42  45.526   1.835 -10.610
  300   2HB   GLN  42          2HB       GLN  42  44.644   0.687  -9.614
  301   1HG   GLN  42          1HG       GLN  42  43.114   2.256 -10.602
  302   2HG   GLN  42          2HG       GLN  42  43.170   2.498  -8.857
  303   1HE2  GLN  42          1HE2      GLN  42  45.698   3.589 -11.000
  304   2HE2  GLN  42          2HE2      GLN  42  45.394   5.285 -10.819
  305    H    VAL  43           H        VAL  43  45.406   3.582  -6.573
  306    HA   VAL  43           HA       VAL  43  44.834   1.593  -4.604
  307    HB   VAL  43           HB       VAL  43  44.309   4.569  -4.473
  308   1HG1  VAL  43          1HG1      VAL  43  44.423   4.251  -2.044
  309   2HG1  VAL  43          2HG1      VAL  43  44.596   2.513  -2.285
  310   3HG1  VAL  43          3HG1      VAL  43  43.106   3.325  -2.766
  311   1HG2  VAL  43          1HG2      VAL  43  46.740   3.002  -3.622
  312   2HG2  VAL  43          2HG2      VAL  43  46.466   4.718  -3.320
  313   3HG2  VAL  43          3HG2      VAL  43  46.647   4.131  -4.973
  314    H    LEU  44           H        LEU  44  43.085   0.381  -5.085
  315    HA   LEU  44           HA       LEU  44  40.633   1.596  -6.032
  316   1HB   LEU  44          1HB       LEU  44  41.164  -1.260  -5.206
  317   2HB   LEU  44          2HB       LEU  44  39.752  -0.678  -6.064
  318    HG   LEU  44           HG       LEU  44  42.574  -0.790  -7.124
  319   1HD1  LEU  44          1HD1      LEU  44  41.623  -2.409  -8.695
  320   2HD1  LEU  44          2HD1      LEU  44  40.070  -2.292  -7.869
  321   3HD1  LEU  44          3HD1      LEU  44  41.472  -2.951  -7.024
  322   1HD2  LEU  44          1HD2      LEU  44  40.055   0.198  -8.453
  323   2HD2  LEU  44          2HD2      LEU  44  41.624  -0.005  -9.233
  324   3HD2  LEU  44          3HD2      LEU  44  41.423   1.193  -7.954
  325    H    LYS  45           H        LYS  45  39.843   2.874  -4.388
  326    HA   LYS  45           HA       LYS  45  39.364   1.655  -1.792
  327   1HB   LYS  45          1HB       LYS  45  38.853   4.438  -2.844
  328   2HB   LYS  45          2HB       LYS  45  38.365   3.908  -1.240
  329   1HG   LYS  45          1HG       LYS  45  40.726   3.416  -0.719
  330   2HG   LYS  45          2HG       LYS  45  41.178   4.048  -2.304
  331   1HD   LYS  45          1HD       LYS  45  40.323   6.229  -1.731
  332   2HD   LYS  45          2HD       LYS  45  39.697   5.618  -0.198
  333   1HE   LYS  45          1HE       LYS  45  41.990   5.115   0.521
  334   2HE   LYS  45          2HE       LYS  45  42.602   5.763  -1.001
  335   1HZ   LYS  45          1HZ       LYS  45  41.754   7.920  -0.430
  336   2HZ   LYS  45          2HZ       LYS  45  42.711   7.360   0.857
  337   3HZ   LYS  45          3HZ       LYS  45  41.021   7.318   0.977
  338    H    ALA  46           H        ALA  46  37.857   0.107  -2.165
  339    HA   ALA  46           HA       ALA  46  35.359   0.857  -3.482
  340   1HB   ALA  46          1HB       ALA  46  34.823  -1.525  -3.415
  341   2HB   ALA  46          2HB       ALA  46  36.294  -1.837  -2.493
  342   3HB   ALA  46          3HB       ALA  46  36.401  -1.253  -4.154
  343    H    CYS  47           H        CYS  47  34.621   2.255  -1.863
  344    HA   CYS  47           HA       CYS  47  33.298   2.830  -0.130
  345   1HB   CYS  47          1HB       CYS  47  32.862  -0.143   0.205
  346   2HB   CYS  47          2HB       CYS  47  31.886   1.133   0.928
  347    HG   CYS  47           HG       CYS  47  32.052   0.214  -2.355
  348    H    GLY  48           H        GLY  48  34.487  -0.222   1.256
  349   1HA   GLY  48          1HA       GLY  48  35.915   1.398   3.274
  350   2HA   GLY  48          2HA       GLY  48  34.984  -0.030   3.702
  351    H    ALA  49           H        ALA  49  36.252  -0.853   0.850
  352    HA   ALA  49           HA       ALA  49  38.552  -2.159   2.134
  353   1HB   ALA  49          1HB       ALA  49  37.079  -2.943  -0.381
  354   2HB   ALA  49          2HB       ALA  49  36.845  -3.662   1.213
  355   3HB   ALA  49          3HB       ALA  49  38.391  -3.842   0.383
  356    H    VAL  50           H        VAL  50  40.566  -2.226   1.075
  357    HA   VAL  50           HA       VAL  50  40.890  -0.297  -1.128
  358    HB   VAL  50           HB       VAL  50  42.754  -0.612   1.238
  359   1HG1  VAL  50          1HG1      VAL  50  43.970  -0.144  -0.822
  360   2HG1  VAL  50          2HG1      VAL  50  44.000   1.250   0.257
  361   3HG1  VAL  50          3HG1      VAL  50  42.922   1.240  -1.138
  362   1HG2  VAL  50          1HG2      VAL  50  42.124   1.698   1.776
  363   2HG2  VAL  50          2HG2      VAL  50  40.737   0.610   1.836
  364   3HG2  VAL  50          3HG2      VAL  50  40.959   1.682   0.454
  365    H    ASP  51           H        ASP  51  41.587  -1.355  -2.859
  366    HA   ASP  51           HA       ASP  51  43.477  -3.589  -2.474
  367   1HB   ASP  51          1HB       ASP  51  41.441  -3.126  -4.663
  368   2HB   ASP  51          2HB       ASP  51  42.707  -4.344  -4.763
  369    H    TYR  52           H        TYR  52  45.102  -3.849  -4.172
  370    HA   TYR  52           HA       TYR  52  45.781  -1.296  -5.472
  371   1HB   TYR  52          1HB       TYR  52  47.617  -3.435  -4.376
  372   2HB   TYR  52          2HB       TYR  52  48.164  -2.094  -5.378
  373    HD1  TYR  52           HD1      TYR  52  47.315  -3.167  -2.054
  374    HD2  TYR  52           HD2      TYR  52  47.844   0.261  -4.519
  375    HE1  TYR  52           HE1      TYR  52  47.549  -1.766  -0.048
  376    HE2  TYR  52           HE2      TYR  52  48.080   1.671  -2.518
  377    HH   TYR  52           HH       TYR  52  48.541   0.380   0.590
  378    H    PHE  53           H        PHE  53  45.321  -1.428  -7.563
  379    HA   PHE  53           HA       PHE  53  45.552  -4.050  -8.878
  380   1HB   PHE  53          1HB       PHE  53  43.301  -3.138  -8.899
  381   2HB   PHE  53          2HB       PHE  53  43.886  -1.629  -9.587
  382    HD1  PHE  53           HD1      PHE  53  43.493  -1.321 -11.812
  383    HD2  PHE  53           HD2      PHE  53  44.052  -5.281 -10.362
  384    HE1  PHE  53           HE1      PHE  53  43.098  -2.200 -14.075
  385    HE2  PHE  53           HE2      PHE  53  43.660  -6.168 -12.621
  386    HZ   PHE  53           HZ       PHE  53  43.181  -4.628 -14.482
  387    H    CYS  54           H        CYS  54  46.892  -4.349 -10.557
  388    HA   CYS  54           HA       CYS  54  48.475  -2.066 -11.466
  389   1HB   CYS  54          1HB       CYS  54  49.724  -4.075 -10.842
  390   2HB   CYS  54          2HB       CYS  54  48.795  -5.033 -11.988
  391    H    GLN  55           H        GLN  55  47.058  -0.973 -12.793
  392    HA   GLN  55           HA       GLN  55  45.477  -2.246 -14.772
  393   1HB   GLN  55          1HB       GLN  55  44.936  -0.012 -13.866
  394   2HB   GLN  55          2HB       GLN  55  46.372   0.640 -14.642
  395   1HG   GLN  55          1HG       GLN  55  45.478   0.189 -16.818
  396   2HG   GLN  55          2HG       GLN  55  44.104  -0.668 -16.124
  397   1HE2  GLN  55          1HE2      GLN  55  43.756   1.263 -13.972
  398   2HE2  GLN  55          2HE2      GLN  55  43.057   2.669 -14.693
  399    H    HIS  56           H        HIS  56  46.549  -3.507 -16.062
  400    HA   HIS  56           HA       HIS  56  47.970  -2.746 -18.299
  401   1HB   HIS  56          1HB       HIS  56  49.690  -3.185 -15.906
  402   2HB   HIS  56          2HB       HIS  56  50.198  -3.984 -17.388
  403    HD1  HIS  56           HD1      HIS  56  49.577  -1.776 -19.442
  404    HD2  HIS  56           HD2      HIS  56  51.422  -1.092 -15.766
  405    HE1  HIS  56           HE1      HIS  56  50.888   0.352 -19.719
  406    HE2  HIS  56           HE2      HIS  56  52.069   0.698 -17.521
  407    H    GLY  57           H        GLY  57  47.285  -5.031 -15.786
  408   1HA   GLY  57          1HA       GLY  57  46.006  -6.996 -16.589
  409   2HA   GLY  57          2HA       GLY  57  47.259  -7.185 -17.805
  410    H    HIS  58           H        HIS  58  47.870  -6.355 -14.431
  411    HA   HIS  58           HA       HIS  58  49.215  -8.960 -14.182
  412   1HB   HIS  58          1HB       HIS  58  49.864  -6.316 -12.874
  413   2HB   HIS  58          2HB       HIS  58  50.605  -7.841 -12.396
  414    HD2  HIS  58           HD2      HIS  58  51.020  -8.885 -15.575
  415    HE1  HIS  58           HE1      HIS  58  53.548  -5.496 -15.813
  416    HE2  HIS  58           HE2      HIS  58  52.736  -7.568 -16.979
  417    H    GLY  59           H        GLY  59  46.519  -7.323 -13.214
  418   1HA   GLY  59          1HA       GLY  59  44.833  -8.280 -11.917
  419   2HA   GLY  59          2HA       GLY  59  46.020  -9.365 -11.213
  420    H    LEU  60           H        LEU  60  44.844  -8.823  -9.240
  421    HA   LEU  60           HA       LEU  60  45.410  -6.172  -8.148
  422   1HB   LEU  60          1HB       LEU  60  43.764  -8.476  -7.094
  423   2HB   LEU  60          2HB       LEU  60  44.047  -6.999  -6.198
  424    HG   LEU  60           HG       LEU  60  42.949  -5.776  -8.154
  425   1HD1  LEU  60          1HD1      LEU  60  41.404  -7.083  -9.516
  426   2HD1  LEU  60          2HD1      LEU  60  42.023  -8.571  -8.798
  427   3HD1  LEU  60          3HD1      LEU  60  43.076  -7.571  -9.798
  428   1HD2  LEU  60          1HD2      LEU  60  40.698  -6.255  -7.316
  429   2HD2  LEU  60          2HD2      LEU  60  41.865  -6.085  -6.003
  430   3HD2  LEU  60          3HD2      LEU  60  41.317  -7.687  -6.494
  431    H    ILE  61           H        ILE  61  47.122  -5.827  -6.935
  432    HA   ILE  61           HA       ILE  61  48.748  -8.111  -6.131
  433    HB   ILE  61           HB       ILE  61  49.379  -5.156  -6.207
  434   1HG1  ILE  61          1HG1      ILE  61  50.287  -7.451  -7.963
  435   2HG1  ILE  61          2HG1      ILE  61  49.129  -6.207  -8.421
  436   1HG2  ILE  61          1HG2      ILE  61  50.645  -6.248  -4.444
  437   2HG2  ILE  61          2HG2      ILE  61  51.702  -5.818  -5.790
  438   3HG2  ILE  61          3HG2      ILE  61  51.181  -7.490  -5.576
  439   1HD1  ILE  61          1HD1      ILE  61  50.872  -4.516  -8.239
  440   2HD1  ILE  61          2HD1      ILE  61  51.317  -5.788  -9.378
  441   3HD1  ILE  61          3HD1      ILE  61  52.030  -5.760  -7.766
  442    H    SER  62           H        SER  62  48.809  -8.814  -4.129
  443    HA   SER  62           HA       SER  62  47.280  -7.649  -2.048
  444   1HB   SER  62          1HB       SER  62  49.415  -9.779  -1.799
  445   2HB   SER  62          2HB       SER  62  48.049  -9.503  -0.716
  446    HG   SER  62           HG       SER  62  46.718 -10.420  -2.120
  447    H    LYS  63           H        LYS  63  48.162  -7.091   0.112
  448    HA   LYS  63           HA       LYS  63  49.891  -4.890  -0.130
  449   1HB   LYS  63          1HB       LYS  63  49.033  -6.346   2.373
  450   2HB   LYS  63          2HB       LYS  63  49.749  -4.741   2.320
  451   1HG   LYS  63          1HG       LYS  63  47.822  -3.950   1.010
  452   2HG   LYS  63          2HG       LYS  63  47.099  -5.554   1.144
  453   1HD   LYS  63          1HD       LYS  63  47.778  -3.716   3.439
  454   2HD   LYS  63          2HD       LYS  63  46.162  -4.024   2.801
  455   1HE   LYS  63          1HE       LYS  63  46.394  -6.397   3.409
  456   2HE   LYS  63          2HE       LYS  63  47.990  -6.058   4.079
  457   1HZ   LYS  63          1HZ       LYS  63  46.900  -4.491   5.628
  458   2HZ   LYS  63          2HZ       LYS  63  46.403  -6.099   5.844
  459   3HZ   LYS  63          3HZ       LYS  63  45.390  -4.997   5.045
  460    H    LYS  64           H        LYS  64  50.611  -8.216   0.457
  461    HA   LYS  64           HA       LYS  64  53.274  -7.572   1.481
  462   1HB   LYS  64          1HB       LYS  64  51.954 -10.259   1.059
  463   2HB   LYS  64          2HB       LYS  64  53.511  -9.991   1.828
  464   1HG   LYS  64          1HG       LYS  64  52.405  -8.740   3.617
  465   2HG   LYS  64          2HG       LYS  64  50.844  -9.040   2.850
  466   1HD   LYS  64          1HD       LYS  64  52.742 -11.153   3.870
  467   2HD   LYS  64          2HD       LYS  64  51.272 -10.613   4.683
  468   1HE   LYS  64          1HE       LYS  64  49.932 -11.400   2.804
  469   2HE   LYS  64          2HE       LYS  64  51.394 -11.901   1.956
  470   1HZ   LYS  64          1HZ       LYS  64  50.446 -12.992   4.554
  471   2HZ   LYS  64          2HZ       LYS  64  51.840 -13.486   3.719
  472   3HZ   LYS  64          3HZ       LYS  64  50.309 -13.768   3.049
  473    H    ARG  65           H        ARG  65  51.792  -7.928  -1.446
  474    HA   ARG  65           HA       ARG  65  54.028  -9.356  -2.718
  475   1HB   ARG  65          1HB       ARG  65  51.443  -9.926  -2.902
  476   2HB   ARG  65          2HB       ARG  65  51.487  -8.677  -4.135
  477   1HG   ARG  65          1HG       ARG  65  53.172  -9.938  -5.366
  478   2HG   ARG  65          2HG       ARG  65  53.151 -11.188  -4.116
  479   1HD   ARG  65          1HD       ARG  65  50.664 -11.379  -4.554
  480   2HD   ARG  65          2HD       ARG  65  50.937 -10.391  -5.986
  481    HE   ARG  65           HE       ARG  65  52.717 -12.534  -6.090
  482   1HH1  ARG  65          1HH1      ARG  65  49.264 -11.953  -6.185
  483   2HH1  ARG  65          2HH1      ARG  65  48.927 -13.382  -7.122
  484   1HH2  ARG  65          1HH2      ARG  65  52.270 -14.416  -7.318
  485   2HH2  ARG  65          2HH2      ARG  65  50.625 -14.768  -7.766
  486    H    VAL  66           H        VAL  66  52.952  -6.307  -2.113
  487    HA   VAL  66           HA       VAL  66  53.563  -5.114  -4.684
  488    HB   VAL  66           HB       VAL  66  51.672  -4.241  -3.400
  489   1HG1  VAL  66          1HG1      VAL  66  53.702  -3.515  -1.308
  490   2HG1  VAL  66          2HG1      VAL  66  52.456  -4.757  -1.172
  491   3HG1  VAL  66          3HG1      VAL  66  51.998  -3.058  -1.301
  492   1HG2  VAL  66          1HG2      VAL  66  52.842  -2.680  -4.855
  493   2HG2  VAL  66          2HG2      VAL  66  53.938  -2.261  -3.539
  494   3HG2  VAL  66          3HG2      VAL  66  52.226  -1.858  -3.421
  495    H    GLU  67           H        GLU  67  55.250  -3.579  -5.013
  496    HA   GLU  67           HA       GLU  67  57.548  -3.962  -3.254
  497   1HB   GLU  67          1HB       GLU  67  57.838  -4.166  -5.725
  498   2HB   GLU  67          2HB       GLU  67  57.389  -2.471  -5.885
  499   1HG   GLU  67          1HG       GLU  67  59.320  -1.928  -4.371
  500   2HG   GLU  67          2HG       GLU  67  59.815  -3.612  -4.527
  501    H    PHE  68           H        PHE  68  57.781  -2.599  -1.622
  502    HA   PHE  68           HA       PHE  68  56.632   0.071  -1.791
  503   1HB   PHE  68          1HB       PHE  68  57.784  -1.515   0.502
  504   2HB   PHE  68          2HB       PHE  68  57.342   0.183   0.648
  505    HD1  PHE  68           HD1      PHE  68  56.248  -2.993   1.317
  506    HD2  PHE  68           HD2      PHE  68  54.873   0.640  -0.421
  507    HE1  PHE  68           HE1      PHE  68  53.925  -3.652   1.788
  508    HE2  PHE  68           HE2      PHE  68  52.547  -0.008   0.049
  509    HZ   PHE  68           HZ       PHE  68  52.069  -2.163   1.143
  510    H    VAL  69           H        VAL  69  57.802   1.750  -2.355
  511    HA   VAL  69           HA       VAL  69  60.723   1.620  -1.991
  512    HB   VAL  69           HB       VAL  69  60.916   3.349  -3.712
  513   1HG1  VAL  69          1HG1      VAL  69  60.219   2.022  -5.656
  514   2HG1  VAL  69          2HG1      VAL  69  59.247   1.001  -4.596
  515   3HG1  VAL  69          3HG1      VAL  69  61.002   1.034  -4.424
  516   1HG2  VAL  69          1HG2      VAL  69  58.968   4.045  -5.030
  517   2HG2  VAL  69          2HG2      VAL  69  58.809   4.512  -3.338
  518   3HG2  VAL  69          3HG2      VAL  69  57.917   3.122  -3.957
  519    H    LEU  70           H        LEU  70  61.775   3.679  -1.410
  520    HA   LEU  70           HA       LEU  70  60.270   4.958   0.709
  521   1HB   LEU  70          1HB       LEU  70  63.110   5.476  -0.180
  522   2HB   LEU  70          2HB       LEU  70  62.373   6.000   1.323
  523    HG   LEU  70           HG       LEU  70  62.974   3.148   0.532
  524   1HD1  LEU  70          1HD1      LEU  70  64.957   4.421   1.126
  525   2HD1  LEU  70          2HD1      LEU  70  64.576   3.236   2.377
  526   3HD1  LEU  70          3HD1      LEU  70  64.189   4.938   2.629
  527   1HD2  LEU  70          1HD2      LEU  70  62.241   2.558   2.787
  528   2HD2  LEU  70          2HD2      LEU  70  60.927   3.278   1.857
  529   3HD2  LEU  70          3HD2      LEU  70  61.771   4.232   3.077
  530    H    ALA  71           H        ALA  71  58.765   6.238  -0.251
  531    HA   ALA  71           HA       ALA  71  57.838   8.055  -1.221
  532   1HB   ALA  71          1HB       ALA  71  59.383   9.271   0.232
  533   2HB   ALA  71          2HB       ALA  71  59.097  10.123  -1.287
  534   3HB   ALA  71          3HB       ALA  71  60.602   9.235  -1.043
  Start of MODEL   14
    1    H    MET   1           H        MET   1  61.740  -6.769  13.858
    2    HA   MET   1           HA       MET   1  63.201  -7.647  12.160
    3   1HB   MET   1          1HB       MET   1  61.315  -6.179  10.306
    4   2HB   MET   1          2HB       MET   1  62.897  -6.774   9.828
    5   1HG   MET   1          1HG       MET   1  62.185  -9.057  10.327
    6   2HG   MET   1          2HG       MET   1  60.594  -8.454  10.787
    7   1HE   MET   1          1HE       MET   1  59.518 -10.207   9.066
    8   2HE   MET   1          2HE       MET   1  61.130 -10.753   8.601
    9   3HE   MET   1          3HE       MET   1  59.962 -10.293   7.361
   10    H    GLU   2           H        GLU   2  64.929  -6.308  11.250
   11    HA   GLU   2           HA       GLU   2  65.166  -3.874  12.771
   12   1HB   GLU   2          1HB       GLU   2  67.055  -5.235  10.853
   13   2HB   GLU   2          2HB       GLU   2  67.444  -3.763  11.729
   14   1HG   GLU   2          1HG       GLU   2  67.059  -4.999  13.851
   15   2HG   GLU   2          2HG       GLU   2  66.864  -6.470  12.895
   16    H    LEU   3           H        LEU   3  63.284  -2.911  11.558
   17    HA   LEU   3           HA       LEU   3  63.913  -1.791   8.967
   18   1HB   LEU   3          1HB       LEU   3  61.681  -1.094  10.891
   19   2HB   LEU   3          2HB       LEU   3  61.801  -0.555   9.227
   20    HG   LEU   3           HG       LEU   3  61.412  -3.411  10.132
   21   1HD1  LEU   3          1HD1      LEU   3  59.535  -1.462   8.799
   22   2HD1  LEU   3          2HD1      LEU   3  59.426  -2.047  10.460
   23   3HD1  LEU   3          3HD1      LEU   3  59.196  -3.163   9.115
   24   1HD2  LEU   3          1HD2      LEU   3  61.106  -3.901   7.759
   25   2HD2  LEU   3          2HD2      LEU   3  62.724  -3.276   8.078
   26   3HD2  LEU   3          3HD2      LEU   3  61.502  -2.229   7.359
   27    H    HIS   4           H        HIS   4  65.524  -0.335   8.927
   28    HA   HIS   4           HA       HIS   4  65.797   1.482  11.218
   29   1HB   HIS   4          1HB       HIS   4  67.824   0.710   9.116
   30   2HB   HIS   4          2HB       HIS   4  68.110   1.839  10.430
   31    HD1  HIS   4           HD1      HIS   4  69.060  -1.351   9.629
   32    HD2  HIS   4           HD2      HIS   4  67.218   0.231  13.008
   33    HE1  HIS   4           HE1      HIS   4  69.583  -2.949  11.501
   34    HE2  HIS   4           HE2      HIS   4  68.601  -1.887  13.563
   35    H    CYS   5           H        CYS   5  66.502   3.656  10.803
   36    HA   CYS   5           HA       CYS   5  65.168   4.810   8.475
   37   1HB   CYS   5          1HB       CYS   5  66.436   6.356  10.715
   38   2HB   CYS   5          2HB       CYS   5  65.116   6.837   9.657
   39    HA   PRO   6           HA       PRO   6  69.135   5.519   6.531
   40   1HB   PRO   6          1HB       PRO   6  68.288   7.399   4.727
   41   2HB   PRO   6          2HB       PRO   6  68.091   5.658   4.507
   42   1HG   PRO   6          1HG       PRO   6  66.112   7.687   5.451
   43   2HG   PRO   6          2HG       PRO   6  65.873   6.303   4.369
   44   1HD   PRO   6          1HD       PRO   6  65.137   6.258   6.971
   45   2HD   PRO   6          2HD       PRO   6  65.698   4.808   6.114
   46    H    GLN   7           H        GLN   7  67.087   8.140   7.735
   47    HA   GLN   7           HA       GLN   7  69.397   9.929   7.810
   48   1HB   GLN   7          1HB       GLN   7  66.473  10.475   8.330
   49   2HB   GLN   7          2HB       GLN   7  67.745  11.684   8.419
   50   1HG   GLN   7          1HG       GLN   7  68.250  11.281   6.040
   51   2HG   GLN   7          2HG       GLN   7  66.896  10.152   5.974
   52   1HE2  GLN   7          1HE2      GLN   7  64.794  10.941   6.101
   53   2HE2  GLN   7          2HE2      GLN   7  64.425  12.620   5.848
   54    H    CYS   8           H        CYS   8  66.907   8.680  10.027
   55    HA   CYS   8           HA       CYS   8  68.707   9.386  12.238
   56   1HB   CYS   8          1HB       CYS   8  66.642   9.631  13.642
   57   2HB   CYS   8          2HB       CYS   8  66.805  10.839  12.372
   58    H    GLN   9           H        GLN   9  69.592   7.315  11.834
   59    HA   GLN   9           HA       GLN   9  68.453   4.845  11.866
   60   1HB   GLN   9          1HB       GLN   9  71.050   5.852  12.987
   61   2HB   GLN   9          2HB       GLN   9  70.624   4.148  13.088
   62   1HG   GLN   9          1HG       GLN   9  70.619   5.666  10.494
   63   2HG   GLN   9          2HG       GLN   9  72.055   4.853  11.126
   64   1HE2  GLN   9          1HE2      GLN   9  72.076   3.456   9.331
   65   2HE2  GLN   9          2HE2      GLN   9  70.960   2.140   9.208
   66    H    HIS  10           H        HIS  10  66.943   4.081  13.155
   67    HA   HIS  10           HA       HIS  10  67.618   3.375  15.817
   68   1HB   HIS  10          1HB       HIS  10  66.749   5.750  16.114
   69   2HB   HIS  10          2HB       HIS  10  65.181   5.155  15.582
   70    HD1  HIS  10           HD1      HIS  10  67.189   5.626  18.561
   71    HD2  HIS  10           HD2      HIS  10  64.173   3.017  17.379
   72    HE1  HIS  10           HE1      HIS  10  66.259   4.652  20.684
   73    HE2  HIS  10           HE2      HIS  10  64.325   3.210  19.955
   74    H    VAL  11           H        VAL  11  64.384   3.978  14.430
   75    HA   VAL  11           HA       VAL  11  64.088   1.370  13.376
   76    HB   VAL  11           HB       VAL  11  64.033   0.838  15.826
   77   1HG1  VAL  11          1HG1      VAL  11  62.912   2.830  16.640
   78   2HG1  VAL  11          2HG1      VAL  11  62.016   1.383  17.101
   79   3HG1  VAL  11          3HG1      VAL  11  61.448   2.384  15.765
   80   1HG2  VAL  11          1HG2      VAL  11  63.022  -0.661  14.219
   81   2HG2  VAL  11          2HG2      VAL  11  61.524   0.268  14.259
   82   3HG2  VAL  11          3HG2      VAL  11  62.052  -0.612  15.694
   83    H    LEU  12           H        LEU  12  62.336   1.201  12.101
   84    HA   LEU  12           HA       LEU  12  60.399   3.416  12.073
   85   1HB   LEU  12          1HB       LEU  12  61.092   1.334   9.997
   86   2HB   LEU  12          2HB       LEU  12  59.792   2.495   9.822
   87    HG   LEU  12           HG       LEU  12  62.691   3.267  10.152
   88   1HD1  LEU  12          1HD1      LEU  12  62.657   3.735   7.751
   89   2HD1  LEU  12          2HD1      LEU  12  61.032   3.059   7.642
   90   3HD1  LEU  12          3HD1      LEU  12  62.391   2.022   8.078
   91   1HD2  LEU  12          1HD2      LEU  12  61.069   4.964  10.844
   92   2HD2  LEU  12          2HD2      LEU  12  60.264   4.832   9.281
   93   3HD2  LEU  12          3HD2      LEU  12  61.915   5.444   9.373
   94    H    ASP  13           H        ASP  13  58.224   3.033  12.366
   95    HA   ASP  13           HA       ASP  13  57.493   0.348  13.269
   96   1HB   ASP  13          1HB       ASP  13  56.895   2.313  14.677
   97   2HB   ASP  13          2HB       ASP  13  55.883   2.912  13.367
   98    H    GLN  14           H        GLN  14  55.859  -0.868  12.294
   99    HA   GLN  14           HA       GLN  14  55.098   0.094   9.613
  100   1HB   GLN  14          1HB       GLN  14  56.880  -1.710   9.703
  101   2HB   GLN  14          2HB       GLN  14  55.638  -2.783  10.332
  102   1HG   GLN  14          1HG       GLN  14  55.538  -3.287   8.118
  103   2HG   GLN  14          2HG       GLN  14  54.325  -2.012   8.208
  104   1HE2  GLN  14          1HE2      GLN  14  56.457   0.057   8.511
  105   2HE2  GLN  14          2HE2      GLN  14  57.113   0.255   6.923
  106    H    ASP  15           H        ASP  15  53.021   0.663   9.927
  107    HA   ASP  15           HA       ASP  15  51.183  -1.470  10.809
  108   1HB   ASP  15          1HB       ASP  15  49.603   0.264  11.480
  109   2HB   ASP  15          2HB       ASP  15  51.145   0.517  12.292
  110    H    ASN  16           H        ASN  16  51.841   1.067   8.504
  111    HA   ASN  16           HA       ASN  16  50.085  -0.283   6.569
  112   1HB   ASN  16          1HB       ASN  16  50.292   2.659   7.177
  113   2HB   ASN  16          2HB       ASN  16  49.824   2.112   5.573
  114   1HD2  ASN  16          1HD2      ASN  16  48.903   2.325   8.921
  115   2HD2  ASN  16          2HD2      ASN  16  47.233   1.932   8.676
  116    H    GLY  17           H        GLY  17  50.766   1.264   4.355
  117   1HA   GLY  17          1HA       GLY  17  53.504   0.464   3.873
  118   2HA   GLY  17          2HA       GLY  17  52.423   1.256   2.729
  119    H    HIS  18           H        HIS  18  53.004   2.485   5.924
  120    HA   HIS  18           HA       HIS  18  54.732   4.600   4.857
  121   1HB   HIS  18          1HB       HIS  18  52.401   5.048   6.747
  122   2HB   HIS  18          2HB       HIS  18  53.528   6.279   6.192
  123    HD1  HIS  18           HD1      HIS  18  50.229   5.577   5.690
  124    HD2  HIS  18           HD2      HIS  18  53.395   5.977   3.018
  125    HE1  HIS  18           HE1      HIS  18  49.179   6.081   3.459
  126    HE2  HIS  18           HE2      HIS  18  51.111   6.398   1.870
  127    H    ALA  19           H        ALA  19  56.544   4.701   6.019
  128    HA   ALA  19           HA       ALA  19  56.668   3.169   8.494
  129   1HB   ALA  19          1HB       ALA  19  59.090   3.311   8.229
  130   2HB   ALA  19          2HB       ALA  19  58.881   4.374   6.838
  131   3HB   ALA  19          3HB       ALA  19  58.326   2.701   6.759
  132    H    ARG  20           H        ARG  20  55.910   4.412  10.115
  133    HA   ARG  20           HA       ARG  20  57.036   7.093  10.446
  134   1HB   ARG  20          1HB       ARG  20  54.653   5.703  11.633
  135   2HB   ARG  20          2HB       ARG  20  55.335   7.132  12.400
  136   1HG   ARG  20          1HG       ARG  20  54.988   8.406  10.349
  137   2HG   ARG  20          2HG       ARG  20  54.310   6.975   9.571
  138   1HD   ARG  20          1HD       ARG  20  52.428   6.975  10.995
  139   2HD   ARG  20          2HD       ARG  20  53.171   8.128  12.103
  140    HE   ARG  20           HE       ARG  20  53.045   9.684  10.056
  141   1HH1  ARG  20          1HH1      ARG  20  50.674   7.222  10.826
  142   2HH1  ARG  20          2HH1      ARG  20  49.348   8.110  10.136
  143   1HH2  ARG  20          1HH2      ARG  20  51.313  10.842   9.148
  144   2HH2  ARG  20          2HH2      ARG  20  49.711  10.167   9.182
  145    H    CYS  21           H        CYS  21  58.557   7.504  11.885
  146    HA   CYS  21           HA       CYS  21  59.813   5.394  13.304
  147   1HB   CYS  21          1HB       CYS  21  60.161   8.372  13.665
  148   2HB   CYS  21          2HB       CYS  21  61.282   7.118  14.184
  149    H    ARG  22           H        ARG  22  58.755   4.443  14.945
  150    HA   ARG  22           HA       ARG  22  57.195   5.950  16.850
  151   1HB   ARG  22          1HB       ARG  22  57.040   3.404  15.994
  152   2HB   ARG  22          2HB       ARG  22  58.039   3.149  17.415
  153   1HG   ARG  22          1HG       ARG  22  55.389   4.572  17.484
  154   2HG   ARG  22          2HG       ARG  22  55.582   2.842  17.758
  155   1HD   ARG  22          1HD       ARG  22  57.029   3.292  19.660
  156   2HD   ARG  22          2HD       ARG  22  56.894   5.026  19.371
  157    HE   ARG  22           HE       ARG  22  54.318   4.262  19.665
  158   1HH1  ARG  22          1HH1      ARG  22  57.187   3.709  21.606
  159   2HH1  ARG  22          2HH1      ARG  22  56.307   3.673  23.101
  160   1HH2  ARG  22          1HH2      ARG  22  53.176   4.221  21.621
  161   2HH2  ARG  22          2HH2      ARG  22  54.030   3.970  23.115
  162    H    SER  23           H        SER  23  59.624   7.059  16.793
  163    HA   SER  23           HA       SER  23  60.569   6.951  19.427
  164   1HB   SER  23          1HB       SER  23  62.912   6.085  18.841
  165   2HB   SER  23          2HB       SER  23  61.631   4.882  18.980
  166    HG   SER  23           HG       SER  23  61.820   4.443  16.928
  167    H    CYS  24           H        CYS  24  62.369   7.277  16.371
  168    HA   CYS  24           HA       CYS  24  63.598   9.675  17.232
  169   1HB   CYS  24          1HB       CYS  24  64.092   9.604  14.541
  170   2HB   CYS  24          2HB       CYS  24  65.047   8.793  15.775
  171    H    GLY  25           H        GLY  25  60.617   9.134  15.589
  172   1HA   GLY  25          1HA       GLY  25  58.925  10.692  15.299
  173   2HA   GLY  25          2HA       GLY  25  60.040  11.942  15.816
  174    H    GLU  26           H        GLU  26  60.773   9.787  13.184
  175    HA   GLU  26           HA       GLU  26  60.589  12.036  11.313
  176   1HB   GLU  26          1HB       GLU  26  62.716  11.340  10.986
  177   2HB   GLU  26          2HB       GLU  26  62.408   9.755  11.669
  178   1HG   GLU  26          1HG       GLU  26  61.212   9.287   9.422
  179   2HG   GLU  26          2HG       GLU  26  62.125  10.684   8.848
  180    H    PHE  27           H        PHE  27  59.614  11.695   9.234
  181    HA   PHE  27           HA       PHE  27  57.688   9.473   9.227
  182   1HB   PHE  27          1HB       PHE  27  56.153  10.903   7.970
  183   2HB   PHE  27          2HB       PHE  27  56.581  11.651   9.500
  184    HD1  PHE  27           HD1      PHE  27  58.357  13.484   9.472
  185    HD2  PHE  27           HD2      PHE  27  56.436  12.039   5.959
  186    HE1  PHE  27           HE1      PHE  27  58.995  15.540   8.280
  187    HE2  PHE  27           HE2      PHE  27  57.074  14.090   4.762
  188    HZ   PHE  27           HZ       PHE  27  58.355  15.844   5.921
  189    H    ILE  28           H        ILE  28  57.900   8.048   7.674
  190    HA   ILE  28           HA       ILE  28  59.025   8.880   5.083
  191    HB   ILE  28           HB       ILE  28  59.608   6.237   6.451
  192   1HG1  ILE  28          1HG1      ILE  28  61.465   8.581   5.974
  193   2HG1  ILE  28          2HG1      ILE  28  60.802   8.113   7.537
  194   1HG2  ILE  28          1HG2      ILE  28  59.531   6.060   4.033
  195   2HG2  ILE  28          2HG2      ILE  28  61.191   5.898   4.604
  196   3HG2  ILE  28          3HG2      ILE  28  60.653   7.413   3.877
  197   1HD1  ILE  28          1HD1      ILE  28  62.642   6.451   5.833
  198   2HD1  ILE  28          2HD1      ILE  28  61.980   5.981   7.399
  199   3HD1  ILE  28          3HD1      ILE  28  63.091   7.347   7.285
  200    H    GLU  29           H        GLU  29  58.057   7.841   3.281
  201    HA   GLU  29           HA       GLU  29  55.833   6.040   3.964
  202   1HB   GLU  29          1HB       GLU  29  54.672   6.794   1.956
  203   2HB   GLU  29          2HB       GLU  29  55.010   8.144   3.028
  204   1HG   GLU  29          1HG       GLU  29  56.790   8.896   1.633
  205   2HG   GLU  29          2HG       GLU  29  56.686   7.444   0.636
  206    H    MET  30           H        MET  30  55.505   4.231   2.681
  207    HA   MET  30           HA       MET  30  57.802   3.505   0.999
  208   1HB   MET  30          1HB       MET  30  55.809   1.661   2.337
  209   2HB   MET  30          2HB       MET  30  57.261   1.182   1.466
  210   1HG   MET  30          1HG       MET  30  58.633   2.308   3.151
  211   2HG   MET  30          2HG       MET  30  57.174   2.756   4.030
  212   1HE   MET  30          1HE       MET  30  58.155  -0.611   2.197
  213   2HE   MET  30          2HE       MET  30  58.785  -1.538   3.559
  214   3HE   MET  30          3HE       MET  30  59.627  -0.084   3.015
  215    H    LYS  31           H        LYS  31  57.398   3.654  -1.086
  216    HA   LYS  31           HA       LYS  31  54.741   4.249  -1.975
  217   1HB   LYS  31          1HB       LYS  31  56.900   5.284  -2.820
  218   2HB   LYS  31          2HB       LYS  31  57.180   3.782  -3.687
  219   1HG   LYS  31          1HG       LYS  31  55.095   4.119  -4.927
  220   2HG   LYS  31          2HG       LYS  31  54.849   5.644  -4.074
  221   1HD   LYS  31          1HD       LYS  31  57.038   6.424  -4.971
  222   2HD   LYS  31          2HD       LYS  31  57.119   4.944  -5.929
  223   1HE   LYS  31          1HE       LYS  31  55.025   5.566  -7.045
  224   2HE   LYS  31          2HE       LYS  31  54.968   7.049  -6.096
  225   1HZ   LYS  31          1HZ       LYS  31  56.902   6.300  -8.208
  226   2HZ   LYS  31          2HZ       LYS  31  57.224   7.543  -7.104
  227   3HZ   LYS  31          3HZ       LYS  31  55.884   7.661  -8.141
  228    H    ALA  32           H        ALA  32  53.274   2.823  -2.558
  229    HA   ALA  32           HA       ALA  32  53.940   0.046  -2.874
  230   1HB   ALA  32          1HB       ALA  32  51.533  -0.303  -3.043
  231   2HB   ALA  32          2HB       ALA  32  51.280   1.440  -3.143
  232   3HB   ALA  32          3HB       ALA  32  51.925   0.725  -1.664
  233    H    LEU  33           H        LEU  33  55.047  -0.293  -4.723
  234    HA   LEU  33           HA       LEU  33  53.818   0.605  -7.244
  235   1HB   LEU  33          1HB       LEU  33  56.662  -0.246  -6.692
  236   2HB   LEU  33          2HB       LEU  33  56.043   0.313  -8.234
  237    HG   LEU  33           HG       LEU  33  56.262   1.966  -5.719
  238   1HD1  LEU  33          1HD1      LEU  33  57.979   3.185  -6.966
  239   2HD1  LEU  33          2HD1      LEU  33  57.825   2.037  -8.296
  240   3HD1  LEU  33          3HD1      LEU  33  58.421   1.495  -6.727
  241   1HD2  LEU  33          1HD2      LEU  33  55.344   2.713  -8.494
  242   2HD2  LEU  33          2HD2      LEU  33  55.613   3.836  -7.162
  243   3HD2  LEU  33          3HD2      LEU  33  54.337   2.626  -7.048
  244    H    CYS  34           H        CYS  34  53.908  -0.862  -9.052
  245    HA   CYS  34           HA       CYS  34  53.634  -3.656  -8.302
  246   1HB   CYS  34          1HB       CYS  34  52.058  -2.625  -9.908
  247   2HB   CYS  34          2HB       CYS  34  53.395  -2.316 -11.006
  248    HA   PRO  35           HA       PRO  35  57.976  -4.252  -8.689
  249   1HB   PRO  35          1HB       PRO  35  57.899  -7.004  -9.045
  250   2HB   PRO  35          2HB       PRO  35  57.886  -6.167  -7.491
  251   1HG   PRO  35          1HG       PRO  35  55.610  -7.292  -9.061
  252   2HG   PRO  35          2HG       PRO  35  55.874  -7.292  -7.307
  253   1HD   PRO  35          1HD       PRO  35  54.149  -5.597  -8.457
  254   2HD   PRO  35          2HD       PRO  35  55.146  -5.101  -7.074
  255    H    ASP  36           H        ASP  36  55.787  -5.274 -11.191
  256    HA   ASP  36           HA       ASP  36  57.975  -6.014 -12.962
  257   1HB   ASP  36          1HB       ASP  36  56.138  -6.636 -14.554
  258   2HB   ASP  36          2HB       ASP  36  56.126  -7.518 -13.032
  259    H    CYS  37           H        CYS  37  56.193  -3.189 -12.291
  260    HA   CYS  37           HA       CYS  37  57.152  -2.033 -14.805
  261   1HB   CYS  37          1HB       CYS  37  54.909  -0.791 -14.970
  262   2HB   CYS  37          2HB       CYS  37  54.956  -2.479 -15.462
  263    H    HIS  38           H        HIS  38  57.048  -1.797 -11.550
  264    HA   HIS  38           HA       HIS  38  57.377  -0.244  -9.968
  265   1HB   HIS  38          1HB       HIS  38  59.120   1.323 -10.306
  266   2HB   HIS  38          2HB       HIS  38  59.510  -0.085 -11.274
  267    HD1  HIS  38           HD1      HIS  38  60.255   0.412 -13.576
  268    HD2  HIS  38           HD2      HIS  38  57.978   3.513 -11.996
  269    HE1  HIS  38           HE1      HIS  38  60.319   2.247 -15.293
  270    HE2  HIS  38           HE2      HIS  38  59.131   4.186 -14.211
  271    H    GLN  39           H        GLN  39  55.059   0.267 -12.005
  272    HA   GLN  39           HA       GLN  39  54.647   3.097 -11.510
  273   1HB   GLN  39          1HB       GLN  39  52.907   1.059 -12.912
  274   2HB   GLN  39          2HB       GLN  39  52.538   2.774 -12.780
  275   1HG   GLN  39          1HG       GLN  39  54.670   3.248 -13.977
  276   2HG   GLN  39          2HG       GLN  39  54.844   1.514 -14.239
  277   1HE2  GLN  39          1HE2      GLN  39  51.784   3.207 -14.280
  278   2HE2  GLN  39          2HE2      GLN  39  51.484   3.015 -15.970
  279    HA   PRO  40           HA       PRO  40  52.394   2.728  -7.757
  280   1HB   PRO  40          1HB       PRO  40  50.533   4.747  -8.885
  281   2HB   PRO  40          2HB       PRO  40  51.487   4.801  -7.398
  282   1HG   PRO  40          1HG       PRO  40  52.181   6.258  -9.517
  283   2HG   PRO  40          2HG       PRO  40  53.408   5.483  -8.498
  284   1HD   PRO  40          1HD       PRO  40  52.370   4.650 -11.179
  285   2HD   PRO  40          2HD       PRO  40  54.030   4.602 -10.547
  286    H    LEU  41           H        LEU  41  51.009   1.214  -7.198
  287    HA   LEU  41           HA       LEU  41  49.112   0.100  -8.994
  288   1HB   LEU  41          1HB       LEU  41  49.566  -0.251  -6.036
  289   2HB   LEU  41          2HB       LEU  41  48.340  -1.137  -6.926
  290    HG   LEU  41           HG       LEU  41  51.289  -1.241  -7.553
  291   1HD1  LEU  41          1HD1      LEU  41  50.826  -2.190  -5.348
  292   2HD1  LEU  41          2HD1      LEU  41  51.266  -3.439  -6.511
  293   3HD1  LEU  41          3HD1      LEU  41  49.578  -3.216  -6.054
  294   1HD2  LEU  41          1HD2      LEU  41  49.901  -1.738  -9.466
  295   2HD2  LEU  41          2HD2      LEU  41  48.938  -2.864  -8.511
  296   3HD2  LEU  41          3HD2      LEU  41  50.626  -3.227  -8.861
  297    H    GLN  42           H        GLN  42  47.021   0.504  -9.265
  298    HA   GLN  42           HA       GLN  42  45.858   2.884  -8.269
  299   1HB   GLN  42          1HB       GLN  42  45.224   1.943 -10.436
  300   2HB   GLN  42          2HB       GLN  42  44.606   0.498  -9.650
  301   1HG   GLN  42          1HG       GLN  42  42.767   1.894 -10.282
  302   2HG   GLN  42          2HG       GLN  42  42.897   1.882  -8.525
  303   1HE2  GLN  42          1HE2      GLN  42  45.029   3.714 -10.592
  304   2HE2  GLN  42          2HE2      GLN  42  44.455   5.275 -10.127
  305    H    VAL  43           H        VAL  43  45.361   3.117  -6.194
  306    HA   VAL  43           HA       VAL  43  44.651   0.913  -4.511
  307    HB   VAL  43           HB       VAL  43  44.427   3.874  -3.931
  308   1HG1  VAL  43          1HG1      VAL  43  44.487   3.196  -1.581
  309   2HG1  VAL  43          2HG1      VAL  43  44.512   1.501  -2.070
  310   3HG1  VAL  43          3HG1      VAL  43  43.100   2.499  -2.417
  311   1HG2  VAL  43          1HG2      VAL  43  46.681   1.953  -3.364
  312   2HG2  VAL  43          2HG2      VAL  43  46.590   3.621  -2.800
  313   3HG2  VAL  43          3HG2      VAL  43  46.707   3.279  -4.526
  314    H    LEU  44           H        LEU  44  42.783  -0.053  -5.031
  315    HA   LEU  44           HA       LEU  44  40.437   1.437  -5.762
  316   1HB   LEU  44          1HB       LEU  44  40.715  -1.486  -5.040
  317   2HB   LEU  44          2HB       LEU  44  39.316  -0.740  -5.788
  318    HG   LEU  44           HG       LEU  44  42.052  -0.990  -7.041
  319   1HD1  LEU  44          1HD1      LEU  44  40.952  -2.554  -8.567
  320   2HD1  LEU  44          2HD1      LEU  44  39.466  -2.419  -7.628
  321   3HD1  LEU  44          3HD1      LEU  44  40.908  -3.124  -6.897
  322   1HD2  LEU  44          1HD2      LEU  44  40.979  -0.150  -9.067
  323   2HD2  LEU  44          2HD2      LEU  44  40.891   1.037  -7.763
  324   3HD2  LEU  44          3HD2      LEU  44  39.472   0.078  -8.180
  325    H    LYS  45           H        LYS  45  40.158   2.800  -4.015
  326    HA   LYS  45           HA       LYS  45  39.581   1.672  -1.395
  327   1HB   LYS  45          1HB       LYS  45  40.937   3.752  -1.652
  328   2HB   LYS  45          2HB       LYS  45  39.533   4.548  -2.343
  329   1HG   LYS  45          1HG       LYS  45  38.337   4.272  -0.232
  330   2HG   LYS  45          2HG       LYS  45  39.749   3.468   0.460
  331   1HD   LYS  45          1HD       LYS  45  41.078   5.498   0.082
  332   2HD   LYS  45          2HD       LYS  45  39.657   6.298  -0.590
  333   1HE   LYS  45          1HE       LYS  45  39.952   6.992   1.696
  334   2HE   LYS  45          2HE       LYS  45  38.505   5.993   1.572
  335   1HZ   LYS  45          1HZ       LYS  45  39.779   5.395   3.509
  336   2HZ   LYS  45          2HZ       LYS  45  41.165   5.111   2.572
  337   3HZ   LYS  45          3HZ       LYS  45  39.808   4.110   2.405
  338    H    ALA  46           H        ALA  46  37.664   0.589  -1.625
  339    HA   ALA  46           HA       ALA  46  35.426   2.001  -2.903
  340   1HB   ALA  46          1HB       ALA  46  36.005  -0.175  -3.844
  341   2HB   ALA  46          2HB       ALA  46  34.395  -0.205  -3.124
  342   3HB   ALA  46          3HB       ALA  46  35.757  -0.930  -2.270
  343    H    CYS  47           H        CYS  47  36.446   2.276  -0.052
  344    HA   CYS  47           HA       CYS  47  35.586   2.675   2.003
  345   1HB   CYS  47          1HB       CYS  47  32.952   2.325   0.565
  346   2HB   CYS  47          2HB       CYS  47  33.087   2.811   2.252
  347    HG   CYS  47           HG       CYS  47  33.458   5.310   1.841
  348    H    GLY  48           H        GLY  48  36.538   0.874   2.900
  349   1HA   GLY  48          1HA       GLY  48  36.068  -0.866   4.484
  350   2HA   GLY  48          2HA       GLY  48  34.659  -1.303   3.526
  351    H    ALA  49           H        ALA  49  36.284  -0.992   1.052
  352    HA   ALA  49           HA       ALA  49  37.851  -3.476   1.246
  353   1HB   ALA  49          1HB       ALA  49  37.197  -3.967  -1.061
  354   2HB   ALA  49          2HB       ALA  49  36.213  -2.503  -1.096
  355   3HB   ALA  49          3HB       ALA  49  35.784  -3.829  -0.014
  356    H    VAL  50           H        VAL  50  39.879  -3.433   0.429
  357    HA   VAL  50           HA       VAL  50  40.692  -1.133  -1.203
  358    HB   VAL  50           HB       VAL  50  42.227  -2.134   1.209
  359   1HG1  VAL  50          1HG1      VAL  50  43.844  -0.372   0.679
  360   2HG1  VAL  50          2HG1      VAL  50  42.941   0.017  -0.785
  361   3HG1  VAL  50          3HG1      VAL  50  43.727  -1.554  -0.625
  362   1HG2  VAL  50          1HG2      VAL  50  40.916   0.531   0.677
  363   2HG2  VAL  50          2HG2      VAL  50  41.890   0.127   2.090
  364   3HG2  VAL  50          3HG2      VAL  50  40.353  -0.694   1.815
  365    H    ASP  51           H        ASP  51  41.365  -1.971  -3.054
  366    HA   ASP  51           HA       ASP  51  43.105  -4.356  -2.945
  367   1HB   ASP  51          1HB       ASP  51  41.088  -3.599  -5.069
  368   2HB   ASP  51          2HB       ASP  51  42.308  -4.848  -5.287
  369    H    TYR  52           H        TYR  52  44.798  -4.437  -4.509
  370    HA   TYR  52           HA       TYR  52  45.600  -1.776  -5.472
  371   1HB   TYR  52          1HB       TYR  52  47.281  -4.224  -4.873
  372   2HB   TYR  52          2HB       TYR  52  47.908  -2.717  -5.529
  373    HD1  TYR  52           HD1      TYR  52  46.488  -4.332  -2.542
  374    HD2  TYR  52           HD2      TYR  52  48.240  -0.794  -4.130
  375    HE1  TYR  52           HE1      TYR  52  46.818  -3.480  -0.261
  376    HE2  TYR  52           HE2      TYR  52  48.574   0.069  -1.850
  377    HH   TYR  52           HH       TYR  52  47.663  -0.235   0.393
  378    H    PHE  53           H        PHE  53  45.135  -1.505  -7.564
  379    HA   PHE  53           HA       PHE  53  45.109  -3.886  -9.295
  380   1HB   PHE  53          1HB       PHE  53  42.960  -2.747  -9.103
  381   2HB   PHE  53          2HB       PHE  53  43.694  -1.228  -9.604
  382    HD1  PHE  53           HD1      PHE  53  43.615  -0.620 -11.826
  383    HD2  PHE  53           HD2      PHE  53  43.187  -4.717 -10.773
  384    HE1  PHE  53           HE1      PHE  53  43.127  -1.169 -14.171
  385    HE2  PHE  53           HE2      PHE  53  42.701  -5.276 -13.110
  386    HZ   PHE  53           HZ       PHE  53  42.671  -3.501 -14.821
  387    H    CYS  54           H        CYS  54  46.423  -4.042 -11.015
  388    HA   CYS  54           HA       CYS  54  48.031  -1.672 -11.717
  389   1HB   CYS  54          1HB       CYS  54  49.410  -3.502 -10.906
  390   2HB   CYS  54          2HB       CYS  54  48.657  -4.615 -12.043
  391    H    GLN  55           H        GLN  55  46.933  -0.711 -13.352
  392    HA   GLN  55           HA       GLN  55  45.699  -2.215 -15.454
  393   1HB   GLN  55          1HB       GLN  55  44.909   0.050 -14.782
  394   2HB   GLN  55          2HB       GLN  55  46.406   0.727 -15.411
  395   1HG   GLN  55          1HG       GLN  55  45.848  -0.009 -17.641
  396   2HG   GLN  55          2HG       GLN  55  44.397  -0.810 -17.045
  397   1HE2  GLN  55          1HE2      GLN  55  45.479   2.307 -15.884
  398   2HE2  GLN  55          2HE2      GLN  55  44.193   3.228 -16.588
  399    H    HIS  56           H        HIS  56  47.094  -3.482 -16.434
  400    HA   HIS  56           HA       HIS  56  48.833  -2.621 -18.440
  401   1HB   HIS  56          1HB       HIS  56  50.056  -2.807 -15.772
  402   2HB   HIS  56          2HB       HIS  56  50.858  -3.815 -16.967
  403    HD1  HIS  56           HD1      HIS  56  50.874  -2.045 -19.417
  404    HD2  HIS  56           HD2      HIS  56  51.664  -0.621 -15.579
  405    HE1  HIS  56           HE1      HIS  56  52.195   0.070 -19.732
  406    HE2  HIS  56           HE2      HIS  56  52.798   0.820 -17.404
  407    H    GLY  57           H        GLY  57  46.757  -4.582 -17.614
  408   1HA   GLY  57          1HA       GLY  57  46.218  -6.778 -18.004
  409   2HA   GLY  57          2HA       GLY  57  47.728  -6.912 -18.897
  410    H    HIS  58           H        HIS  58  47.631  -5.936 -15.541
  411    HA   HIS  58           HA       HIS  58  48.952  -8.479 -14.865
  412   1HB   HIS  58          1HB       HIS  58  49.309  -5.753 -13.595
  413   2HB   HIS  58          2HB       HIS  58  50.067  -7.233 -13.017
  414    HD2  HIS  58           HD2      HIS  58  50.818  -8.163 -16.236
  415    HE1  HIS  58           HE1      HIS  58  53.333  -4.765 -15.996
  416    HE2  HIS  58           HE2      HIS  58  52.705  -6.792 -17.338
  417    H    GLY  59           H        GLY  59  46.334  -6.368 -14.152
  418   1HA   GLY  59          1HA       GLY  59  44.395  -6.866 -13.008
  419   2HA   GLY  59          2HA       GLY  59  45.100  -8.411 -12.557
  420    H    LEU  60           H        LEU  60  44.395  -8.277 -10.446
  421    HA   LEU  60           HA       LEU  60  45.201  -6.021  -8.809
  422   1HB   LEU  60          1HB       LEU  60  43.591  -8.501  -8.287
  423   2HB   LEU  60          2HB       LEU  60  44.144  -7.490  -6.969
  424    HG   LEU  60           HG       LEU  60  42.916  -5.568  -8.044
  425   1HD1  LEU  60          1HD1      LEU  60  41.158  -6.095  -9.647
  426   2HD1  LEU  60          2HD1      LEU  60  41.733  -7.760  -9.734
  427   3HD1  LEU  60          3HD1      LEU  60  42.756  -6.442 -10.304
  428   1HD2  LEU  60          1HD2      LEU  60  42.009  -6.776  -6.138
  429   2HD2  LEU  60          2HD2      LEU  60  41.301  -7.977  -7.219
  430   3HD2  LEU  60          3HD2      LEU  60  40.723  -6.311  -7.249
  431    H    ILE  61           H        ILE  61  46.907  -5.944  -7.524
  432    HA   ILE  61           HA       ILE  61  48.641  -8.312  -7.378
  433    HB   ILE  61           HB       ILE  61  49.306  -5.412  -6.828
  434   1HG1  ILE  61          1HG1      ILE  61  48.840  -5.802  -9.202
  435   2HG1  ILE  61          2HG1      ILE  61  50.554  -5.497  -8.946
  436   1HG2  ILE  61          1HG2      ILE  61  51.634  -6.142  -6.801
  437   2HG2  ILE  61          2HG2      ILE  61  51.118  -7.813  -7.026
  438   3HG2  ILE  61          3HG2      ILE  61  50.697  -6.953  -5.545
  439   1HD1  ILE  61          1HD1      ILE  61  49.299  -8.205  -9.339
  440   2HD1  ILE  61          2HD1      ILE  61  51.020  -7.873  -9.129
  441   3HD1  ILE  61          3HD1      ILE  61  50.176  -7.282 -10.560
  442    H    SER  62           H        SER  62  48.825  -9.379  -5.521
  443    HA   SER  62           HA       SER  62  47.436  -8.677  -3.174
  444   1HB   SER  62          1HB       SER  62  49.801 -10.553  -3.422
  445   2HB   SER  62          2HB       SER  62  48.562 -10.573  -2.165
  446    HG   SER  62           HG       SER  62  47.178 -10.738  -4.314
  447    H    LYS  63           H        LYS  63  48.167  -7.847  -1.189
  448    HA   LYS  63           HA       LYS  63  49.871  -5.628  -1.519
  449   1HB   LYS  63          1HB       LYS  63  47.950  -5.801   0.088
  450   2HB   LYS  63          2HB       LYS  63  48.972  -6.805   1.108
  451   1HG   LYS  63          1HG       LYS  63  50.587  -4.943   1.260
  452   2HG   LYS  63          2HG       LYS  63  49.480  -3.943   0.320
  453   1HD   LYS  63          1HD       LYS  63  49.199  -3.435   2.649
  454   2HD   LYS  63          2HD       LYS  63  47.763  -4.289   2.079
  455   1HE   LYS  63          1HE       LYS  63  48.526  -6.340   3.076
  456   2HE   LYS  63          2HE       LYS  63  50.066  -5.601   3.514
  457   1HZ   LYS  63          1HZ       LYS  63  48.892  -4.107   5.002
  458   2HZ   LYS  63          2HZ       LYS  63  48.565  -5.721   5.405
  459   3HZ   LYS  63          3HZ       LYS  63  47.406  -4.806   4.578
  460    H    LYS  64           H        LYS  64  50.461  -8.835  -0.241
  461    HA   LYS  64           HA       LYS  64  52.978  -8.145   0.947
  462   1HB   LYS  64          1HB       LYS  64  51.539 -10.057   1.693
  463   2HB   LYS  64          2HB       LYS  64  51.956 -10.894   0.205
  464   1HG   LYS  64          1HG       LYS  64  54.267 -11.004   0.850
  465   2HG   LYS  64          2HG       LYS  64  53.958 -10.003   2.271
  466   1HD   LYS  64          1HD       LYS  64  52.484 -11.741   3.171
  467   2HD   LYS  64          2HD       LYS  64  52.797 -12.740   1.752
  468   1HE   LYS  64          1HE       LYS  64  54.891 -11.817   3.718
  469   2HE   LYS  64          2HE       LYS  64  54.131 -13.407   3.724
  470   1HZ   LYS  64          1HZ       LYS  64  54.991 -13.645   1.390
  471   2HZ   LYS  64          2HZ       LYS  64  56.163 -13.657   2.608
  472   3HZ   LYS  64          3HZ       LYS  64  55.939 -12.264   1.671
  473    H    ARG  65           H        ARG  65  51.941  -8.641  -2.212
  474    HA   ARG  65           HA       ARG  65  54.604  -9.457  -3.145
  475   1HB   ARG  65          1HB       ARG  65  51.996  -9.294  -4.672
  476   2HB   ARG  65          2HB       ARG  65  53.520  -9.901  -5.302
  477   1HG   ARG  65          1HG       ARG  65  53.462 -11.723  -3.666
  478   2HG   ARG  65          2HG       ARG  65  51.915 -11.122  -3.065
  479   1HD   ARG  65          1HD       ARG  65  50.972 -11.423  -5.338
  480   2HD   ARG  65          2HD       ARG  65  52.502 -12.139  -5.841
  481    HE   ARG  65           HE       ARG  65  51.664 -13.557  -3.612
  482   1HH1  ARG  65          1HH1      ARG  65  50.530 -12.949  -6.882
  483   2HH1  ARG  65          2HH1      ARG  65  49.660 -14.451  -6.987
  484   1HH2  ARG  65          1HH2      ARG  65  50.518 -15.531  -3.765
  485   2HH2  ARG  65          2HH2      ARG  65  49.638 -15.904  -5.218
  486    H    VAL  66           H        VAL  66  53.015  -6.712  -2.448
  487    HA   VAL  66           HA       VAL  66  53.504  -5.153  -4.795
  488    HB   VAL  66           HB       VAL  66  52.901  -4.286  -1.960
  489   1HG1  VAL  66          1HG1      VAL  66  52.323  -2.116  -2.918
  490   2HG1  VAL  66          2HG1      VAL  66  52.837  -2.675  -4.509
  491   3HG1  VAL  66          3HG1      VAL  66  54.017  -2.509  -3.209
  492   1HG2  VAL  66          1HG2      VAL  66  50.631  -3.903  -2.802
  493   2HG2  VAL  66          2HG2      VAL  66  51.108  -5.594  -2.952
  494   3HG2  VAL  66          3HG2      VAL  66  51.108  -4.549  -4.372
  495    H    GLU  67           H        GLU  67  55.187  -3.810  -5.248
  496    HA   GLU  67           HA       GLU  67  57.631  -4.242  -3.747
  497   1HB   GLU  67          1HB       GLU  67  57.673  -4.330  -6.207
  498   2HB   GLU  67          2HB       GLU  67  57.110  -2.667  -6.279
  499   1HG   GLU  67          1HG       GLU  67  59.142  -1.855  -5.351
  500   2HG   GLU  67          2HG       GLU  67  59.687  -3.488  -4.970
  501    H    PHE  68           H        PHE  68  57.755  -3.083  -1.939
  502    HA   PHE  68           HA       PHE  68  56.802  -0.320  -1.926
  503   1HB   PHE  68          1HB       PHE  68  57.677  -2.166   0.303
  504   2HB   PHE  68          2HB       PHE  68  57.257  -0.475   0.548
  505    HD1  PHE  68           HD1      PHE  68  54.942   0.288   0.173
  506    HD2  PHE  68           HD2      PHE  68  56.008  -3.830   0.029
  507    HE1  PHE  68           HE1      PHE  68  52.575  -0.330   0.437
  508    HE2  PHE  68           HE2      PHE  68  53.643  -4.454   0.289
  509    HZ   PHE  68           HZ       PHE  68  51.924  -2.705   0.494
  510    H    VAL  69           H        VAL  69  58.238   1.091  -2.628
  511    HA   VAL  69           HA       VAL  69  61.065   0.707  -1.948
  512    HB   VAL  69           HB       VAL  69  61.528   2.478  -3.609
  513   1HG1  VAL  69          1HG1      VAL  69  61.555   0.133  -4.283
  514   2HG1  VAL  69          2HG1      VAL  69  60.995   1.162  -5.600
  515   3HG1  VAL  69          3HG1      VAL  69  59.836   0.215  -4.667
  516   1HG2  VAL  69          1HG2      VAL  69  58.560   2.372  -4.138
  517   2HG2  VAL  69          2HG2      VAL  69  59.745   3.246  -5.108
  518   3HG2  VAL  69          3HG2      VAL  69  59.444   3.726  -3.439
  519    H    LEU  70           H        LEU  70  62.279   2.438  -1.050
  520    HA   LEU  70           HA       LEU  70  60.743   3.814   0.976
  521   1HB   LEU  70          1HB       LEU  70  63.029   2.608   1.219
  522   2HB   LEU  70          2HB       LEU  70  63.704   4.081   0.550
  523    HG   LEU  70           HG       LEU  70  62.650   5.347   2.432
  524   1HD1  LEU  70          1HD1      LEU  70  60.884   3.760   2.978
  525   2HD1  LEU  70          2HD1      LEU  70  61.897   4.083   4.386
  526   3HD1  LEU  70          3HD1      LEU  70  62.090   2.578   3.487
  527   1HD2  LEU  70          1HD2      LEU  70  64.294   4.661   4.089
  528   2HD2  LEU  70          2HD2      LEU  70  65.005   4.673   2.475
  529   3HD2  LEU  70          3HD2      LEU  70  64.550   3.144   3.227
  530    H    ALA  71           H        ALA  71  59.769   5.655   0.407
  531    HA   ALA  71           HA       ALA  71  60.991   7.384  -1.600
  532   1HB   ALA  71          1HB       ALA  71  58.276   7.539  -0.293
  533   2HB   ALA  71          2HB       ALA  71  58.627   6.812  -1.861
  534   3HB   ALA  71          3HB       ALA  71  58.844   8.546  -1.624
  Start of MODEL   15
    1    H    MET   1           H        MET   1  63.564  -7.875   7.304
    2    HA   MET   1           HA       MET   1  61.710  -6.911   6.070
    3   1HB   MET   1          1HB       MET   1  60.138  -8.618   7.990
    4   2HB   MET   1          2HB       MET   1  59.434  -7.204   7.220
    5   1HG   MET   1          1HG       MET   1  58.803  -9.140   5.982
    6   2HG   MET   1          2HG       MET   1  59.940  -8.204   5.018
    7   1HE   MET   1          1HE       MET   1  60.963 -12.160   7.175
    8   2HE   MET   1          2HE       MET   1  59.335 -11.487   7.076
    9   3HE   MET   1          3HE       MET   1  60.569 -10.675   8.040
   10    H    GLU   2           H        GLU   2  63.525  -6.695   8.546
   11    HA   GLU   2           HA       GLU   2  62.059  -4.553   9.905
   12   1HB   GLU   2          1HB       GLU   2  63.916  -4.676  11.596
   13   2HB   GLU   2          2HB       GLU   2  62.918  -6.116  11.492
   14   1HG   GLU   2          1HG       GLU   2  65.619  -5.818  10.190
   15   2HG   GLU   2          2HG       GLU   2  65.342  -6.566  11.761
   16    H    LEU   3           H        LEU   3  62.265  -2.818   8.622
   17    HA   LEU   3           HA       LEU   3  64.816  -2.180   7.408
   18   1HB   LEU   3          1HB       LEU   3  62.108  -0.864   7.291
   19   2HB   LEU   3          2HB       LEU   3  63.532  -0.146   6.566
   20    HG   LEU   3           HG       LEU   3  63.756  -2.292   5.209
   21   1HD1  LEU   3          1HD1      LEU   3  60.906  -2.673   6.112
   22   2HD1  LEU   3          2HD1      LEU   3  62.273  -3.688   6.569
   23   3HD1  LEU   3          3HD1      LEU   3  61.754  -3.618   4.886
   24   1HD2  LEU   3          1HD2      LEU   3  62.102  -1.558   3.564
   25   2HD2  LEU   3          2HD2      LEU   3  62.991  -0.197   4.248
   26   3HD2  LEU   3          3HD2      LEU   3  61.344  -0.535   4.784
   27    H    HIS   4           H        HIS   4  65.699   0.036   7.616
   28    HA   HIS   4           HA       HIS   4  65.401   1.016  10.384
   29   1HB   HIS   4          1HB       HIS   4  67.790   1.257   8.538
   30   2HB   HIS   4          2HB       HIS   4  67.694   1.890  10.176
   31    HD1  HIS   4           HD1      HIS   4  69.207  -0.738   8.486
   32    HD2  HIS   4           HD2      HIS   4  66.942  -0.549  11.971
   33    HE1  HIS   4           HE1      HIS   4  69.790  -2.812   9.789
   34    HE2  HIS   4           HE2      HIS   4  68.251  -2.774  11.790
   35    H    CYS   5           H        CYS   5  65.475   3.286  10.725
   36    HA   CYS   5           HA       CYS   5  64.115   4.807   8.707
   37   1HB   CYS   5          1HB       CYS   5  63.806   4.994  11.232
   38   2HB   CYS   5          2HB       CYS   5  65.357   5.817  11.278
   39    HA   PRO   6           HA       PRO   6  67.742   5.577   6.313
   40   1HB   PRO   6          1HB       PRO   6  66.259   8.102   5.698
   41   2HB   PRO   6          2HB       PRO   6  67.059   6.969   4.599
   42   1HG   PRO   6          1HG       PRO   6  64.419   6.931   4.874
   43   2HG   PRO   6          2HG       PRO   6  65.333   5.419   4.735
   44   1HD   PRO   6          1HD       PRO   6  64.063   6.651   7.127
   45   2HD   PRO   6          2HD       PRO   6  64.296   4.938   6.726
   46    H    GLN   7           H        GLN   7  66.524   8.143   8.437
   47    HA   GLN   7           HA       GLN   7  69.079   9.530   8.279
   48   1HB   GLN   7          1HB       GLN   7  66.856  10.733   8.273
   49   2HB   GLN   7          2HB       GLN   7  66.680  10.260   9.958
   50   1HG   GLN   7          1HG       GLN   7  68.850  11.426  10.409
   51   2HG   GLN   7          2HG       GLN   7  68.774  12.053   8.764
   52   1HE2  GLN   7          1HE2      GLN   7  65.769  12.186   9.020
   53   2HE2  GLN   7          2HE2      GLN   7  65.496  13.631   9.927
   54    H    CYS   8           H        CYS   8  67.005   8.718  11.053
   55    HA   CYS   8           HA       CYS   8  69.315   8.776  12.789
   56   1HB   CYS   8          1HB       CYS   8  67.525   8.455  14.564
   57   2HB   CYS   8          2HB       CYS   8  67.400   9.917  13.585
   58    H    GLN   9           H        GLN   9  68.130   6.414  10.917
   59    HA   GLN   9           HA       GLN   9  68.235   4.174  10.846
   60   1HB   GLN   9          1HB       GLN   9  70.143   4.569  13.154
   61   2HB   GLN   9          2HB       GLN   9  69.868   3.024  12.360
   62   1HG   GLN   9          1HG       GLN   9  70.837   5.499  10.948
   63   2HG   GLN   9          2HG       GLN   9  71.895   4.242  11.586
   64   1HE2  GLN   9          1HE2      GLN   9  72.715   3.739   9.571
   65   2HE2  GLN   9          2HE2      GLN   9  71.785   2.896   8.376
   66    H    HIS  10           H        HIS  10  68.783   3.703  14.216
   67    HA   HIS  10           HA       HIS  10  67.626   2.512  15.756
   68   1HB   HIS  10          1HB       HIS  10  66.515   4.742  15.922
   69   2HB   HIS  10          2HB       HIS  10  65.274   4.166  14.816
   70    HD1  HIS  10           HD1      HIS  10  63.221   3.608  16.081
   71    HD2  HIS  10           HD2      HIS  10  66.646   2.654  18.225
   72    HE1  HIS  10           HE1      HIS  10  62.408   2.617  18.240
   73    HE2  HIS  10           HE2      HIS  10  64.499   1.849  19.421
   74    H    VAL  11           H        VAL  11  64.694   2.819  13.863
   75    HA   VAL  11           HA       VAL  11  64.815   0.471  12.373
   76    HB   VAL  11           HB       VAL  11  64.886  -0.613  14.632
   77   1HG1  VAL  11          1HG1      VAL  11  62.829  -0.694  15.974
   78   2HG1  VAL  11          2HG1      VAL  11  62.102   0.508  14.908
   79   3HG1  VAL  11          3HG1      VAL  11  63.507   0.933  15.885
   80   1HG2  VAL  11          1HG2      VAL  11  62.456  -1.204  12.949
   81   2HG2  VAL  11          2HG2      VAL  11  63.139  -2.285  14.163
   82   3HG2  VAL  11          3HG2      VAL  11  64.077  -1.866  12.729
   83    H    LEU  12           H        LEU  12  62.972   0.221  11.118
   84    HA   LEU  12           HA       LEU  12  60.916   2.284  11.444
   85   1HB   LEU  12          1HB       LEU  12  61.694   0.495   9.152
   86   2HB   LEU  12          2HB       LEU  12  60.182   1.380   9.158
   87    HG   LEU  12           HG       LEU  12  62.921   2.642   9.315
   88   1HD1  LEU  12          1HD1      LEU  12  62.475   3.365   7.017
   89   2HD1  LEU  12          2HD1      LEU  12  60.976   2.433   7.017
   90   3HD1  LEU  12          3HD1      LEU  12  62.530   1.608   7.144
   91   1HD2  LEU  12          1HD2      LEU  12  60.171   3.841   8.993
   92   2HD2  LEU  12          2HD2      LEU  12  61.693   4.728   8.910
   93   3HD2  LEU  12          3HD2      LEU  12  61.199   3.964  10.421
   94    H    ASP  13           H        ASP  13  59.523   1.529  12.962
   95    HA   ASP  13           HA       ASP  13  58.471  -1.171  12.712
   96   1HB   ASP  13          1HB       ASP  13  58.967  -0.028  14.952
   97   2HB   ASP  13          2HB       ASP  13  57.519   0.929  14.653
   98    H    GLN  14           H        GLN  14  57.330  -1.193  10.875
   99    HA   GLN  14           HA       GLN  14  55.841   1.049   9.946
  100   1HB   GLN  14          1HB       GLN  14  55.837  -1.787   8.904
  101   2HB   GLN  14          2HB       GLN  14  55.343  -0.341   8.031
  102   1HG   GLN  14          1HG       GLN  14  57.603   0.498   8.058
  103   2HG   GLN  14          2HG       GLN  14  58.127  -0.863   9.048
  104   1HE2  GLN  14          1HE2      GLN  14  57.224   0.199   5.884
  105   2HE2  GLN  14          2HE2      GLN  14  57.716  -1.225   5.044
  106    H    ASP  15           H        ASP  15  53.807   1.564  10.326
  107    HA   ASP  15           HA       ASP  15  52.107   0.064  12.016
  108   1HB   ASP  15          1HB       ASP  15  51.361   2.278  10.091
  109   2HB   ASP  15          2HB       ASP  15  50.372   1.697  11.422
  110    H    ASN  16           H        ASN  16  51.853   0.825   8.571
  111    HA   ASN  16           HA       ASN  16  51.104  -1.764   7.759
  112   1HB   ASN  16          1HB       ASN  16  49.000  -0.987   8.997
  113   2HB   ASN  16          2HB       ASN  16  48.797   0.195   7.710
  114   1HD2  ASN  16          1HD2      ASN  16  47.082  -2.008   8.497
  115   2HD2  ASN  16          2HD2      ASN  16  46.903  -3.010   7.098
  116    H    GLY  17           H        GLY  17  50.246   1.614   6.981
  117   1HA   GLY  17          1HA       GLY  17  51.425   1.185   4.308
  118   2HA   GLY  17          2HA       GLY  17  50.072   2.263   4.617
  119    H    HIS  18           H        HIS  18  52.492   2.284   7.007
  120    HA   HIS  18           HA       HIS  18  53.864   4.568   5.787
  121   1HB   HIS  18          1HB       HIS  18  52.383   4.556   8.398
  122   2HB   HIS  18          2HB       HIS  18  53.813   5.564   8.216
  123    HD1  HIS  18           HD1      HIS  18  50.463   6.103   8.304
  124    HD2  HIS  18           HD2      HIS  18  53.299   6.968   5.383
  125    HE1  HIS  18           HE1      HIS  18  49.495   7.990   6.952
  126    HE2  HIS  18           HE2      HIS  18  51.327   8.646   5.358
  127    H    ALA  19           H        ALA  19  56.013   4.644   6.210
  128    HA   ALA  19           HA       ALA  19  57.129   2.596   7.965
  129   1HB   ALA  19          1HB       ALA  19  58.132   2.876   5.748
  130   2HB   ALA  19          2HB       ALA  19  59.291   3.261   7.020
  131   3HB   ALA  19          3HB       ALA  19  58.503   4.558   6.122
  132    H    ARG  20           H        ARG  20  56.649   3.351   9.997
  133    HA   ARG  20           HA       ARG  20  57.373   6.116  10.634
  134   1HB   ARG  20          1HB       ARG  20  55.094   5.657  11.151
  135   2HB   ARG  20          2HB       ARG  20  55.507   4.148  11.952
  136   1HG   ARG  20          1HG       ARG  20  56.464   5.297  13.802
  137   2HG   ARG  20          2HG       ARG  20  56.373   6.847  12.962
  138   1HD   ARG  20          1HD       ARG  20  53.871   5.286  13.401
  139   2HD   ARG  20          2HD       ARG  20  54.576   6.165  14.757
  140    HE   ARG  20           HE       ARG  20  54.296   8.208  13.503
  141   1HH1  ARG  20          1HH1      ARG  20  52.688   5.405  12.119
  142   2HH1  ARG  20          2HH1      ARG  20  51.494   6.367  11.296
  143   1HH2  ARG  20          1HH2      ARG  20  52.722   9.440  12.421
  144   2HH2  ARG  20          2HH2      ARG  20  51.500   8.644  11.471
  145    H    CYS  21           H        CYS  21  59.242   6.432  11.547
  146    HA   CYS  21           HA       CYS  21  60.559   4.370  13.096
  147   1HB   CYS  21          1HB       CYS  21  61.853   5.870  11.604
  148   2HB   CYS  21          2HB       CYS  21  61.339   7.248  12.566
  149    H    ARG  22           H        ARG  22  59.222   4.075  14.848
  150    HA   ARG  22           HA       ARG  22  58.036   6.141  16.342
  151   1HB   ARG  22          1HB       ARG  22  58.685   3.348  17.288
  152   2HB   ARG  22          2HB       ARG  22  57.460   4.425  17.946
  153   1HG   ARG  22          1HG       ARG  22  56.235   4.316  15.826
  154   2HG   ARG  22          2HG       ARG  22  57.455   3.212  15.188
  155   1HD   ARG  22          1HD       ARG  22  56.915   1.687  17.117
  156   2HD   ARG  22          2HD       ARG  22  55.550   2.747  17.472
  157    HE   ARG  22           HE       ARG  22  55.816   1.455  14.836
  158   1HH1  ARG  22          1HH1      ARG  22  53.991   2.074  17.757
  159   2HH1  ARG  22          2HH1      ARG  22  52.574   1.244  17.197
  160   1HH2  ARG  22          1HH2      ARG  22  53.965   0.347  14.106
  161   2HH2  ARG  22          2HH2      ARG  22  52.561   0.262  15.118
  162    H    SER  23           H        SER  23  59.534   7.656  16.872
  163    HA   SER  23           HA       SER  23  60.877   7.629  19.259
  164   1HB   SER  23          1HB       SER  23  62.346   5.877  18.231
  165   2HB   SER  23          2HB       SER  23  62.793   7.033  16.979
  166    HG   SER  23           HG       SER  23  63.740   8.331  18.569
  167    H    CYS  24           H        CYS  24  61.416   8.583  15.881
  168    HA   CYS  24           HA       CYS  24  62.300  11.217  16.757
  169   1HB   CYS  24          1HB       CYS  24  62.924  11.515  14.355
  170   2HB   CYS  24          2HB       CYS  24  63.729  10.163  15.144
  171    H    GLY  25           H        GLY  25  59.462   9.736  15.638
  172   1HA   GLY  25          1HA       GLY  25  57.396  10.737  15.187
  173   2HA   GLY  25          2HA       GLY  25  58.195  12.307  15.149
  174    H    GLU  26           H        GLU  26  60.208  11.734  13.374
  175    HA   GLU  26           HA       GLU  26  59.314  12.088  10.825
  176   1HB   GLU  26          1HB       GLU  26  61.568  12.430  11.070
  177   2HB   GLU  26          2HB       GLU  26  61.778  11.029  12.101
  178   1HG   GLU  26          1HG       GLU  26  61.392   9.685   9.915
  179   2HG   GLU  26          2HG       GLU  26  61.800  11.212   9.128
  180    H    PHE  27           H        PHE  27  57.780  10.902   9.888
  181    HA   PHE  27           HA       PHE  27  58.273   8.024   9.583
  182   1HB   PHE  27          1HB       PHE  27  55.888   7.575   9.636
  183   2HB   PHE  27          2HB       PHE  27  56.350   8.411  11.110
  184    HD1  PHE  27           HD1      PHE  27  55.993  11.008  11.090
  185    HD2  PHE  27           HD2      PHE  27  54.066   8.288   8.447
  186    HE1  PHE  27           HE1      PHE  27  54.215  12.660  10.692
  187    HE2  PHE  27           HE2      PHE  27  52.287   9.937   8.042
  188    HZ   PHE  27           HZ       PHE  27  52.361  12.124   9.164
  189    H    ILE  28           H        ILE  28  58.089   7.233   7.544
  190    HA   ILE  28           HA       ILE  28  57.777   9.304   5.473
  191    HB   ILE  28           HB       ILE  28  59.411   6.762   5.316
  192   1HG1  ILE  28          1HG1      ILE  28  60.319   9.623   5.731
  193   2HG1  ILE  28          2HG1      ILE  28  60.316   8.369   6.966
  194   1HG2  ILE  28          1HG2      ILE  28  58.616   7.562   3.145
  195   2HG2  ILE  28          2HG2      ILE  28  60.362   7.756   3.298
  196   3HG2  ILE  28          3HG2      ILE  28  59.300   9.153   3.479
  197   1HD1  ILE  28          1HD1      ILE  28  61.943   7.093   5.667
  198   2HD1  ILE  28          2HD1      ILE  28  62.537   8.706   6.061
  199   3HD1  ILE  28          3HD1      ILE  28  61.947   8.360   4.437
  200    H    GLU  29           H        GLU  29  56.381   8.995   3.830
  201    HA   GLU  29           HA       GLU  29  54.581   6.778   3.826
  202   1HB   GLU  29          1HB       GLU  29  55.064   9.022   1.865
  203   2HB   GLU  29          2HB       GLU  29  53.872   7.764   1.584
  204   1HG   GLU  29          1HG       GLU  29  52.773   9.691   2.463
  205   2HG   GLU  29          2HG       GLU  29  52.742   8.415   3.679
  206    H    MET  30           H        MET  30  54.338   5.257   2.069
  207    HA   MET  30           HA       MET  30  56.900   4.705   0.733
  208   1HB   MET  30          1HB       MET  30  54.952   2.633   1.763
  209   2HB   MET  30          2HB       MET  30  56.514   2.329   1.014
  210   1HG   MET  30          1HG       MET  30  57.567   3.576   2.908
  211   2HG   MET  30          2HG       MET  30  55.983   3.610   3.677
  212   1HE   MET  30          1HE       MET  30  58.495  -0.169   2.886
  213   2HE   MET  30          2HE       MET  30  59.078   1.483   2.675
  214   3HE   MET  30          3HE       MET  30  57.848   0.835   1.586
  215    H    LYS  31           H        LYS  31  56.829   4.199  -1.381
  216    HA   LYS  31           HA       LYS  31  54.328   4.776  -2.732
  217   1HB   LYS  31          1HB       LYS  31  57.071   4.163  -3.850
  218   2HB   LYS  31          2HB       LYS  31  55.685   4.698  -4.789
  219   1HG   LYS  31          1HG       LYS  31  55.680   6.822  -3.635
  220   2HG   LYS  31          2HG       LYS  31  57.002   6.284  -2.597
  221   1HD   LYS  31          1HD       LYS  31  58.445   6.051  -4.559
  222   2HD   LYS  31          2HD       LYS  31  57.125   6.595  -5.596
  223   1HE   LYS  31          1HE       LYS  31  57.119   8.757  -4.522
  224   2HE   LYS  31          2HE       LYS  31  58.333   8.218  -3.363
  225   1HZ   LYS  31          1HZ       LYS  31  58.727   8.469  -6.299
  226   2HZ   LYS  31          2HZ       LYS  31  59.893   7.933  -5.191
  227   3HZ   LYS  31          3HZ       LYS  31  59.331   9.530  -5.120
  228    H    ALA  32           H        ALA  32  52.955   3.277  -3.322
  229    HA   ALA  32           HA       ALA  32  53.681   0.485  -3.249
  230   1HB   ALA  32          1HB       ALA  32  51.519   1.230  -2.359
  231   2HB   ALA  32          2HB       ALA  32  51.321   0.064  -3.667
  232   3HB   ALA  32          3HB       ALA  32  51.052   1.780  -3.969
  233    H    LEU  33           H        LEU  33  55.061   0.103  -4.932
  234    HA   LEU  33           HA       LEU  33  54.103   0.744  -7.635
  235   1HB   LEU  33          1HB       LEU  33  56.834  -0.212  -6.765
  236   2HB   LEU  33          2HB       LEU  33  56.380   0.306  -8.377
  237    HG   LEU  33           HG       LEU  33  56.542   2.055  -5.919
  238   1HD1  LEU  33          1HD1      LEU  33  58.209   1.966  -8.428
  239   2HD1  LEU  33          2HD1      LEU  33  58.713   1.427  -6.826
  240   3HD1  LEU  33          3HD1      LEU  33  58.375   3.134  -7.117
  241   1HD2  LEU  33          1HD2      LEU  33  55.818   2.777  -8.759
  242   2HD2  LEU  33          2HD2      LEU  33  56.066   3.914  -7.434
  243   3HD2  LEU  33          3HD2      LEU  33  54.721   2.775  -7.378
  244    H    CYS  34           H        CYS  34  54.417  -0.925  -9.298
  245    HA   CYS  34           HA       CYS  34  53.603  -3.530  -8.322
  246   1HB   CYS  34          1HB       CYS  34  52.606  -2.417 -10.358
  247   2HB   CYS  34          2HB       CYS  34  54.144  -2.670 -11.174
  248    HA   PRO  35           HA       PRO  35  57.711  -5.077  -7.912
  249   1HB   PRO  35          1HB       PRO  35  57.140  -7.751  -8.390
  250   2HB   PRO  35          2HB       PRO  35  56.969  -6.937  -6.832
  251   1HG   PRO  35          1HG       PRO  35  54.895  -7.538  -8.898
  252   2HG   PRO  35          2HG       PRO  35  54.781  -7.636  -7.131
  253   1HD   PRO  35          1HD       PRO  35  53.710  -5.586  -8.470
  254   2HD   PRO  35          2HD       PRO  35  54.501  -5.338  -6.898
  255    H    ASP  36           H        ASP  36  55.777  -6.060 -10.694
  256    HA   ASP  36           HA       ASP  36  58.078  -6.964 -12.172
  257   1HB   ASP  36          1HB       ASP  36  56.281  -7.101 -14.059
  258   2HB   ASP  36          2HB       ASP  36  56.220  -8.232 -12.715
  259    H    CYS  37           H        CYS  37  55.587  -4.648 -13.229
  260    HA   CYS  37           HA       CYS  37  57.393  -3.469 -15.092
  261   1HB   CYS  37          1HB       CYS  37  55.393  -1.840 -15.374
  262   2HB   CYS  37          2HB       CYS  37  55.200  -3.524 -15.851
  263    H    HIS  38           H        HIS  38  56.917  -2.911 -11.818
  264    HA   HIS  38           HA       HIS  38  57.700  -1.384 -10.354
  265   1HB   HIS  38          1HB       HIS  38  59.405  -0.818 -12.730
  266   2HB   HIS  38          2HB       HIS  38  59.439   0.315 -11.383
  267    HD1  HIS  38           HD1      HIS  38  60.918  -0.267  -9.474
  268    HD2  HIS  38           HD2      HIS  38  60.121  -3.542 -11.918
  269    HE1  HIS  38           HE1      HIS  38  62.351  -2.137  -8.595
  270    HE2  HIS  38           HE2      HIS  38  61.990  -4.045 -10.200
  271    H    GLN  39           H        GLN  39  55.597  -0.631 -12.640
  272    HA   GLN  39           HA       GLN  39  55.549   2.231 -12.223
  273   1HB   GLN  39          1HB       GLN  39  53.653   0.399 -13.711
  274   2HB   GLN  39          2HB       GLN  39  53.518   2.154 -13.658
  275   1HG   GLN  39          1HG       GLN  39  55.764   2.312 -14.690
  276   2HG   GLN  39          2HG       GLN  39  55.780   0.556 -14.834
  277   1HE2  GLN  39          1HE2      GLN  39  55.935   0.642 -17.065
  278   2HE2  GLN  39          2HE2      GLN  39  54.606   1.104 -18.075
  279    HA   PRO  40           HA       PRO  40  53.251   2.397  -8.546
  280   1HB   PRO  40          1HB       PRO  40  51.430   4.398  -9.230
  281   2HB   PRO  40          2HB       PRO  40  53.048   4.645  -8.567
  282   1HG   PRO  40          1HG       PRO  40  52.116   4.770 -11.397
  283   2HG   PRO  40          2HG       PRO  40  53.332   5.757 -10.566
  284   1HD   PRO  40          1HD       PRO  40  54.040   3.807 -12.256
  285   2HD   PRO  40          2HD       PRO  40  54.976   4.137 -10.782
  286    H    LEU  41           H        LEU  41  51.516   1.527  -7.608
  287    HA   LEU  41           HA       LEU  41  49.539   0.277  -9.345
  288   1HB   LEU  41          1HB       LEU  41  50.092  -0.002  -6.388
  289   2HB   LEU  41          2HB       LEU  41  48.851  -0.890  -7.253
  290    HG   LEU  41           HG       LEU  41  51.817  -1.074  -7.795
  291   1HD1  LEU  41          1HD1      LEU  41  49.943  -3.011  -6.446
  292   2HD1  LEU  41          2HD1      LEU  41  51.199  -2.062  -5.651
  293   3HD1  LEU  41          3HD1      LEU  41  51.639  -3.302  -6.826
  294   1HD2  LEU  41          1HD2      LEU  41  50.440  -1.452  -9.780
  295   2HD2  LEU  41          2HD2      LEU  41  49.507  -2.663  -8.899
  296   3HD2  LEU  41          3HD2      LEU  41  51.216  -2.938  -9.234
  297    H    GLN  42           H        GLN  42  47.423   0.805  -9.386
  298    HA   GLN  42           HA       GLN  42  46.632   3.320  -8.273
  299   1HB   GLN  42          1HB       GLN  42  45.808   2.491 -10.461
  300   2HB   GLN  42          2HB       GLN  42  44.952   1.199  -9.631
  301   1HG   GLN  42          1HG       GLN  42  43.541   2.801  -8.508
  302   2HG   GLN  42          2HG       GLN  42  44.444   4.137  -9.224
  303   1HE2  GLN  42          1HE2      GLN  42  44.154   4.623 -11.396
  304   2HE2  GLN  42          2HE2      GLN  42  42.827   3.997 -12.312
  305    H    VAL  43           H        VAL  43  46.163   3.545  -6.211
  306    HA   VAL  43           HA       VAL  43  45.540   1.335  -4.521
  307    HB   VAL  43           HB       VAL  43  45.428   4.297  -3.917
  308   1HG1  VAL  43          1HG1      VAL  43  44.142   2.996  -2.317
  309   2HG1  VAL  43          2HG1      VAL  43  45.614   3.614  -1.570
  310   3HG1  VAL  43          3HG1      VAL  43  45.520   1.922  -2.060
  311   1HG2  VAL  43          1HG2      VAL  43  47.644   3.964  -2.911
  312   2HG2  VAL  43          2HG2      VAL  43  47.648   3.612  -4.638
  313   3HG2  VAL  43          3HG2      VAL  43  47.638   2.290  -3.471
  314    H    LEU  44           H        LEU  44  43.623   0.433  -4.349
  315    HA   LEU  44           HA       LEU  44  41.220   2.016  -4.977
  316   1HB   LEU  44          1HB       LEU  44  41.448  -0.988  -4.812
  317   2HB   LEU  44          2HB       LEU  44  40.115  -0.060  -5.465
  318    HG   LEU  44           HG       LEU  44  42.867  -0.293  -6.688
  319   1HD1  LEU  44          1HD1      LEU  44  41.699  -1.550  -8.444
  320   2HD1  LEU  44          2HD1      LEU  44  40.205  -1.449  -7.511
  321   3HD1  LEU  44          3HD1      LEU  44  41.584  -2.347  -6.875
  322   1HD2  LEU  44          1HD2      LEU  44  40.390   1.095  -7.699
  323   2HD2  LEU  44          2HD2      LEU  44  41.903   0.900  -8.587
  324   3HD2  LEU  44          3HD2      LEU  44  41.857   1.885  -7.122
  325    H    LYS  45           H        LYS  45  40.890   2.938  -2.902
  326    HA   LYS  45           HA       LYS  45  40.439   1.027  -0.727
  327   1HB   LYS  45          1HB       LYS  45  41.762   3.066  -0.226
  328   2HB   LYS  45          2HB       LYS  45  40.364   4.051  -0.642
  329   1HG   LYS  45          1HG       LYS  45  39.091   2.955   1.168
  330   2HG   LYS  45          2HG       LYS  45  40.544   2.060   1.613
  331   1HD   LYS  45          1HD       LYS  45  40.271   3.973   3.072
  332   2HD   LYS  45          2HD       LYS  45  41.693   4.197   2.051
  333   1HE   LYS  45          1HE       LYS  45  40.542   5.733   0.647
  334   2HE   LYS  45          2HE       LYS  45  38.991   5.349   1.393
  335   1HZ   LYS  45          1HZ       LYS  45  39.605   6.440   3.368
  336   2HZ   LYS  45          2HZ       LYS  45  40.074   7.485   2.115
  337   3HZ   LYS  45          3HZ       LYS  45  41.235   6.543   2.915
  338    H    ALA  46           H        ALA  46  38.502   0.143  -0.684
  339    HA   ALA  46           HA       ALA  46  36.190   1.770  -1.515
  340   1HB   ALA  46          1HB       ALA  46  35.037  -0.319  -1.992
  341   2HB   ALA  46          2HB       ALA  46  36.431  -1.239  -1.426
  342   3HB   ALA  46          3HB       ALA  46  36.562  -0.241  -2.874
  343    H    CYS  47           H        CYS  47  35.865   2.765   0.454
  344    HA   CYS  47           HA       CYS  47  34.880   3.083   2.461
  345   1HB   CYS  47          1HB       CYS  47  33.093   1.628   1.599
  346   2HB   CYS  47          2HB       CYS  47  33.959   0.213   2.184
  347    HG   CYS  47           HG       CYS  47  32.299   0.237   4.189
  348    H    GLY  48           H        GLY  48  35.894  -0.343   2.749
  349   1HA   GLY  48          1HA       GLY  48  37.518   0.502   5.073
  350   2HA   GLY  48          2HA       GLY  48  36.608  -1.000   5.036
  351    H    ALA  49           H        ALA  49  37.236  -1.905   2.479
  352    HA   ALA  49           HA       ALA  49  39.900  -2.895   2.993
  353   1HB   ALA  49          1HB       ALA  49  38.142  -4.433   2.297
  354   2HB   ALA  49          2HB       ALA  49  39.471  -4.420   1.137
  355   3HB   ALA  49          3HB       ALA  49  37.974  -3.562   0.774
  356    H    VAL  50           H        VAL  50  41.576  -2.928   1.395
  357    HA   VAL  50           HA       VAL  50  41.395  -0.876  -0.680
  358    HB   VAL  50           HB       VAL  50  42.435   0.248   1.207
  359   1HG1  VAL  50          1HG1      VAL  50  44.576  -0.504   2.135
  360   2HG1  VAL  50          2HG1      VAL  50  44.476  -1.972   1.160
  361   3HG1  VAL  50          3HG1      VAL  50  43.282  -1.667   2.423
  362   1HG2  VAL  50          1HG2      VAL  50  43.220   0.823  -1.021
  363   2HG2  VAL  50          2HG2      VAL  50  44.451  -0.436  -0.928
  364   3HG2  VAL  50          3HG2      VAL  50  44.528   0.953   0.155
  365    H    ASP  51           H        ASP  51  42.337  -1.458  -2.555
  366    HA   ASP  51           HA       ASP  51  44.133  -3.799  -2.521
  367   1HB   ASP  51          1HB       ASP  51  41.996  -3.106  -4.542
  368   2HB   ASP  51          2HB       ASP  51  43.254  -4.300  -4.836
  369    H    TYR  52           H        TYR  52  45.420  -3.914  -4.610
  370    HA   TYR  52           HA       TYR  52  46.237  -1.218  -5.454
  371   1HB   TYR  52          1HB       TYR  52  48.049  -3.598  -4.983
  372   2HB   TYR  52          2HB       TYR  52  48.556  -2.011  -5.555
  373    HD1  TYR  52           HD1      TYR  52  48.562  -0.081  -4.029
  374    HD2  TYR  52           HD2      TYR  52  47.543  -3.980  -2.657
  375    HE1  TYR  52           HE1      TYR  52  48.853   0.663  -1.703
  376    HE2  TYR  52           HE2      TYR  52  47.835  -3.244  -0.332
  377    HH   TYR  52           HH       TYR  52  48.146   0.042   0.531
  378    H    PHE  53           H        PHE  53  45.819  -0.951  -7.534
  379    HA   PHE  53           HA       PHE  53  45.418  -3.356  -9.164
  380   1HB   PHE  53          1HB       PHE  53  43.478  -1.878  -8.774
  381   2HB   PHE  53          2HB       PHE  53  44.346  -0.558  -9.544
  382    HD1  PHE  53           HD1      PHE  53  43.792  -0.095 -11.696
  383    HD2  PHE  53           HD2      PHE  53  43.406  -4.093 -10.298
  384    HE1  PHE  53           HE1      PHE  53  42.866  -0.759 -13.871
  385    HE2  PHE  53           HE2      PHE  53  42.482  -4.770 -12.477
  386    HZ   PHE  53           HZ       PHE  53  42.208  -3.102 -14.269
  387    H    CYS  54           H        CYS  54  46.969  -3.834 -10.546
  388    HA   CYS  54           HA       CYS  54  48.584  -1.713 -11.753
  389   1HB   CYS  54          1HB       CYS  54  49.844  -3.620 -10.937
  390   2HB   CYS  54          2HB       CYS  54  48.825  -4.731 -11.842
  391    H    GLN  55           H        GLN  55  47.183  -0.775 -13.218
  392    HA   GLN  55           HA       GLN  55  45.713  -2.407 -15.085
  393   1HB   GLN  55          1HB       GLN  55  44.877  -0.200 -14.306
  394   2HB   GLN  55          2HB       GLN  55  46.224   0.576 -15.126
  395   1HG   GLN  55          1HG       GLN  55  45.407  -0.139 -17.264
  396   2HG   GLN  55          2HG       GLN  55  44.135  -1.092 -16.502
  397   1HE2  GLN  55          1HE2      GLN  55  45.083   2.066 -15.362
  398   2HE2  GLN  55          2HE2      GLN  55  43.627   2.881 -15.821
  399    H    HIS  56           H        HIS  56  47.069  -3.590 -16.249
  400    HA   HIS  56           HA       HIS  56  48.477  -2.600 -18.456
  401   1HB   HIS  56          1HB       HIS  56  50.101  -3.037 -15.977
  402   2HB   HIS  56          2HB       HIS  56  50.778  -3.573 -17.509
  403    HD1  HIS  56           HD1      HIS  56  49.974  -1.256 -19.333
  404    HD2  HIS  56           HD2      HIS  56  51.487  -0.756 -15.487
  405    HE1  HIS  56           HE1      HIS  56  50.917   1.076 -19.270
  406    HE2  HIS  56           HE2      HIS  56  51.995   1.279 -17.002
  407    H    GLY  57           H        GLY  57  46.593  -4.635 -17.617
  408   1HA   GLY  57          1HA       GLY  57  46.127  -6.800 -18.275
  409   2HA   GLY  57          2HA       GLY  57  47.752  -6.911 -18.938
  410    H    HIS  58           H        HIS  58  47.545  -5.897 -15.670
  411    HA   HIS  58           HA       HIS  58  48.360  -8.591 -14.811
  412   1HB   HIS  58          1HB       HIS  58  49.088  -5.885 -13.675
  413   2HB   HIS  58          2HB       HIS  58  49.424  -7.401 -12.843
  414    HD2  HIS  58           HD2      HIS  58  50.282  -8.743 -15.958
  415    HE1  HIS  58           HE1      HIS  58  53.603  -6.191 -15.345
  416    HE2  HIS  58           HE2      HIS  58  52.683  -8.118 -16.672
  417    H    GLY  59           H        GLY  59  46.748  -5.684 -13.482
  418   1HA   GLY  59          1HA       GLY  59  44.484  -5.746 -12.745
  419   2HA   GLY  59          2HA       GLY  59  44.642  -7.478 -12.500
  420    H    LEU  60           H        LEU  60  44.053  -7.636 -10.422
  421    HA   LEU  60           HA       LEU  60  44.871  -5.753  -8.430
  422   1HB   LEU  60          1HB       LEU  60  43.561  -8.459  -8.173
  423   2HB   LEU  60          2HB       LEU  60  43.789  -7.332  -6.851
  424    HG   LEU  60           HG       LEU  60  42.101  -6.827  -9.304
  425   1HD1  LEU  60          1HD1      LEU  60  40.212  -6.994  -7.767
  426   2HD1  LEU  60          2HD1      LEU  60  41.311  -7.403  -6.451
  427   3HD1  LEU  60          3HD1      LEU  60  41.128  -8.502  -7.817
  428   1HD2  LEU  60          1HD2      LEU  60  43.108  -4.784  -8.402
  429   2HD2  LEU  60          2HD2      LEU  60  42.479  -5.181  -6.804
  430   3HD2  LEU  60          3HD2      LEU  60  41.366  -4.823  -8.124
  431    H    ILE  61           H        ILE  61  46.764  -5.672  -7.488
  432    HA   ILE  61           HA       ILE  61  48.494  -8.029  -7.450
  433    HB   ILE  61           HB       ILE  61  49.071  -5.175  -6.611
  434   1HG1  ILE  61          1HG1      ILE  61  48.627  -5.356  -9.014
  435   2HG1  ILE  61          2HG1      ILE  61  50.328  -5.015  -8.716
  436   1HG2  ILE  61          1HG2      ILE  61  50.947  -7.504  -7.006
  437   2HG2  ILE  61          2HG2      ILE  61  50.513  -6.763  -5.465
  438   3HG2  ILE  61          3HG2      ILE  61  51.429  -5.843  -6.658
  439   1HD1  ILE  61          1HD1      ILE  61  50.058  -6.647 -10.490
  440   2HD1  ILE  61          2HD1      ILE  61  49.151  -7.702  -9.404
  441   3HD1  ILE  61          3HD1      ILE  61  50.858  -7.372  -9.097
  442    H    SER  62           H        SER  62  49.006  -9.110  -5.610
  443    HA   SER  62           HA       SER  62  47.390  -8.897  -3.326
  444   1HB   SER  62          1HB       SER  62  48.526 -10.985  -3.970
  445   2HB   SER  62          2HB       SER  62  50.088 -10.242  -3.629
  446    HG   SER  62           HG       SER  62  48.066 -10.390  -1.652
  447    H    LYS  63           H        LYS  63  47.723  -8.004  -1.327
  448    HA   LYS  63           HA       LYS  63  49.184  -5.591  -1.231
  449   1HB   LYS  63          1HB       LYS  63  47.115  -6.001   0.036
  450   2HB   LYS  63          2HB       LYS  63  47.949  -7.197   1.015
  451   1HG   LYS  63          1HG       LYS  63  49.377  -5.495   1.954
  452   2HG   LYS  63          2HG       LYS  63  48.659  -4.275   0.899
  453   1HD   LYS  63          1HD       LYS  63  46.494  -4.611   1.975
  454   2HD   LYS  63          2HD       LYS  63  47.194  -5.855   3.012
  455   1HE   LYS  63          1HE       LYS  63  48.087  -2.978   2.931
  456   2HE   LYS  63          2HE       LYS  63  46.969  -3.647   4.119
  457   1HZ   LYS  63          1HZ       LYS  63  49.791  -4.496   3.713
  458   2HZ   LYS  63          2HZ       LYS  63  48.715  -5.167   4.839
  459   3HZ   LYS  63          3HZ       LYS  63  49.204  -3.553   4.995
  460    H    LYS  64           H        LYS  64  50.071  -8.826  -0.562
  461    HA   LYS  64           HA       LYS  64  52.344  -8.109   1.110
  462   1HB   LYS  64          1HB       LYS  64  51.482 -10.782  -0.004
  463   2HB   LYS  64          2HB       LYS  64  52.781 -10.532   1.152
  464   1HG   LYS  64          1HG       LYS  64  51.190  -9.730   2.798
  465   2HG   LYS  64          2HG       LYS  64  49.875  -9.915   1.635
  466   1HD   LYS  64          1HD       LYS  64  49.941 -11.805   3.170
  467   2HD   LYS  64          2HD       LYS  64  50.315 -12.323   1.526
  468   1HE   LYS  64          1HE       LYS  64  51.816 -13.388   3.116
  469   2HE   LYS  64          2HE       LYS  64  52.708 -12.289   2.066
  470   1HZ   LYS  64          1HZ       LYS  64  51.767 -11.580   4.790
  471   2HZ   LYS  64          2HZ       LYS  64  52.812 -10.678   3.799
  472   3HZ   LYS  64          3HZ       LYS  64  53.325 -12.159   4.447
  473    H    ARG  65           H        ARG  65  51.644  -8.216  -2.145
  474    HA   ARG  65           HA       ARG  65  54.375  -9.042  -2.878
  475   1HB   ARG  65          1HB       ARG  65  52.387 -10.462  -3.622
  476   2HB   ARG  65          2HB       ARG  65  51.950  -9.123  -4.671
  477   1HG   ARG  65          1HG       ARG  65  53.975  -9.345  -5.916
  478   2HG   ARG  65          2HG       ARG  65  54.601 -10.536  -4.771
  479   1HD   ARG  65          1HD       ARG  65  52.742 -12.041  -5.363
  480   2HD   ARG  65          2HD       ARG  65  52.193 -10.864  -6.558
  481    HE   ARG  65           HE       ARG  65  54.586 -11.216  -7.487
  482   1HH1  ARG  65          1HH1      ARG  65  52.572 -13.694  -6.027
  483   2HH1  ARG  65          2HH1      ARG  65  53.284 -14.982  -6.957
  484   1HH2  ARG  65          1HH2      ARG  65  55.495 -12.881  -8.699
  485   2HH2  ARG  65          2HH2      ARG  65  54.916 -14.511  -8.511
  486    H    VAL  66           H        VAL  66  52.998  -6.354  -2.222
  487    HA   VAL  66           HA       VAL  66  53.295  -4.864  -4.679
  488    HB   VAL  66           HB       VAL  66  52.901  -3.869  -1.844
  489   1HG1  VAL  66          1HG1      VAL  66  52.173  -1.778  -2.900
  490   2HG1  VAL  66          2HG1      VAL  66  52.601  -2.435  -4.479
  491   3HG1  VAL  66          3HG1      VAL  66  53.855  -2.150  -3.274
  492   1HG2  VAL  66          1HG2      VAL  66  50.903  -4.322  -4.058
  493   2HG2  VAL  66          2HG2      VAL  66  50.557  -3.562  -2.503
  494   3HG2  VAL  66          3HG2      VAL  66  51.046  -5.255  -2.569
  495    H    GLU  67           H        GLU  67  54.979  -3.488  -5.215
  496    HA   GLU  67           HA       GLU  67  57.494  -3.936  -3.855
  497   1HB   GLU  67          1HB       GLU  67  57.322  -3.794  -6.350
  498   2HB   GLU  67          2HB       GLU  67  56.883  -2.100  -6.184
  499   1HG   GLU  67          1HG       GLU  67  59.211  -2.299  -6.760
  500   2HG   GLU  67          2HG       GLU  67  59.048  -1.652  -5.127
  501    H    PHE  68           H        PHE  68  57.647  -2.914  -1.957
  502    HA   PHE  68           HA       PHE  68  56.493  -0.254  -1.658
  503   1HB   PHE  68          1HB       PHE  68  57.604  -2.194   0.378
  504   2HB   PHE  68          2HB       PHE  68  56.988  -0.594   0.773
  505    HD1  PHE  68           HD1      PHE  68  56.184  -4.013   0.334
  506    HD2  PHE  68           HD2      PHE  68  54.551  -0.090   0.120
  507    HE1  PHE  68           HE1      PHE  68  53.921  -4.949   0.556
  508    HE2  PHE  68           HE2      PHE  68  52.283  -1.018   0.341
  509    HZ   PHE  68           HZ       PHE  68  51.965  -3.451   0.561
  510    H    VAL  69           H        VAL  69  57.840   1.241  -2.452
  511    HA   VAL  69           HA       VAL  69  60.624   1.191  -1.481
  512    HB   VAL  69           HB       VAL  69  61.174   2.762  -3.280
  513   1HG1  VAL  69          1HG1      VAL  69  61.417   0.374  -3.687
  514   2HG1  VAL  69          2HG1      VAL  69  60.955   1.217  -5.164
  515   3HG1  VAL  69          3HG1      VAL  69  59.752   0.293  -4.267
  516   1HG2  VAL  69          1HG2      VAL  69  59.551   3.245  -5.055
  517   2HG2  VAL  69          2HG2      VAL  69  59.028   3.885  -3.495
  518   3HG2  VAL  69          3HG2      VAL  69  58.303   2.408  -4.132
  519    H    LEU  70           H        LEU  70  61.554   3.248  -0.836
  520    HA   LEU  70           HA       LEU  70  59.807   4.699   0.885
  521   1HB   LEU  70          1HB       LEU  70  62.680   5.191   0.088
  522   2HB   LEU  70          2HB       LEU  70  61.822   6.157   1.268
  523    HG   LEU  70           HG       LEU  70  63.147   4.659   2.505
  524   1HD1  LEU  70          1HD1      LEU  70  60.364   3.509   2.396
  525   2HD1  LEU  70          2HD1      LEU  70  60.896   4.877   3.374
  526   3HD1  LEU  70          3HD1      LEU  70  61.535   3.264   3.695
  527   1HD2  LEU  70          1HD2      LEU  70  63.170   2.240   2.167
  528   2HD2  LEU  70          2HD2      LEU  70  63.708   3.098   0.722
  529   3HD2  LEU  70          3HD2      LEU  70  62.081   2.419   0.793
  530    H    ALA  71           H        ALA  71  59.210   6.893   0.755
  531    HA   ALA  71           HA       ALA  71  58.683   7.839  -1.888
  532   1HB   ALA  71          1HB       ALA  71  57.645   9.753  -0.780
  533   2HB   ALA  71          2HB       ALA  71  58.318   9.230   0.764
  534   3HB   ALA  71          3HB       ALA  71  57.115   8.236  -0.056
  Start of MODEL   16
    1    H    MET   1           H        MET   1  59.026  -8.424   5.152
    2    HA   MET   1           HA       MET   1  61.269  -8.114   5.943
    3   1HB   MET   1          1HB       MET   1  60.373  -6.101   3.869
    4   2HB   MET   1          2HB       MET   1  62.057  -6.482   4.192
    5   1HG   MET   1          1HG       MET   1  61.451  -7.728   2.295
    6   2HG   MET   1          2HG       MET   1  61.509  -8.872   3.633
    7   1HE   MET   1          1HE       MET   1  58.734  -6.234   2.663
    8   2HE   MET   1          2HE       MET   1  57.628  -7.250   1.738
    9   3HE   MET   1          3HE       MET   1  59.244  -6.912   1.116
   10    H    GLU   2           H        GLU   2  62.548  -7.117   7.351
   11    HA   GLU   2           HA       GLU   2  61.463  -4.833   8.754
   12   1HB   GLU   2          1HB       GLU   2  64.027  -6.335   9.305
   13   2HB   GLU   2          2HB       GLU   2  63.232  -5.194  10.378
   14   1HG   GLU   2          1HG       GLU   2  62.592  -7.181  11.296
   15   2HG   GLU   2          2HG       GLU   2  61.238  -6.871  10.210
   16    H    LEU   3           H        LEU   3  61.769  -2.940   7.798
   17    HA   LEU   3           HA       LEU   3  64.389  -2.267   6.702
   18   1HB   LEU   3          1HB       LEU   3  61.822  -0.678   6.806
   19   2HB   LEU   3          2HB       LEU   3  63.302  -0.146   6.033
   20    HG   LEU   3           HG       LEU   3  61.654  -2.537   5.205
   21   1HD1  LEU   3          1HD1      LEU   3  62.007   0.165   3.912
   22   2HD1  LEU   3          2HD1      LEU   3  60.549  -0.425   4.710
   23   3HD1  LEU   3          3HD1      LEU   3  61.119  -1.198   3.232
   24   1HD2  LEU   3          1HD2      LEU   3  63.140  -2.612   3.262
   25   2HD2  LEU   3          2HD2      LEU   3  64.027  -2.867   4.764
   26   3HD2  LEU   3          3HD2      LEU   3  64.104  -1.305   3.948
   27    H    HIS   4           H        HIS   4  65.679  -0.605   7.564
   28    HA   HIS   4           HA       HIS   4  65.062  -0.079  10.401
   29   1HB   HIS   4          1HB       HIS   4  67.744  -0.347   9.029
   30   2HB   HIS   4          2HB       HIS   4  67.525   0.085  10.721
   31    HD1  HIS   4           HD1      HIS   4  68.371  -2.724   8.790
   32    HD2  HIS   4           HD2      HIS   4  65.778  -2.115  11.986
   33    HE1  HIS   4           HE1      HIS   4  67.999  -4.992   9.810
   34    HE2  HIS   4           HE2      HIS   4  66.635  -4.546  11.884
   35    H    CYS   5           H        CYS   5  65.812   1.924  11.319
   36    HA   CYS   5           HA       CYS   5  65.309   4.191   9.647
   37   1HB   CYS   5          1HB       CYS   5  64.748   3.995  12.135
   38   2HB   CYS   5          2HB       CYS   5  66.459   4.219  12.446
   39    HA   PRO   6           HA       PRO   6  69.526   4.642   8.255
   40   1HB   PRO   6          1HB       PRO   6  69.258   7.219   7.338
   41   2HB   PRO   6          2HB       PRO   6  68.783   5.784   6.424
   42   1HG   PRO   6          1HG       PRO   6  67.096   7.646   8.044
   43   2HG   PRO   6          2HG       PRO   6  66.745   6.886   6.480
   44   1HD   PRO   6          1HD       PRO   6  65.695   5.964   8.784
   45   2HD   PRO   6          2HD       PRO   6  66.138   4.877   7.451
   46    H    GLN   7           H        GLN   7  67.912   6.613  10.576
   47    HA   GLN   7           HA       GLN   7  70.446   7.824  11.426
   48   1HB   GLN   7          1HB       GLN   7  67.597   8.547  12.108
   49   2HB   GLN   7          2HB       GLN   7  69.010   9.331  12.796
   50   1HG   GLN   7          1HG       GLN   7  69.638  10.218  10.675
   51   2HG   GLN   7          2HG       GLN   7  68.399   9.269   9.853
   52   1HE2  GLN   7          1HE2      GLN   7  66.271   9.936   9.924
   53   2HE2  GLN   7          2HE2      GLN   7  65.799  11.492  10.511
   54    H    CYS   8           H        CYS   8  67.562   7.093  13.347
   55    HA   CYS   8           HA       CYS   8  69.267   5.810  15.315
   56   1HB   CYS   8          1HB       CYS   8  67.327   5.933  16.835
   57   2HB   CYS   8          2HB       CYS   8  67.757   7.512  16.194
   58    H    GLN   9           H        GLN   9  69.519   4.182  13.659
   59    HA   GLN   9           HA       GLN   9  68.022   2.266  12.679
   60   1HB   GLN   9          1HB       GLN   9  70.482   1.839  14.370
   61   2HB   GLN   9          2HB       GLN   9  69.758   0.582  13.374
   62   1HG   GLN   9          1HG       GLN   9  70.109   1.947  11.381
   63   2HG   GLN   9          2HG       GLN   9  70.829   3.213  12.375
   64   1HE2  GLN   9          1HE2      GLN   9  72.761   3.083  11.209
   65   2HE2  GLN   9          2HE2      GLN   9  73.862   1.767  11.414
   66    H    HIS  10           H        HIS  10  66.302   1.307  13.285
   67    HA   HIS  10           HA       HIS  10  66.052  -0.119  15.784
   68   1HB   HIS  10          1HB       HIS  10  64.732   2.467  15.278
   69   2HB   HIS  10          2HB       HIS  10  63.620   1.184  15.728
   70    HD1  HIS  10           HD1      HIS  10  66.864   2.679  17.086
   71    HD2  HIS  10           HD2      HIS  10  63.298   0.986  18.380
   72    HE1  HIS  10           HE1      HIS  10  66.869   2.924  19.585
   73    HE2  HIS  10           HE2      HIS  10  64.617   2.070  20.317
   74    H    VAL  11           H        VAL  11  63.509   1.194  13.784
   75    HA   VAL  11           HA       VAL  11  63.364  -0.785  11.815
   76    HB   VAL  11           HB       VAL  11  62.704  -2.240  13.723
   77   1HG1  VAL  11          1HG1      VAL  11  61.654  -0.588  15.150
   78   2HG1  VAL  11          2HG1      VAL  11  60.535  -1.910  14.813
   79   3HG1  VAL  11          3HG1      VAL  11  60.357  -0.368  13.975
   80   1HG2  VAL  11          1HG2      VAL  11  61.885  -2.757  11.498
   81   2HG2  VAL  11          2HG2      VAL  11  60.502  -1.689  11.738
   82   3HG2  VAL  11          3HG2      VAL  11  60.665  -3.153  12.708
   83    H    LEU  12           H        LEU  12  61.847  -0.194  10.266
   84    HA   LEU  12           HA       LEU  12  60.545   2.360  10.691
   85   1HB   LEU  12          1HB       LEU  12  60.771   0.583   8.265
   86   2HB   LEU  12          2HB       LEU  12  59.871   2.087   8.279
   87    HG   LEU  12           HG       LEU  12  62.842   1.797   8.741
   88   1HD1  LEU  12          1HD1      LEU  12  63.043   2.997   6.621
   89   2HD1  LEU  12          2HD1      LEU  12  61.289   2.973   6.438
   90   3HD1  LEU  12          3HD1      LEU  12  62.200   1.463   6.415
   91   1HD2  LEU  12          1HD2      LEU  12  62.874   4.243   8.742
   92   2HD2  LEU  12          2HD2      LEU  12  61.899   3.611  10.069
   93   3HD2  LEU  12          3HD2      LEU  12  61.113   4.267   8.634
   94    H    ASP  13           H        ASP  13  58.873   2.067  12.038
   95    HA   ASP  13           HA       ASP  13  57.015  -0.068  11.932
   96   1HB   ASP  13          1HB       ASP  13  57.472   1.453  13.909
   97   2HB   ASP  13          2HB       ASP  13  56.555   2.700  13.073
   98    H    GLN  14           H        GLN  14  55.836  -0.400  10.130
   99    HA   GLN  14           HA       GLN  14  54.790   1.958   8.728
  100   1HB   GLN  14          1HB       GLN  14  54.704   0.382   6.729
  101   2HB   GLN  14          2HB       GLN  14  56.294   0.896   7.272
  102   1HG   GLN  14          1HG       GLN  14  56.397  -1.270   8.577
  103   2HG   GLN  14          2HG       GLN  14  54.970  -1.766   7.668
  104   1HE2  GLN  14          1HE2      GLN  14  58.348  -0.970   7.494
  105   2HE2  GLN  14          2HE2      GLN  14  58.634  -1.664   5.937
  106    H    ASP  15           H        ASP  15  52.695   2.135   8.291
  107    HA   ASP  15           HA       ASP  15  50.882  -0.111   8.661
  108   1HB   ASP  15          1HB       ASP  15  51.056   0.831  10.924
  109   2HB   ASP  15          2HB       ASP  15  50.676   2.433  10.301
  110    H    ASN  16           H        ASN  16  48.938   0.164   7.573
  111    HA   ASN  16           HA       ASN  16  47.363   1.032   6.188
  112   1HB   ASN  16          1HB       ASN  16  47.317   3.025   7.587
  113   2HB   ASN  16          2HB       ASN  16  48.709   3.685   6.736
  114   1HD2  ASN  16          1HD2      ASN  16  45.321   2.969   6.571
  115   2HD2  ASN  16          2HD2      ASN  16  44.976   3.934   5.177
  116    H    GLY  17           H        GLY  17  50.620   2.283   5.570
  117   1HA   GLY  17          1HA       GLY  17  51.130   1.101   3.193
  118   2HA   GLY  17          2HA       GLY  17  50.143   2.478   2.727
  119    H    HIS  18           H        HIS  18  51.747   3.400   5.447
  120    HA   HIS  18           HA       HIS  18  54.192   4.181   4.045
  121   1HB   HIS  18          1HB       HIS  18  54.013   6.487   5.006
  122   2HB   HIS  18          2HB       HIS  18  52.815   6.127   3.773
  123    HD1  HIS  18           HD1      HIS  18  50.397   6.342   4.403
  124    HD2  HIS  18           HD2      HIS  18  52.954   6.630   7.673
  125    HE1  HIS  18           HE1      HIS  18  48.959   7.080   6.330
  126    HE2  HIS  18           HE2      HIS  18  50.581   7.522   8.202
  127    H    ALA  19           H        ALA  19  55.869   5.003   5.549
  128    HA   ALA  19           HA       ALA  19  55.783   3.339   7.962
  129   1HB   ALA  19          1HB       ALA  19  57.586   2.864   6.377
  130   2HB   ALA  19          2HB       ALA  19  58.216   3.438   7.921
  131   3HB   ALA  19          3HB       ALA  19  58.160   4.525   6.534
  132    H    ARG  20           H        ARG  20  56.876   4.128   9.872
  133    HA   ARG  20           HA       ARG  20  57.230   7.007  10.123
  134   1HB   ARG  20          1HB       ARG  20  55.806   7.145  12.112
  135   2HB   ARG  20          2HB       ARG  20  54.859   6.612  10.729
  136   1HG   ARG  20          1HG       ARG  20  55.054   4.293  11.508
  137   2HG   ARG  20          2HG       ARG  20  55.956   4.855  12.913
  138   1HD   ARG  20          1HD       ARG  20  54.015   6.157  13.632
  139   2HD   ARG  20          2HD       ARG  20  53.114   5.592  12.223
  140    HE   ARG  20           HE       ARG  20  53.962   3.299  13.456
  141   1HH1  ARG  20          1HH1      ARG  20  52.017   6.065  14.405
  142   2HH1  ARG  20          2HH1      ARG  20  51.118   5.176  15.592
  143   1HH2  ARG  20          1HH2      ARG  20  52.800   2.147  15.005
  144   2HH2  ARG  20          2HH2      ARG  20  51.553   2.931  15.929
  145    H    CYS  21           H        CYS  21  58.792   7.508  11.661
  146    HA   CYS  21           HA       CYS  21  59.792   5.224  13.223
  147   1HB   CYS  21          1HB       CYS  21  61.454   6.313  11.687
  148   2HB   CYS  21          2HB       CYS  21  61.285   7.788  12.635
  149    H    ARG  22           H        ARG  22  58.953   5.210  15.145
  150    HA   ARG  22           HA       ARG  22  57.486   7.306  16.261
  151   1HB   ARG  22          1HB       ARG  22  58.644   4.857  17.597
  152   2HB   ARG  22          2HB       ARG  22  57.386   5.883  18.273
  153   1HG   ARG  22          1HG       ARG  22  55.858   5.273  16.540
  154   2HG   ARG  22          2HG       ARG  22  57.121   4.411  15.661
  155   1HD   ARG  22          1HD       ARG  22  55.663   2.866  16.856
  156   2HD   ARG  22          2HD       ARG  22  57.307   2.809  17.488
  157    HE   ARG  22           HE       ARG  22  55.193   4.372  18.819
  158   1HH1  ARG  22          1HH1      ARG  22  57.682   1.917  18.875
  159   2HH1  ARG  22          2HH1      ARG  22  57.648   1.725  20.598
  160   1HH2  ARG  22          1HH2      ARG  22  55.106   4.100  21.086
  161   2HH2  ARG  22          2HH2      ARG  22  56.159   2.956  21.864
  162    H    SER  23           H        SER  23  60.855   6.471  16.602
  163    HA   SER  23           HA       SER  23  61.239   8.175  18.895
  164   1HB   SER  23          1HB       SER  23  62.568   6.086  18.526
  165   2HB   SER  23          2HB       SER  23  63.331   6.862  17.140
  166    HG   SER  23           HG       SER  23  63.381   7.946  19.758
  167    H    CYS  24           H        CYS  24  61.029   8.638  15.554
  168    HA   CYS  24           HA       CYS  24  62.678  11.054  15.569
  169   1HB   CYS  24          1HB       CYS  24  61.202   9.616  13.361
  170   2HB   CYS  24          2HB       CYS  24  61.946  11.193  13.136
  171    H    GLY  25           H        GLY  25  59.422  10.203  14.433
  172   1HA   GLY  25          1HA       GLY  25  57.504  11.607  15.063
  173   2HA   GLY  25          2HA       GLY  25  58.606  12.981  15.013
  174    H    GLU  26           H        GLU  26  59.938  11.682  12.653
  175    HA   GLU  26           HA       GLU  26  58.379  12.862  10.578
  176   1HB   GLU  26          1HB       GLU  26  60.846  11.119  10.428
  177   2HB   GLU  26          2HB       GLU  26  60.122  11.942   9.057
  178   1HG   GLU  26          1HG       GLU  26  61.853  13.343   9.625
  179   2HG   GLU  26          2HG       GLU  26  60.485  14.085  10.450
  180    H    PHE  27           H        PHE  27  57.074  11.953   9.134
  181    HA   PHE  27           HA       PHE  27  56.754   9.035   9.201
  182   1HB   PHE  27          1HB       PHE  27  54.524   9.682   7.969
  183   2HB   PHE  27          2HB       PHE  27  54.634   9.800   9.720
  184    HD1  PHE  27           HD1      PHE  27  54.439  11.871  10.830
  185    HD2  PHE  27           HD2      PHE  27  54.662  11.741   6.583
  186    HE1  PHE  27           HE1      PHE  27  53.771  14.236  10.730
  187    HE2  PHE  27           HE2      PHE  27  53.996  14.107   6.473
  188    HZ   PHE  27           HZ       PHE  27  53.550  15.357   8.549
  189    H    ILE  28           H        ILE  28  56.872   7.888   7.294
  190    HA   ILE  28           HA       ILE  28  58.072   9.417   5.076
  191    HB   ILE  28           HB       ILE  28  58.685   6.587   5.949
  192   1HG1  ILE  28          1HG1      ILE  28  60.387   9.088   6.094
  193   2HG1  ILE  28          2HG1      ILE  28  59.580   8.332   7.463
  194   1HG2  ILE  28          1HG2      ILE  28  60.460   6.655   4.268
  195   2HG2  ILE  28          2HG2      ILE  28  59.917   8.254   3.759
  196   3HG2  ILE  28          3HG2      ILE  28  58.868   6.854   3.535
  197   1HD1  ILE  28          1HD1      ILE  28  61.937   7.760   7.406
  198   2HD1  ILE  28          2HD1      ILE  28  61.749   7.088   5.786
  199   3HD1  ILE  28          3HD1      ILE  28  60.940   6.327   7.157
  200    H    GLU  29           H        GLU  29  56.896   9.410   3.271
  201    HA   GLU  29           HA       GLU  29  54.765   7.577   2.819
  202   1HB   GLU  29          1HB       GLU  29  56.140   9.522   0.965
  203   2HB   GLU  29          2HB       GLU  29  54.768   8.535   0.489
  204   1HG   GLU  29          1HG       GLU  29  53.529   9.609   2.430
  205   2HG   GLU  29          2HG       GLU  29  54.859  10.769   2.481
  206    H    MET  30           H        MET  30  54.913   5.576   2.129
  207    HA   MET  30           HA       MET  30  57.237   4.819   0.491
  208   1HB   MET  30          1HB       MET  30  55.444   3.062   2.188
  209   2HB   MET  30          2HB       MET  30  56.768   2.488   1.183
  210   1HG   MET  30          1HG       MET  30  58.323   3.866   2.538
  211   2HG   MET  30          2HG       MET  30  56.973   4.274   3.595
  212   1HE   MET  30          1HE       MET  30  57.754   0.836   1.821
  213   2HE   MET  30          2HE       MET  30  58.696   0.029   3.076
  214   3HE   MET  30          3HE       MET  30  59.336   1.467   2.279
  215    H    LYS  31           H        LYS  31  56.873   4.129  -1.542
  216    HA   LYS  31           HA       LYS  31  54.086   4.293  -2.416
  217   1HB   LYS  31          1HB       LYS  31  56.675   4.543  -3.942
  218   2HB   LYS  31          2HB       LYS  31  55.095   4.500  -4.715
  219   1HG   LYS  31          1HG       LYS  31  54.455   6.497  -3.371
  220   2HG   LYS  31          2HG       LYS  31  56.120   6.574  -2.788
  221   1HD   LYS  31          1HD       LYS  31  56.940   6.914  -5.023
  222   2HD   LYS  31          2HD       LYS  31  55.330   6.661  -5.697
  223   1HE   LYS  31          1HE       LYS  31  55.772   9.015  -5.660
  224   2HE   LYS  31          2HE       LYS  31  54.554   8.660  -4.436
  225   1HZ   LYS  31          1HZ       LYS  31  56.377   8.659  -2.780
  226   2HZ   LYS  31          2HZ       LYS  31  56.141  10.161  -3.515
  227   3HZ   LYS  31          3HZ       LYS  31  57.444   9.182  -3.987
  228    H    ALA  32           H        ALA  32  53.023   2.516  -2.737
  229    HA   ALA  32           HA       ALA  32  54.316  -0.030  -3.016
  230   1HB   ALA  32          1HB       ALA  32  52.048  -0.932  -3.125
  231   2HB   ALA  32          2HB       ALA  32  51.396   0.702  -3.244
  232   3HB   ALA  32          3HB       ALA  32  52.220   0.188  -1.772
  233    H    LEU  33           H        LEU  33  55.364  -0.311  -4.888
  234    HA   LEU  33           HA       LEU  33  54.020   0.411  -7.394
  235   1HB   LEU  33          1HB       LEU  33  56.836  -0.602  -7.021
  236   2HB   LEU  33          2HB       LEU  33  56.154   0.101  -8.471
  237    HG   LEU  33           HG       LEU  33  56.834   1.523  -5.901
  238   1HD1  LEU  33          1HD1      LEU  33  57.890   1.761  -8.713
  239   2HD1  LEU  33          2HD1      LEU  33  58.731   1.055  -7.333
  240   3HD1  LEU  33          3HD1      LEU  33  58.361   2.778  -7.352
  241   1HD2  LEU  33          1HD2      LEU  33  54.754   2.436  -6.778
  242   2HD2  LEU  33          2HD2      LEU  33  55.494   2.627  -8.367
  243   3HD2  LEU  33          3HD2      LEU  33  56.082   3.575  -7.000
  244    H    CYS  34           H        CYS  34  54.109  -1.153  -9.156
  245    HA   CYS  34           HA       CYS  34  53.728  -3.896  -8.227
  246   1HB   CYS  34          1HB       CYS  34  52.117  -2.857  -9.824
  247   2HB   CYS  34          2HB       CYS  34  53.417  -2.703 -10.998
  248    HA   PRO  35           HA       PRO  35  58.103  -4.533  -8.857
  249   1HB   PRO  35          1HB       PRO  35  57.268  -7.383  -9.019
  250   2HB   PRO  35          2HB       PRO  35  58.500  -6.624  -8.003
  251   1HG   PRO  35          1HG       PRO  35  56.154  -7.373  -6.979
  252   2HG   PRO  35          2HG       PRO  35  56.949  -5.878  -6.451
  253   1HD   PRO  35          1HD       PRO  35  54.609  -6.246  -8.267
  254   2HD   PRO  35          2HD       PRO  35  54.930  -4.962  -7.084
  255    H    ASP  36           H        ASP  36  55.730  -6.220 -10.849
  256    HA   ASP  36           HA       ASP  36  57.651  -6.816 -12.920
  257   1HB   ASP  36          1HB       ASP  36  55.599  -7.697 -14.119
  258   2HB   ASP  36          2HB       ASP  36  55.970  -8.463 -12.577
  259    H    CYS  37           H        CYS  37  56.223  -4.018 -12.100
  260    HA   CYS  37           HA       CYS  37  56.188  -3.077 -14.896
  261   1HB   CYS  37          1HB       CYS  37  54.408  -2.057 -12.676
  262   2HB   CYS  37          2HB       CYS  37  54.397  -1.519 -14.350
  263    H    HIS  38           H        HIS  38  56.885  -2.441 -11.547
  264    HA   HIS  38           HA       HIS  38  58.163  -0.980 -10.427
  265   1HB   HIS  38          1HB       HIS  38  59.815  -1.551 -12.299
  266   2HB   HIS  38          2HB       HIS  38  59.345  -0.021 -13.030
  267    HD1  HIS  38           HD1      HIS  38  60.227  -0.933  -9.422
  268    HD2  HIS  38           HD2      HIS  38  61.297   1.750 -12.430
  269    HE1  HIS  38           HE1      HIS  38  61.973   0.570  -8.413
  270    HE2  HIS  38           HE2      HIS  38  62.449   2.305 -10.176
  271    H    GLN  39           H        GLN  39  55.625  -0.277 -12.062
  272    HA   GLN  39           HA       GLN  39  55.751   2.620 -11.606
  273   1HB   GLN  39          1HB       GLN  39  53.880   0.963 -13.312
  274   2HB   GLN  39          2HB       GLN  39  53.709   2.696 -13.050
  275   1HG   GLN  39          1HG       GLN  39  55.800   3.131 -14.123
  276   2HG   GLN  39          2HG       GLN  39  56.154   1.409 -14.232
  277   1HE2  GLN  39          1HE2      GLN  39  56.405   1.499 -16.440
  278   2HE2  GLN  39          2HE2      GLN  39  55.062   1.692 -17.524
  279    HA   PRO  40           HA       PRO  40  53.277   2.410  -8.063
  280   1HB   PRO  40          1HB       PRO  40  51.432   4.405  -8.414
  281   2HB   PRO  40          2HB       PRO  40  53.124   4.684  -7.984
  282   1HG   PRO  40          1HG       PRO  40  51.800   4.829 -10.666
  283   2HG   PRO  40          2HG       PRO  40  52.992   5.929  -9.944
  284   1HD   PRO  40          1HD       PRO  40  53.701   4.086 -11.762
  285   2HD   PRO  40          2HD       PRO  40  54.766   4.507 -10.405
  286    H    LEU  41           H        LEU  41  51.436   1.611  -7.141
  287    HA   LEU  41           HA       LEU  41  49.543   0.327  -8.935
  288   1HB   LEU  41          1HB       LEU  41  49.972   0.164  -5.954
  289   2HB   LEU  41          2HB       LEU  41  48.687  -0.684  -6.791
  290    HG   LEU  41           HG       LEU  41  51.625  -1.082  -7.343
  291   1HD1  LEU  41          1HD1      LEU  41  49.709  -2.774  -5.745
  292   2HD1  LEU  41          2HD1      LEU  41  51.055  -1.837  -5.097
  293   3HD1  LEU  41          3HD1      LEU  41  51.367  -3.206  -6.164
  294   1HD2  LEU  41          1HD2      LEU  41  50.282  -1.598  -9.262
  295   2HD2  LEU  41          2HD2      LEU  41  49.146  -2.515  -8.276
  296   3HD2  LEU  41          3HD2      LEU  41  50.789  -3.111  -8.508
  297    H    GLN  42           H        GLN  42  47.268   0.471  -8.591
  298    HA   GLN  42           HA       GLN  42  46.402   3.159  -7.897
  299   1HB   GLN  42          1HB       GLN  42  45.599   2.125  -9.978
  300   2HB   GLN  42          2HB       GLN  42  44.891   0.808  -9.056
  301   1HG   GLN  42          1HG       GLN  42  43.364   2.386  -7.981
  302   2HG   GLN  42          2HG       GLN  42  44.071   3.700  -8.922
  303   1HE2  GLN  42          1HE2      GLN  42  41.329   2.697  -8.857
  304   2HE2  GLN  42          2HE2      GLN  42  40.944   2.243 -10.482
  305    H    VAL  43           H        VAL  43  45.342   3.671  -6.081
  306    HA   VAL  43           HA       VAL  43  45.137   1.681  -4.001
  307    HB   VAL  43           HB       VAL  43  44.303   4.589  -3.958
  308   1HG1  VAL  43          1HG1      VAL  43  43.207   3.293  -2.217
  309   2HG1  VAL  43          2HG1      VAL  43  44.425   4.362  -1.518
  310   3HG1  VAL  43          3HG1      VAL  43  44.763   2.641  -1.701
  311   1HG2  VAL  43          1HG2      VAL  43  46.868   3.284  -3.056
  312   2HG2  VAL  43          2HG2      VAL  43  46.430   4.970  -2.786
  313   3HG2  VAL  43          3HG2      VAL  43  46.673   4.374  -4.429
  314    H    LEU  44           H        LEU  44  43.429   0.408  -3.761
  315    HA   LEU  44           HA       LEU  44  40.896   1.206  -4.992
  316   1HB   LEU  44          1HB       LEU  44  41.768  -1.458  -3.877
  317   2HB   LEU  44          2HB       LEU  44  40.228  -1.142  -4.650
  318    HG   LEU  44           HG       LEU  44  42.939  -1.027  -5.972
  319   1HD1  LEU  44          1HD1      LEU  44  40.633  -2.945  -6.271
  320   2HD1  LEU  44          2HD1      LEU  44  42.181  -3.288  -5.501
  321   3HD1  LEU  44          3HD1      LEU  44  42.110  -2.957  -7.231
  322   1HD2  LEU  44          1HD2      LEU  44  41.459   0.654  -6.915
  323   2HD2  LEU  44          2HD2      LEU  44  40.187  -0.551  -7.114
  324   3HD2  LEU  44          3HD2      LEU  44  41.677  -0.678  -8.050
  325    H    LYS  45           H        LYS  45  39.689   2.401  -3.655
  326    HA   LYS  45           HA       LYS  45  39.261   1.407  -0.922
  327   1HB   LYS  45          1HB       LYS  45  39.771   3.809  -1.105
  328   2HB   LYS  45          2HB       LYS  45  38.409   4.020  -2.198
  329   1HG   LYS  45          1HG       LYS  45  36.906   3.259  -0.361
  330   2HG   LYS  45          2HG       LYS  45  38.308   3.267   0.713
  331   1HD   LYS  45          1HD       LYS  45  38.634   5.649   0.272
  332   2HD   LYS  45          2HD       LYS  45  37.240   5.644  -0.809
  333   1HE   LYS  45          1HE       LYS  45  37.189   5.004   2.137
  334   2HE   LYS  45          2HE       LYS  45  36.683   6.528   1.412
  335   1HZ   LYS  45          1HZ       LYS  45  35.427   3.865   1.003
  336   2HZ   LYS  45          2HZ       LYS  45  34.982   5.271   0.167
  337   3HZ   LYS  45          3HZ       LYS  45  34.769   5.182   1.844
  338    H    ALA  46           H        ALA  46  37.905  -0.325  -1.287
  339    HA   ALA  46           HA       ALA  46  35.536   0.189  -2.966
  340   1HB   ALA  46          1HB       ALA  46  36.858  -2.439  -2.296
  341   2HB   ALA  46          2HB       ALA  46  37.004  -1.566  -3.820
  342   3HB   ALA  46          3HB       ALA  46  35.445  -2.228  -3.330
  343    H    CYS  47           H        CYS  47  36.087  -2.394  -0.663
  344    HA   CYS  47           HA       CYS  47  33.667  -1.722   0.786
  345   1HB   CYS  47          1HB       CYS  47  35.689  -3.906   1.361
  346   2HB   CYS  47          2HB       CYS  47  34.028  -3.820   1.935
  347    HG   CYS  47           HG       CYS  47  33.858  -3.729  -1.309
  348    H    GLY  48           H        GLY  48  34.774  -2.708   3.358
  349   1HA   GLY  48          1HA       GLY  48  36.084  -0.297   4.276
  350   2HA   GLY  48          2HA       GLY  48  35.699  -1.713   5.246
  351    H    ALA  49           H        ALA  49  37.392  -2.123   2.266
  352    HA   ALA  49           HA       ALA  49  39.886  -2.619   3.738
  353   1HB   ALA  49          1HB       ALA  49  40.256  -4.633   2.406
  354   2HB   ALA  49          2HB       ALA  49  38.699  -4.402   1.609
  355   3HB   ALA  49          3HB       ALA  49  38.762  -4.758   3.335
  356    H    VAL  50           H        VAL  50  41.659  -1.824   2.792
  357    HA   VAL  50           HA       VAL  50  41.370  -0.488   0.211
  358    HB   VAL  50           HB       VAL  50  43.680  -0.414   2.171
  359   1HG1  VAL  50          1HG1      VAL  50  44.388   0.055  -0.108
  360   2HG1  VAL  50          2HG1      VAL  50  44.440   1.522   0.870
  361   3HG1  VAL  50          3HG1      VAL  50  43.118   1.268  -0.270
  362   1HG2  VAL  50          1HG2      VAL  50  41.686   0.593   3.128
  363   2HG2  VAL  50          2HG2      VAL  50  41.473   1.585   1.686
  364   3HG2  VAL  50          3HG2      VAL  50  42.871   1.838   2.730
  365    H    ASP  51           H        ASP  51  42.258  -1.275  -1.610
  366    HA   ASP  51           HA       ASP  51  44.153  -3.512  -1.342
  367   1HB   ASP  51          1HB       ASP  51  41.577  -3.890  -2.100
  368   2HB   ASP  51          2HB       ASP  51  42.330  -3.598  -3.666
  369    H    TYR  52           H        TYR  52  44.845  -3.997  -3.889
  370    HA   TYR  52           HA       TYR  52  45.765  -1.392  -4.910
  371   1HB   TYR  52          1HB       TYR  52  47.515  -3.821  -4.473
  372   2HB   TYR  52          2HB       TYR  52  48.020  -2.324  -5.247
  373    HD1  TYR  52           HD1      TYR  52  47.915  -0.177  -3.841
  374    HD2  TYR  52           HD2      TYR  52  47.714  -4.083  -2.168
  375    HE1  TYR  52           HE1      TYR  52  48.584   0.731  -1.656
  376    HE2  TYR  52           HE2      TYR  52  48.382  -3.188   0.022
  377    HH   TYR  52           HH       TYR  52  48.395   0.129   0.725
  378    H    PHE  53           H        PHE  53  45.475  -1.170  -7.015
  379    HA   PHE  53           HA       PHE  53  45.069  -3.601  -8.635
  380   1HB   PHE  53          1HB       PHE  53  43.105  -2.088  -8.469
  381   2HB   PHE  53          2HB       PHE  53  44.069  -0.794  -9.164
  382    HD1  PHE  53           HD1      PHE  53  44.187  -0.515 -11.471
  383    HD2  PHE  53           HD2      PHE  53  42.757  -4.189  -9.869
  384    HE1  PHE  53           HE1      PHE  53  43.525  -1.237 -13.727
  385    HE2  PHE  53           HE2      PHE  53  42.094  -4.917 -12.123
  386    HZ   PHE  53           HZ       PHE  53  42.477  -3.441 -14.056
  387    H    CYS  54           H        CYS  54  46.405  -3.987 -10.307
  388    HA   CYS  54           HA       CYS  54  48.551  -2.115 -10.845
  389   1HB   CYS  54          1HB       CYS  54  49.096  -4.490 -10.714
  390   2HB   CYS  54          2HB       CYS  54  47.930  -4.854 -11.978
  391    H    GLN  55           H        GLN  55  47.427  -0.381 -11.796
  392    HA   GLN  55           HA       GLN  55  45.813  -0.768 -14.123
  393   1HB   GLN  55          1HB       GLN  55  45.553   1.207 -12.639
  394   2HB   GLN  55          2HB       GLN  55  47.144   1.769 -13.139
  395   1HG   GLN  55          1HG       GLN  55  46.358   1.967 -15.439
  396   2HG   GLN  55          2HG       GLN  55  44.765   1.395 -14.948
  397   1HE2  GLN  55          1HE2      GLN  55  44.799   2.873 -12.432
  398   2HE2  GLN  55          2HE2      GLN  55  44.569   4.535 -12.845
  399    H    HIS  56           H        HIS  56  46.839  -1.830 -15.652
  400    HA   HIS  56           HA       HIS  56  48.612  -0.732 -17.448
  401   1HB   HIS  56          1HB       HIS  56  50.114  -1.020 -15.272
  402   2HB   HIS  56          2HB       HIS  56  50.187  -2.694 -15.813
  403    HD1  HIS  56           HD1      HIS  56  50.547  -2.366 -18.811
  404    HD2  HIS  56           HD2      HIS  56  52.527  -0.021 -15.995
  405    HE1  HIS  56           HE1      HIS  56  52.556  -1.441 -19.995
  406    HE2  HIS  56           HE2      HIS  56  53.564   0.189 -18.365
  407    H    GLY  57           H        GLY  57  47.522  -3.558 -15.699
  408   1HA   GLY  57          1HA       GLY  57  46.071  -4.954 -17.244
  409   2HA   GLY  57          2HA       GLY  57  47.520  -5.079 -18.226
  410    H    HIS  58           H        HIS  58  47.154  -5.342 -14.674
  411    HA   HIS  58           HA       HIS  58  47.890  -8.180 -14.936
  412   1HB   HIS  58          1HB       HIS  58  49.135  -6.185 -13.040
  413   2HB   HIS  58          2HB       HIS  58  49.263  -7.925 -12.816
  414    HD2  HIS  58           HD2      HIS  58  50.064  -8.844 -15.813
  415    HE1  HIS  58           HE1      HIS  58  53.171  -5.978 -15.529
  416    HE2  HIS  58           HE2      HIS  58  52.400  -8.104 -16.633
  417    H    GLY  59           H        GLY  59  45.716  -5.967 -13.719
  418   1HA   GLY  59          1HA       GLY  59  43.815  -6.361 -12.452
  419   2HA   GLY  59          2HA       GLY  59  44.397  -7.995 -12.151
  420    H    LEU  60           H        LEU  60  43.816  -7.794  -9.932
  421    HA   LEU  60           HA       LEU  60  44.983  -5.726  -8.317
  422   1HB   LEU  60          1HB       LEU  60  43.475  -8.246  -7.654
  423   2HB   LEU  60          2HB       LEU  60  44.185  -7.241  -6.407
  424    HG   LEU  60           HG       LEU  60  42.800  -5.324  -7.323
  425   1HD1  LEU  60          1HD1      LEU  60  40.829  -5.889  -8.629
  426   2HD1  LEU  60          2HD1      LEU  60  41.371  -7.563  -8.745
  427   3HD1  LEU  60          3HD1      LEU  60  42.303  -6.280  -9.515
  428   1HD2  LEU  60          1HD2      LEU  60  42.231  -6.502  -5.270
  429   2HD2  LEU  60          2HD2      LEU  60  41.351  -7.715  -6.200
  430   3HD2  LEU  60          3HD2      LEU  60  40.780  -6.046  -6.162
  431    H    ILE  61           H        ILE  61  46.697  -5.854  -6.912
  432    HA   ILE  61           HA       ILE  61  48.603  -7.981  -7.591
  433    HB   ILE  61           HB       ILE  61  49.038  -5.182  -6.554
  434   1HG1  ILE  61          1HG1      ILE  61  48.557  -5.367  -8.941
  435   2HG1  ILE  61          2HG1      ILE  61  50.233  -4.892  -8.683
  436   1HG2  ILE  61          1HG2      ILE  61  51.438  -5.617  -6.645
  437   2HG2  ILE  61          2HG2      ILE  61  51.123  -7.307  -7.043
  438   3HG2  ILE  61          3HG2      ILE  61  50.644  -6.666  -5.470
  439   1HD1  ILE  61          1HD1      ILE  61  49.270  -7.664  -9.358
  440   2HD1  ILE  61          2HD1      ILE  61  50.950  -7.185  -9.112
  441   3HD1  ILE  61          3HD1      ILE  61  50.034  -6.527 -10.469
  442    H    SER  62           H        SER  62  49.555  -9.224  -6.096
  443    HA   SER  62           HA       SER  62  48.305  -9.610  -3.587
  444   1HB   SER  62          1HB       SER  62  51.028 -10.702  -4.124
  445   2HB   SER  62          2HB       SER  62  49.597 -11.516  -3.486
  446    HG   SER  62           HG       SER  62  49.179 -12.164  -5.435
  447    H    LYS  63           H        LYS  63  49.148  -9.243  -1.482
  448    HA   LYS  63           HA       LYS  63  50.701  -6.818  -1.315
  449   1HB   LYS  63          1HB       LYS  63  49.425  -8.547   0.805
  450   2HB   LYS  63          2HB       LYS  63  50.356  -7.104   1.174
  451   1HG   LYS  63          1HG       LYS  63  48.133  -6.398   1.214
  452   2HG   LYS  63          2HG       LYS  63  48.732  -5.867  -0.358
  453   1HD   LYS  63          1HD       LYS  63  47.729  -7.902  -1.367
  454   2HD   LYS  63          2HD       LYS  63  47.043  -8.303   0.208
  455   1HE   LYS  63          1HE       LYS  63  45.884  -6.084   0.172
  456   2HE   LYS  63          2HE       LYS  63  46.448  -5.884  -1.487
  457   1HZ   LYS  63          1HZ       LYS  63  45.280  -7.982  -2.034
  458   2HZ   LYS  63          2HZ       LYS  63  44.235  -6.744  -1.535
  459   3HZ   LYS  63          3HZ       LYS  63  44.632  -7.997  -0.465
  460    H    LYS  64           H        LYS  64  51.327 -10.175  -1.140
  461    HA   LYS  64           HA       LYS  64  53.933  -9.803   0.101
  462   1HB   LYS  64          1HB       LYS  64  54.224 -12.219  -0.279
  463   2HB   LYS  64          2HB       LYS  64  52.717 -11.879   0.561
  464   1HG   LYS  64          1HG       LYS  64  51.432 -12.280  -1.379
  465   2HG   LYS  64          2HG       LYS  64  52.863 -12.278  -2.412
  466   1HD   LYS  64          1HD       LYS  64  52.082 -14.547  -2.063
  467   2HD   LYS  64          2HD       LYS  64  53.652 -14.318  -1.295
  468   1HE   LYS  64          1HE       LYS  64  52.610 -14.115   0.871
  469   2HE   LYS  64          2HE       LYS  64  51.005 -14.171   0.144
  470   1HZ   LYS  64          1HZ       LYS  64  53.001 -16.371   0.078
  471   2HZ   LYS  64          2HZ       LYS  64  51.448 -16.420  -0.595
  472   3HZ   LYS  64          3HZ       LYS  64  51.637 -16.309   1.086
  473    H    ARG  65           H        ARG  65  52.644  -9.190  -2.839
  474    HA   ARG  65           HA       ARG  65  55.148  -9.765  -4.278
  475   1HB   ARG  65          1HB       ARG  65  53.244 -11.273  -4.920
  476   2HB   ARG  65          2HB       ARG  65  52.355  -9.851  -5.442
  477   1HG   ARG  65          1HG       ARG  65  53.960  -9.411  -7.170
  478   2HG   ARG  65          2HG       ARG  65  55.007 -10.701  -6.582
  479   1HD   ARG  65          1HD       ARG  65  53.719 -11.375  -8.561
  480   2HD   ARG  65          2HD       ARG  65  53.342 -12.360  -7.149
  481    HE   ARG  65           HE       ARG  65  51.307 -10.912  -6.923
  482   1HH1  ARG  65          1HH1      ARG  65  52.886 -11.341 -10.007
  483   2HH1  ARG  65          2HH1      ARG  65  51.444 -11.092 -10.945
  484   1HH2  ARG  65          1HH2      ARG  65  49.384 -10.578  -8.148
  485   2HH2  ARG  65          2HH2      ARG  65  49.453 -10.657  -9.878
  486    H    VAL  66           H        VAL  66  54.361  -7.397  -2.837
  487    HA   VAL  66           HA       VAL  66  53.957  -5.467  -5.016
  488    HB   VAL  66           HB       VAL  66  52.374  -5.339  -3.102
  489   1HG1  VAL  66          1HG1      VAL  66  53.840  -6.063  -1.319
  490   2HG1  VAL  66          2HG1      VAL  66  53.156  -4.481  -0.948
  491   3HG1  VAL  66          3HG1      VAL  66  54.822  -4.610  -1.511
  492   1HG2  VAL  66          1HG2      VAL  66  52.553  -2.924  -2.733
  493   2HG2  VAL  66          2HG2      VAL  66  52.821  -3.348  -4.423
  494   3HG2  VAL  66          3HG2      VAL  66  54.191  -2.949  -3.387
  495    H    GLU  67           H        GLU  67  55.370  -3.669  -5.204
  496    HA   GLU  67           HA       GLU  67  58.024  -4.138  -4.030
  497   1HB   GLU  67          1HB       GLU  67  57.915  -4.188  -6.486
  498   2HB   GLU  67          2HB       GLU  67  57.225  -2.573  -6.494
  499   1HG   GLU  67          1HG       GLU  67  59.253  -1.618  -5.705
  500   2HG   GLU  67          2HG       GLU  67  59.946  -3.209  -5.388
  501    H    PHE  68           H        PHE  68  58.093  -3.014  -2.166
  502    HA   PHE  68           HA       PHE  68  56.914  -0.366  -2.002
  503   1HB   PHE  68          1HB       PHE  68  58.254  -2.150   0.021
  504   2HB   PHE  68          2HB       PHE  68  57.856  -0.475   0.380
  505    HD1  PHE  68           HD1      PHE  68  56.831  -3.561   1.111
  506    HD2  PHE  68           HD2      PHE  68  55.264  -0.033  -0.682
  507    HE1  PHE  68           HE1      PHE  68  54.560  -4.239   1.769
  508    HE2  PHE  68           HE2      PHE  68  52.990  -0.706  -0.027
  509    HZ   PHE  68           HZ       PHE  68  52.635  -2.809   1.202
  510    H    VAL  69           H        VAL  69  58.021   1.278  -2.808
  511    HA   VAL  69           HA       VAL  69  60.928   1.337  -2.358
  512    HB   VAL  69           HB       VAL  69  61.041   3.087  -4.085
  513   1HG1  VAL  69          1HG1      VAL  69  59.658   0.562  -4.983
  514   2HG1  VAL  69          2HG1      VAL  69  61.389   0.770  -4.721
  515   3HG1  VAL  69          3HG1      VAL  69  60.583   1.651  -6.018
  516   1HG2  VAL  69          1HG2      VAL  69  58.814   4.037  -3.839
  517   2HG2  VAL  69          2HG2      VAL  69  58.096   2.548  -4.454
  518   3HG2  VAL  69          3HG2      VAL  69  59.098   3.543  -5.510
  519    H    LEU  70           H        LEU  70  61.890   3.122  -1.433
  520    HA   LEU  70           HA       LEU  70  60.151   4.635   0.340
  521   1HB   LEU  70          1HB       LEU  70  62.415   3.499   0.930
  522   2HB   LEU  70          2HB       LEU  70  63.144   4.895   0.160
  523    HG   LEU  70           HG       LEU  70  61.224   5.122   2.478
  524   1HD1  LEU  70          1HD1      LEU  70  63.196   5.410   3.898
  525   2HD1  LEU  70          2HD1      LEU  70  64.238   5.031   2.526
  526   3HD1  LEU  70          3HD1      LEU  70  63.150   3.804   3.171
  527   1HD2  LEU  70          1HD2      LEU  70  61.500   7.139   1.130
  528   2HD2  LEU  70          2HD2      LEU  70  63.249   7.040   1.331
  529   3HD2  LEU  70          3HD2      LEU  70  62.215   7.334   2.730
  530    H    ALA  71           H        ALA  71  59.445   6.609  -0.148
  531    HA   ALA  71           HA       ALA  71  60.091   7.843  -2.618
  532   1HB   ALA  71          1HB       ALA  71  57.888   8.059  -1.579
  533   2HB   ALA  71          2HB       ALA  71  58.613   9.639  -1.891
  534   3HB   ALA  71          3HB       ALA  71  58.603   8.979  -0.256
  Start of MODEL   17
    1    H    MET   1           H        MET   1  60.739  -9.898  12.790
    2    HA   MET   1           HA       MET   1  62.352  -9.253  10.393
    3   1HB   MET   1          1HB       MET   1  60.559 -10.892   9.946
    4   2HB   MET   1          2HB       MET   1  59.387  -9.794  10.658
    5   1HG   MET   1          1HG       MET   1  59.800  -8.171   8.912
    6   2HG   MET   1          2HG       MET   1  61.048  -9.205   8.219
    7   1HE   MET   1          1HE       MET   1  58.934 -12.295   7.034
    8   2HE   MET   1          2HE       MET   1  59.691 -12.089   8.614
    9   3HE   MET   1          3HE       MET   1  60.549 -11.596   7.154
   10    H    GLU   2           H        GLU   2  62.902  -7.199  10.598
   11    HA   GLU   2           HA       GLU   2  60.794  -5.236  11.044
   12   1HB   GLU   2          1HB       GLU   2  62.293  -3.947  12.593
   13   2HB   GLU   2          2HB       GLU   2  61.678  -5.450  13.265
   14   1HG   GLU   2          1HG       GLU   2  63.805  -6.545  12.788
   15   2HG   GLU   2          2HG       GLU   2  64.420  -5.048  12.087
   16    H    LEU   3           H        LEU   3  61.385  -3.107  10.284
   17    HA   LEU   3           HA       LEU   3  63.618  -3.159   8.364
   18   1HB   LEU   3          1HB       LEU   3  61.073  -1.528   8.295
   19   2HB   LEU   3          2HB       LEU   3  62.390  -1.372   7.149
   20    HG   LEU   3           HG       LEU   3  60.646  -3.807   7.530
   21   1HD1  LEU   3          1HD1      LEU   3  60.848  -1.840   5.255
   22   2HD1  LEU   3          2HD1      LEU   3  59.517  -1.964   6.404
   23   3HD1  LEU   3          3HD1      LEU   3  59.842  -3.289   5.286
   24   1HD2  LEU   3          1HD2      LEU   3  62.904  -3.320   5.588
   25   2HD2  LEU   3          2HD2      LEU   3  61.833  -4.722   5.596
   26   3HD2  LEU   3          3HD2      LEU   3  62.929  -4.443   6.948
   27    H    HIS   4           H        HIS   4  64.980  -1.341   8.257
   28    HA   HIS   4           HA       HIS   4  64.850   0.330  10.675
   29   1HB   HIS   4          1HB       HIS   4  67.280  -0.575   9.116
   30   2HB   HIS   4          2HB       HIS   4  67.319   0.525  10.491
   31    HD1  HIS   4           HD1      HIS   4  68.065  -2.803   9.843
   32    HD2  HIS   4           HD2      HIS   4  65.733  -0.955  12.748
   33    HE1  HIS   4           HE1      HIS   4  67.870  -4.467  11.718
   34    HE2  HIS   4           HE2      HIS   4  66.227  -3.428  13.327
   35    H    CYS   5           H        CYS   5  65.659   2.498  10.531
   36    HA   CYS   5           HA       CYS   5  64.739   3.847   8.173
   37   1HB   CYS   5          1HB       CYS   5  66.298   5.004  10.488
   38   2HB   CYS   5          2HB       CYS   5  65.319   5.888   9.330
   39    HA   PRO   6           HA       PRO   6  68.547   3.530   5.860
   40   1HB   PRO   6          1HB       PRO   6  67.474   6.027   4.635
   41   2HB   PRO   6          2HB       PRO   6  68.056   4.551   3.857
   42   1HG   PRO   6          1HG       PRO   6  65.452   5.060   4.007
   43   2HG   PRO   6          2HG       PRO   6  66.069   3.411   4.234
   44   1HD   PRO   6          1HD       PRO   6  65.094   5.369   6.267
   45   2HD   PRO   6          2HD       PRO   6  64.906   3.604   6.217
   46    H    GLN   7           H        GLN   7  67.456   6.746   6.925
   47    HA   GLN   7           HA       GLN   7  70.245   7.606   7.188
   48   1HB   GLN   7          1HB       GLN   7  67.873   9.388   7.659
   49   2HB   GLN   7          2HB       GLN   7  69.486   9.821   7.115
   50   1HG   GLN   7          1HG       GLN   7  68.333  10.077   5.176
   51   2HG   GLN   7          2HG       GLN   7  68.806   8.386   5.020
   52   1HE2  GLN   7          1HE2      GLN   7  66.572   9.834   3.836
   53   2HE2  GLN   7          2HE2      GLN   7  65.142   8.984   4.320
   54    H    CYS   8           H        CYS   8  67.216   7.857   9.026
   55    HA   CYS   8           HA       CYS   8  68.660   8.465  11.457
   56   1HB   CYS   8          1HB       CYS   8  66.325   8.707  12.400
   57   2HB   CYS   8          2HB       CYS   8  66.718   9.800  11.078
   58    H    GLN   9           H        GLN   9  69.572   6.220  11.058
   59    HA   GLN   9           HA       GLN   9  68.619   3.780  11.178
   60   1HB   GLN   9          1HB       GLN   9  70.763   4.842  13.002
   61   2HB   GLN   9          2HB       GLN   9  70.440   3.133  12.763
   62   1HG   GLN   9          1HG       GLN   9  71.042   4.920  10.441
   63   2HG   GLN   9          2HG       GLN   9  72.334   4.242  11.428
   64   1HE2  GLN   9          1HE2      GLN   9  69.811   3.554   9.141
   65   2HE2  GLN   9          2HE2      GLN   9  70.301   1.932   8.786
   66    H    HIS  10           H        HIS  10  66.752   3.237  12.032
   67    HA   HIS  10           HA       HIS  10  66.588   2.485  14.748
   68   1HB   HIS  10          1HB       HIS  10  65.439   5.083  13.998
   69   2HB   HIS  10          2HB       HIS  10  64.274   3.995  14.745
   70    HD1  HIS  10           HD1      HIS  10  66.550   6.552  15.653
   71    HD2  HIS  10           HD2      HIS  10  65.557   2.849  17.275
   72    HE1  HIS  10           HE1      HIS  10  67.218   6.663  18.078
   73    HE2  HIS  10           HE2      HIS  10  66.502   4.456  19.061
   74    H    VAL  11           H        VAL  11  63.920   2.017  15.035
   75    HA   VAL  11           HA       VAL  11  63.482   0.119  12.881
   76    HB   VAL  11           HB       VAL  11  62.070   0.496  15.524
   77   1HG1  VAL  11          1HG1      VAL  11  60.510  -0.358  13.846
   78   2HG1  VAL  11          2HG1      VAL  11  60.901  -1.589  15.050
   79   3HG1  VAL  11          3HG1      VAL  11  61.643  -1.652  13.451
   80   1HG2  VAL  11          1HG2      VAL  11  64.328  -0.382  15.710
   81   2HG2  VAL  11          2HG2      VAL  11  63.955  -1.636  14.527
   82   3HG2  VAL  11          3HG2      VAL  11  63.145  -1.632  16.093
   83    H    LEU  12           H        LEU  12  61.994   0.242  11.363
   84    HA   LEU  12           HA       LEU  12  60.050   2.439  11.399
   85   1HB   LEU  12          1HB       LEU  12  61.006   0.593   9.209
   86   2HB   LEU  12          2HB       LEU  12  59.657   1.693   9.007
   87    HG   LEU  12           HG       LEU  12  62.481   2.545   9.650
   88   1HD1  LEU  12          1HD1      LEU  12  62.535   3.339   7.329
   89   2HD1  LEU  12          2HD1      LEU  12  60.955   2.606   7.049
   90   3HD1  LEU  12          3HD1      LEU  12  62.347   1.588   7.418
   91   1HD2  LEU  12          1HD2      LEU  12  60.777   4.082  10.480
   92   2HD2  LEU  12          2HD2      LEU  12  60.031   4.129   8.883
   93   3HD2  LEU  12          3HD2      LEU  12  61.652   4.782   9.119
   94    H    ASP  13           H        ASP  13  58.010   2.035  11.930
   95    HA   ASP  13           HA       ASP  13  57.107  -0.763  11.988
   96   1HB   ASP  13          1HB       ASP  13  57.054   0.604  14.115
   97   2HB   ASP  13          2HB       ASP  13  55.827   1.613  13.354
   98    H    GLN  14           H        GLN  14  55.669  -1.411  10.532
   99    HA   GLN  14           HA       GLN  14  54.454   0.604   8.797
  100   1HB   GLN  14          1HB       GLN  14  54.685  -2.398   8.471
  101   2HB   GLN  14          2HB       GLN  14  53.939  -1.317   7.304
  102   1HG   GLN  14          1HG       GLN  14  56.102  -1.788   6.499
  103   2HG   GLN  14          2HG       GLN  14  56.154  -0.144   7.129
  104   1HE2  GLN  14          1HE2      GLN  14  58.358  -0.171   7.447
  105   2HE2  GLN  14          2HE2      GLN  14  59.110  -1.095   8.700
  106    H    ASP  15           H        ASP  15  52.223   0.597   8.333
  107    HA   ASP  15           HA       ASP  15  50.528  -1.115   9.997
  108   1HB   ASP  15          1HB       ASP  15  50.744   0.954  11.270
  109   2HB   ASP  15          2HB       ASP  15  50.273   1.898   9.860
  110    H    ASN  16           H        ASN  16  49.955   1.698   7.882
  111    HA   ASN  16           HA       ASN  16  48.062   0.037   6.378
  112   1HB   ASN  16          1HB       ASN  16  47.185   2.127   7.372
  113   2HB   ASN  16          2HB       ASN  16  48.345   3.049   6.421
  114   1HD2  ASN  16          1HD2      ASN  16  45.412   1.219   6.378
  115   2HD2  ASN  16          2HD2      ASN  16  44.924   1.658   4.778
  116    H    GLY  17           H        GLY  17  50.085   2.843   5.518
  117   1HA   GLY  17          1HA       GLY  17  51.388   1.286   3.431
  118   2HA   GLY  17          2HA       GLY  17  50.328   2.572   2.874
  119    H    HIS  18           H        HIS  18  51.732   3.356   5.824
  120    HA   HIS  18           HA       HIS  18  53.893   4.848   4.478
  121   1HB   HIS  18          1HB       HIS  18  52.249   5.699   6.884
  122   2HB   HIS  18          2HB       HIS  18  53.635   6.578   6.253
  123    HD1  HIS  18           HD1      HIS  18  53.016   8.484   4.791
  124    HD2  HIS  18           HD2      HIS  18  50.144   5.463   4.725
  125    HE1  HIS  18           HE1      HIS  18  51.151   9.336   3.331
  126    HE2  HIS  18           HE2      HIS  18  49.389   7.528   3.366
  127    H    ALA  19           H        ALA  19  55.866   5.039   5.640
  128    HA   ALA  19           HA       ALA  19  56.261   2.882   7.567
  129   1HB   ALA  19          1HB       ALA  19  57.858   2.976   5.769
  130   2HB   ALA  19          2HB       ALA  19  58.671   3.399   7.276
  131   3HB   ALA  19          3HB       ALA  19  58.223   4.661   6.130
  132    H    ARG  20           H        ARG  20  56.073   3.299   9.643
  133    HA   ARG  20           HA       ARG  20  56.228   6.073  10.542
  134   1HB   ARG  20          1HB       ARG  20  55.026   3.590  11.757
  135   2HB   ARG  20          2HB       ARG  20  55.175   5.104  12.639
  136   1HG   ARG  20          1HG       ARG  20  53.713   4.824  10.026
  137   2HG   ARG  20          2HG       ARG  20  52.944   4.729  11.614
  138   1HD   ARG  20          1HD       ARG  20  54.568   7.073  10.650
  139   2HD   ARG  20          2HD       ARG  20  52.810   6.975  10.540
  140    HE   ARG  20           HE       ARG  20  52.849   6.764  13.030
  141   1HH1  ARG  20          1HH1      ARG  20  55.541   8.282  11.372
  142   2HH1  ARG  20          2HH1      ARG  20  55.935   9.328  12.696
  143   1HH2  ARG  20          1HH2      ARG  20  53.356   8.140  14.770
  144   2HH2  ARG  20          2HH2      ARG  20  54.661   9.282  14.613
  145    H    CYS  21           H        CYS  21  58.144   6.694  11.237
  146    HA   CYS  21           HA       CYS  21  60.060   5.005  12.469
  147   1HB   CYS  21          1HB       CYS  21  59.682   8.003  12.384
  148   2HB   CYS  21          2HB       CYS  21  61.049   7.255  13.194
  149    H    ARG  22           H        ARG  22  59.211   3.873  14.143
  150    HA   ARG  22           HA       ARG  22  57.231   4.937  15.875
  151   1HB   ARG  22          1HB       ARG  22  57.469   2.539  15.160
  152   2HB   ARG  22          2HB       ARG  22  58.839   2.411  16.253
  153   1HG   ARG  22          1HG       ARG  22  57.463   2.768  18.153
  154   2HG   ARG  22          2HG       ARG  22  56.084   3.213  17.146
  155   1HD   ARG  22          1HD       ARG  22  56.076   0.928  16.207
  156   2HD   ARG  22          2HD       ARG  22  57.395   0.500  17.297
  157    HE   ARG  22           HE       ARG  22  55.911   0.662  19.128
  158   1HH1  ARG  22          1HH1      ARG  22  54.339   1.057  16.016
  159   2HH1  ARG  22          2HH1      ARG  22  52.739   0.819  16.652
  160   1HH2  ARG  22          1HH2      ARG  22  53.791   0.354  19.962
  161   2HH2  ARG  22          2HH2      ARG  22  52.431   0.450  18.882
  162    H    SER  23           H        SER  23  60.672   4.761  16.026
  163    HA   SER  23           HA       SER  23  60.649   5.559  18.840
  164   1HB   SER  23          1HB       SER  23  63.221   5.269  18.436
  165   2HB   SER  23          2HB       SER  23  62.191   3.844  18.606
  166    HG   SER  23           HG       SER  23  62.880   3.298  16.715
  167    H    CYS  24           H        CYS  24  62.339   6.495  15.829
  168    HA   CYS  24           HA       CYS  24  63.274   8.933  16.851
  169   1HB   CYS  24          1HB       CYS  24  63.227   9.336  14.135
  170   2HB   CYS  24          2HB       CYS  24  64.528   8.566  15.037
  171    H    GLY  25           H        GLY  25  60.391   8.256  14.833
  172   1HA   GLY  25          1HA       GLY  25  58.401   9.439  15.745
  173   2HA   GLY  25          2HA       GLY  25  59.397  10.880  15.752
  174    H    GLU  26           H        GLU  26  60.580  10.639  13.215
  175    HA   GLU  26           HA       GLU  26  58.674  12.099  11.802
  176   1HB   GLU  26          1HB       GLU  26  60.255  12.081   9.937
  177   2HB   GLU  26          2HB       GLU  26  61.042  12.419  11.467
  178   1HG   GLU  26          1HG       GLU  26  61.031   9.691  10.223
  179   2HG   GLU  26          2HG       GLU  26  62.265  10.899   9.875
  180    H    PHE  27           H        PHE  27  57.917  11.747   9.590
  181    HA   PHE  27           HA       PHE  27  56.796   9.042   9.311
  182   1HB   PHE  27          1HB       PHE  27  56.017  11.643   7.961
  183   2HB   PHE  27          2HB       PHE  27  55.207  10.100   7.740
  184    HD1  PHE  27           HD1      PHE  27  53.551   9.370   9.236
  185    HD2  PHE  27           HD2      PHE  27  55.930  12.766  10.192
  186    HE1  PHE  27           HE1      PHE  27  52.032   9.908  11.093
  187    HE2  PHE  27           HE2      PHE  27  54.418  13.307  12.053
  188    HZ   PHE  27           HZ       PHE  27  52.464  11.879  12.504
  189    H    ILE  28           H        ILE  28  57.212   7.809   7.513
  190    HA   ILE  28           HA       ILE  28  58.820   9.073   5.399
  191    HB   ILE  28           HB       ILE  28  59.057   6.245   6.434
  192   1HG1  ILE  28          1HG1      ILE  28  61.021   8.545   6.363
  193   2HG1  ILE  28          2HG1      ILE  28  60.210   7.927   7.797
  194   1HG2  ILE  28          1HG2      ILE  28  60.447   7.533   4.085
  195   2HG2  ILE  28          2HG2      ILE  28  59.225   6.263   4.001
  196   3HG2  ILE  28          3HG2      ILE  28  60.795   5.930   4.735
  197   1HD1  ILE  28          1HD1      ILE  28  62.500   7.148   7.681
  198   2HD1  ILE  28          2HD1      ILE  28  62.194   6.427   6.103
  199   3HD1  ILE  28          3HD1      ILE  28  61.377   5.798   7.532
  200    H    GLU  29           H        GLU  29  57.420   9.426   3.821
  201    HA   GLU  29           HA       GLU  29  55.252   7.700   3.175
  202   1HB   GLU  29          1HB       GLU  29  56.492  10.120   1.949
  203   2HB   GLU  29          2HB       GLU  29  55.472   9.114   0.931
  204   1HG   GLU  29          1HG       GLU  29  54.251  10.981   1.932
  205   2HG   GLU  29          2HG       GLU  29  53.607   9.418   2.422
  206    H    MET  30           H        MET  30  55.200   5.978   1.912
  207    HA   MET  30           HA       MET  30  57.664   5.288   0.465
  208   1HB   MET  30          1HB       MET  30  55.624   3.597   1.868
  209   2HB   MET  30          2HB       MET  30  56.600   2.913   0.573
  210   1HG   MET  30          1HG       MET  30  58.633   3.513   1.788
  211   2HG   MET  30          2HG       MET  30  57.653   4.192   3.087
  212   1HE   MET  30          1HE       MET  30  59.318   2.539   4.588
  213   2HE   MET  30          2HE       MET  30  59.991   1.822   3.123
  214   3HE   MET  30          3HE       MET  30  59.328   0.786   4.388
  215    H    LYS  31           H        LYS  31  57.630   4.884  -1.614
  216    HA   LYS  31           HA       LYS  31  55.261   5.582  -3.113
  217   1HB   LYS  31          1HB       LYS  31  57.608   6.361  -3.640
  218   2HB   LYS  31          2HB       LYS  31  57.983   4.714  -4.111
  219   1HG   LYS  31          1HG       LYS  31  56.667   4.829  -6.021
  220   2HG   LYS  31          2HG       LYS  31  55.739   6.207  -5.416
  221   1HD   LYS  31          1HD       LYS  31  57.673   7.651  -5.626
  222   2HD   LYS  31          2HD       LYS  31  58.679   6.286  -6.106
  223   1HE   LYS  31          1HE       LYS  31  56.256   7.087  -7.683
  224   2HE   LYS  31          2HE       LYS  31  57.816   7.867  -7.933
  225   1HZ   LYS  31          1HZ       LYS  31  57.610   6.106  -9.495
  226   2HZ   LYS  31          2HZ       LYS  31  57.176   4.996  -8.297
  227   3HZ   LYS  31          3HZ       LYS  31  58.749   5.615  -8.339
  228    H    ALA  32           H        ALA  32  53.778   4.021  -3.159
  229    HA   ALA  32           HA       ALA  32  54.426   1.222  -3.098
  230   1HB   ALA  32          1HB       ALA  32  51.761   2.572  -3.514
  231   2HB   ALA  32          2HB       ALA  32  52.448   2.114  -1.956
  232   3HB   ALA  32          3HB       ALA  32  52.023   0.871  -3.131
  233    H    LEU  33           H        LEU  33  55.428   0.527  -4.895
  234    HA   LEU  33           HA       LEU  33  54.117   1.052  -7.482
  235   1HB   LEU  33          1HB       LEU  33  57.003   0.368  -6.925
  236   2HB   LEU  33          2HB       LEU  33  56.309   0.659  -8.508
  237    HG   LEU  33           HG       LEU  33  56.532   2.701  -6.299
  238   1HD1  LEU  33          1HD1      LEU  33  58.079   2.406  -8.869
  239   2HD1  LEU  33          2HD1      LEU  33  58.694   2.073  -7.250
  240   3HD1  LEU  33          3HD1      LEU  33  58.241   3.717  -7.700
  241   1HD2  LEU  33          1HD2      LEU  33  55.623   2.976  -9.164
  242   2HD2  LEU  33          2HD2      LEU  33  55.840   4.298  -8.016
  243   3HD2  LEU  33          3HD2      LEU  33  54.596   3.082  -7.734
  244    H    CYS  34           H        CYS  34  54.305  -0.661  -9.073
  245    HA   CYS  34           HA       CYS  34  54.165  -3.325  -7.889
  246   1HB   CYS  34          1HB       CYS  34  52.441  -2.544  -9.535
  247   2HB   CYS  34          2HB       CYS  34  53.704  -2.464 -10.754
  248    HA   PRO  35           HA       PRO  35  58.498  -3.607  -8.660
  249   1HB   PRO  35          1HB       PRO  35  58.814  -6.259  -8.108
  250   2HB   PRO  35          2HB       PRO  35  58.619  -5.016  -6.867
  251   1HG   PRO  35          1HG       PRO  35  56.581  -6.884  -8.016
  252   2HG   PRO  35          2HG       PRO  35  56.840  -6.411  -6.326
  253   1HD   PRO  35          1HD       PRO  35  54.883  -5.333  -7.831
  254   2HD   PRO  35          2HD       PRO  35  55.739  -4.395  -6.591
  255    H    ASP  36           H        ASP  36  56.172  -5.463 -10.422
  256    HA   ASP  36           HA       ASP  36  58.156  -6.668 -12.147
  257   1HB   ASP  36          1HB       ASP  36  56.212  -7.670 -13.328
  258   2HB   ASP  36          2HB       ASP  36  56.248  -8.032 -11.608
  259    H    CYS  37           H        CYS  37  56.478  -3.708 -12.106
  260    HA   CYS  37           HA       CYS  37  57.196  -3.293 -14.917
  261   1HB   CYS  37          1HB       CYS  37  54.982  -2.064 -15.210
  262   2HB   CYS  37          2HB       CYS  37  54.922  -3.822 -15.154
  263    H    HIS  38           H        HIS  38  57.271  -2.127 -11.785
  264    HA   HIS  38           HA       HIS  38  58.155  -0.240 -10.874
  265   1HB   HIS  38          1HB       HIS  38  58.744   0.369 -13.758
  266   2HB   HIS  38          2HB       HIS  38  59.061   1.553 -12.499
  267    HD1  HIS  38           HD1      HIS  38  61.519   1.575 -12.332
  268    HD2  HIS  38           HD2      HIS  38  59.998  -2.295 -12.424
  269    HE1  HIS  38           HE1      HIS  38  63.493   0.060 -11.943
  270    HE2  HIS  38           HE2      HIS  38  62.521  -2.265 -11.845
  271    H    GLN  39           H        GLN  39  55.361  -0.380 -12.526
  272    HA   GLN  39           HA       GLN  39  54.762   2.462 -12.468
  273   1HB   GLN  39          1HB       GLN  39  53.062   0.130 -13.375
  274   2HB   GLN  39          2HB       GLN  39  52.672   1.835 -13.587
  275   1HG   GLN  39          1HG       GLN  39  54.991   0.356 -14.811
  276   2HG   GLN  39          2HG       GLN  39  53.547   0.932 -15.643
  277   1HE2  GLN  39          1HE2      GLN  39  56.462   1.545 -15.946
  278   2HE2  GLN  39          2HE2      GLN  39  56.569   3.269 -15.858
  279    HA   PRO  40           HA       PRO  40  52.802   2.477  -8.562
  280   1HB   PRO  40          1HB       PRO  40  50.816   4.302  -8.974
  281   2HB   PRO  40          2HB       PRO  40  52.519   4.739  -8.788
  282   1HG   PRO  40          1HG       PRO  40  50.908   4.422 -11.292
  283   2HG   PRO  40          2HG       PRO  40  52.081   5.683 -10.866
  284   1HD   PRO  40          1HD       PRO  40  52.717   3.629 -12.487
  285   2HD   PRO  40          2HD       PRO  40  53.896   4.338 -11.364
  286    H    LEU  41           H        LEU  41  51.044   1.723  -7.415
  287    HA   LEU  41           HA       LEU  41  49.192   0.070  -8.933
  288   1HB   LEU  41          1HB       LEU  41  49.741   0.273  -5.973
  289   2HB   LEU  41          2HB       LEU  41  48.590  -0.836  -6.697
  290    HG   LEU  41           HG       LEU  41  51.561  -0.836  -7.229
  291   1HD1  LEU  41          1HD1      LEU  41  51.571  -2.911  -5.934
  292   2HD1  LEU  41          2HD1      LEU  41  49.861  -2.684  -5.562
  293   3HD1  LEU  41          3HD1      LEU  41  51.057  -1.536  -4.955
  294   1HD2  LEU  41          1HD2      LEU  41  51.084  -2.989  -8.324
  295   2HD2  LEU  41          2HD2      LEU  41  50.293  -1.634  -9.129
  296   3HD2  LEU  41          3HD2      LEU  41  49.360  -2.707  -8.087
  297    H    GLN  42           H        GLN  42  47.087   0.470  -9.151
  298    HA   GLN  42           HA       GLN  42  46.055   3.028  -8.352
  299   1HB   GLN  42          1HB       GLN  42  45.463   2.000 -10.518
  300   2HB   GLN  42          2HB       GLN  42  44.662   0.684  -9.669
  301   1HG   GLN  42          1HG       GLN  42  43.093   2.313  -8.690
  302   2HG   GLN  42          2HG       GLN  42  43.867   3.587  -9.630
  303   1HE2  GLN  42          1HE2      GLN  42  41.115   2.653  -9.671
  304   2HE2  GLN  42          2HE2      GLN  42  40.802   2.162 -11.304
  305    H    VAL  43           H        VAL  43  44.882   3.487  -6.613
  306    HA   VAL  43           HA       VAL  43  44.459   1.436  -4.633
  307    HB   VAL  43           HB       VAL  43  43.731   4.369  -4.534
  308   1HG1  VAL  43          1HG1      VAL  43  43.979   2.315  -2.341
  309   2HG1  VAL  43          2HG1      VAL  43  42.488   3.068  -2.911
  310   3HG1  VAL  43          3HG1      VAL  43  43.713   4.041  -2.097
  311   1HG2  VAL  43          1HG2      VAL  43  46.186   2.951  -3.504
  312   2HG2  VAL  43          2HG2      VAL  43  45.791   4.650  -3.243
  313   3HG2  VAL  43          3HG2      VAL  43  46.124   4.061  -4.872
  314    H    LEU  44           H        LEU  44  42.744   0.141  -4.835
  315    HA   LEU  44           HA       LEU  44  40.245   1.162  -5.922
  316   1HB   LEU  44          1HB       LEU  44  40.988  -1.584  -4.904
  317   2HB   LEU  44          2HB       LEU  44  39.439  -1.166  -5.611
  318    HG   LEU  44           HG       LEU  44  42.110  -1.161  -7.017
  319   1HD1  LEU  44          1HD1      LEU  44  39.663  -2.890  -7.341
  320   2HD1  LEU  44          2HD1      LEU  44  41.203  -3.383  -6.638
  321   3HD1  LEU  44          3HD1      LEU  44  41.110  -2.956  -8.346
  322   1HD2  LEU  44          1HD2      LEU  44  40.859  -0.599  -9.033
  323   2HD2  LEU  44          2HD2      LEU  44  40.696   0.668  -7.817
  324   3HD2  LEU  44          3HD2      LEU  44  39.375  -0.470  -8.086
  325    H    LYS  45           H        LYS  45  39.043   2.320  -4.601
  326    HA   LYS  45           HA       LYS  45  39.202   1.896  -1.726
  327   1HB   LYS  45          1HB       LYS  45  37.865   4.061  -3.360
  328   2HB   LYS  45          2HB       LYS  45  37.942   4.027  -1.603
  329   1HG   LYS  45          1HG       LYS  45  40.301   4.312  -1.617
  330   2HG   LYS  45          2HG       LYS  45  40.380   4.051  -3.362
  331   1HD   LYS  45          1HD       LYS  45  39.100   6.092  -3.736
  332   2HD   LYS  45          2HD       LYS  45  38.987   6.348  -1.994
  333   1HE   LYS  45          1HE       LYS  45  41.337   6.703  -1.815
  334   2HE   LYS  45          2HE       LYS  45  41.602   6.174  -3.476
  335   1HZ   LYS  45          1HZ       LYS  45  41.612   8.657  -3.036
  336   2HZ   LYS  45          2HZ       LYS  45  39.929   8.535  -2.844
  337   3HZ   LYS  45          3HZ       LYS  45  40.649   8.114  -4.318
  338    H    ALA  46           H        ALA  46  37.635   1.035  -0.524
  339    HA   ALA  46           HA       ALA  46  34.888   0.998  -1.497
  340   1HB   ALA  46          1HB       ALA  46  34.605  -1.394  -1.087
  341   2HB   ALA  46          2HB       ALA  46  36.318  -1.538  -0.693
  342   3HB   ALA  46          3HB       ALA  46  35.822  -1.107  -2.330
  343    H    CYS  47           H        CYS  47  36.773   2.012   0.729
  344    HA   CYS  47           HA       CYS  47  36.523   2.722   2.858
  345   1HB   CYS  47          1HB       CYS  47  34.189   3.174   2.389
  346   2HB   CYS  47          2HB       CYS  47  33.773   1.483   2.652
  347    HG   CYS  47           HG       CYS  47  34.205   3.955   4.871
  348    H    GLY  48           H        GLY  48  34.676  -0.327   3.051
  349   1HA   GLY  48          1HA       GLY  48  36.061  -1.121   5.419
  350   2HA   GLY  48          2HA       GLY  48  34.942  -2.109   4.489
  351    H    ALA  49           H        ALA  49  36.432  -1.810   2.016
  352    HA   ALA  49           HA       ALA  49  38.849  -3.360   2.650
  353   1HB   ALA  49          1HB       ALA  49  36.920  -3.916   0.396
  354   2HB   ALA  49          2HB       ALA  49  37.078  -4.869   1.871
  355   3HB   ALA  49          3HB       ALA  49  38.416  -4.791   0.724
  356    H    VAL  50           H        VAL  50  40.610  -3.030   1.300
  357    HA   VAL  50           HA       VAL  50  40.294  -1.149  -0.919
  358    HB   VAL  50           HB       VAL  50  41.022   0.171   1.050
  359   1HG1  VAL  50          1HG1      VAL  50  43.478  -1.569   0.974
  360   2HG1  VAL  50          2HG1      VAL  50  42.267  -1.515   2.255
  361   3HG1  VAL  50          3HG1      VAL  50  43.285  -0.109   1.944
  362   1HG2  VAL  50          1HG2      VAL  50  43.065  -0.083  -1.152
  363   2HG2  VAL  50          2HG2      VAL  50  42.952   1.268  -0.025
  364   3HG2  VAL  50          3HG2      VAL  50  41.632   0.947  -1.151
  365    H    ASP  51           H        ASP  51  41.600  -1.607  -2.658
  366    HA   ASP  51           HA       ASP  51  43.508  -3.826  -2.316
  367   1HB   ASP  51          1HB       ASP  51  41.296  -3.541  -4.290
  368   2HB   ASP  51          2HB       ASP  51  42.796  -4.284  -4.836
  369    H    TYR  52           H        TYR  52  45.203  -3.951  -3.845
  370    HA   TYR  52           HA       TYR  52  45.908  -1.360  -5.046
  371   1HB   TYR  52          1HB       TYR  52  47.745  -3.690  -4.428
  372   2HB   TYR  52          2HB       TYR  52  48.223  -2.071  -4.924
  373    HD1  TYR  52           HD1      TYR  52  47.980  -0.173  -3.333
  374    HD2  TYR  52           HD2      TYR  52  47.261  -4.196  -2.153
  375    HE1  TYR  52           HE1      TYR  52  48.167   0.491  -0.972
  376    HE2  TYR  52           HE2      TYR  52  47.445  -3.545   0.210
  377    HH   TYR  52           HH       TYR  52  47.465  -0.281   1.223
  378    H    PHE  53           H        PHE  53  45.238  -1.377  -7.130
  379    HA   PHE  53           HA       PHE  53  45.374  -3.919  -8.594
  380   1HB   PHE  53          1HB       PHE  53  43.181  -2.789  -8.493
  381   2HB   PHE  53          2HB       PHE  53  43.879  -1.384  -9.292
  382    HD1  PHE  53           HD1      PHE  53  43.734  -1.213 -11.592
  383    HD2  PHE  53           HD2      PHE  53  43.423  -5.047  -9.776
  384    HE1  PHE  53           HE1      PHE  53  43.217  -2.207 -13.783
  385    HE2  PHE  53           HE2      PHE  53  42.903  -6.047 -11.961
  386    HZ   PHE  53           HZ       PHE  53  42.800  -4.627 -13.969
  387    H    CYS  54           H        CYS  54  46.926  -4.240 -10.014
  388    HA   CYS  54           HA       CYS  54  48.448  -1.973 -11.033
  389   1HB   CYS  54          1HB       CYS  54  49.726  -3.899 -10.256
  390   2HB   CYS  54          2HB       CYS  54  48.847  -4.958 -11.352
  391    H    GLN  55           H        GLN  55  47.042  -1.000 -12.460
  392    HA   GLN  55           HA       GLN  55  45.670  -2.499 -14.471
  393   1HB   GLN  55          1HB       GLN  55  44.921  -0.267 -13.519
  394   2HB   GLN  55          2HB       GLN  55  46.181   0.472 -14.501
  395   1HG   GLN  55          1HG       GLN  55  44.335  -1.348 -15.901
  396   2HG   GLN  55          2HG       GLN  55  43.654   0.160 -15.315
  397   1HE2  GLN  55          1HE2      GLN  55  44.395   2.112 -16.160
  398   2HE2  GLN  55          2HE2      GLN  55  45.269   2.184 -17.652
  399    H    HIS  56           H        HIS  56  46.943  -3.605 -15.687
  400    HA   HIS  56           HA       HIS  56  48.393  -2.733 -17.845
  401   1HB   HIS  56          1HB       HIS  56  50.010  -2.695 -15.359
  402   2HB   HIS  56          2HB       HIS  56  50.742  -3.538 -16.718
  403    HD1  HIS  56           HD1      HIS  56  50.045  -1.752 -19.050
  404    HD2  HIS  56           HD2      HIS  56  51.227  -0.275 -15.343
  405    HE1  HIS  56           HE1      HIS  56  50.902   0.571 -19.486
  406    HE2  HIS  56           HE2      HIS  56  51.385   1.525 -17.203
  407    H    GLY  57           H        GLY  57  46.748  -4.879 -16.509
  408   1HA   GLY  57          1HA       GLY  57  46.367  -7.083 -17.052
  409   2HA   GLY  57          2HA       GLY  57  47.859  -7.079 -17.975
  410    H    HIS  58           H        HIS  58  47.864  -6.138 -14.604
  411    HA   HIS  58           HA       HIS  58  49.194  -8.702 -14.008
  412   1HB   HIS  58          1HB       HIS  58  49.722  -5.978 -12.808
  413   2HB   HIS  58          2HB       HIS  58  50.416  -7.475 -12.196
  414    HD2  HIS  58           HD2      HIS  58  50.980  -8.491 -15.469
  415    HE1  HIS  58           HE1      HIS  58  53.808  -5.341 -15.241
  416    HE2  HIS  58           HE2      HIS  58  53.163  -7.476 -16.406
  417    H    GLY  59           H        GLY  59  46.589  -6.639 -13.199
  418   1HA   GLY  59          1HA       GLY  59  44.718  -7.220 -11.971
  419   2HA   GLY  59          2HA       GLY  59  45.541  -8.690 -11.477
  420    H    LEU  60           H        LEU  60  44.813  -8.446  -9.357
  421    HA   LEU  60           HA       LEU  60  45.431  -6.070  -7.842
  422   1HB   LEU  60          1HB       LEU  60  44.332  -8.746  -6.969
  423   2HB   LEU  60          2HB       LEU  60  44.446  -7.321  -5.954
  424    HG   LEU  60           HG       LEU  60  42.754  -7.527  -8.447
  425   1HD1  LEU  60          1HD1      LEU  60  40.859  -7.586  -6.901
  426   2HD1  LEU  60          2HD1      LEU  60  41.974  -7.634  -5.536
  427   3HD1  LEU  60          3HD1      LEU  60  41.919  -8.977  -6.675
  428   1HD2  LEU  60          1HD2      LEU  60  42.906  -5.400  -6.314
  429   2HD2  LEU  60          2HD2      LEU  60  41.790  -5.423  -7.679
  430   3HD2  LEU  60          3HD2      LEU  60  43.524  -5.258  -7.958
  431    H    ILE  61           H        ILE  61  47.275  -5.705  -6.842
  432    HA   ILE  61           HA       ILE  61  49.222  -7.856  -6.580
  433    HB   ILE  61           HB       ILE  61  49.473  -4.879  -6.120
  434   1HG1  ILE  61          1HG1      ILE  61  49.215  -5.449  -8.469
  435   2HG1  ILE  61          2HG1      ILE  61  50.879  -4.962  -8.160
  436   1HG2  ILE  61          1HG2      ILE  61  51.599  -7.013  -6.021
  437   2HG2  ILE  61          2HG2      ILE  61  51.000  -6.067  -4.659
  438   3HG2  ILE  61          3HG2      ILE  61  51.889  -5.274  -5.959
  439   1HD1  ILE  61          1HD1      ILE  61  50.790  -6.865  -9.654
  440   2HD1  ILE  61          2HD1      ILE  61  49.885  -7.788  -8.456
  441   3HD1  ILE  61          3HD1      ILE  61  51.551  -7.313  -8.128
  442    H    SER  62           H        SER  62  49.643  -8.844  -4.731
  443    HA   SER  62           HA       SER  62  48.026  -8.404  -2.446
  444   1HB   SER  62          1HB       SER  62  50.507 -10.118  -2.664
  445   2HB   SER  62          2HB       SER  62  49.180 -10.301  -1.515
  446    HG   SER  62           HG       SER  62  47.923 -10.404  -3.697
  447    H    LYS  63           H        LYS  63  48.842  -8.086  -0.257
  448    HA   LYS  63           HA       LYS  63  49.946  -5.615   0.111
  449   1HB   LYS  63          1HB       LYS  63  48.701  -7.071   1.775
  450   2HB   LYS  63          2HB       LYS  63  50.241  -7.849   2.110
  451   1HG   LYS  63          1HG       LYS  63  49.925  -6.227   3.790
  452   2HG   LYS  63          2HG       LYS  63  51.142  -5.574   2.692
  453   1HD   LYS  63          1HD       LYS  63  49.388  -4.250   1.574
  454   2HD   LYS  63          2HD       LYS  63  48.206  -4.875   2.725
  455   1HE   LYS  63          1HE       LYS  63  49.546  -3.889   4.560
  456   2HE   LYS  63          2HE       LYS  63  50.618  -3.182   3.352
  457   1HZ   LYS  63          1HZ       LYS  63  48.567  -2.081   2.427
  458   2HZ   LYS  63          2HZ       LYS  63  49.094  -1.514   3.933
  459   3HZ   LYS  63          3HZ       LYS  63  47.763  -2.557   3.845
  460    H    LYS  64           H        LYS  64  51.707  -8.709   0.502
  461    HA   LYS  64           HA       LYS  64  54.166  -7.244   0.999
  462   1HB   LYS  64          1HB       LYS  64  53.478  -9.331   2.255
  463   2HB   LYS  64          2HB       LYS  64  53.823 -10.236   0.788
  464   1HG   LYS  64          1HG       LYS  64  56.144  -9.514   0.867
  465   2HG   LYS  64          2HG       LYS  64  55.808  -8.557   2.310
  466   1HD   LYS  64          1HD       LYS  64  55.222 -10.595   3.526
  467   2HD   LYS  64          2HD       LYS  64  55.539 -11.555   2.079
  468   1HE   LYS  64          1HE       LYS  64  57.870 -10.826   2.106
  469   2HE   LYS  64          2HE       LYS  64  57.555  -9.850   3.539
  470   1HZ   LYS  64          1HZ       LYS  64  58.591 -11.977   4.079
  471   2HZ   LYS  64          2HZ       LYS  64  57.277 -12.806   3.388
  472   3HZ   LYS  64          3HZ       LYS  64  57.046 -11.847   4.770
  473    H    ARG  65           H        ARG  65  52.606  -7.785  -1.730
  474    HA   ARG  65           HA       ARG  65  55.019  -8.462  -3.264
  475   1HB   ARG  65          1HB       ARG  65  53.082  -9.853  -3.784
  476   2HB   ARG  65          2HB       ARG  65  52.114  -8.426  -4.116
  477   1HG   ARG  65          1HG       ARG  65  53.288  -7.959  -6.102
  478   2HG   ARG  65          2HG       ARG  65  54.593  -9.072  -5.683
  479   1HD   ARG  65          1HD       ARG  65  51.775 -10.031  -6.073
  480   2HD   ARG  65          2HD       ARG  65  52.875  -9.827  -7.436
  481    HE   ARG  65           HE       ARG  65  54.285 -11.514  -6.504
  482   1HH1  ARG  65          1HH1      ARG  65  51.165 -11.204  -4.935
  483   2HH1  ARG  65          2HH1      ARG  65  51.219 -12.786  -4.223
  484   1HH2  ARG  65          1HH2      ARG  65  54.363 -13.592  -5.576
  485   2HH2  ARG  65          2HH2      ARG  65  53.057 -14.126  -4.551
  486    H    VAL  66           H        VAL  66  53.256  -5.870  -2.160
  487    HA   VAL  66           HA       VAL  66  53.653  -4.076  -4.366
  488    HB   VAL  66           HB       VAL  66  53.184  -3.414  -1.447
  489   1HG1  VAL  66          1HG1      VAL  66  54.103  -1.537  -2.683
  490   2HG1  VAL  66          2HG1      VAL  66  52.405  -1.245  -2.305
  491   3HG1  VAL  66          3HG1      VAL  66  52.874  -1.734  -3.933
  492   1HG2  VAL  66          1HG2      VAL  66  51.211  -3.690  -3.707
  493   2HG2  VAL  66          2HG2      VAL  66  50.839  -3.091  -2.092
  494   3HG2  VAL  66          3HG2      VAL  66  51.362  -4.762  -2.315
  495    H    GLU  67           H        GLU  67  55.432  -2.874  -4.818
  496    HA   GLU  67           HA       GLU  67  57.760  -3.274  -3.119
  497   1HB   GLU  67          1HB       GLU  67  57.904  -3.527  -5.617
  498   2HB   GLU  67          2HB       GLU  67  57.611  -1.796  -5.749
  499   1HG   GLU  67          1HG       GLU  67  59.979  -2.303  -5.919
  500   2HG   GLU  67          2HG       GLU  67  59.636  -1.341  -4.482
  501    H    PHE  68           H        PHE  68  57.877  -1.960  -1.447
  502    HA   PHE  68           HA       PHE  68  56.928   0.791  -1.683
  503   1HB   PHE  68          1HB       PHE  68  57.731  -0.867   0.716
  504   2HB   PHE  68          2HB       PHE  68  57.288   0.833   0.807
  505    HD1  PHE  68           HD1      PHE  68  56.095  -2.552   0.680
  506    HD2  PHE  68           HD2      PHE  68  54.969   1.517   0.143
  507    HE1  PHE  68           HE1      PHE  68  53.726  -3.178   0.921
  508    HE2  PHE  68           HE2      PHE  68  52.601   0.898   0.381
  509    HZ   PHE  68           HZ       PHE  68  51.977  -1.451   0.772
  510    H    VAL  69           H        VAL  69  58.455   2.035  -2.597
  511    HA   VAL  69           HA       VAL  69  61.173   1.895  -1.462
  512    HB   VAL  69           HB       VAL  69  61.932   3.133  -3.462
  513   1HG1  VAL  69          1HG1      VAL  69  60.425   0.592  -4.072
  514   2HG1  VAL  69          2HG1      VAL  69  62.067   0.706  -3.437
  515   3HG1  VAL  69          3HG1      VAL  69  61.707   1.289  -5.063
  516   1HG2  VAL  69          1HG2      VAL  69  59.867   4.299  -4.012
  517   2HG2  VAL  69          2HG2      VAL  69  59.092   2.767  -4.418
  518   3HG2  VAL  69          3HG2      VAL  69  60.435   3.363  -5.395
  519    H    LEU  70           H        LEU  70  62.263   4.213  -1.644
  520    HA   LEU  70           HA       LEU  70  60.782   5.917   0.088
  521   1HB   LEU  70          1HB       LEU  70  63.334   6.418  -1.447
  522   2HB   LEU  70          2HB       LEU  70  62.673   7.504  -0.241
  523    HG   LEU  70           HG       LEU  70  63.632   4.686   0.266
  524   1HD1  LEU  70          1HD1      LEU  70  65.451   6.245  -0.180
  525   2HD1  LEU  70          2HD1      LEU  70  65.426   5.770   1.518
  526   3HD1  LEU  70          3HD1      LEU  70  64.813   7.351   1.034
  527   1HD2  LEU  70          1HD2      LEU  70  61.773   5.298   1.727
  528   2HD2  LEU  70          2HD2      LEU  70  62.615   6.779   2.186
  529   3HD2  LEU  70          3HD2      LEU  70  63.288   5.209   2.625
  530    H    ALA  71           H        ALA  71  59.302   7.381  -0.419
  531    HA   ALA  71           HA       ALA  71  58.899   8.122  -3.198
  532   1HB   ALA  71          1HB       ALA  71  56.835   9.160  -2.415
  533   2HB   ALA  71          2HB       ALA  71  57.301   8.848  -0.743
  534   3HB   ALA  71          3HB       ALA  71  56.963   7.501  -1.830
  Start of MODEL   18
    1    H    MET   1           H        MET   1  68.271  -6.472  12.053
    2    HA   MET   1           HA       MET   1  67.386  -8.299  10.818
    3   1HB   MET   1          1HB       MET   1  65.869  -8.854  13.375
    4   2HB   MET   1          2HB       MET   1  65.452  -9.567  11.824
    5   1HG   MET   1          1HG       MET   1  66.712 -11.155  13.068
    6   2HG   MET   1          2HG       MET   1  67.713 -10.580  11.737
    7   1HE   MET   1          1HE       MET   1  66.897  -8.794  15.180
    8   2HE   MET   1          2HE       MET   1  68.267  -9.330  16.152
    9   3HE   MET   1          3HE       MET   1  67.068 -10.498  15.600
   10    H    GLU   2           H        GLU   2  65.608  -6.354  13.164
   11    HA   GLU   2           HA       GLU   2  63.638  -5.555  11.220
   12   1HB   GLU   2          1HB       GLU   2  62.940  -3.954  13.078
   13   2HB   GLU   2          2HB       GLU   2  62.789  -5.669  13.415
   14   1HG   GLU   2          1HG       GLU   2  65.137  -4.019  14.306
   15   2HG   GLU   2          2HG       GLU   2  63.693  -4.258  15.287
   16    H    LEU   3           H        LEU   3  63.330  -3.326  10.565
   17    HA   LEU   3           HA       LEU   3  65.817  -2.394   9.520
   18   1HB   LEU   3          1HB       LEU   3  62.989  -1.410   9.210
   19   2HB   LEU   3          2HB       LEU   3  64.354  -0.617   8.450
   20    HG   LEU   3           HG       LEU   3  64.846  -2.859   7.328
   21   1HD1  LEU   3          1HD1      LEU   3  63.458  -4.255   8.785
   22   2HD1  LEU   3          2HD1      LEU   3  62.984  -4.402   7.093
   23   3HD1  LEU   3          3HD1      LEU   3  62.016  -3.425   8.198
   24   1HD2  LEU   3          1HD2      LEU   3  63.199  -2.457   5.571
   25   2HD2  LEU   3          2HD2      LEU   3  63.904  -0.947   6.148
   26   3HD2  LEU   3          3HD2      LEU   3  62.285  -1.416   6.663
   27    H    HIS   4           H        HIS   4  66.944  -0.599   9.934
   28    HA   HIS   4           HA       HIS   4  65.951   1.189  12.056
   29   1HB   HIS   4          1HB       HIS   4  68.856   0.765  11.315
   30   2HB   HIS   4          2HB       HIS   4  68.231   1.690  12.670
   31    HD1  HIS   4           HD1      HIS   4  70.179  -0.963  12.564
   32    HD2  HIS   4           HD2      HIS   4  66.262  -0.648  13.938
   33    HE1  HIS   4           HE1      HIS   4  69.866  -2.875  14.167
   34    HE2  HIS   4           HE2      HIS   4  67.480  -2.703  14.951
   35    H    CYS   5           H        CYS   5  66.744   3.477  11.770
   36    HA   CYS   5           HA       CYS   5  66.115   4.313   9.101
   37   1HB   CYS   5          1HB       CYS   5  67.232   6.042  11.308
   38   2HB   CYS   5          2HB       CYS   5  66.293   6.557   9.916
   39    HA   PRO   6           HA       PRO   6  70.426   4.476   7.789
   40   1HB   PRO   6          1HB       PRO   6  69.940   4.755   5.165
   41   2HB   PRO   6          2HB       PRO   6  69.683   3.213   5.991
   42   1HG   PRO   6          1HG       PRO   6  67.693   5.251   5.115
   43   2HG   PRO   6          2HG       PRO   6  67.563   3.485   5.129
   44   1HD   PRO   6          1HD       PRO   6  66.502   5.220   7.047
   45   2HD   PRO   6          2HD       PRO   6  66.738   3.475   7.247
   46    H    GLN   7           H        GLN   7  68.848   6.776   8.781
   47    HA   GLN   7           HA       GLN   7  70.323   8.941   7.568
   48   1HB   GLN   7          1HB       GLN   7  68.367   8.808   6.090
   49   2HB   GLN   7          2HB       GLN   7  67.294   8.839   7.480
   50   1HG   GLN   7          1HG       GLN   7  68.379  11.120   7.985
   51   2HG   GLN   7          2HG       GLN   7  68.924  11.048   6.310
   52   1HE2  GLN   7          1HE2      GLN   7  67.402  11.136   4.646
   53   2HE2  GLN   7          2HE2      GLN   7  65.775  11.659   4.924
   54    H    CYS   8           H        CYS   8  67.288   8.784   9.355
   55    HA   CYS   8           HA       CYS   8  68.451  10.252  11.583
   56   1HB   CYS   8          1HB       CYS   8  66.054  10.319  12.366
   57   2HB   CYS   8          2HB       CYS   8  66.327  11.091  10.807
   58    H    GLN   9           H        GLN   9  69.749   8.219  11.800
   59    HA   GLN   9           HA       GLN   9  69.096   5.681  12.223
   60   1HB   GLN   9          1HB       GLN   9  71.057   7.259  13.886
   61   2HB   GLN   9          2HB       GLN   9  71.003   5.503  13.804
   62   1HG   GLN   9          1HG       GLN   9  71.451   5.605  11.403
   63   2HG   GLN   9          2HG       GLN   9  71.526   7.363  11.496
   64   1HE2  GLN   9          1HE2      GLN   9  73.544   5.446  10.655
   65   2HE2  GLN   9          2HE2      GLN   9  74.923   5.707  11.671
   66    H    HIS  10           H        HIS  10  67.350   4.990  13.141
   67    HA   HIS  10           HA       HIS  10  67.178   4.659  15.939
   68   1HB   HIS  10          1HB       HIS  10  65.424   6.731  14.667
   69   2HB   HIS  10          2HB       HIS  10  64.719   5.685  15.893
   70    HD1  HIS  10           HD1      HIS  10  66.239   8.875  15.620
   71    HD2  HIS  10           HD2      HIS  10  66.567   5.737  18.335
   72    HE1  HIS  10           HE1      HIS  10  67.153   9.890  17.725
   73    HE2  HIS  10           HE2      HIS  10  67.518   7.945  19.284
   74    H    VAL  11           H        VAL  11  64.486   3.907  16.118
   75    HA   VAL  11           HA       VAL  11  64.564   1.526  14.486
   76    HB   VAL  11           HB       VAL  11  63.973   1.377  16.862
   77   1HG1  VAL  11          1HG1      VAL  11  61.827   2.177  17.690
   78   2HG1  VAL  11          2HG1      VAL  11  61.483   2.903  16.120
   79   3HG1  VAL  11          3HG1      VAL  11  62.819   3.510  17.097
   80   1HG2  VAL  11          1HG2      VAL  11  61.970  -0.044  16.644
   81   2HG2  VAL  11          2HG2      VAL  11  63.172  -0.371  15.396
   82   3HG2  VAL  11          3HG2      VAL  11  61.734   0.572  15.007
   83    H    LEU  12           H        LEU  12  63.020   0.858  12.988
   84    HA   LEU  12           HA       LEU  12  61.138   2.920  12.051
   85   1HB   LEU  12          1HB       LEU  12  62.835   0.967  10.534
   86   2HB   LEU  12          2HB       LEU  12  61.365   1.611   9.827
   87    HG   LEU  12           HG       LEU  12  63.712   3.262  10.765
   88   1HD1  LEU  12          1HD1      LEU  12  64.101   3.657   8.381
   89   2HD1  LEU  12          2HD1      LEU  12  62.800   2.535   7.983
   90   3HD1  LEU  12          3HD1      LEU  12  64.255   1.948   8.786
   91   1HD2  LEU  12          1HD2      LEU  12  61.595   4.437  10.965
   92   2HD2  LEU  12          2HD2      LEU  12  61.192   4.023   9.299
   93   3HD2  LEU  12          3HD2      LEU  12  62.552   5.097   9.634
   94    H    ASP  13           H        ASP  13  59.093   2.384  12.377
   95    HA   ASP  13           HA       ASP  13  58.401  -0.475  12.441
   96   1HB   ASP  13          1HB       ASP  13  57.105   1.871  13.827
   97   2HB   ASP  13          2HB       ASP  13  56.369   0.275  13.737
   98    H    GLN  14           H        GLN  14  58.296  -0.386  10.113
   99    HA   GLN  14           HA       GLN  14  56.004   0.950   8.959
  100   1HB   GLN  14          1HB       GLN  14  56.655  -0.193   6.865
  101   2HB   GLN  14          2HB       GLN  14  57.965   0.742   7.559
  102   1HG   GLN  14          1HG       GLN  14  57.697  -2.234   7.910
  103   2HG   GLN  14          2HG       GLN  14  58.594  -1.486   6.592
  104   1HE2  GLN  14          1HE2      GLN  14  58.560  -2.258   9.958
  105   2HE2  GLN  14          2HE2      GLN  14  60.169  -1.724  10.321
  106    H    ASP  15           H        ASP  15  54.026   0.105   8.733
  107    HA   ASP  15           HA       ASP  15  53.668  -2.613   9.750
  108   1HB   ASP  15          1HB       ASP  15  51.263  -1.972  10.022
  109   2HB   ASP  15          2HB       ASP  15  52.383  -1.039  11.000
  110    H    ASN  16           H        ASN  16  52.798  -0.562   7.014
  111    HA   ASN  16           HA       ASN  16  52.801  -2.876   5.307
  112   1HB   ASN  16          1HB       ASN  16  50.489  -2.928   6.220
  113   2HB   ASN  16          2HB       ASN  16  50.223  -1.311   5.579
  114   1HD2  ASN  16          1HD2      ASN  16  50.687  -4.668   4.791
  115   2HD2  ASN  16          2HD2      ASN  16  50.119  -4.565   3.162
  116    H    GLY  17           H        GLY  17  51.232   0.322   5.076
  117   1HA   GLY  17          1HA       GLY  17  52.809   0.751   2.628
  118   2HA   GLY  17          2HA       GLY  17  51.249   1.480   2.964
  119    H    HIS  18           H        HIS  18  52.747   1.758   5.811
  120    HA   HIS  18           HA       HIS  18  54.290   4.134   5.090
  121   1HB   HIS  18          1HB       HIS  18  53.220   5.446   6.916
  122   2HB   HIS  18          2HB       HIS  18  52.116   5.051   5.607
  123    HD1  HIS  18           HD1      HIS  18  49.969   3.970   6.247
  124    HD2  HIS  18           HD2      HIS  18  52.797   3.798   9.295
  125    HE1  HIS  18           HE1      HIS  18  48.769   3.015   8.239
  126    HE2  HIS  18           HE2      HIS  18  50.569   2.675   9.963
  127    H    ALA  19           H        ALA  19  55.953   4.657   6.487
  128    HA   ALA  19           HA       ALA  19  56.550   2.601   8.497
  129   1HB   ALA  19          1HB       ALA  19  58.869   3.325   8.321
  130   2HB   ALA  19          2HB       ALA  19  58.394   4.591   7.194
  131   3HB   ALA  19          3HB       ALA  19  58.223   2.900   6.736
  132    H    ARG  20           H        ARG  20  56.451   3.078  10.581
  133    HA   ARG  20           HA       ARG  20  55.991   5.839  11.393
  134   1HB   ARG  20          1HB       ARG  20  55.925   3.271  12.996
  135   2HB   ARG  20          2HB       ARG  20  55.446   4.856  13.588
  136   1HG   ARG  20          1HG       ARG  20  53.567   4.925  12.145
  137   2HG   ARG  20          2HG       ARG  20  54.128   3.514  11.246
  138   1HD   ARG  20          1HD       ARG  20  52.315   2.921  12.753
  139   2HD   ARG  20          2HD       ARG  20  53.812   2.120  13.224
  140    HE   ARG  20           HE       ARG  20  53.995   3.947  14.946
  141   1HH1  ARG  20          1HH1      ARG  20  50.908   2.943  13.647
  142   2HH1  ARG  20          2HH1      ARG  20  50.016   3.384  15.077
  143   1HH2  ARG  20          1HH2      ARG  20  52.848   4.497  16.841
  144   2HH2  ARG  20          2HH2      ARG  20  51.123   4.238  16.910
  145    H    CYS  21           H        CYS  21  57.664   7.054  11.942
  146    HA   CYS  21           HA       CYS  21  60.200   5.745  12.562
  147   1HB   CYS  21          1HB       CYS  21  59.566   7.841  10.913
  148   2HB   CYS  21          2HB       CYS  21  60.110   8.685  12.357
  149    H    ARG  22           H        ARG  22  59.882   5.141  14.721
  150    HA   ARG  22           HA       ARG  22  58.872   6.955  16.673
  151   1HB   ARG  22          1HB       ARG  22  60.203   4.272  16.826
  152   2HB   ARG  22          2HB       ARG  22  59.913   5.206  18.288
  153   1HG   ARG  22          1HG       ARG  22  57.498   5.309  17.647
  154   2HG   ARG  22          2HG       ARG  22  57.864   4.184  16.337
  155   1HD   ARG  22          1HD       ARG  22  58.497   3.607  19.220
  156   2HD   ARG  22          2HD       ARG  22  56.963   3.173  18.470
  157    HE   ARG  22           HE       ARG  22  58.627   2.002  16.787
  158   1HH1  ARG  22          1HH1      ARG  22  58.899   2.153  20.282
  159   2HH1  ARG  22          2HH1      ARG  22  59.522   0.533  20.417
  160   1HH2  ARG  22          1HH2      ARG  22  59.413  -0.096  16.956
  161   2HH2  ARG  22          2HH2      ARG  22  59.826  -0.752  18.517
  162    H    SER  23           H        SER  23  59.987   7.825  18.471
  163    HA   SER  23           HA       SER  23  61.556   9.118  19.452
  164   1HB   SER  23          1HB       SER  23  63.521   7.529  17.787
  165   2HB   SER  23          2HB       SER  23  63.956   8.646  19.081
  166    HG   SER  23           HG       SER  23  62.978   7.324  20.560
  167    H    CYS  24           H        CYS  24  62.194   8.686  15.994
  168    HA   CYS  24           HA       CYS  24  63.221  11.275  15.535
  169   1HB   CYS  24          1HB       CYS  24  61.740   9.556  13.541
  170   2HB   CYS  24          2HB       CYS  24  62.993  10.752  13.212
  171    H    GLY  25           H        GLY  25  59.960   9.898  15.290
  172   1HA   GLY  25          1HA       GLY  25  58.002  11.029  15.918
  173   2HA   GLY  25          2HA       GLY  25  58.873  12.551  15.828
  174    H    GLU  26           H        GLU  26  59.668  10.996  13.093
  175    HA   GLU  26           HA       GLU  26  57.657  12.475  11.576
  176   1HB   GLU  26          1HB       GLU  26  60.278  11.252  10.695
  177   2HB   GLU  26          2HB       GLU  26  59.178  12.138   9.649
  178   1HG   GLU  26          1HG       GLU  26  60.712  13.208  12.000
  179   2HG   GLU  26          2HG       GLU  26  60.956  13.588  10.296
  180    H    PHE  27           H        PHE  27  57.187  11.409   9.372
  181    HA   PHE  27           HA       PHE  27  56.749   8.522   9.696
  182   1HB   PHE  27          1HB       PHE  27  54.787  10.551   8.593
  183   2HB   PHE  27          2HB       PHE  27  54.585   8.808   8.464
  184    HD1  PHE  27           HD1      PHE  27  54.236   7.455  10.516
  185    HD2  PHE  27           HD2      PHE  27  54.257  11.713  10.580
  186    HE1  PHE  27           HE1      PHE  27  53.104   7.424  12.704
  187    HE2  PHE  27           HE2      PHE  27  53.136  11.690  12.768
  188    HZ   PHE  27           HZ       PHE  27  52.555   9.544  13.833
  189    H    ILE  28           H        ILE  28  57.189   7.307   7.899
  190    HA   ILE  28           HA       ILE  28  58.108   8.811   5.536
  191    HB   ILE  28           HB       ILE  28  59.077   6.098   6.459
  192   1HG1  ILE  28          1HG1      ILE  28  60.494   8.772   6.507
  193   2HG1  ILE  28          2HG1      ILE  28  59.834   7.957   7.920
  194   1HG2  ILE  28          1HG2      ILE  28  60.024   7.870   4.211
  195   2HG2  ILE  28          2HG2      ILE  28  59.122   6.366   4.035
  196   3HG2  ILE  28          3HG2      ILE  28  60.756   6.342   4.699
  197   1HD1  ILE  28          1HD1      ILE  28  62.230   7.639   7.772
  198   2HD1  ILE  28          2HD1      ILE  28  62.056   6.936   6.164
  199   3HD1  ILE  28          3HD1      ILE  28  61.388   6.102   7.567
  200    H    GLU  29           H        GLU  29  56.523   8.720   4.083
  201    HA   GLU  29           HA       GLU  29  54.713   6.535   3.843
  202   1HB   GLU  29          1HB       GLU  29  55.291   8.794   1.916
  203   2HB   GLU  29          2HB       GLU  29  53.960   7.659   1.767
  204   1HG   GLU  29          1HG       GLU  29  53.002   9.570   2.679
  205   2HG   GLU  29          2HG       GLU  29  53.214   8.488   4.052
  206    H    MET  30           H        MET  30  54.505   5.117   2.031
  207    HA   MET  30           HA       MET  30  57.004   4.714   0.534
  208   1HB   MET  30          1HB       MET  30  55.162   2.636   1.717
  209   2HB   MET  30          2HB       MET  30  56.373   2.260   0.499
  210   1HG   MET  30          1HG       MET  30  58.131   3.032   1.997
  211   2HG   MET  30          2HG       MET  30  56.921   3.432   3.215
  212   1HE   MET  30          1HE       MET  30  58.481   1.978   4.868
  213   2HE   MET  30          2HE       MET  30  59.540   1.473   3.550
  214   3HE   MET  30          3HE       MET  30  58.827   0.266   4.621
  215    H    LYS  31           H        LYS  31  56.842   4.217  -1.597
  216    HA   LYS  31           HA       LYS  31  54.274   4.730  -2.847
  217   1HB   LYS  31          1HB       LYS  31  57.103   4.672  -3.743
  218   2HB   LYS  31          2HB       LYS  31  55.883   4.251  -4.938
  219   1HG   LYS  31          1HG       LYS  31  54.798   6.372  -4.665
  220   2HG   LYS  31          2HG       LYS  31  55.860   6.790  -3.319
  221   1HD   LYS  31          1HD       LYS  31  57.023   6.127  -5.992
  222   2HD   LYS  31          2HD       LYS  31  56.348   7.730  -5.694
  223   1HE   LYS  31          1HE       LYS  31  58.397   6.462  -3.897
  224   2HE   LYS  31          2HE       LYS  31  58.830   7.462  -5.284
  225   1HZ   LYS  31          1HZ       LYS  31  58.774   8.755  -3.239
  226   2HZ   LYS  31          2HZ       LYS  31  57.144   8.333  -2.993
  227   3HZ   LYS  31          3HZ       LYS  31  57.579   9.286  -4.324
  228    H    ALA  32           H        ALA  32  52.997   3.244  -3.702
  229    HA   ALA  32           HA       ALA  32  53.777   0.448  -3.406
  230   1HB   ALA  32          1HB       ALA  32  51.416  -0.051  -3.707
  231   2HB   ALA  32          2HB       ALA  32  51.089   1.640  -4.084
  232   3HB   ALA  32          3HB       ALA  32  51.627   1.185  -2.467
  233    H    LEU  33           H        LEU  33  54.955  -0.203  -5.105
  234    HA   LEU  33           HA       LEU  33  53.962   0.428  -7.805
  235   1HB   LEU  33          1HB       LEU  33  56.718  -0.453  -6.941
  236   2HB   LEU  33          2HB       LEU  33  56.239  -0.060  -8.580
  237    HG   LEU  33           HG       LEU  33  56.304   1.892  -6.274
  238   1HD1  LEU  33          1HD1      LEU  33  58.174   1.571  -8.619
  239   2HD1  LEU  33          2HD1      LEU  33  58.542   1.189  -6.935
  240   3HD1  LEU  33          3HD1      LEU  33  58.232   2.859  -7.415
  241   1HD2  LEU  33          1HD2      LEU  33  55.957   3.585  -8.009
  242   2HD2  LEU  33          2HD2      LEU  33  54.607   2.451  -7.926
  243   3HD2  LEU  33          3HD2      LEU  33  55.800   2.311  -9.217
  244    H    CYS  34           H        CYS  34  53.926  -1.225  -9.375
  245    HA   CYS  34           HA       CYS  34  53.621  -3.927  -8.298
  246   1HB   CYS  34          1HB       CYS  34  51.857  -3.013  -9.777
  247   2HB   CYS  34          2HB       CYS  34  53.044  -2.819 -11.060
  248    HA   PRO  35           HA       PRO  35  57.945  -4.334  -9.213
  249   1HB   PRO  35          1HB       PRO  35  58.091  -7.060  -8.811
  250   2HB   PRO  35          2HB       PRO  35  58.175  -5.837  -7.540
  251   1HG   PRO  35          1HG       PRO  35  55.839  -7.472  -8.447
  252   2HG   PRO  35          2HG       PRO  35  56.334  -7.038  -6.799
  253   1HD   PRO  35          1HD       PRO  35  54.325  -5.763  -8.019
  254   2HD   PRO  35          2HD       PRO  35  55.462  -4.890  -6.969
  255    H    ASP  36           H        ASP  36  55.526  -6.249 -10.872
  256    HA   ASP  36           HA       ASP  36  57.386  -7.416 -12.709
  257   1HB   ASP  36          1HB       ASP  36  55.376  -8.226 -13.912
  258   2HB   ASP  36          2HB       ASP  36  55.362  -8.628 -12.200
  259    H    CYS  37           H        CYS  37  55.934  -4.368 -12.514
  260    HA   CYS  37           HA       CYS  37  56.817  -3.807 -15.252
  261   1HB   CYS  37          1HB       CYS  37  54.778  -2.235 -15.405
  262   2HB   CYS  37          2HB       CYS  37  54.534  -3.961 -15.645
  263    H    HIS  38           H        HIS  38  56.948  -2.974 -12.028
  264    HA   HIS  38           HA       HIS  38  57.700  -1.228 -10.813
  265   1HB   HIS  38          1HB       HIS  38  59.645  -1.655 -12.410
  266   2HB   HIS  38          2HB       HIS  38  59.067  -0.268 -13.325
  267    HD1  HIS  38           HD1      HIS  38  59.836  -0.879  -9.616
  268    HD2  HIS  38           HD2      HIS  38  60.461   1.921 -12.642
  269    HE1  HIS  38           HE1      HIS  38  61.188   0.965  -8.576
  270    HE2  HIS  38           HE2      HIS  38  61.400   2.726 -10.364
  271    H    GLN  39           H        GLN  39  55.214  -0.990 -12.369
  272    HA   GLN  39           HA       GLN  39  54.996   1.925 -12.642
  273   1HB   GLN  39          1HB       GLN  39  53.141  -0.288 -13.567
  274   2HB   GLN  39          2HB       GLN  39  52.840   1.429 -13.786
  275   1HG   GLN  39          1HG       GLN  39  55.205  -0.045 -14.922
  276   2HG   GLN  39          2HG       GLN  39  53.716   0.291 -15.803
  277   1HE2  GLN  39          1HE2      GLN  39  53.312   2.903 -14.700
  278   2HE2  GLN  39          2HE2      GLN  39  54.515   3.946 -15.389
  279    HA   PRO  40           HA       PRO  40  52.935   2.295  -8.812
  280   1HB   PRO  40          1HB       PRO  40  51.005   4.157 -10.043
  281   2HB   PRO  40          2HB       PRO  40  52.182   4.443  -8.757
  282   1HG   PRO  40          1HG       PRO  40  52.540   5.440 -11.207
  283   2HG   PRO  40          2HG       PRO  40  53.904   4.847 -10.241
  284   1HD   PRO  40          1HD       PRO  40  52.462   3.507 -12.502
  285   2HD   PRO  40          2HD       PRO  40  54.205   3.578 -12.164
  286    H    LEU  41           H        LEU  41  51.271   1.500  -7.653
  287    HA   LEU  41           HA       LEU  41  49.241  -0.001  -9.075
  288   1HB   LEU  41          1HB       LEU  41  49.928   0.246  -6.151
  289   2HB   LEU  41          2HB       LEU  41  48.588  -0.715  -6.747
  290    HG   LEU  41           HG       LEU  41  51.481  -1.171  -7.492
  291   1HD1  LEU  41          1HD1      LEU  41  51.078  -1.634  -5.128
  292   2HD1  LEU  41          2HD1      LEU  41  51.348  -3.120  -6.038
  293   3HD1  LEU  41          3HD1      LEU  41  49.714  -2.664  -5.560
  294   1HD2  LEU  41          1HD2      LEU  41  48.982  -2.779  -7.999
  295   2HD2  LEU  41          2HD2      LEU  41  50.626  -3.299  -8.369
  296   3HD2  LEU  41          3HD2      LEU  41  49.932  -1.911  -9.206
  297    H    GLN  42           H        GLN  42  47.092   0.385  -9.045
  298    HA   GLN  42           HA       GLN  42  46.252   3.054  -8.251
  299   1HB   GLN  42          1HB       GLN  42  45.624   2.181 -10.476
  300   2HB   GLN  42          2HB       GLN  42  44.756   0.860  -9.708
  301   1HG   GLN  42          1HG       GLN  42  43.185   2.404  -8.728
  302   2HG   GLN  42          2HG       GLN  42  44.092   3.773  -9.372
  303   1HE2  GLN  42          1HE2      GLN  42  42.357   4.539 -10.541
  304   2HE2  GLN  42          2HE2      GLN  42  41.779   3.751 -11.975
  305    H    VAL  43           H        VAL  43  45.697   3.270  -6.190
  306    HA   VAL  43           HA       VAL  43  44.844   1.047  -4.595
  307    HB   VAL  43           HB       VAL  43  44.852   3.981  -3.867
  308   1HG1  VAL  43          1HG1      VAL  43  44.952   3.158  -1.556
  309   2HG1  VAL  43          2HG1      VAL  43  44.809   1.504  -2.146
  310   3HG1  VAL  43          3HG1      VAL  43  43.480   2.640  -2.375
  311   1HG2  VAL  43          1HG2      VAL  43  47.070   3.236  -4.579
  312   2HG2  VAL  43          2HG2      VAL  43  46.991   1.899  -3.431
  313   3HG2  VAL  43          3HG2      VAL  43  47.030   3.563  -2.847
  314    H    LEU  44           H        LEU  44  42.898   0.271  -5.219
  315    HA   LEU  44           HA       LEU  44  40.627   2.003  -5.650
  316   1HB   LEU  44          1HB       LEU  44  40.682  -0.994  -5.274
  317   2HB   LEU  44          2HB       LEU  44  39.372  -0.045  -5.952
  318    HG   LEU  44           HG       LEU  44  42.095  -0.397  -7.210
  319   1HD1  LEU  44          1HD1      LEU  44  40.794  -2.457  -7.231
  320   2HD1  LEU  44          2HD1      LEU  44  40.925  -1.774  -8.852
  321   3HD1  LEU  44          3HD1      LEU  44  39.427  -1.597  -7.936
  322   1HD2  LEU  44          1HD2      LEU  44  41.077   1.750  -7.762
  323   2HD2  LEU  44          2HD2      LEU  44  39.594   0.931  -8.250
  324   3HD2  LEU  44          3HD2      LEU  44  41.082   0.675  -9.161
  325    H    LYS  45           H        LYS  45  40.091   3.095  -3.827
  326    HA   LYS  45           HA       LYS  45  39.949   1.570  -1.314
  327   1HB   LYS  45          1HB       LYS  45  41.598   3.360  -1.264
  328   2HB   LYS  45          2HB       LYS  45  40.386   4.527  -1.770
  329   1HG   LYS  45          1HG       LYS  45  39.176   4.190   0.320
  330   2HG   LYS  45          2HG       LYS  45  40.380   3.003   0.828
  331   1HD   LYS  45          1HD       LYS  45  42.084   4.651   0.949
  332   2HD   LYS  45          2HD       LYS  45  41.082   5.844   0.120
  333   1HE   LYS  45          1HE       LYS  45  40.493   4.671   2.839
  334   2HE   LYS  45          2HE       LYS  45  41.238   6.245   2.554
  335   1HZ   LYS  45          1HZ       LYS  45  38.516   5.414   1.696
  336   2HZ   LYS  45          2HZ       LYS  45  39.234   6.909   1.343
  337   3HZ   LYS  45          3HZ       LYS  45  38.884   6.497   2.948
  338    H    ALA  46           H        ALA  46  37.902   0.879  -1.184
  339    HA   ALA  46           HA       ALA  46  35.789   2.928  -1.299
  340   1HB   ALA  46          1HB       ALA  46  34.222   1.119  -1.822
  341   2HB   ALA  46          2HB       ALA  46  35.547  -0.045  -1.784
  342   3HB   ALA  46          3HB       ALA  46  35.510   1.211  -3.022
  343    H    CYS  47           H        CYS  47  33.798   1.825   0.080
  344    HA   CYS  47           HA       CYS  47  34.729   1.807   2.777
  345   1HB   CYS  47          1HB       CYS  47  32.014   1.220   1.588
  346   2HB   CYS  47          2HB       CYS  47  32.330   1.277   3.319
  347    HG   CYS  47           HG       CYS  47  31.836   3.775   1.167
  348    H    GLY  48           H        GLY  48  35.877   0.137   3.507
  349   1HA   GLY  48          1HA       GLY  48  36.004  -2.019   4.433
  350   2HA   GLY  48          2HA       GLY  48  34.666  -2.514   3.409
  351    H    ALA  49           H        ALA  49  35.666  -1.700   0.915
  352    HA   ALA  49           HA       ALA  49  37.600  -3.866   0.556
  353   1HB   ALA  49          1HB       ALA  49  35.804  -2.526  -1.462
  354   2HB   ALA  49          2HB       ALA  49  35.492  -4.063  -0.652
  355   3HB   ALA  49          3HB       ALA  49  36.853  -3.911  -1.762
  356    H    VAL  50           H        VAL  50  39.647  -3.335   0.302
  357    HA   VAL  50           HA       VAL  50  40.312  -0.943  -1.285
  358    HB   VAL  50           HB       VAL  50  41.871  -1.998   1.089
  359   1HG1  VAL  50          1HG1      VAL  50  43.313  -0.041   0.750
  360   2HG1  VAL  50          2HG1      VAL  50  42.416   0.357  -0.715
  361   3HG1  VAL  50          3HG1      VAL  50  43.353  -1.136  -0.632
  362   1HG2  VAL  50          1HG2      VAL  50  39.861  -0.801   1.768
  363   2HG2  VAL  50          2HG2      VAL  50  40.320   0.566   0.753
  364   3HG2  VAL  50          3HG2      VAL  50  41.308   0.132   2.149
  365    H    ASP  51           H        ASP  51  41.274  -1.517  -3.129
  366    HA   ASP  51           HA       ASP  51  42.730  -4.084  -3.179
  367   1HB   ASP  51          1HB       ASP  51  41.022  -2.853  -5.347
  368   2HB   ASP  51          2HB       ASP  51  42.021  -4.288  -5.559
  369    H    TYR  52           H        TYR  52  44.775  -4.031  -3.833
  370    HA   TYR  52           HA       TYR  52  45.845  -1.625  -5.068
  371   1HB   TYR  52          1HB       TYR  52  47.187  -4.213  -4.248
  372   2HB   TYR  52          2HB       TYR  52  48.025  -2.824  -4.927
  373    HD1  TYR  52           HD1      TYR  52  47.969  -0.637  -3.632
  374    HD2  TYR  52           HD2      TYR  52  46.759  -4.348  -1.939
  375    HE1  TYR  52           HE1      TYR  52  48.252   0.308  -1.380
  376    HE2  TYR  52           HE2      TYR  52  47.037  -3.413   0.319
  377    HH   TYR  52           HH       TYR  52  48.343  -1.574   1.409
  378    H    PHE  53           H        PHE  53  45.212  -1.475  -7.140
  379    HA   PHE  53           HA       PHE  53  45.228  -3.897  -8.795
  380   1HB   PHE  53          1HB       PHE  53  43.114  -2.699  -8.749
  381   2HB   PHE  53          2HB       PHE  53  43.916  -1.202  -9.207
  382    HD1  PHE  53           HD1      PHE  53  43.943  -0.572 -11.417
  383    HD2  PHE  53           HD2      PHE  53  43.363  -4.675 -10.446
  384    HE1  PHE  53           HE1      PHE  53  43.533  -1.070 -13.786
  385    HE2  PHE  53           HE2      PHE  53  42.953  -5.178 -12.818
  386    HZ   PHE  53           HZ       PHE  53  43.037  -3.376 -14.491
  387    H    CYS  54           H        CYS  54  46.604  -4.161 -10.458
  388    HA   CYS  54           HA       CYS  54  48.729  -2.272 -10.840
  389   1HB   CYS  54          1HB       CYS  54  49.193  -4.648 -11.059
  390   2HB   CYS  54          2HB       CYS  54  47.999  -4.796 -12.342
  391    H    GLN  55           H        GLN  55  47.883  -0.374 -11.609
  392    HA   GLN  55           HA       GLN  55  46.070  -0.261 -13.808
  393   1HB   GLN  55          1HB       GLN  55  46.227   1.516 -12.076
  394   2HB   GLN  55          2HB       GLN  55  47.828   1.927 -12.676
  395   1HG   GLN  55          1HG       GLN  55  46.850   2.512 -14.847
  396   2HG   GLN  55          2HG       GLN  55  45.250   2.134 -14.214
  397   1HE2  GLN  55          1HE2      GLN  55  47.734   3.677 -12.311
  398   2HE2  GLN  55          2HE2      GLN  55  46.974   5.226 -12.216
  399    H    HIS  56           H        HIS  56  46.860  -1.286 -15.534
  400    HA   HIS  56           HA       HIS  56  48.402  -0.103 -17.447
  401   1HB   HIS  56          1HB       HIS  56  50.282  -0.408 -15.741
  402   2HB   HIS  56          2HB       HIS  56  50.108  -2.139 -15.991
  403    HD1  HIS  56           HD1      HIS  56  49.583  -1.015 -19.247
  404    HD2  HIS  56           HD2      HIS  56  52.954  -1.112 -16.804
  405    HE1  HIS  56           HE1      HIS  56  51.554  -0.917 -20.800
  406    HE2  HIS  56           HE2      HIS  56  53.577  -0.844 -19.306
  407    H    GLY  57           H        GLY  57  47.711  -3.143 -15.804
  408   1HA   GLY  57          1HA       GLY  57  46.017  -4.472 -17.135
  409   2HA   GLY  57          2HA       GLY  57  47.191  -4.367 -18.436
  410    H    HIS  58           H        HIS  58  47.013  -5.375 -15.025
  411    HA   HIS  58           HA       HIS  58  48.273  -7.908 -15.800
  412   1HB   HIS  58          1HB       HIS  58  49.181  -6.072 -13.594
  413   2HB   HIS  58          2HB       HIS  58  49.420  -7.809 -13.456
  414    HD2  HIS  58           HD2      HIS  58  50.392  -8.294 -16.594
  415    HE1  HIS  58           HE1      HIS  58  53.509  -5.625 -15.537
  416    HE2  HIS  58           HE2      HIS  58  52.775  -7.436 -17.118
  417    H    GLY  59           H        GLY  59  46.754  -6.162 -13.106
  418   1HA   GLY  59          1HA       GLY  59  44.454  -7.328 -12.675
  419   2HA   GLY  59          2HA       GLY  59  45.521  -8.650 -12.211
  420    H    LEU  60           H        LEU  60  44.691  -8.541 -10.072
  421    HA   LEU  60           HA       LEU  60  45.295  -6.125  -8.562
  422   1HB   LEU  60          1HB       LEU  60  43.886  -8.682  -7.804
  423   2HB   LEU  60          2HB       LEU  60  44.245  -7.410  -6.657
  424    HG   LEU  60           HG       LEU  60  42.876  -5.863  -8.157
  425   1HD1  LEU  60          1HD1      LEU  60  41.209  -6.926  -9.586
  426   2HD1  LEU  60          2HD1      LEU  60  41.940  -8.502  -9.282
  427   3HD1  LEU  60          3HD1      LEU  60  42.844  -7.264 -10.154
  428   1HD2  LEU  60          1HD2      LEU  60  41.519  -8.163  -6.759
  429   2HD2  LEU  60          2HD2      LEU  60  40.755  -6.635  -7.196
  430   3HD2  LEU  60          3HD2      LEU  60  42.067  -6.658  -6.019
  431    H    ILE  61           H        ILE  61  46.785  -6.018  -6.929
  432    HA   ILE  61           HA       ILE  61  48.723  -8.237  -6.846
  433    HB   ILE  61           HB       ILE  61  49.169  -5.276  -6.424
  434   1HG1  ILE  61          1HG1      ILE  61  48.938  -5.958  -8.778
  435   2HG1  ILE  61          2HG1      ILE  61  50.578  -5.433  -8.418
  436   1HG2  ILE  61          1HG2      ILE  61  51.532  -5.804  -6.137
  437   2HG2  ILE  61          2HG2      ILE  61  51.168  -7.527  -6.246
  438   3HG2  ILE  61          3HG2      ILE  61  50.554  -6.580  -4.891
  439   1HD1  ILE  61          1HD1      ILE  61  49.652  -8.291  -8.627
  440   2HD1  ILE  61          2HD1      ILE  61  51.299  -7.756  -8.290
  441   3HD1  ILE  61          3HD1      ILE  61  50.557  -7.397  -9.849
  442    H    SER  62           H        SER  62  48.853  -9.301  -5.000
  443    HA   SER  62           HA       SER  62  47.553  -8.530  -2.621
  444   1HB   SER  62          1HB       SER  62  49.849 -10.481  -2.872
  445   2HB   SER  62          2HB       SER  62  48.573 -10.473  -1.651
  446    HG   SER  62           HG       SER  62  47.080 -10.820  -3.451
  447    H    LYS  63           H        LYS  63  48.382  -7.636  -0.724
  448    HA   LYS  63           HA       LYS  63  50.174  -5.547  -1.117
  449   1HB   LYS  63          1HB       LYS  63  50.118  -5.389   1.446
  450   2HB   LYS  63          2HB       LYS  63  48.620  -5.179   0.553
  451   1HG   LYS  63          1HG       LYS  63  48.083  -7.564   1.027
  452   2HG   LYS  63          2HG       LYS  63  49.509  -7.623   2.066
  453   1HD   LYS  63          1HD       LYS  63  48.604  -5.984   3.536
  454   2HD   LYS  63          2HD       LYS  63  47.291  -5.617   2.416
  455   1HE   LYS  63          1HE       LYS  63  46.447  -7.922   2.722
  456   2HE   LYS  63          2HE       LYS  63  47.708  -8.189   3.927
  457   1HZ   LYS  63          1HZ       LYS  63  45.501  -7.563   4.855
  458   2HZ   LYS  63          2HZ       LYS  63  45.675  -6.038   4.128
  459   3HZ   LYS  63          3HZ       LYS  63  46.769  -6.534   5.323
  460    H    LYS  64           H        LYS  64  50.848  -8.799   0.014
  461    HA   LYS  64           HA       LYS  64  53.454  -8.181   1.006
  462   1HB   LYS  64          1HB       LYS  64  52.083 -10.721   0.215
  463   2HB   LYS  64          2HB       LYS  64  53.809 -10.715   0.540
  464   1HG   LYS  64          1HG       LYS  64  53.203  -9.636   2.776
  465   2HG   LYS  64          2HG       LYS  64  51.549 -10.148   2.418
  466   1HD   LYS  64          1HD       LYS  64  52.235 -12.444   2.261
  467   2HD   LYS  64          2HD       LYS  64  53.932 -11.994   2.414
  468   1HE   LYS  64          1HE       LYS  64  53.343 -11.063   4.689
  469   2HE   LYS  64          2HE       LYS  64  51.777 -11.857   4.511
  470   1HZ   LYS  64          1HZ       LYS  64  53.345 -13.240   5.729
  471   2HZ   LYS  64          2HZ       LYS  64  54.421 -13.208   4.424
  472   3HZ   LYS  64          3HZ       LYS  64  52.917 -13.977   4.265
  473    H    ARG  65           H        ARG  65  52.184  -8.469  -2.146
  474    HA   ARG  65           HA       ARG  65  54.795  -9.161  -3.292
  475   1HB   ARG  65          1HB       ARG  65  52.179  -8.822  -4.752
  476   2HB   ARG  65          2HB       ARG  65  53.641  -9.595  -5.344
  477   1HG   ARG  65          1HG       ARG  65  53.358 -11.381  -3.695
  478   2HG   ARG  65          2HG       ARG  65  51.877 -10.608  -3.123
  479   1HD   ARG  65          1HD       ARG  65  51.090 -10.761  -5.554
  480   2HD   ARG  65          2HD       ARG  65  52.423 -11.891  -5.780
  481    HE   ARG  65           HE       ARG  65  50.919 -12.694  -3.546
  482   1HH1  ARG  65          1HH1      ARG  65  50.713 -12.544  -7.051
  483   2HH1  ARG  65          2HH1      ARG  65  49.507 -13.792  -7.151
  484   1HH2  ARG  65          1HH2      ARG  65  49.322 -14.321  -3.691
  485   2HH2  ARG  65          2HH2      ARG  65  48.715 -14.804  -5.250
  486    H    VAL  66           H        VAL  66  53.272  -6.457  -2.325
  487    HA   VAL  66           HA       VAL  66  53.564  -4.792  -4.633
  488    HB   VAL  66           HB       VAL  66  53.203  -4.014  -1.732
  489   1HG1  VAL  66          1HG1      VAL  66  52.485  -1.844  -2.609
  490   2HG1  VAL  66          2HG1      VAL  66  52.872  -2.376  -4.245
  491   3HG1  VAL  66          3HG1      VAL  66  54.155  -2.194  -3.048
  492   1HG2  VAL  66          1HG2      VAL  66  50.857  -3.658  -2.355
  493   2HG2  VAL  66          2HG2      VAL  66  51.345  -5.339  -2.567
  494   3HG2  VAL  66          3HG2      VAL  66  51.200  -4.281  -3.970
  495    H    GLU  67           H        GLU  67  55.232  -3.554  -5.239
  496    HA   GLU  67           HA       GLU  67  57.756  -3.821  -3.841
  497   1HB   GLU  67          1HB       GLU  67  57.701  -3.961  -6.288
  498   2HB   GLU  67          2HB       GLU  67  57.010  -2.349  -6.380
  499   1HG   GLU  67          1HG       GLU  67  59.027  -1.361  -5.582
  500   2HG   GLU  67          2HG       GLU  67  59.716  -2.943  -5.213
  501    H    PHE  68           H        PHE  68  57.845  -2.639  -2.032
  502    HA   PHE  68           HA       PHE  68  56.686   0.042  -2.010
  503   1HB   PHE  68          1HB       PHE  68  57.700  -1.754   0.191
  504   2HB   PHE  68          2HB       PHE  68  57.245  -0.077   0.464
  505    HD1  PHE  68           HD1      PHE  68  56.111  -3.434   0.286
  506    HD2  PHE  68           HD2      PHE  68  54.862   0.607  -0.170
  507    HE1  PHE  68           HE1      PHE  68  53.775  -4.124   0.624
  508    HE2  PHE  68           HE2      PHE  68  52.521  -0.076   0.159
  509    HZ   PHE  68           HZ       PHE  68  51.976  -2.445   0.563
  510    H    VAL  69           H        VAL  69  57.960   1.656  -2.581
  511    HA   VAL  69           HA       VAL  69  60.757   1.600  -1.644
  512    HB   VAL  69           HB       VAL  69  61.301   3.223  -3.417
  513   1HG1  VAL  69          1HG1      VAL  69  61.642   0.857  -3.851
  514   2HG1  VAL  69          2HG1      VAL  69  61.154   1.689  -5.328
  515   3HG1  VAL  69          3HG1      VAL  69  59.987   0.708  -4.441
  516   1HG2  VAL  69          1HG2      VAL  69  58.458   2.784  -4.337
  517   2HG2  VAL  69          2HG2      VAL  69  59.696   3.673  -5.223
  518   3HG2  VAL  69          3HG2      VAL  69  59.118   4.278  -3.670
  519    H    LEU  70           H        LEU  70  61.618   3.638  -0.869
  520    HA   LEU  70           HA       LEU  70  59.776   4.912   0.877
  521   1HB   LEU  70          1HB       LEU  70  62.606   5.693   0.169
  522   2HB   LEU  70          2HB       LEU  70  61.674   6.355   1.499
  523    HG   LEU  70           HG       LEU  70  62.607   3.495   1.222
  524   1HD1  LEU  70          1HD1      LEU  70  64.388   5.043   1.821
  525   2HD1  LEU  70          2HD1      LEU  70  63.967   4.013   3.188
  526   3HD1  LEU  70          3HD1      LEU  70  63.405   5.684   3.137
  527   1HD2  LEU  70          1HD2      LEU  70  61.675   3.185   3.470
  528   2HD2  LEU  70          2HD2      LEU  70  60.426   3.572   2.287
  529   3HD2  LEU  70          3HD2      LEU  70  60.996   4.810   3.405
  530    H    ALA  71           H        ALA  71  58.993   6.994   0.889
  531    HA   ALA  71           HA       ALA  71  58.156   8.091  -1.527
  532   1HB   ALA  71          1HB       ALA  71  57.025   8.473   0.605
  533   2HB   ALA  71          2HB       ALA  71  57.383   9.988  -0.224
  534   3HB   ALA  71          3HB       ALA  71  58.374   9.474   1.142
  Start of MODEL   19
    1    H    MET   1           H        MET   1  60.038  -9.979  13.109
    2    HA   MET   1           HA       MET   1  61.860  -8.727  14.039
    3   1HB   MET   1          1HB       MET   1  62.842  -8.750  11.178
    4   2HB   MET   1          2HB       MET   1  63.442  -7.634  12.394
    5   1HG   MET   1          1HG       MET   1  63.608 -10.630  12.585
    6   2HG   MET   1          2HG       MET   1  64.904  -9.581  12.013
    7   1HE   MET   1          1HE       MET   1  65.376 -11.661  14.323
    8   2HE   MET   1          2HE       MET   1  66.275 -10.683  15.484
    9   3HE   MET   1          3HE       MET   1  66.610 -10.532  13.760
   10    H    GLU   2           H        GLU   2  61.814  -6.414  14.050
   11    HA   GLU   2           HA       GLU   2  59.640  -5.295  12.435
   12   1HB   GLU   2          1HB       GLU   2  61.062  -4.205  14.874
   13   2HB   GLU   2          2HB       GLU   2  59.778  -3.366  14.008
   14   1HG   GLU   2          1HG       GLU   2  58.244  -5.200  14.508
   15   2HG   GLU   2          2HG       GLU   2  59.528  -6.036  15.377
   16    H    LEU   3           H        LEU   3  59.963  -3.205  11.409
   17    HA   LEU   3           HA       LEU   3  62.325  -3.355   9.819
   18   1HB   LEU   3          1HB       LEU   3  60.138  -1.278   9.852
   19   2HB   LEU   3          2HB       LEU   3  61.367  -1.441   8.612
   20    HG   LEU   3           HG       LEU   3  59.225  -3.470   9.251
   21   1HD1  LEU   3          1HD1      LEU   3  58.355  -1.484   8.142
   22   2HD1  LEU   3          2HD1      LEU   3  58.330  -2.877   7.060
   23   3HD1  LEU   3          3HD1      LEU   3  59.577  -1.642   6.879
   24   1HD2  LEU   3          1HD2      LEU   3  61.273  -4.552   8.512
   25   2HD2  LEU   3          2HD2      LEU   3  61.361  -3.473   7.119
   26   3HD2  LEU   3          3HD2      LEU   3  60.041  -4.635   7.251
   27    H    HIS   4           H        HIS   4  63.996  -1.908   9.616
   28    HA   HIS   4           HA       HIS   4  64.273   0.038  11.810
   29   1HB   HIS   4          1HB       HIS   4  66.449  -1.432  10.300
   30   2HB   HIS   4          2HB       HIS   4  66.720  -0.219  11.544
   31    HD1  HIS   4           HD1      HIS   4  65.893  -3.794  11.047
   32    HD2  HIS   4           HD2      HIS   4  66.093  -1.076  14.193
   33    HE1  HIS   4           HE1      HIS   4  65.833  -5.180  13.147
   34    HE2  HIS   4           HE2      HIS   4  65.821  -3.511  15.042
   35    H    CYS   5           H        CYS   5  65.469   2.006  11.262
   36    HA   CYS   5           HA       CYS   5  64.365   3.109   8.856
   37   1HB   CYS   5          1HB       CYS   5  66.291   4.470  10.732
   38   2HB   CYS   5          2HB       CYS   5  65.091   5.216   9.683
   39    HA   PRO   6           HA       PRO   6  68.014   2.996   6.272
   40   1HB   PRO   6          1HB       PRO   6  67.222   5.623   5.224
   41   2HB   PRO   6          2HB       PRO   6  67.331   4.073   4.384
   42   1HG   PRO   6          1HG       PRO   6  64.967   5.246   4.927
   43   2HG   PRO   6          2HG       PRO   6  65.168   3.483   4.921
   44   1HD   PRO   6          1HD       PRO   6  65.049   5.372   7.244
   45   2HD   PRO   6          2HD       PRO   6  64.318   3.762   7.061
   46    H    GLN   7           H        GLN   7  67.190   6.232   7.554
   47    HA   GLN   7           HA       GLN   7  70.051   6.805   7.795
   48   1HB   GLN   7          1HB       GLN   7  68.517   8.406   6.603
   49   2HB   GLN   7          2HB       GLN   7  67.749   8.726   8.152
   50   1HG   GLN   7          1HG       GLN   7  69.360  10.449   7.649
   51   2HG   GLN   7          2HG       GLN   7  69.889   9.510   9.046
   52   1HE2  GLN   7          1HE2      GLN   7  72.041  10.023   8.797
   53   2HE2  GLN   7          2HE2      GLN   7  73.004   9.420   7.491
   54    H    CYS   8           H        CYS   8  67.195   7.667   9.767
   55    HA   CYS   8           HA       CYS   8  68.841   7.655  12.148
   56   1HB   CYS   8          1HB       CYS   8  66.852   8.529  13.293
   57   2HB   CYS   8          2HB       CYS   8  67.202   9.461  11.842
   58    H    GLN   9           H        GLN   9  69.131   5.325  11.535
   59    HA   GLN   9           HA       GLN   9  67.338   3.293  11.666
   60   1HB   GLN   9          1HB       GLN   9  70.111   3.276  12.861
   61   2HB   GLN   9          2HB       GLN   9  69.184   1.858  12.395
   62   1HG   GLN   9          1HG       GLN   9  69.237   2.549  10.077
   63   2HG   GLN   9          2HG       GLN   9  70.092   4.026  10.519
   64   1HE2  GLN   9          1HE2      GLN   9  71.833   3.541   9.222
   65   2HE2  GLN   9          2HE2      GLN   9  72.975   2.306   9.619
   66    H    HIS  10           H        HIS  10  65.810   2.861  13.082
   67    HA   HIS  10           HA       HIS  10  66.558   2.033  15.707
   68   1HB   HIS  10          1HB       HIS  10  66.060   4.588  15.850
   69   2HB   HIS  10          2HB       HIS  10  64.376   4.104  15.671
   70    HD1  HIS  10           HD1      HIS  10  63.323   2.734  17.656
   71    HD2  HIS  10           HD2      HIS  10  67.204   4.058  18.325
   72    HE1  HIS  10           HE1      HIS  10  63.712   2.455  20.114
   73    HE2  HIS  10           HE2      HIS  10  66.121   3.088  20.469
   74    H    VAL  11           H        VAL  11  63.365   3.191  14.715
   75    HA   VAL  11           HA       VAL  11  62.514   0.465  14.102
   76    HB   VAL  11           HB       VAL  11  61.143   2.173  16.197
   77   1HG1  VAL  11          1HG1      VAL  11  60.342  -0.510  15.075
   78   2HG1  VAL  11          2HG1      VAL  11  59.506   1.020  14.813
   79   3HG1  VAL  11          3HG1      VAL  11  59.562   0.311  16.428
   80   1HG2  VAL  11          1HG2      VAL  11  62.536  -0.493  16.430
   81   2HG2  VAL  11          2HG2      VAL  11  61.615   0.294  17.712
   82   3HG2  VAL  11          3HG2      VAL  11  63.086   1.045  17.098
   83    H    LEU  12           H        LEU  12  61.210   0.428  12.392
   84    HA   LEU  12           HA       LEU  12  59.755   2.890  11.672
   85   1HB   LEU  12          1HB       LEU  12  60.883   0.682   9.974
   86   2HB   LEU  12          2HB       LEU  12  59.614   1.730   9.377
   87    HG   LEU  12           HG       LEU  12  62.359   2.615  10.265
   88   1HD1  LEU  12          1HD1      LEU  12  62.394   1.420   8.149
   89   2HD1  LEU  12          2HD1      LEU  12  62.674   3.142   7.892
   90   3HD1  LEU  12          3HD1      LEU  12  61.095   2.443   7.533
   91   1HD2  LEU  12          1HD2      LEU  12  60.081   4.196   9.077
   92   2HD2  LEU  12          2HD2      LEU  12  61.697   4.807   9.425
   93   3HD2  LEU  12          3HD2      LEU  12  60.647   4.294  10.746
   94    H    ASP  13           H        ASP  13  57.698   2.777  12.252
   95    HA   ASP  13           HA       ASP  13  56.350   0.198  12.356
   96   1HB   ASP  13          1HB       ASP  13  56.014   1.731  14.228
   97   2HB   ASP  13          2HB       ASP  13  55.414   2.969  13.129
   98    H    GLN  14           H        GLN  14  55.724  -0.499  10.414
   99    HA   GLN  14           HA       GLN  14  54.372   1.415   8.636
  100   1HB   GLN  14          1HB       GLN  14  56.471   0.605   7.679
  101   2HB   GLN  14          2HB       GLN  14  55.947  -1.058   7.898
  102   1HG   GLN  14          1HG       GLN  14  54.138  -0.717   6.313
  103   2HG   GLN  14          2HG       GLN  14  54.613   0.968   6.115
  104   1HE2  GLN  14          1HE2      GLN  14  57.458   0.337   6.208
  105   2HE2  GLN  14          2HE2      GLN  14  57.835  -0.367   4.680
  106    H    ASP  15           H        ASP  15  52.305   1.060   8.282
  107    HA   ASP  15           HA       ASP  15  51.246  -1.668   8.621
  108   1HB   ASP  15          1HB       ASP  15  50.562  -0.326  10.545
  109   2HB   ASP  15          2HB       ASP  15  49.943   0.928   9.475
  110    H    ASN  16           H        ASN  16  49.980   1.474   7.539
  111    HA   ASN  16           HA       ASN  16  48.868   0.151   5.182
  112   1HB   ASN  16          1HB       ASN  16  47.445   1.604   6.710
  113   2HB   ASN  16          2HB       ASN  16  48.361   2.984   6.115
  114   1HD2  ASN  16          1HD2      ASN  16  46.088   0.483   5.301
  115   2HD2  ASN  16          2HD2      ASN  16  45.506   1.216   3.841
  116    H    GLY  17           H        GLY  17  51.328   0.097   4.655
  117   1HA   GLY  17          1HA       GLY  17  52.794   0.660   2.959
  118   2HA   GLY  17          2HA       GLY  17  51.722   1.981   2.522
  119    H    HIS  18           H        HIS  18  51.704   3.322   5.001
  120    HA   HIS  18           HA       HIS  18  54.188   4.759   4.728
  121   1HB   HIS  18          1HB       HIS  18  51.821   5.218   6.558
  122   2HB   HIS  18          2HB       HIS  18  53.191   6.309   6.390
  123    HD1  HIS  18           HD1      HIS  18  49.866   5.930   5.234
  124    HD2  HIS  18           HD2      HIS  18  53.454   7.085   3.470
  125    HE1  HIS  18           HE1      HIS  18  49.224   7.218   3.162
  126    HE2  HIS  18           HE2      HIS  18  51.415   8.048   2.211
  127    H    ALA  19           H        ALA  19  55.829   4.906   6.162
  128    HA   ALA  19           HA       ALA  19  55.653   3.251   8.594
  129   1HB   ALA  19          1HB       ALA  19  57.273   2.330   7.030
  130   2HB   ALA  19          2HB       ALA  19  58.090   2.986   8.451
  131   3HB   ALA  19          3HB       ALA  19  58.093   3.888   6.937
  132    H    ARG  20           H        ARG  20  55.822   4.322  10.459
  133    HA   ARG  20           HA       ARG  20  57.131   6.954  10.387
  134   1HB   ARG  20          1HB       ARG  20  54.653   7.103  10.723
  135   2HB   ARG  20          2HB       ARG  20  54.847   6.187  12.213
  136   1HG   ARG  20          1HG       ARG  20  56.278   7.950  13.116
  137   2HG   ARG  20          2HG       ARG  20  56.091   8.866  11.621
  138   1HD   ARG  20          1HD       ARG  20  53.636   8.904  12.032
  139   2HD   ARG  20          2HD       ARG  20  53.936   8.152  13.599
  140    HE   ARG  20           HE       ARG  20  55.522  10.466  13.364
  141   1HH1  ARG  20          1HH1      ARG  20  52.186   9.515  13.757
  142   2HH1  ARG  20          2HH1      ARG  20  51.720  10.993  14.548
  143   1HH2  ARG  20          1HH2      ARG  20  54.927  12.409  14.384
  144   2HH2  ARG  20          2HH2      ARG  20  53.282  12.643  14.894
  145    H    CYS  21           H        CYS  21  58.642   7.342  11.847
  146    HA   CYS  21           HA       CYS  21  59.590   5.201  13.497
  147   1HB   CYS  21          1HB       CYS  21  60.483   8.079  13.411
  148   2HB   CYS  21          2HB       CYS  21  61.380   6.712  14.069
  149    H    ARG  22           H        ARG  22  58.314   4.732  15.165
  150    HA   ARG  22           HA       ARG  22  57.087   6.692  16.851
  151   1HB   ARG  22          1HB       ARG  22  56.532   4.680  18.249
  152   2HB   ARG  22          2HB       ARG  22  56.005   4.570  16.573
  153   1HG   ARG  22          1HG       ARG  22  58.286   3.344  16.235
  154   2HG   ARG  22          2HG       ARG  22  58.182   3.090  17.978
  155   1HD   ARG  22          1HD       ARG  22  56.051   2.323  15.989
  156   2HD   ARG  22          2HD       ARG  22  57.252   1.219  16.651
  157    HE   ARG  22           HE       ARG  22  56.152   2.034  18.887
  158   1HH1  ARG  22          1HH1      ARG  22  54.548   1.335  15.860
  159   2HH1  ARG  22          2HH1      ARG  22  53.102   0.740  16.611
  160   1HH2  ARG  22          1HH2      ARG  22  54.247   1.258  19.883
  161   2HH2  ARG  22          2HH2      ARG  22  52.927   0.702  18.896
  162    H    SER  23           H        SER  23  59.708   7.362  16.718
  163    HA   SER  23           HA       SER  23  60.581   7.463  19.384
  164   1HB   SER  23          1HB       SER  23  61.149   5.080  18.986
  165   2HB   SER  23          2HB       SER  23  62.181   5.561  17.640
  166    HG   SER  23           HG       SER  23  62.502   6.173  20.396
  167    H    CYS  24           H        CYS  24  62.021   7.241  16.110
  168    HA   CYS  24           HA       CYS  24  63.772   9.451  16.775
  169   1HB   CYS  24          1HB       CYS  24  64.537   8.829  14.273
  170   2HB   CYS  24          2HB       CYS  24  65.135   8.010  15.708
  171    H    GLY  25           H        GLY  25  60.713   9.383  15.638
  172   1HA   GLY  25          1HA       GLY  25  59.505  11.294  15.087
  173   2HA   GLY  25          2HA       GLY  25  61.015  12.131  14.789
  174    H    GLU  26           H        GLU  26  62.083  10.385  12.879
  175    HA   GLU  26           HA       GLU  26  61.310  11.353  10.477
  176   1HB   GLU  26          1HB       GLU  26  63.284  10.138  10.511
  177   2HB   GLU  26          2HB       GLU  26  62.556   8.778  11.340
  178   1HG   GLU  26          1HG       GLU  26  61.320   8.306   9.169
  179   2HG   GLU  26          2HG       GLU  26  62.410   9.476   8.422
  180    H    PHE  27           H        PHE  27  59.643  11.187   9.133
  181    HA   PHE  27           HA       PHE  27  57.825   8.895   9.398
  182   1HB   PHE  27          1HB       PHE  27  55.922  10.386   8.881
  183   2HB   PHE  27          2HB       PHE  27  56.724  10.846  10.375
  184    HD1  PHE  27           HD1      PHE  27  58.449  12.772  10.212
  185    HD2  PHE  27           HD2      PHE  27  55.507  11.960   7.245
  186    HE1  PHE  27           HE1      PHE  27  58.662  15.072   9.374
  187    HE2  PHE  27           HE2      PHE  27  55.723  14.260   6.398
  188    HZ   PHE  27           HZ       PHE  27  57.301  15.818   7.465
  189    H    ILE  28           H        ILE  28  57.779   7.729   7.604
  190    HA   ILE  28           HA       ILE  28  58.928   8.970   5.207
  191    HB   ILE  28           HB       ILE  28  58.687   6.022   5.805
  192   1HG1  ILE  28          1HG1      ILE  28  61.079   7.854   6.115
  193   2HG1  ILE  28          2HG1      ILE  28  60.146   7.172   7.444
  194   1HG2  ILE  28          1HG2      ILE  28  60.292   7.539   3.747
  195   2HG2  ILE  28          2HG2      ILE  28  58.855   6.567   3.432
  196   3HG2  ILE  28          3HG2      ILE  28  60.335   5.795   4.003
  197   1HD1  ILE  28          1HD1      ILE  28  61.759   5.622   5.433
  198   2HD1  ILE  28          2HD1      ILE  28  60.809   4.927   6.746
  199   3HD1  ILE  28          3HD1      ILE  28  62.203   5.945   7.109
  200    H    GLU  29           H        GLU  29  57.749   9.310   3.493
  201    HA   GLU  29           HA       GLU  29  55.153   8.033   3.176
  202   1HB   GLU  29          1HB       GLU  29  55.184  10.381   2.673
  203   2HB   GLU  29          2HB       GLU  29  56.600  10.206   1.651
  204   1HG   GLU  29          1HG       GLU  29  54.603  10.575   0.330
  205   2HG   GLU  29          2HG       GLU  29  55.288   8.986   0.009
  206    H    MET  30           H        MET  30  55.413   5.965   2.555
  207    HA   MET  30           HA       MET  30  57.337   5.381   0.428
  208   1HB   MET  30          1HB       MET  30  55.869   3.437   2.223
  209   2HB   MET  30          2HB       MET  30  57.144   3.044   1.077
  210   1HG   MET  30          1HG       MET  30  58.702   4.439   2.374
  211   2HG   MET  30          2HG       MET  30  57.425   4.735   3.549
  212   1HE   MET  30          1HE       MET  30  58.476   1.476   1.589
  213   2HE   MET  30          2HE       MET  30  59.460   0.658   2.804
  214   3HE   MET  30          3HE       MET  30  60.005   2.183   2.107
  215    H    LYS  31           H        LYS  31  56.659   4.989  -1.549
  216    HA   LYS  31           HA       LYS  31  53.788   5.176  -2.005
  217   1HB   LYS  31          1HB       LYS  31  56.024   5.322  -4.030
  218   2HB   LYS  31          2HB       LYS  31  54.351   5.817  -4.258
  219   1HG   LYS  31          1HG       LYS  31  54.740   7.511  -2.423
  220   2HG   LYS  31          2HG       LYS  31  56.457   7.123  -2.563
  221   1HD   LYS  31          1HD       LYS  31  56.063   9.039  -3.915
  222   2HD   LYS  31          2HD       LYS  31  56.278   7.670  -5.010
  223   1HE   LYS  31          1HE       LYS  31  54.409   9.065  -5.719
  224   2HE   LYS  31          2HE       LYS  31  53.850   7.466  -5.231
  225   1HZ   LYS  31          1HZ       LYS  31  53.786   9.868  -3.485
  226   2HZ   LYS  31          2HZ       LYS  31  53.111   8.350  -3.147
  227   3HZ   LYS  31          3HZ       LYS  31  52.462   9.312  -4.389
  228    H    ALA  32           H        ALA  32  52.574   3.584  -2.768
  229    HA   ALA  32           HA       ALA  32  53.721   0.958  -3.056
  230   1HB   ALA  32          1HB       ALA  32  51.414   0.202  -3.252
  231   2HB   ALA  32          2HB       ALA  32  50.860   1.876  -3.333
  232   3HB   ALA  32          3HB       ALA  32  51.616   1.265  -1.860
  233    H    LEU  33           H        LEU  33  54.746   0.564  -4.901
  234    HA   LEU  33           HA       LEU  33  53.354   1.194  -7.423
  235   1HB   LEU  33          1HB       LEU  33  56.318   0.811  -6.964
  236   2HB   LEU  33          2HB       LEU  33  55.560   1.135  -8.511
  237    HG   LEU  33           HG       LEU  33  55.665   3.021  -6.153
  238   1HD1  LEU  33          1HD1      LEU  33  57.805   2.795  -7.275
  239   2HD1  LEU  33          2HD1      LEU  33  57.090   4.368  -7.629
  240   3HD1  LEU  33          3HD1      LEU  33  57.039   3.084  -8.837
  241   1HD2  LEU  33          1HD2      LEU  33  54.486   3.406  -8.901
  242   2HD2  LEU  33          2HD2      LEU  33  54.662   4.657  -7.671
  243   3HD2  LEU  33          3HD2      LEU  33  53.586   3.289  -7.388
  244    H    CYS  34           H        CYS  34  53.951  -0.402  -9.191
  245    HA   CYS  34           HA       CYS  34  53.490  -3.064  -8.196
  246   1HB   CYS  34          1HB       CYS  34  52.480  -2.046 -10.310
  247   2HB   CYS  34          2HB       CYS  34  54.056  -2.279 -11.055
  248    HA   PRO  35           HA       PRO  35  57.759  -4.178  -7.761
  249   1HB   PRO  35          1HB       PRO  35  57.444  -6.897  -8.117
  250   2HB   PRO  35          2HB       PRO  35  57.164  -6.044  -6.597
  251   1HG   PRO  35          1HG       PRO  35  55.194  -6.912  -8.674
  252   2HG   PRO  35          2HG       PRO  35  55.066  -6.988  -6.905
  253   1HD   PRO  35          1HD       PRO  35  53.817  -5.078  -8.293
  254   2HD   PRO  35          2HD       PRO  35  54.562  -4.727  -6.719
  255    H    ASP  36           H        ASP  36  55.889  -5.568 -10.418
  256    HA   ASP  36           HA       ASP  36  58.217  -6.290 -11.923
  257   1HB   ASP  36          1HB       ASP  36  56.395  -6.692 -13.748
  258   2HB   ASP  36          2HB       ASP  36  56.467  -7.747 -12.343
  259    H    CYS  37           H        CYS  37  55.514  -4.356 -13.158
  260    HA   CYS  37           HA       CYS  37  57.191  -3.079 -15.055
  261   1HB   CYS  37          1HB       CYS  37  55.043  -1.685 -15.437
  262   2HB   CYS  37          2HB       CYS  37  55.014  -3.404 -15.799
  263    H    HIS  38           H        HIS  38  56.467  -2.348 -11.819
  264    HA   HIS  38           HA       HIS  38  56.968  -0.637 -10.439
  265   1HB   HIS  38          1HB       HIS  38  58.909  -0.177 -12.661
  266   2HB   HIS  38          2HB       HIS  38  58.762   1.027 -11.382
  267    HD1  HIS  38           HD1      HIS  38  60.542  -1.994 -12.197
  268    HD2  HIS  38           HD2      HIS  38  59.104  -0.241  -8.705
  269    HE1  HIS  38           HE1      HIS  38  61.804  -3.088 -10.312
  270    HE2  HIS  38           HE2      HIS  38  60.763  -2.168  -8.203
  271    H    GLN  39           H        GLN  39  54.970  -0.298 -12.779
  272    HA   GLN  39           HA       GLN  39  54.693   2.580 -12.819
  273   1HB   GLN  39          1HB       GLN  39  52.929   0.358 -13.866
  274   2HB   GLN  39          2HB       GLN  39  52.541   2.064 -14.020
  275   1HG   GLN  39          1HG       GLN  39  55.015   0.771 -15.146
  276   2HG   GLN  39          2HG       GLN  39  53.534   1.063 -16.054
  277   1HE2  GLN  39          1HE2      GLN  39  54.518   2.431 -17.522
  278   2HE2  GLN  39          2HE2      GLN  39  55.063   4.017 -17.092
  279    HA   PRO  40           HA       PRO  40  52.327   3.118  -9.144
  280   1HB   PRO  40          1HB       PRO  40  50.457   4.737 -10.791
  281   2HB   PRO  40          2HB       PRO  40  51.319   5.172  -9.311
  282   1HG   PRO  40          1HG       PRO  40  52.106   6.122 -11.670
  283   2HG   PRO  40          2HG       PRO  40  53.290   5.640 -10.439
  284   1HD   PRO  40          1HD       PRO  40  52.436   4.205 -12.917
  285   2HD   PRO  40          2HD       PRO  40  54.047   4.320 -12.180
  286    H    LEU  41           H        LEU  41  50.828   1.933  -8.175
  287    HA   LEU  41           HA       LEU  41  48.994   0.344  -9.752
  288   1HB   LEU  41          1HB       LEU  41  49.481   0.466  -6.772
  289   2HB   LEU  41          2HB       LEU  41  48.400  -0.665  -7.560
  290    HG   LEU  41           HG       LEU  41  51.383  -0.530  -7.982
  291   1HD1  LEU  41          1HD1      LEU  41  51.406  -2.674  -6.780
  292   2HD1  LEU  41          2HD1      LEU  41  49.683  -2.489  -6.444
  293   3HD1  LEU  41          3HD1      LEU  41  50.843  -1.344  -5.768
  294   1HD2  LEU  41          1HD2      LEU  41  51.085  -2.598  -9.223
  295   2HD2  LEU  41          2HD2      LEU  41  50.154  -1.292  -9.956
  296   3HD2  LEU  41          3HD2      LEU  41  49.343  -2.513  -8.977
  297    H    GLN  42           H        GLN  42  46.737   0.347  -9.504
  298    HA   GLN  42           HA       GLN  42  45.603   2.899  -8.738
  299   1HB   GLN  42          1HB       GLN  42  44.823   1.597 -10.746
  300   2HB   GLN  42          2HB       GLN  42  44.175   0.389  -9.645
  301   1HG   GLN  42          1HG       GLN  42  42.743   2.144  -8.642
  302   2HG   GLN  42          2HG       GLN  42  43.330   3.268  -9.866
  303   1HE2  GLN  42          1HE2      GLN  42  40.629   2.344  -9.346
  304   2HE2  GLN  42          2HE2      GLN  42  40.072   1.618 -10.821
  305    H    VAL  43           H        VAL  43  45.245   3.279  -6.655
  306    HA   VAL  43           HA       VAL  43  45.055   1.168  -4.729
  307    HB   VAL  43           HB       VAL  43  44.556   4.125  -4.338
  308   1HG1  VAL  43          1HG1      VAL  43  45.056   3.678  -1.986
  309   2HG1  VAL  43          2HG1      VAL  43  45.217   1.959  -2.346
  310   3HG1  VAL  43          3HG1      VAL  43  43.654   2.757  -2.533
  311   1HG2  VAL  43          1HG2      VAL  43  47.096   2.530  -4.001
  312   2HG2  VAL  43          2HG2      VAL  43  46.881   4.222  -3.553
  313   3HG2  VAL  43          3HG2      VAL  43  46.780   3.740  -5.246
  314    H    LEU  44           H        LEU  44  43.271  -0.012  -4.603
  315    HA   LEU  44           HA       LEU  44  40.674   1.195  -5.169
  316   1HB   LEU  44          1HB       LEU  44  41.311  -1.679  -4.501
  317   2HB   LEU  44          2HB       LEU  44  39.809  -1.063  -5.159
  318    HG   LEU  44           HG       LEU  44  42.464  -1.135  -6.594
  319   1HD1  LEU  44          1HD1      LEU  44  39.954  -2.756  -6.984
  320   2HD1  LEU  44          2HD1      LEU  44  41.473  -3.341  -6.304
  321   3HD1  LEU  44          3HD1      LEU  44  41.401  -2.827  -7.990
  322   1HD2  LEU  44          1HD2      LEU  44  41.133   0.773  -7.284
  323   2HD2  LEU  44          2HD2      LEU  44  39.737  -0.273  -7.542
  324   3HD2  LEU  44          3HD2      LEU  44  41.170  -0.447  -8.558
  325    H    LYS  45           H        LYS  45  40.503   2.490  -3.246
  326    HA   LYS  45           HA       LYS  45  40.244   0.932  -0.784
  327   1HB   LYS  45          1HB       LYS  45  41.659   2.993  -0.727
  328   2HB   LYS  45          2HB       LYS  45  40.213   3.943  -1.058
  329   1HG   LYS  45          1HG       LYS  45  39.200   3.140   1.009
  330   2HG   LYS  45          2HG       LYS  45  40.632   2.163   1.338
  331   1HD   LYS  45          1HD       LYS  45  41.980   4.248   1.380
  332   2HD   LYS  45          2HD       LYS  45  40.488   5.172   1.188
  333   1HE   LYS  45          1HE       LYS  45  39.630   4.183   3.268
  334   2HE   LYS  45          2HE       LYS  45  41.147   3.310   3.466
  335   1HZ   LYS  45          1HZ       LYS  45  40.776   6.257   3.488
  336   2HZ   LYS  45          2HZ       LYS  45  42.283   5.488   3.529
  337   3HZ   LYS  45          3HZ       LYS  45  41.188   5.275   4.809
  338    H    ALA  46           H        ALA  46  38.332   0.123  -0.473
  339    HA   ALA  46           HA       ALA  46  35.956   1.664  -1.258
  340   1HB   ALA  46          1HB       ALA  46  36.214  -1.258  -0.523
  341   2HB   ALA  46          2HB       ALA  46  36.099  -0.614  -2.160
  342   3HB   ALA  46          3HB       ALA  46  34.738  -0.450  -1.051
  343    H    CYS  47           H        CYS  47  34.111   0.594   0.479
  344    HA   CYS  47           HA       CYS  47  34.723   1.967   2.900
  345   1HB   CYS  47          1HB       CYS  47  32.470   0.938   3.604
  346   2HB   CYS  47          2HB       CYS  47  32.472   2.083   2.267
  347    HG   CYS  47           HG       CYS  47  30.714  -0.232   1.972
  348    H    GLY  48           H        GLY  48  36.421   1.016   3.923
  349   1HA   GLY  48          1HA       GLY  48  36.709  -0.391   5.903
  350   2HA   GLY  48          2HA       GLY  48  35.862  -1.664   5.036
  351    H    ALA  49           H        ALA  49  37.046  -1.942   2.702
  352    HA   ALA  49           HA       ALA  49  39.762  -2.731   3.510
  353   1HB   ALA  49          1HB       ALA  49  39.580  -4.542   1.904
  354   2HB   ALA  49          2HB       ALA  49  37.996  -3.957   1.397
  355   3HB   ALA  49          3HB       ALA  49  38.224  -4.577   3.032
  356    H    VAL  50           H        VAL  50  41.451  -2.701   1.964
  357    HA   VAL  50           HA       VAL  50  41.034  -0.952  -0.361
  358    HB   VAL  50           HB       VAL  50  41.999   0.447   1.392
  359   1HG1  VAL  50          1HG1      VAL  50  44.230  -1.581   1.490
  360   2HG1  VAL  50          2HG1      VAL  50  43.053  -1.255   2.762
  361   3HG1  VAL  50          3HG1      VAL  50  44.232  -0.022   2.313
  362   1HG2  VAL  50          1HG2      VAL  50  42.686   0.884  -0.898
  363   2HG2  VAL  50          2HG2      VAL  50  44.013  -0.266  -0.738
  364   3HG2  VAL  50          3HG2      VAL  50  44.012   1.218   0.216
  365    H    ASP  51           H        ASP  51  42.159  -1.555  -2.190
  366    HA   ASP  51           HA       ASP  51  43.995  -3.843  -1.913
  367   1HB   ASP  51          1HB       ASP  51  41.481  -4.155  -2.863
  368   2HB   ASP  51          2HB       ASP  51  42.321  -3.741  -4.356
  369    H    TYR  52           H        TYR  52  45.086  -4.211  -4.183
  370    HA   TYR  52           HA       TYR  52  45.841  -1.589  -5.299
  371   1HB   TYR  52          1HB       TYR  52  47.750  -3.821  -4.568
  372   2HB   TYR  52          2HB       TYR  52  48.193  -2.336  -5.400
  373    HD1  TYR  52           HD1      TYR  52  47.731  -3.920  -2.233
  374    HD2  TYR  52           HD2      TYR  52  47.823  -0.127  -4.158
  375    HE1  TYR  52           HE1      TYR  52  48.108  -2.834  -0.061
  376    HE2  TYR  52           HE2      TYR  52  48.198   0.971  -1.990
  377    HH   TYR  52           HH       TYR  52  47.820   0.518   0.391
  378    H    PHE  53           H        PHE  53  45.455  -1.556  -7.395
  379    HA   PHE  53           HA       PHE  53  45.361  -4.128  -8.834
  380   1HB   PHE  53          1HB       PHE  53  43.183  -3.013  -8.530
  381   2HB   PHE  53          2HB       PHE  53  43.804  -1.585  -9.345
  382    HD1  PHE  53           HD1      PHE  53  43.485  -5.251  -9.950
  383    HD2  PHE  53           HD2      PHE  53  43.244  -1.313 -11.541
  384    HE1  PHE  53           HE1      PHE  53  42.716  -6.172 -12.096
  385    HE2  PHE  53           HE2      PHE  53  42.481  -2.226 -13.694
  386    HZ   PHE  53           HZ       PHE  53  42.215  -4.660 -13.972
  387    H    CYS  54           H        CYS  54  46.833  -4.400 -10.379
  388    HA   CYS  54           HA       CYS  54  48.251  -2.094 -11.474
  389   1HB   CYS  54          1HB       CYS  54  49.616  -4.004 -10.778
  390   2HB   CYS  54          2HB       CYS  54  48.694  -5.074 -11.825
  391    H    GLN  55           H        GLN  55  46.606  -1.185 -12.760
  392    HA   GLN  55           HA       GLN  55  45.351  -2.783 -14.798
  393   1HB   GLN  55          1HB       GLN  55  44.192  -0.830 -13.787
  394   2HB   GLN  55          2HB       GLN  55  45.400   0.232 -14.500
  395   1HG   GLN  55          1HG       GLN  55  44.710  -0.440 -16.726
  396   2HG   GLN  55          2HG       GLN  55  43.538  -1.561 -16.037
  397   1HE2  GLN  55          1HE2      GLN  55  42.797   0.309 -13.898
  398   2HE2  GLN  55          2HE2      GLN  55  41.806   1.506 -14.657
  399    H    HIS  56           H        HIS  56  46.786  -3.604 -16.117
  400    HA   HIS  56           HA       HIS  56  48.048  -2.209 -18.183
  401   1HB   HIS  56          1HB       HIS  56  49.821  -2.859 -15.824
  402   2HB   HIS  56          2HB       HIS  56  50.467  -2.922 -17.457
  403    HD1  HIS  56           HD1      HIS  56  49.822  -0.470 -18.811
  404    HD2  HIS  56           HD2      HIS  56  50.350  -0.486 -14.680
  405    HE1  HIS  56           HE1      HIS  56  50.303   1.917 -18.169
  406    HE2  HIS  56           HE2      HIS  56  50.389   1.910 -15.648
  407    H    GLY  57           H        GLY  57  47.951  -4.948 -16.022
  408   1HA   GLY  57          1HA       GLY  57  47.055  -6.915 -17.464
  409   2HA   GLY  57          2HA       GLY  57  48.644  -6.773 -18.202
  410    H    HIS  58           H        HIS  58  47.743  -6.452 -14.773
  411    HA   HIS  58           HA       HIS  58  49.118  -8.983 -14.225
  412   1HB   HIS  58          1HB       HIS  58  49.724  -6.366 -12.831
  413   2HB   HIS  58          2HB       HIS  58  50.222  -7.941 -12.218
  414    HD2  HIS  58           HD2      HIS  58  51.554  -9.323 -14.721
  415    HE1  HIS  58           HE1      HIS  58  53.642  -5.703 -15.422
  416    HE2  HIS  58           HE2      HIS  58  53.572  -8.183 -15.861
  417    H    GLY  59           H        GLY  59  46.607  -6.783 -13.585
  418   1HA   GLY  59          1HA       GLY  59  44.664  -7.072 -12.387
  419   2HA   GLY  59          2HA       GLY  59  45.234  -8.675 -11.944
  420    H    LEU  60           H        LEU  60  44.657  -8.522  -9.792
  421    HA   LEU  60           HA       LEU  60  45.472  -6.319  -8.159
  422   1HB   LEU  60          1HB       LEU  60  44.487  -9.074  -7.404
  423   2HB   LEU  60          2HB       LEU  60  44.693  -7.738  -6.288
  424    HG   LEU  60           HG       LEU  60  42.791  -7.721  -8.631
  425   1HD1  LEU  60          1HD1      LEU  60  42.256  -8.161  -5.698
  426   2HD1  LEU  60          2HD1      LEU  60  42.090  -9.358  -6.983
  427   3HD1  LEU  60          3HD1      LEU  60  41.028  -7.950  -6.946
  428   1HD2  LEU  60          1HD2      LEU  60  43.558  -5.505  -7.992
  429   2HD2  LEU  60          2HD2      LEU  60  43.140  -5.828  -6.309
  430   3HD2  LEU  60          3HD2      LEU  60  41.871  -5.734  -7.531
  431    H    ILE  61           H        ILE  61  47.285  -6.084  -6.989
  432    HA   ILE  61           HA       ILE  61  49.405  -8.026  -7.509
  433    HB   ILE  61           HB       ILE  61  49.522  -5.223  -6.388
  434   1HG1  ILE  61          1HG1      ILE  61  48.988  -5.284  -8.761
  435   2HG1  ILE  61          2HG1      ILE  61  50.636  -4.709  -8.537
  436   1HG2  ILE  61          1HG2      ILE  61  51.306  -6.571  -5.432
  437   2HG2  ILE  61          2HG2      ILE  61  51.963  -5.420  -6.596
  438   3HG2  ILE  61          3HG2      ILE  61  51.778  -7.116  -7.041
  439   1HD1  ILE  61          1HD1      ILE  61  49.834  -7.492  -9.359
  440   2HD1  ILE  61          2HD1      ILE  61  51.486  -6.921  -9.130
  441   3HD1  ILE  61          3HD1      ILE  61  50.489  -6.240 -10.415
  442    H    SER  62           H        SER  62  50.145  -9.375  -6.033
  443    HA   SER  62           HA       SER  62  49.031  -9.731  -3.507
  444   1HB   SER  62          1HB       SER  62  50.406 -11.408  -4.797
  445   2HB   SER  62          2HB       SER  62  51.844 -10.510  -4.314
  446    HG   SER  62           HG       SER  62  49.998 -11.905  -2.671
  447    H    LYS  63           H        LYS  63  49.292  -8.720  -1.619
  448    HA   LYS  63           HA       LYS  63  50.742  -6.260  -1.634
  449   1HB   LYS  63          1HB       LYS  63  49.163  -7.592   0.569
  450   2HB   LYS  63          2HB       LYS  63  49.748  -5.931   0.597
  451   1HG   LYS  63          1HG       LYS  63  48.384  -5.395  -1.337
  452   2HG   LYS  63          2HG       LYS  63  47.836  -7.066  -1.431
  453   1HD   LYS  63          1HD       LYS  63  46.811  -6.834   0.793
  454   2HD   LYS  63          2HD       LYS  63  47.318  -5.142   0.832
  455   1HE   LYS  63          1HE       LYS  63  44.994  -5.315   0.141
  456   2HE   LYS  63          2HE       LYS  63  45.988  -4.705  -1.180
  457   1HZ   LYS  63          1HZ       LYS  63  44.752  -7.370  -0.882
  458   2HZ   LYS  63          2HZ       LYS  63  46.087  -7.150  -1.893
  459   3HZ   LYS  63          3HZ       LYS  63  44.657  -6.293  -2.193
  460    H    LYS  64           H        LYS  64  51.864  -9.277  -1.104
  461    HA   LYS  64           HA       LYS  64  53.842  -8.388   0.866
  462   1HB   LYS  64          1HB       LYS  64  53.270 -11.111  -0.309
  463   2HB   LYS  64          2HB       LYS  64  54.629 -10.777   0.753
  464   1HG   LYS  64          1HG       LYS  64  51.770 -10.290   1.546
  465   2HG   LYS  64          2HG       LYS  64  52.607 -11.814   1.830
  466   1HD   LYS  64          1HD       LYS  64  52.872 -10.682   3.845
  467   2HD   LYS  64          2HD       LYS  64  54.389 -10.361   3.007
  468   1HE   LYS  64          1HE       LYS  64  53.561  -8.173   2.322
  469   2HE   LYS  64          2HE       LYS  64  52.018  -8.495   3.110
  470   1HZ   LYS  64          1HZ       LYS  64  53.252  -8.700   5.227
  471   2HZ   LYS  64          2HZ       LYS  64  53.346  -7.150   4.542
  472   3HZ   LYS  64          3HZ       LYS  64  54.668  -8.207   4.425
  473    H    ARG  65           H        ARG  65  53.348  -8.387  -2.405
  474    HA   ARG  65           HA       ARG  65  56.229  -8.606  -3.000
  475   1HB   ARG  65          1HB       ARG  65  53.892  -8.916  -4.889
  476   2HB   ARG  65          2HB       ARG  65  55.590  -9.069  -5.318
  477   1HG   ARG  65          1HG       ARG  65  55.785 -11.010  -3.850
  478   2HG   ARG  65          2HG       ARG  65  54.075 -10.862  -3.432
  479   1HD   ARG  65          1HD       ARG  65  53.523 -11.122  -5.838
  480   2HD   ARG  65          2HD       ARG  65  55.232 -11.407  -6.161
  481    HE   ARG  65           HE       ARG  65  54.351 -13.197  -4.179
  482   1HH1  ARG  65          1HH1      ARG  65  54.146 -12.583  -7.617
  483   2HH1  ARG  65          2HH1      ARG  65  53.735 -14.227  -8.019
  484   1HH2  ARG  65          1HH2      ARG  65  53.831 -15.354  -4.689
  485   2HH2  ARG  65          2HH2      ARG  65  53.562 -15.814  -6.347
  486    H    VAL  66           H        VAL  66  53.707  -6.444  -2.652
  487    HA   VAL  66           HA       VAL  66  53.952  -4.669  -4.769
  488    HB   VAL  66           HB       VAL  66  52.131  -4.547  -3.147
  489   1HG1  VAL  66          1HG1      VAL  66  52.466  -3.548  -0.940
  490   2HG1  VAL  66          2HG1      VAL  66  54.204  -3.506  -1.231
  491   3HG1  VAL  66          3HG1      VAL  66  53.365  -5.054  -1.123
  492   1HG2  VAL  66          1HG2      VAL  66  52.022  -2.111  -2.877
  493   2HG2  VAL  66          2HG2      VAL  66  52.595  -2.565  -4.482
  494   3HG2  VAL  66          3HG2      VAL  66  53.738  -1.994  -3.266
  495    H    GLU  67           H        GLU  67  55.151  -2.813  -5.141
  496    HA   GLU  67           HA       GLU  67  57.786  -2.845  -3.887
  497   1HB   GLU  67          1HB       GLU  67  57.513  -2.900  -6.377
  498   2HB   GLU  67          2HB       GLU  67  56.814  -1.291  -6.292
  499   1HG   GLU  67          1HG       GLU  67  59.030  -0.944  -6.902
  500   2HG   GLU  67          2HG       GLU  67  58.985  -0.584  -5.177
  501    H    PHE  68           H        PHE  68  57.697  -1.689  -2.001
  502    HA   PHE  68           HA       PHE  68  56.436   0.938  -2.030
  503   1HB   PHE  68          1HB       PHE  68  57.689  -0.670   0.198
  504   2HB   PHE  68          2HB       PHE  68  57.146   0.992   0.401
  505    HD1  PHE  68           HD1      PHE  68  56.270  -2.184   1.138
  506    HD2  PHE  68           HD2      PHE  68  54.634   1.253  -0.766
  507    HE1  PHE  68           HE1      PHE  68  54.002  -2.985   1.645
  508    HE2  PHE  68           HE2      PHE  68  52.362   0.454  -0.263
  509    HZ   PHE  68           HZ       PHE  68  52.045  -1.668   0.944
  510    H    VAL  69           H        VAL  69  57.605   2.475  -2.933
  511    HA   VAL  69           HA       VAL  69  60.506   2.535  -2.476
  512    HB   VAL  69           HB       VAL  69  60.615   4.186  -4.289
  513   1HG1  VAL  69          1HG1      VAL  69  60.017   2.702  -6.142
  514   2HG1  VAL  69          2HG1      VAL  69  59.066   1.707  -5.039
  515   3HG1  VAL  69          3HG1      VAL  69  60.815   1.819  -4.840
  516   1HG2  VAL  69          1HG2      VAL  69  57.631   3.777  -4.505
  517   2HG2  VAL  69          2HG2      VAL  69  58.628   4.675  -5.651
  518   3HG2  VAL  69          3HG2      VAL  69  58.448   5.254  -3.994
  519    H    LEU  70           H        LEU  70  61.472   4.716  -2.110
  520    HA   LEU  70           HA       LEU  70  59.954   6.040  -0.001
  521   1HB   LEU  70          1HB       LEU  70  62.813   6.488  -0.864
  522   2HB   LEU  70          2HB       LEU  70  62.057   7.092   0.597
  523    HG   LEU  70           HG       LEU  70  62.615   4.191  -0.029
  524   1HD1  LEU  70          1HD1      LEU  70  64.243   4.357   1.783
  525   2HD1  LEU  70          2HD1      LEU  70  63.888   6.076   1.949
  526   3HD1  LEU  70          3HD1      LEU  70  64.630   5.467   0.469
  527   1HD2  LEU  70          1HD2      LEU  70  61.444   5.479   2.434
  528   2HD2  LEU  70          2HD2      LEU  70  61.912   3.785   2.288
  529   3HD2  LEU  70          3HD2      LEU  70  60.595   4.424   1.303
  530    H    ALA  71           H        ALA  71  58.945   7.915  -0.292
  531    HA   ALA  71           HA       ALA  71  59.227   9.341  -2.792
  532   1HB   ALA  71          1HB       ALA  71  57.426  10.758  -1.970
  533   2HB   ALA  71          2HB       ALA  71  57.540  10.001  -0.379
  534   3HB   ALA  71          3HB       ALA  71  57.017   9.054  -1.771
  Start of MODEL   20
    1    H    MET   1           H        MET   1  61.835  -8.503  12.510
    2    HA   MET   1           HA       MET   1  61.608  -9.016  10.240
    3   1HB   MET   1          1HB       MET   1  59.474  -9.343   9.156
    4   2HB   MET   1          2HB       MET   1  59.608 -10.468  10.496
    5   1HG   MET   1          1HG       MET   1  58.112  -7.865  10.652
    6   2HG   MET   1          2HG       MET   1  57.369  -9.398  10.208
    7   1HE   MET   1          1HE       MET   1  56.030  -8.738  13.840
    8   2HE   MET   1          2HE       MET   1  55.583  -9.064  12.166
    9   3HE   MET   1          3HE       MET   1  56.353  -7.535  12.592
   10    H    GLU   2           H        GLU   2  61.405  -6.721  12.233
   11    HA   GLU   2           HA       GLU   2  59.837  -4.705  10.934
   12   1HB   GLU   2          1HB       GLU   2  61.990  -4.330  13.027
   13   2HB   GLU   2          2HB       GLU   2  60.737  -3.180  12.591
   14   1HG   GLU   2          1HG       GLU   2  60.068  -4.128  14.632
   15   2HG   GLU   2          2HG       GLU   2  59.059  -4.883  13.400
   16    H    LEU   3           H        LEU   3  60.433  -3.412   9.331
   17    HA   LEU   3           HA       LEU   3  62.999  -3.680   8.113
   18   1HB   LEU   3          1HB       LEU   3  60.724  -1.766   7.579
   19   2HB   LEU   3          2HB       LEU   3  62.195  -1.810   6.630
   20    HG   LEU   3           HG       LEU   3  61.623  -4.249   6.128
   21   1HD1  LEU   3          1HD1      LEU   3  59.949  -4.587   7.866
   22   2HD1  LEU   3          2HD1      LEU   3  59.259  -4.851   6.264
   23   3HD1  LEU   3          3HD1      LEU   3  58.925  -3.352   7.132
   24   1HD2  LEU   3          1HD2      LEU   3  61.428  -2.453   4.497
   25   2HD2  LEU   3          2HD2      LEU   3  59.818  -2.064   5.103
   26   3HD2  LEU   3          3HD2      LEU   3  60.113  -3.615   4.317
   27    H    HIS   4           H        HIS   4  64.658  -2.163   7.990
   28    HA   HIS   4           HA       HIS   4  64.670  -0.305  10.256
   29   1HB   HIS   4          1HB       HIS   4  66.982  -1.459   8.682
   30   2HB   HIS   4          2HB       HIS   4  67.137  -0.342  10.036
   31    HD1  HIS   4           HD1      HIS   4  68.271  -3.322   9.935
   32    HD2  HIS   4           HD2      HIS   4  64.811  -2.044  11.861
   33    HE1  HIS   4           HE1      HIS   4  67.804  -5.040  11.712
   34    HE2  HIS   4           HE2      HIS   4  65.586  -4.360  12.703
   35    H    CYS   5           H        CYS   5  65.356   1.813  10.020
   36    HA   CYS   5           HA       CYS   5  64.554   2.978   7.517
   37   1HB   CYS   5          1HB       CYS   5  65.723   4.516   9.813
   38   2HB   CYS   5          2HB       CYS   5  64.472   5.006   8.675
   39    HA   PRO   6           HA       PRO   6  68.696   3.480   5.916
   40   1HB   PRO   6          1HB       PRO   6  67.648   5.595   4.196
   41   2HB   PRO   6          2HB       PRO   6  68.246   3.995   3.753
   42   1HG   PRO   6          1HG       PRO   6  65.633   4.677   3.571
   43   2HG   PRO   6          2HG       PRO   6  66.171   3.025   3.928
   44   1HD   PRO   6          1HD       PRO   6  65.156   5.136   5.799
   45   2HD   PRO   6          2HD       PRO   6  64.798   3.396   5.763
   46    H    GLN   7           H        GLN   7  67.054   5.655   7.780
   47    HA   GLN   7           HA       GLN   7  69.358   7.473   7.890
   48   1HB   GLN   7          1HB       GLN   7  66.490   8.379   8.214
   49   2HB   GLN   7          2HB       GLN   7  67.926   9.391   8.167
   50   1HG   GLN   7          1HG       GLN   7  68.279   8.828   5.838
   51   2HG   GLN   7          2HG       GLN   7  66.893   7.742   5.871
   52   1HE2  GLN   7          1HE2      GLN   7  65.393   9.643   7.609
   53   2HE2  GLN   7          2HE2      GLN   7  64.859  10.886   6.529
   54    H    CYS   8           H        CYS   8  66.307   7.373   9.684
   55    HA   CYS   8           HA       CYS   8  67.703   7.305  12.202
   56   1HB   CYS   8          1HB       CYS   8  65.445   7.491  13.184
   57   2HB   CYS   8          2HB       CYS   8  65.728   8.730  11.967
   58    H    GLN   9           H        GLN   9  68.563   5.193  11.289
   59    HA   GLN   9           HA       GLN   9  67.280   2.812  11.042
   60   1HB   GLN   9          1HB       GLN   9  69.891   3.262  12.491
   61   2HB   GLN   9          2HB       GLN   9  69.330   1.717  11.867
   62   1HG   GLN   9          1HG       GLN   9  69.337   2.667   9.595
   63   2HG   GLN   9          2HG       GLN   9  69.991   4.166  10.253
   64   1HE2  GLN   9          1HE2      GLN   9  71.103   2.289   8.299
   65   2HE2  GLN   9          2HE2      GLN   9  72.637   1.802   8.937
   66    H    HIS  10           H        HIS  10  65.648   2.132  12.255
   67    HA   HIS  10           HA       HIS  10  66.178   0.929  14.741
   68   1HB   HIS  10          1HB       HIS  10  65.917   3.350  15.458
   69   2HB   HIS  10          2HB       HIS  10  64.240   3.240  14.941
   70    HD1  HIS  10           HD1      HIS  10  65.085   0.067  16.417
   71    HD2  HIS  10           HD2      HIS  10  64.068   3.830  17.886
   72    HE1  HIS  10           HE1      HIS  10  64.338  -0.306  18.783
   73    HE2  HIS  10           HE2      HIS  10  63.933   1.995  19.711
   74    H    VAL  11           H        VAL  11  63.161   2.485  13.627
   75    HA   VAL  11           HA       VAL  11  62.105  -0.171  12.968
   76    HB   VAL  11           HB       VAL  11  60.738   1.785  14.831
   77   1HG1  VAL  11          1HG1      VAL  11  59.768  -0.867  13.772
   78   2HG1  VAL  11          2HG1      VAL  11  59.124   0.721  13.352
   79   3HG1  VAL  11          3HG1      VAL  11  58.960   0.109  14.999
   80   1HG2  VAL  11          1HG2      VAL  11  61.804  -0.993  15.321
   81   2HG2  VAL  11          2HG2      VAL  11  60.897  -0.022  16.481
   82   3HG2  VAL  11          3HG2      VAL  11  62.489   0.511  15.939
   83    H    LEU  12           H        LEU  12  61.017  -0.180  11.117
   84    HA   LEU  12           HA       LEU  12  59.599   2.267  10.284
   85   1HB   LEU  12          1HB       LEU  12  60.641  -0.071   8.690
   86   2HB   LEU  12          2HB       LEU  12  59.454   1.044   8.042
   87    HG   LEU  12           HG       LEU  12  62.224   1.821   8.964
   88   1HD1  LEU  12          1HD1      LEU  12  62.300   0.417   6.974
   89   2HD1  LEU  12          2HD1      LEU  12  62.708   2.088   6.583
   90   3HD1  LEU  12          3HD1      LEU  12  61.111   1.454   6.185
   91   1HD2  LEU  12          1HD2      LEU  12  61.723   3.947   7.868
   92   2HD2  LEU  12          2HD2      LEU  12  60.586   3.621   9.175
   93   3HD2  LEU  12          3HD2      LEU  12  60.094   3.378   7.499
   94    H    ASP  13           H        ASP  13  57.585   2.125  11.111
   95    HA   ASP  13           HA       ASP  13  56.282  -0.505  11.173
   96   1HB   ASP  13          1HB       ASP  13  56.520   1.064  13.245
   97   2HB   ASP  13          2HB       ASP  13  55.201   1.965  12.507
   98    H    GLN  14           H        GLN  14  54.928  -0.937   9.567
   99    HA   GLN  14           HA       GLN  14  54.158   1.179   7.762
  100   1HB   GLN  14          1HB       GLN  14  53.730  -1.808   7.657
  101   2HB   GLN  14          2HB       GLN  14  53.165  -0.701   6.416
  102   1HG   GLN  14          1HG       GLN  14  55.182  -1.619   5.627
  103   2HG   GLN  14          2HG       GLN  14  55.552   0.030   6.128
  104   1HE2  GLN  14          1HE2      GLN  14  57.714  -0.369   6.432
  105   2HE2  GLN  14          2HE2      GLN  14  58.314  -1.325   7.742
  106    H    ASP  15           H        ASP  15  52.416   2.340   8.059
  107    HA   ASP  15           HA       ASP  15  50.169   1.674   9.631
  108   1HB   ASP  15          1HB       ASP  15  50.792   3.984   8.962
  109   2HB   ASP  15          2HB       ASP  15  50.394   3.597   7.295
  110    H    ASN  16           H        ASN  16  50.434   1.943   6.120
  111    HA   ASN  16           HA       ASN  16  49.214  -0.625   5.695
  112   1HB   ASN  16          1HB       ASN  16  47.332   0.115   4.365
  113   2HB   ASN  16          2HB       ASN  16  47.227   0.902   5.934
  114   1HD2  ASN  16          1HD2      ASN  16  47.683   3.130   6.093
  115   2HD2  ASN  16          2HD2      ASN  16  47.637   4.156   4.689
  116    H    GLY  17           H        GLY  17  50.163   2.447   4.272
  117   1HA   GLY  17          1HA       GLY  17  52.091   1.023   2.582
  118   2HA   GLY  17          2HA       GLY  17  51.013   2.204   1.840
  119    H    HIS  18           H        HIS  18  50.938   3.971   4.059
  120    HA   HIS  18           HA       HIS  18  53.406   5.403   3.819
  121   1HB   HIS  18          1HB       HIS  18  51.347   6.650   4.050
  122   2HB   HIS  18          2HB       HIS  18  50.938   5.794   5.528
  123    HD1  HIS  18           HD1      HIS  18  51.420   7.028   7.606
  124    HD2  HIS  18           HD2      HIS  18  53.808   8.315   4.447
  125    HE1  HIS  18           HE1      HIS  18  52.768   8.945   8.509
  126    HE2  HIS  18           HE2      HIS  18  53.986   9.871   6.511
  127    H    ALA  19           H        ALA  19  55.084   5.487   5.269
  128    HA   ALA  19           HA       ALA  19  55.037   3.442   7.362
  129   1HB   ALA  19          1HB       ALA  19  57.463   3.610   7.345
  130   2HB   ALA  19          2HB       ALA  19  57.376   4.943   6.193
  131   3HB   ALA  19          3HB       ALA  19  56.845   3.330   5.715
  132    H    ARG  20           H        ARG  20  55.124   3.897   9.458
  133    HA   ARG  20           HA       ARG  20  55.698   6.675  10.247
  134   1HB   ARG  20          1HB       ARG  20  53.373   6.043  10.717
  135   2HB   ARG  20          2HB       ARG  20  53.927   4.647  11.629
  136   1HG   ARG  20          1HG       ARG  20  54.887   6.045  13.315
  137   2HG   ARG  20          2HG       ARG  20  54.573   7.494  12.358
  138   1HD   ARG  20          1HD       ARG  20  52.929   7.228  14.147
  139   2HD   ARG  20          2HD       ARG  20  52.178   7.128  12.558
  140    HE   ARG  20           HE       ARG  20  52.898   4.602  13.807
  141   1HH1  ARG  20          1HH1      ARG  20  50.397   6.956  13.119
  142   2HH1  ARG  20          2HH1      ARG  20  49.093   5.850  13.455
  143   1HH2  ARG  20          1HH2      ARG  20  51.214   3.154  14.235
  144   2HH2  ARG  20          2HH2      ARG  20  49.557   3.679  14.102
  145    H    CYS  21           H        CYS  21  57.563   6.891  11.276
  146    HA   CYS  21           HA       CYS  21  59.011   4.547  12.066
  147   1HB   CYS  21          1HB       CYS  21  59.654   7.459  11.924
  148   2HB   CYS  21          2HB       CYS  21  60.712   6.367  12.814
  149    H    ARG  22           H        ARG  22  57.893   3.687  13.729
  150    HA   ARG  22           HA       ARG  22  57.136   4.879  16.115
  151   1HB   ARG  22          1HB       ARG  22  56.490   2.620  15.448
  152   2HB   ARG  22          2HB       ARG  22  58.157   2.084  15.574
  153   1HG   ARG  22          1HG       ARG  22  58.103   2.498  17.985
  154   2HG   ARG  22          2HG       ARG  22  56.417   3.009  17.848
  155   1HD   ARG  22          1HD       ARG  22  55.770   0.827  17.059
  156   2HD   ARG  22          2HD       ARG  22  57.453   0.305  17.013
  157    HE   ARG  22           HE       ARG  22  56.320   1.125  19.583
  158   1HH1  ARG  22          1HH1      ARG  22  57.400  -1.447  17.461
  159   2HH1  ARG  22          2HH1      ARG  22  57.584  -2.604  18.749
  160   1HH2  ARG  22          1HH2      ARG  22  56.552  -0.380  21.268
  161   2HH2  ARG  22          2HH2      ARG  22  57.071  -2.001  20.915
  162    H    SER  23           H        SER  23  58.297   5.921  17.546
  163    HA   SER  23           HA       SER  23  59.843   6.402  19.116
  164   1HB   SER  23          1HB       SER  23  60.073   3.999  19.553
  165   2HB   SER  23          2HB       SER  23  61.262   3.873  18.257
  166    HG   SER  23           HG       SER  23  62.033   5.828  19.876
  167    H    CYS  24           H        CYS  24  61.155   5.508  15.926
  168    HA   CYS  24           HA       CYS  24  63.428   7.245  16.398
  169   1HB   CYS  24          1HB       CYS  24  64.092   6.575  14.049
  170   2HB   CYS  24          2HB       CYS  24  64.029   5.286  15.242
  171    H    GLY  25           H        GLY  25  60.300   7.759  15.400
  172   1HA   GLY  25          1HA       GLY  25  59.463   9.921  15.286
  173   2HA   GLY  25          2HA       GLY  25  61.091  10.515  15.043
  174    H    GLU  26           H        GLU  26  62.002   9.756  12.774
  175    HA   GLU  26           HA       GLU  26  60.931  11.535  11.024
  176   1HB   GLU  26          1HB       GLU  26  62.379   9.007  10.232
  177   2HB   GLU  26          2HB       GLU  26  62.183  10.435   9.229
  178   1HG   GLU  26          1HG       GLU  26  63.442  11.726  10.954
  179   2HG   GLU  26          2HG       GLU  26  63.758  10.200  11.779
  180    H    PHE  27           H        PHE  27  59.036  11.696  10.082
  181    HA   PHE  27           HA       PHE  27  57.442   9.374   9.463
  182   1HB   PHE  27          1HB       PHE  27  55.804  11.056   8.594
  183   2HB   PHE  27          2HB       PHE  27  56.267  11.324  10.270
  184    HD1  PHE  27           HD1      PHE  27  56.144  12.704   6.952
  185    HD2  PHE  27           HD2      PHE  27  57.902  13.148  10.802
  186    HE1  PHE  27           HE1      PHE  27  56.746  15.025   6.405
  187    HE2  PHE  27           HE2      PHE  27  58.508  15.470  10.263
  188    HZ   PHE  27           HZ       PHE  27  57.930  16.411   8.062
  189    H    ILE  28           H        ILE  28  57.416   8.331   7.573
  190    HA   ILE  28           HA       ILE  28  58.793   9.603   5.301
  191    HB   ILE  28           HB       ILE  28  58.987   6.697   6.119
  192   1HG1  ILE  28          1HG1      ILE  28  61.094   8.872   6.127
  193   2HG1  ILE  28          2HG1      ILE  28  60.291   8.238   7.560
  194   1HG2  ILE  28          1HG2      ILE  28  60.618   6.509   4.294
  195   2HG2  ILE  28          2HG2      ILE  28  60.284   8.178   3.833
  196   3HG2  ILE  28          3HG2      ILE  28  59.019   6.955   3.702
  197   1HD1  ILE  28          1HD1      ILE  28  61.257   6.034   7.117
  198   2HD1  ILE  28          2HD1      ILE  28  62.499   7.273   7.299
  199   3HD1  ILE  28          3HD1      ILE  28  62.069   6.684   5.692
  200    H    GLU  29           H        GLU  29  57.512   9.826   3.612
  201    HA   GLU  29           HA       GLU  29  55.123   8.222   3.319
  202   1HB   GLU  29          1HB       GLU  29  55.213  10.663   2.742
  203   2HB   GLU  29          2HB       GLU  29  56.299  10.263   1.419
  204   1HG   GLU  29          1HG       GLU  29  54.031  10.564   0.625
  205   2HG   GLU  29          2HG       GLU  29  54.563   8.897   0.394
  206    H    MET  30           H        MET  30  54.777   6.692   1.677
  207    HA   MET  30           HA       MET  30  57.170   5.917   0.164
  208   1HB   MET  30          1HB       MET  30  55.497   4.118   1.905
  209   2HB   MET  30          2HB       MET  30  56.527   3.495   0.624
  210   1HG   MET  30          1HG       MET  30  58.465   4.567   1.705
  211   2HG   MET  30          2HG       MET  30  57.411   5.086   3.019
  212   1HE   MET  30          1HE       MET  30  60.126   3.374   3.329
  213   2HE   MET  30          2HE       MET  30  59.637   2.225   4.575
  214   3HE   MET  30          3HE       MET  30  59.159   3.917   4.700
  215    H    LYS  31           H        LYS  31  56.855   5.068  -1.812
  216    HA   LYS  31           HA       LYS  31  54.144   5.309  -2.887
  217   1HB   LYS  31          1HB       LYS  31  56.866   5.217  -4.177
  218   2HB   LYS  31          2HB       LYS  31  55.384   5.063  -5.111
  219   1HG   LYS  31          1HG       LYS  31  56.034   7.406  -3.339
  220   2HG   LYS  31          2HG       LYS  31  56.332   7.352  -5.079
  221   1HD   LYS  31          1HD       LYS  31  53.952   7.021  -5.488
  222   2HD   LYS  31          2HD       LYS  31  53.643   7.021  -3.751
  223   1HE   LYS  31          1HE       LYS  31  54.795   9.322  -5.319
  224   2HE   LYS  31          2HE       LYS  31  53.112   9.179  -4.806
  225   1HZ   LYS  31          1HZ       LYS  31  55.515   9.540  -3.123
  226   2HZ   LYS  31          2HZ       LYS  31  54.044   8.996  -2.475
  227   3HZ   LYS  31          3HZ       LYS  31  54.135  10.523  -3.211
  228    H    ALA  32           H        ALA  32  52.967   3.575  -3.220
  229    HA   ALA  32           HA       ALA  32  54.091   0.932  -3.006
  230   1HB   ALA  32          1HB       ALA  32  51.885   1.438  -2.072
  231   2HB   ALA  32          2HB       ALA  32  51.792   0.160  -3.282
  232   3HB   ALA  32          3HB       ALA  32  51.281   1.797  -3.689
  233    H    LEU  33           H        LEU  33  55.438   0.576  -4.723
  234    HA   LEU  33           HA       LEU  33  54.374   0.988  -7.423
  235   1HB   LEU  33          1HB       LEU  33  57.164   0.251  -6.539
  236   2HB   LEU  33          2HB       LEU  33  56.670   0.604  -8.182
  237    HG   LEU  33           HG       LEU  33  56.764   2.552  -5.876
  238   1HD1  LEU  33          1HD1      LEU  33  58.379   2.342  -8.413
  239   2HD1  LEU  33          2HD1      LEU  33  58.945   1.982  -6.782
  240   3HD1  LEU  33          3HD1      LEU  33  58.501   3.633  -7.217
  241   1HD2  LEU  33          1HD2      LEU  33  56.147   4.253  -7.516
  242   2HD2  LEU  33          2HD2      LEU  33  54.872   3.049  -7.332
  243   3HD2  LEU  33          3HD2      LEU  33  55.932   3.002  -8.742
  244    H    CYS  34           H        CYS  34  54.121  -0.648  -8.881
  245    HA   CYS  34           HA       CYS  34  54.159  -3.376  -7.927
  246   1HB   CYS  34          1HB       CYS  34  52.452  -2.490  -9.563
  247   2HB   CYS  34          2HB       CYS  34  53.741  -2.354 -10.751
  248    HA   PRO  35           HA       PRO  35  58.531  -3.497  -8.603
  249   1HB   PRO  35          1HB       PRO  35  58.839  -6.226  -8.352
  250   2HB   PRO  35          2HB       PRO  35  58.731  -5.100  -6.995
  251   1HG   PRO  35          1HG       PRO  35  56.618  -6.839  -8.191
  252   2HG   PRO  35          2HG       PRO  35  56.934  -6.465  -6.486
  253   1HD   PRO  35          1HD       PRO  35  54.939  -5.289  -7.861
  254   2HD   PRO  35          2HD       PRO  35  55.845  -4.425  -6.605
  255    H    ASP  36           H        ASP  36  56.315  -5.495 -10.386
  256    HA   ASP  36           HA       ASP  36  58.285  -6.174 -12.406
  257   1HB   ASP  36          1HB       ASP  36  56.275  -7.381 -13.424
  258   2HB   ASP  36          2HB       ASP  36  56.844  -7.965 -11.862
  259    H    CYS  37           H        CYS  37  56.558  -3.468 -11.842
  260    HA   CYS  37           HA       CYS  37  56.287  -2.885 -14.722
  261   1HB   CYS  37          1HB       CYS  37  54.424  -1.925 -12.541
  262   2HB   CYS  37          2HB       CYS  37  54.323  -1.490 -14.242
  263    H    HIS  38           H        HIS  38  57.206  -1.814 -11.551
  264    HA   HIS  38           HA       HIS  38  58.353  -0.022 -10.761
  265   1HB   HIS  38          1HB       HIS  38  59.691  -0.411 -12.941
  266   2HB   HIS  38          2HB       HIS  38  58.787   0.954 -13.583
  267    HD1  HIS  38           HD1      HIS  38  61.475   0.067 -11.145
  268    HD2  HIS  38           HD2      HIS  38  59.561   3.467 -12.592
  269    HE1  HIS  38           HE1      HIS  38  62.864   2.020 -10.370
  270    HE2  HIS  38           HE2      HIS  38  61.610   4.067 -11.130
  271    H    GLN  39           H        GLN  39  55.492  -0.015 -12.038
  272    HA   GLN  39           HA       GLN  39  55.010   2.885 -11.951
  273   1HB   GLN  39          1HB       GLN  39  54.311   1.583 -14.001
  274   2HB   GLN  39          2HB       GLN  39  53.186   0.696 -12.985
  275   1HG   GLN  39          1HG       GLN  39  52.170   2.946 -12.403
  276   2HG   GLN  39          2HG       GLN  39  53.130   3.600 -13.729
  277   1HE2  GLN  39          1HE2      GLN  39  50.443   1.624 -12.839
  278   2HE2  GLN  39          2HE2      GLN  39  49.780   1.433 -14.426
  279    HA   PRO  40           HA       PRO  40  53.018   2.442  -7.981
  280   1HB   PRO  40          1HB       PRO  40  51.086   4.438  -9.035
  281   2HB   PRO  40          2HB       PRO  40  52.055   4.479  -7.558
  282   1HG   PRO  40          1HG       PRO  40  52.703   5.994  -9.651
  283   2HG   PRO  40          2HG       PRO  40  53.955   5.213  -8.665
  284   1HD   PRO  40          1HD       PRO  40  52.910   4.450 -11.361
  285   2HD   PRO  40          2HD       PRO  40  54.569   4.381 -10.731
  286    H    LEU  41           H        LEU  41  51.188   1.560  -7.055
  287    HA   LEU  41           HA       LEU  41  49.458   0.083  -8.872
  288   1HB   LEU  41          1HB       LEU  41  49.808   0.010  -5.875
  289   2HB   LEU  41          2HB       LEU  41  48.653  -0.984  -6.742
  290    HG   LEU  41           HG       LEU  41  51.638  -1.076  -7.178
  291   1HD1  LEU  41          1HD1      LEU  41  51.565  -3.188  -5.957
  292   2HD1  LEU  41          2HD1      LEU  41  49.852  -2.939  -5.617
  293   3HD1  LEU  41          3HD1      LEU  41  51.056  -1.844  -4.935
  294   1HD2  LEU  41          1HD2      LEU  41  49.400  -2.859  -8.132
  295   2HD2  LEU  41          2HD2      LEU  41  51.122  -3.145  -8.387
  296   3HD2  LEU  41          3HD2      LEU  41  50.342  -1.746  -9.124
  297    H    GLN  42           H        GLN  42  47.191   0.162  -8.799
  298    HA   GLN  42           HA       GLN  42  46.093   2.723  -8.027
  299   1HB   GLN  42          1HB       GLN  42  45.305   1.783 -10.105
  300   2HB   GLN  42          2HB       GLN  42  44.848   0.284  -9.307
  301   1HG   GLN  42          1HG       GLN  42  43.168   1.533  -7.998
  302   2HG   GLN  42          2HG       GLN  42  43.583   2.985  -8.905
  303   1HE2  GLN  42          1HE2      GLN  42  41.462   3.148  -9.656
  304   2HE2  GLN  42          2HE2      GLN  42  40.850   2.107 -10.896
  305    H    VAL  43           H        VAL  43  45.505   3.084  -6.002
  306    HA   VAL  43           HA       VAL  43  44.908   0.978  -4.164
  307    HB   VAL  43           HB       VAL  43  44.444   3.953  -3.856
  308   1HG1  VAL  43          1HG1      VAL  43  44.454   3.477  -1.448
  309   2HG1  VAL  43          2HG1      VAL  43  44.593   1.754  -1.794
  310   3HG1  VAL  43          3HG1      VAL  43  43.142   2.635  -2.274
  311   1HG2  VAL  43          1HG2      VAL  43  46.567   3.945  -2.613
  312   2HG2  VAL  43          2HG2      VAL  43  46.785   3.477  -4.299
  313   3HG2  VAL  43          3HG2      VAL  43  46.794   2.249  -3.035
  314    H    LEU  44           H        LEU  44  43.102  -0.148  -4.360
  315    HA   LEU  44           HA       LEU  44  40.688   0.996  -5.446
  316   1HB   LEU  44          1HB       LEU  44  41.190  -1.700  -4.176
  317   2HB   LEU  44          2HB       LEU  44  39.706  -1.227  -4.979
  318    HG   LEU  44           HG       LEU  44  42.412  -1.514  -6.283
  319   1HD1  LEU  44          1HD1      LEU  44  39.900  -3.165  -6.506
  320   2HD1  LEU  44          2HD1      LEU  44  41.404  -3.650  -5.724
  321   3HD1  LEU  44          3HD1      LEU  44  41.362  -3.385  -7.468
  322   1HD2  LEU  44          1HD2      LEU  44  41.131   0.283  -7.311
  323   2HD2  LEU  44          2HD2      LEU  44  39.739  -0.787  -7.477
  324   3HD2  LEU  44          3HD2      LEU  44  41.217  -1.115  -8.385
  325    H    LYS  45           H        LYS  45  39.720   2.441  -4.212
  326    HA   LYS  45           HA       LYS  45  39.558   2.002  -1.316
  327   1HB   LYS  45          1HB       LYS  45  40.583   4.109  -2.190
  328   2HB   LYS  45          2HB       LYS  45  39.038   4.517  -2.915
  329   1HG   LYS  45          1HG       LYS  45  38.012   4.639  -0.715
  330   2HG   LYS  45          2HG       LYS  45  39.542   4.171   0.035
  331   1HD   LYS  45          1HD       LYS  45  40.599   6.182  -0.918
  332   2HD   LYS  45          2HD       LYS  45  39.048   6.657  -1.607
  333   1HE   LYS  45          1HE       LYS  45  39.648   6.325   1.329
  334   2HE   LYS  45          2HE       LYS  45  39.535   7.859   0.471
  335   1HZ   LYS  45          1HZ       LYS  45  37.374   5.925   1.059
  336   2HZ   LYS  45          2HZ       LYS  45  37.196   7.130  -0.120
  337   3HZ   LYS  45          3HZ       LYS  45  37.469   7.561   1.494
  338    H    ALA  46           H        ALA  46  37.756   0.973  -0.748
  339    HA   ALA  46           HA       ALA  46  35.214   1.818  -1.991
  340   1HB   ALA  46          1HB       ALA  46  35.913  -0.885  -0.842
  341   2HB   ALA  46          2HB       ALA  46  35.780  -0.491  -2.557
  342   3HB   ALA  46          3HB       ALA  46  34.353  -0.424  -1.522
  343    H    CYS  47           H        CYS  47  33.502   0.554  -0.179
  344    HA   CYS  47           HA       CYS  47  33.221   2.507   1.792
  345   1HB   CYS  47          1HB       CYS  47  32.131  -0.306   1.960
  346   2HB   CYS  47          2HB       CYS  47  31.457   1.149   2.687
  347    HG   CYS  47           HG       CYS  47  31.211   2.204  -0.122
  348    H    GLY  48           H        GLY  48  34.288  -0.870   2.166
  349   1HA   GLY  48          1HA       GLY  48  35.938  -0.004   4.447
  350   2HA   GLY  48          2HA       GLY  48  34.851  -1.375   4.633
  351    H    ALA  49           H        ALA  49  36.405  -0.775   1.612
  352    HA   ALA  49           HA       ALA  49  38.246  -3.011   2.110
  353   1HB   ALA  49          1HB       ALA  49  36.629  -2.551  -0.396
  354   2HB   ALA  49          2HB       ALA  49  36.335  -3.806   0.809
  355   3HB   ALA  49          3HB       ALA  49  37.815  -3.833  -0.150
  356    H    VAL  50           H        VAL  50  40.279  -2.590   1.626
  357    HA   VAL  50           HA       VAL  50  40.891  -0.523  -0.380
  358    HB   VAL  50           HB       VAL  50  42.478  -1.075   2.145
  359   1HG1  VAL  50          1HG1      VAL  50  42.901   0.973  -0.029
  360   2HG1  VAL  50          2HG1      VAL  50  43.904  -0.445   0.276
  361   3HG1  VAL  50          3HG1      VAL  50  43.829   0.856   1.466
  362   1HG2  VAL  50          1HG2      VAL  50  41.819   1.183   2.837
  363   2HG2  VAL  50          2HG2      VAL  50  40.418   0.130   2.643
  364   3HG2  VAL  50          3HG2      VAL  50  40.803   1.322   1.402
  365    H    ASP  51           H        ASP  51  42.052  -1.337  -2.039
  366    HA   ASP  51           HA       ASP  51  43.714  -3.705  -1.541
  367   1HB   ASP  51          1HB       ASP  51  41.258  -4.048  -2.584
  368   2HB   ASP  51          2HB       ASP  51  42.158  -3.722  -4.064
  369    H    TYR  52           H        TYR  52  44.818  -4.275  -3.814
  370    HA   TYR  52           HA       TYR  52  45.914  -1.742  -4.863
  371   1HB   TYR  52          1HB       TYR  52  47.537  -4.193  -4.135
  372   2HB   TYR  52          2HB       TYR  52  48.165  -2.680  -4.777
  373    HD1  TYR  52           HD1      TYR  52  48.197  -0.652  -3.357
  374    HD2  TYR  52           HD2      TYR  52  47.005  -4.435  -1.815
  375    HE1  TYR  52           HE1      TYR  52  48.493   0.195  -1.066
  376    HE2  TYR  52           HE2      TYR  52  47.295  -3.600   0.478
  377    HH   TYR  52           HH       TYR  52  47.745  -0.282   1.187
  378    H    PHE  53           H        PHE  53  45.318  -1.717  -6.942
  379    HA   PHE  53           HA       PHE  53  45.296  -4.255  -8.428
  380   1HB   PHE  53          1HB       PHE  53  43.183  -2.931  -8.327
  381   2HB   PHE  53          2HB       PHE  53  44.003  -1.620  -9.170
  382    HD1  PHE  53           HD1      PHE  53  44.194  -1.622 -11.508
  383    HD2  PHE  53           HD2      PHE  53  42.910  -5.139  -9.489
  384    HE1  PHE  53           HE1      PHE  53  43.595  -2.637 -13.663
  385    HE2  PHE  53           HE2      PHE  53  42.308  -6.162 -11.641
  386    HZ   PHE  53           HZ       PHE  53  42.654  -4.912 -13.736
  387    H    CYS  54           H        CYS  54  46.593  -4.584 -10.153
  388    HA   CYS  54           HA       CYS  54  48.573  -2.523 -10.749
  389   1HB   CYS  54          1HB       CYS  54  49.463  -4.722 -10.311
  390   2HB   CYS  54          2HB       CYS  54  48.391  -5.445 -11.502
  391    H    GLN  55           H        GLN  55  47.454  -1.058 -12.029
  392    HA   GLN  55           HA       GLN  55  46.035  -1.831 -14.373
  393   1HB   GLN  55          1HB       GLN  55  47.248   0.809 -13.557
  394   2HB   GLN  55          2HB       GLN  55  46.306   0.584 -15.027
  395   1HG   GLN  55          1HG       GLN  55  44.377  -0.064 -13.713
  396   2HG   GLN  55          2HG       GLN  55  45.321   0.099 -12.235
  397   1HE2  GLN  55          1HE2      GLN  55  42.886   1.482 -13.056
  398   2HE2  GLN  55          2HE2      GLN  55  43.263   3.169 -13.036
  399    H    HIS  56           H        HIS  56  47.164  -3.118 -15.609
  400    HA   HIS  56           HA       HIS  56  48.857  -2.284 -17.598
  401   1HB   HIS  56          1HB       HIS  56  50.326  -2.700 -15.122
  402   2HB   HIS  56          2HB       HIS  56  50.869  -3.812 -16.373
  403    HD1  HIS  56           HD1      HIS  56  51.363  -2.446 -18.794
  404    HD2  HIS  56           HD2      HIS  56  51.637  -0.347 -15.211
  405    HE1  HIS  56           HE1      HIS  56  52.737  -0.407 -19.303
  406    HE2  HIS  56           HE2      HIS  56  52.621   0.973 -17.203
  407    H    GLY  57           H        GLY  57  47.878  -4.777 -15.385
  408   1HA   GLY  57          1HA       GLY  57  46.618  -6.603 -16.492
  409   2HA   GLY  57          2HA       GLY  57  47.961  -6.707 -17.618
  410    H    HIS  58           H        HIS  58  47.925  -6.461 -14.055
  411    HA   HIS  58           HA       HIS  58  49.080  -9.167 -13.977
  412   1HB   HIS  58          1HB       HIS  58  49.979  -6.778 -12.353
  413   2HB   HIS  58          2HB       HIS  58  50.449  -8.437 -11.997
  414    HD2  HIS  58           HD2      HIS  58  51.424  -9.507 -14.834
  415    HE1  HIS  58           HE1      HIS  58  53.766  -5.984 -15.096
  416    HE2  HIS  58           HE2      HIS  58  53.523  -8.373 -15.834
  417    H    GLY  59           H        GLY  59  46.556  -7.258 -13.132
  418   1HA   GLY  59          1HA       GLY  59  44.707  -7.763 -11.853
  419   2HA   GLY  59          2HA       GLY  59  45.534  -9.215 -11.305
  420    H    LEU  60           H        LEU  60  45.088  -9.028  -9.159
  421    HA   LEU  60           HA       LEU  60  45.695  -6.547  -7.761
  422   1HB   LEU  60          1HB       LEU  60  44.636  -9.193  -6.769
  423   2HB   LEU  60          2HB       LEU  60  44.847  -7.768  -5.772
  424    HG   LEU  60           HG       LEU  60  42.980  -7.973  -8.136
  425   1HD1  LEU  60          1HD1      LEU  60  42.400  -7.940  -5.179
  426   2HD1  LEU  60          2HD1      LEU  60  42.257  -9.338  -6.244
  427   3HD1  LEU  60          3HD1      LEU  60  41.203  -7.943  -6.474
  428   1HD2  LEU  60          1HD2      LEU  60  42.121  -5.820  -7.340
  429   2HD2  LEU  60          2HD2      LEU  60  43.815  -5.713  -7.816
  430   3HD2  LEU  60          3HD2      LEU  60  43.382  -5.777  -6.108
  431    H    ILE  61           H        ILE  61  47.392  -6.209  -6.438
  432    HA   ILE  61           HA       ILE  61  49.502  -8.248  -6.495
  433    HB   ILE  61           HB       ILE  61  49.654  -5.290  -5.891
  434   1HG1  ILE  61          1HG1      ILE  61  49.298  -5.728  -8.253
  435   2HG1  ILE  61          2HG1      ILE  61  50.958  -5.198  -7.997
  436   1HG2  ILE  61          1HG2      ILE  61  51.305  -6.498  -4.583
  437   2HG2  ILE  61          2HG2      ILE  61  52.086  -5.580  -5.871
  438   3HG2  ILE  61          3HG2      ILE  61  51.873  -7.323  -6.034
  439   1HD1  ILE  61          1HD1      ILE  61  50.867  -7.012  -9.596
  440   2HD1  ILE  61          2HD1      ILE  61  50.047  -8.035  -8.418
  441   3HD1  ILE  61          3HD1      ILE  61  51.710  -7.523  -8.133
  442    H    SER  62           H        SER  62  50.066  -9.317  -4.715
  443    HA   SER  62           HA       SER  62  48.777  -9.094  -2.253
  444   1HB   SER  62          1HB       SER  62  49.966 -11.122  -2.888
  445   2HB   SER  62          2HB       SER  62  51.502 -10.253  -2.897
  446    HG   SER  62           HG       SER  62  50.628 -11.553  -0.909
  447    H    LYS  63           H        LYS  63  49.436  -8.241  -0.250
  448    HA   LYS  63           HA       LYS  63  50.525  -5.640  -0.414
  449   1HB   LYS  63          1HB       LYS  63  48.809  -6.440   1.236
  450   2HB   LYS  63          2HB       LYS  63  50.089  -7.299   2.076
  451   1HG   LYS  63          1HG       LYS  63  51.189  -5.243   2.632
  452   2HG   LYS  63          2HG       LYS  63  50.060  -4.321   1.634
  453   1HD   LYS  63          1HD       LYS  63  48.220  -4.977   3.097
  454   2HD   LYS  63          2HD       LYS  63  49.329  -5.935   4.078
  455   1HE   LYS  63          1HE       LYS  63  49.549  -2.957   3.656
  456   2HE   LYS  63          2HE       LYS  63  48.781  -3.713   5.051
  457   1HZ   LYS  63          1HZ       LYS  63  51.014  -3.114   5.608
  458   2HZ   LYS  63          2HZ       LYS  63  51.639  -3.937   4.260
  459   3HZ   LYS  63          3HZ       LYS  63  50.925  -4.807   5.530
  460    H    LYS  64           H        LYS  64  51.972  -8.714   0.010
  461    HA   LYS  64           HA       LYS  64  54.440  -7.636   1.109
  462   1HB   LYS  64          1HB       LYS  64  53.645  -9.862   1.829
  463   2HB   LYS  64          2HB       LYS  64  53.783 -10.437   0.173
  464   1HG   LYS  64          1HG       LYS  64  56.214  -9.939   0.262
  465   2HG   LYS  64          2HG       LYS  64  56.023  -9.536   1.968
  466   1HD   LYS  64          1HD       LYS  64  55.264 -11.794   2.440
  467   2HD   LYS  64          2HD       LYS  64  55.359 -12.203   0.724
  468   1HE   LYS  64          1HE       LYS  64  57.780 -11.740   0.779
  469   2HE   LYS  64          2HE       LYS  64  57.661 -11.411   2.507
  470   1HZ   LYS  64          1HZ       LYS  64  56.982 -13.666   2.891
  471   2HZ   LYS  64          2HZ       LYS  64  58.431 -13.672   2.007
  472   3HZ   LYS  64          3HZ       LYS  64  56.964 -13.997   1.227
  473    H    ARG  65           H        ARG  65  53.020  -8.160  -1.940
  474    HA   ARG  65           HA       ARG  65  55.586  -8.388  -3.321
  475   1HB   ARG  65          1HB       ARG  65  52.734  -8.555  -4.297
  476   2HB   ARG  65          2HB       ARG  65  54.117  -8.555  -5.381
  477   1HG   ARG  65          1HG       ARG  65  54.948 -10.591  -4.307
  478   2HG   ARG  65          2HG       ARG  65  53.538 -10.596  -3.246
  479   1HD   ARG  65          1HD       ARG  65  53.245 -12.128  -5.127
  480   2HD   ARG  65          2HD       ARG  65  52.069 -10.817  -5.176
  481    HE   ARG  65           HE       ARG  65  53.850  -9.811  -6.804
  482   1HH1  ARG  65          1HH1      ARG  65  52.820 -13.157  -6.579
  483   2HH1  ARG  65          2HH1      ARG  65  53.139 -13.494  -8.257
  484   1HH2  ARG  65          1HH2      ARG  65  54.234 -10.236  -8.996
  485   2HH2  ARG  65          2HH2      ARG  65  53.928 -11.823  -9.646
  486    H    VAL  66           H        VAL  66  54.268  -5.944  -1.937
  487    HA   VAL  66           HA       VAL  66  54.194  -4.077  -4.176
  488    HB   VAL  66           HB       VAL  66  53.703  -3.573  -1.233
  489   1HG1  VAL  66          1HG1      VAL  66  52.715  -1.458  -1.982
  490   2HG1  VAL  66          2HG1      VAL  66  53.193  -1.827  -3.640
  491   3HG1  VAL  66          3HG1      VAL  66  54.424  -1.568  -2.404
  492   1HG2  VAL  66          1HG2      VAL  66  51.747  -3.952  -3.498
  493   2HG2  VAL  66          2HG2      VAL  66  51.330  -3.469  -1.854
  494   3HG2  VAL  66          3HG2      VAL  66  52.021  -5.063  -2.156
  495    H    GLU  67           H        GLU  67  55.888  -2.867  -4.728
  496    HA   GLU  67           HA       GLU  67  58.279  -2.901  -3.083
  497   1HB   GLU  67          1HB       GLU  67  58.541  -3.175  -5.490
  498   2HB   GLU  67          2HB       GLU  67  57.708  -1.655  -5.781
  499   1HG   GLU  67          1HG       GLU  67  60.086  -1.375  -6.063
  500   2HG   GLU  67          2HG       GLU  67  59.525  -0.450  -4.674
  501    H    PHE  68           H        PHE  68  58.266  -1.560  -1.405
  502    HA   PHE  68           HA       PHE  68  56.931   1.021  -1.583
  503   1HB   PHE  68          1HB       PHE  68  58.266  -0.379   0.742
  504   2HB   PHE  68          2HB       PHE  68  57.474   1.188   0.846
  505    HD1  PHE  68           HD1      PHE  68  55.006   1.319   0.349
  506    HD2  PHE  68           HD2      PHE  68  57.050  -2.366   0.932
  507    HE1  PHE  68           HE1      PHE  68  52.861   0.208   0.819
  508    HE2  PHE  68           HE2      PHE  68  54.909  -3.485   1.400
  509    HZ   PHE  68           HZ       PHE  68  52.811  -2.198   1.345
  510    H    VAL  69           H        VAL  69  58.095   2.545  -2.566
  511    HA   VAL  69           HA       VAL  69  60.932   2.818  -1.839
  512    HB   VAL  69           HB       VAL  69  61.158   4.321  -3.762
  513   1HG1  VAL  69          1HG1      VAL  69  59.876   1.682  -4.455
  514   2HG1  VAL  69          2HG1      VAL  69  61.580   1.953  -4.087
  515   3HG1  VAL  69          3HG1      VAL  69  60.869   2.656  -5.540
  516   1HG2  VAL  69          1HG2      VAL  69  59.330   4.559  -5.388
  517   2HG2  VAL  69          2HG2      VAL  69  58.913   5.258  -3.825
  518   3HG2  VAL  69          3HG2      VAL  69  58.255   3.691  -4.293
  519    H    LEU  70           H        LEU  70  61.740   4.849  -1.176
  520    HA   LEU  70           HA       LEU  70  59.931   6.262   0.524
  521   1HB   LEU  70          1HB       LEU  70  62.843   6.636  -0.138
  522   2HB   LEU  70          2HB       LEU  70  61.978   7.757   0.894
  523    HG   LEU  70           HG       LEU  70  61.449   5.798   2.404
  524   1HD1  LEU  70          1HD1      LEU  70  63.551   4.443   0.722
  525   2HD1  LEU  70          2HD1      LEU  70  61.846   3.997   0.810
  526   3HD1  LEU  70          3HD1      LEU  70  62.877   3.829   2.232
  527   1HD2  LEU  70          1HD2      LEU  70  64.344   6.522   1.986
  528   2HD2  LEU  70          2HD2      LEU  70  63.657   5.819   3.450
  529   3HD2  LEU  70          3HD2      LEU  70  63.169   7.433   2.933
  530    H    ALA  71           H        ALA  71  58.990   8.197   0.252
  531    HA   ALA  71           HA       ALA  71  59.203   9.424  -2.394
  532   1HB   ALA  71          1HB       ALA  71  57.212   9.906  -0.176
  533   2HB   ALA  71          2HB       ALA  71  56.963   8.873  -1.584
  534   3HB   ALA  71          3HB       ALA  71  57.153  10.614  -1.790