*HEADER    OXIDOREDUCTASE                          22-DEC-09   2KRU              
*TITLE     SOLUTION NMR STRUCTURE OF THE PCP_RED DOMAIN OF LIGHT-                
*TITLE    2 INDEPENDENT PROTOCHLOROPHYLLIDE REDUCTASE SUBUNIT B FROM             
*TITLE    3 CHLOROBIUM TEPIDUM. NORTHEAST STRUCTURAL GENOMICS                    
*TITLE    4 CONSORTIUM TARGET CTR69A (CASP TARGET)                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LIGHT-INDEPENDENT PROTOCHLOROPHYLLIDE REDUCTASE            
*COMPND   3 SUBUNIT B;                                                           
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: RESIDUES 484-537;                                          
*COMPND   6 SYNONYM: LI-POR SUBUNIT B, DPOR SUBUNIT B;                           
*COMPND   7 EC: 1.18.-.-;                                                        
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CHLOROBACULUM TEPIDUM;                          
*SOURCE   3 ORGANISM_TAXID: 1097;                                                
*SOURCE   4 STRAIN: TLS;                                                         
*SOURCE   5 GENE: BCHB, CT2151;                                                  
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+ MAGIC;                          
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET 21-23C                                 
*KEYWDS    NESG, PSI, BCHB, BACTERIOCHLOROPHYLL BIOSYNTHESIS,                    
*KEYWDS   2 CHLOROPHYLL BIOSYNTHESIS, OXIDOREDUCTASE, PHOTOSYNTHESIS,            
*KEYWDS   3 STRUCTURAL GENOMICS, PROTEIN STRUCTURE INITIATIVE,                   
*KEYWDS   4 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.HE, A.ELETSKY, D.LEE, C.CICCOSANTI, H.JANJUA, T.B.ACTON,            
*AUTHOR   2 R.XIAO, J.K.EVERETT, G.T.MONTELIONE, T.SZYPERSKI, NORTHEAST          
*AUTHOR   3 STRUCTURAL GENOMICS CONSORTIUM (NESG)                                
*REVDAT   1   16-FEB-10 2KRU    0                                                


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assign (resid   27 and name HA   ) (resid   30 and name HB*  )   3.79   3.79   0.00
assign (resid   27 and name HB*  ) (resid   27 and name HE*  )   4.19   4.19   0.00
assign (resid   27 and name HG*  ) (resid   27 and name HE*  )   3.34   3.34   0.00
assign (resid   28 and name HN   ) (resid   28 and name HB*  )   3.41   3.41   0.00
assign (resid   28 and name HN   ) (resid   28 and name HD2* )   5.34   5.34   0.00
assign (resid   28 and name HA   ) (resid   31 and name HB*  )   3.20   3.20   0.00
assign (resid   28 and name HB*  ) (resid   29 and name HN   )   3.99   3.99   0.00
assign (resid   28 and name HB*  ) (resid   29 and name HG2* )   5.34   5.34   0.00
assign (resid   28 and name HB*  ) (resid   53 and name HD1* )   4.64   4.64   0.00
assign (resid   28 and name HB*  ) (resid   53 and name HD2* )   4.36   4.36   0.00
assign (resid   28 and name HD2* ) (resid   53 and name HD1* )   5.34   5.34   0.00
assign (resid   28 and name HD2* ) (resid   53 and name HD2* )   5.34   5.34   0.00
assign (resid   29 and name HB   ) (resid   30 and name HB*  )   5.34   5.34   0.00
assign (resid   29 and name HB   ) (resid   32 and name HB*  )   4.05   4.05   0.00
assign (resid   30 and name HN   ) (resid   30 and name HB*  )   3.39   3.39   0.00
assign (resid   30 and name HB*  ) (resid   31 and name HN   )   3.94   3.94   0.00
assign (resid   31 and name HN   ) (resid   31 and name HB*  )   3.29   3.29   0.00
assign (resid   31 and name HA   ) (resid   34 and name HB*  )   4.40   4.40   0.00
assign (resid   31 and name HB*  ) (resid   32 and name HN   )   4.29   4.29   0.00
assign (resid   31 and name HB*  ) (resid   34 and name HB*  )   5.10   5.10   0.00
assign (resid   32 and name HN   ) (resid   32 and name HB*  )   3.45   3.45   0.00
assign (resid   32 and name HA   ) (resid   35 and name HB*  )   4.32   4.32   0.00
assign (resid   32 and name HA   ) (resid   35 and name HG*  )   5.23   5.23   0.00
assign (resid   32 and name HB*  ) (resid   33 and name HN   )   3.62   3.62   0.00
assign (resid   32 and name HB*  ) (resid   33 and name HB*  )   5.20   5.20   0.00
assign (resid   32 and name HB*  ) (resid   34 and name HN   )   5.34   5.34   0.00
assign (resid   32 and name HB*  ) (resid   49 and name HB*  )   4.36   4.36   0.00
assign (resid   32 and name HB*  ) (resid   53 and name HD1* )   4.85   4.85   0.00
assign (resid   32 and name HD*  ) (resid   35 and name HB*  )   4.83   4.83   0.00
assign (resid   32 and name HD*  ) (resid   36 and name HG1* )   5.34   5.34   0.00
assign (resid   32 and name HD*  ) (resid   48 and name HB*  )   5.34   5.34   0.00
assign (resid   32 and name HE*  ) (resid   48 and name HB*  )   3.33   3.33   0.00
assign (resid   32 and name HE*  ) (resid   48 and name HG*  )   4.69   4.69   0.00
assign (resid   32 and name HE*  ) (resid   52 and name HB*  )   4.72   4.72   0.00
assign (resid   33 and name HA   ) (resid   36 and name HG1* )   3.80   3.80   0.00
assign (resid   33 and name HB*  ) (resid   36 and name HG1* )   4.23   4.23   0.00
assign (resid   34 and name HN   ) (resid   34 and name HB*  )   3.24   3.24   0.00
assign (resid   34 and name HN   ) (resid   34 and name HD*  )   5.34   5.34   0.00
assign (resid   34 and name HN   ) (resid   36 and name HG1* )   5.34   5.34   0.00
assign (resid   35 and name HN   ) (resid   35 and name HB*  )   3.32   3.32   0.00
assign (resid   35 and name HN   ) (resid   35 and name HG*  )   4.18   4.18   0.00
assign (resid   35 and name HB*  ) (resid   36 and name HN   )   3.98   3.98   0.00
assign (resid   35 and name HB*  ) (resid   36 and name HG2* )   4.19   4.19   0.00
assign (resid   35 and name HB*  ) (resid   36 and name HG1* )   4.87   4.87   0.00
assign (resid   36 and name HN   ) (resid   36 and name HG1* )   3.59   3.59   0.00
assign (resid   36 and name HG1* ) (resid   37 and name HN   )   4.78   4.78   0.00
assign (resid   36 and name HG1* ) (resid   38 and name HN   )   3.98   3.98   0.00
assign (resid   36 and name HG1* ) (resid   38 and name HG*  )   4.39   4.39   0.00
assign (resid   36 and name HD1* ) (resid   38 and name HG*  )   3.70   3.70   0.00
assign (resid   38 and name HN   ) (resid   38 and name HG*  )   4.05   4.05   0.00
assign (resid   38 and name HG*  ) (resid   40 and name HN   )   5.34   5.34   0.00
assign (resid   38 and name HG*  ) (resid   45 and name HG1* )   5.34   5.34   0.00
assign (resid   38 and name HG*  ) (resid   45 and name HG2* )   4.27   4.27   0.00
assign (resid   39 and name HB*  ) (resid   40 and name HG2* )   4.80   4.80   0.00
assign (resid   39 and name HG*  ) (resid   40 and name HN   )   4.50   4.50   0.00
assign (resid   39 and name HG*  ) (resid   40 and name HG2* )   3.90   3.90   0.00
assign (resid   44 and name HN   ) (resid   44 and name HB*  )   3.41   3.41   0.00
assign (resid   44 and name HB*  ) (resid   45 and name HG2* )   5.27   5.27   0.00
assign (resid   45 and name HA   ) (resid   48 and name HB*  )   4.04   4.04   0.00
assign (resid   45 and name HA   ) (resid   48 and name HD*  )   5.06   5.06   0.00
assign (resid   47 and name HN   ) (resid   47 and name HG*  )   4.52   4.52   0.00
assign (resid   47 and name HA   ) (resid   47 and name HG*  )   3.68   3.68   0.00
assign (resid   47 and name HA   ) (resid   50 and name HG*  )   5.34   5.34   0.00
assign (resid   48 and name HN   ) (resid   48 and name HG*  )   4.06   4.06   0.00
assign (resid   48 and name HN   ) (resid   48 and name HD*  )   5.30   5.30   0.00
assign (resid   48 and name HB*  ) (resid   48 and name HD*  )   3.29   3.29   0.00
assign (resid   48 and name HB*  ) (resid   48 and name HE*  )   4.24   4.24   0.00
assign (resid   48 and name HB*  ) (resid   49 and name HN   )   3.84   3.84   0.00
assign (resid   50 and name HN   ) (resid   50 and name HB*  )   3.42   3.42   0.00
assign (resid   50 and name HB*  ) (resid   50 and name HE*  )   5.34   5.34   0.00
assign (resid   50 and name HB*  ) (resid   51 and name HN   )   3.78   3.78   0.00
assign (resid   50 and name HG*  ) (resid   51 and name HN   )   5.34   5.34   0.00
assign (resid   51 and name HN   ) (resid   51 and name HG*  )   4.00   4.00   0.00
assign (resid   52 and name HN   ) (resid   52 and name HB*  )   3.67   3.67   0.00
assign (resid   52 and name HB*  ) (resid   53 and name HN   )   4.02   4.02   0.00
assign (resid   53 and name HN   ) (resid   53 and name HB*  )   3.61   3.61   0.00
assign (resid   53 and name HB*  ) (resid   54 and name HN   )   4.27   4.27   0.00
assign (resid   53 and name HB*  ) (resid   54 and name HA*  )   5.34   5.34   0.00
assign (resid   53 and name HB*  ) (resid   55 and name HN   )   5.34   5.34   0.00
assign (resid   55 and name HA*  ) (resid   56 and name HB*  )   5.34   5.34   0.00
assign (resid   56 and name HN   ) (resid   56 and name HB*  )   3.67   3.67   0.00
assign (resid   57 and name HN   ) (resid   57 and name HG*  )   4.81   4.81   0.00
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0 -101.0   30.5 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  147.6   24.7 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -85.6   13.2 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  168.5   10.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -58.0   11.1 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  -39.6   15.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -67.5   10.7 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -41.6   11.8 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -62.9   10.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -39.7   12.3 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -63.7   10.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -42.1   10.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -66.0   10.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -41.5   10.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -66.8   13.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -39.4   11.9 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -67.1   10.5 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -26.7   21.7 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -65.5   12.7 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -21.7   20.1 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0  -52.7   10.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  -49.8   12.8 2
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0  -61.3   10.0 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  -39.3   14.2 2
assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )    1.0  -65.7   10.0 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  -41.0   11.5 2
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0  -64.2   10.0 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  -40.4   10.0 2
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0  -66.2   10.0 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0  -42.9   10.0 2
assign (resid   26 and name C    ) (resid   27 and name N    )
       (resid   27 and name CA   ) (resid   27 and name C    )    1.0  -60.6   10.0 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )    1.0  -42.3   10.0 2
assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )    1.0  -64.7   10.0 2
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name C    ) (resid   29 and name N    )    1.0  -37.2   10.3 2
assign (resid   28 and name C    ) (resid   29 and name N    )
       (resid   29 and name CA   ) (resid   29 and name C    )    1.0  -67.0   11.5 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name C    ) (resid   30 and name N    )    1.0  -40.4   12.6 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0  -65.5   12.8 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  -40.9   14.7 2
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0  -66.1   10.8 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0  -36.0   11.6 2
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0  -62.7   10.0 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name C    ) (resid   33 and name N    )    1.0  -47.8   10.6 2
assign (resid   32 and name C    ) (resid   33 and name N    )
       (resid   33 and name CA   ) (resid   33 and name C    )    1.0  -60.7   10.6 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0  -45.5   13.1 2
assign (resid   33 and name C    ) (resid   34 and name N    )
       (resid   34 and name CA   ) (resid   34 and name C    )    1.0  -64.0   11.4 2
assign (resid   34 and name N    ) (resid   34 and name CA   )
       (resid   34 and name C    ) (resid   35 and name N    )    1.0  -38.9   17.0 2
assign (resid   34 and name C    ) (resid   35 and name N    )
       (resid   35 and name CA   ) (resid   35 and name C    )    1.0  -63.9   15.5 2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name C    ) (resid   36 and name N    )    1.0  -36.8   14.7 2
assign (resid   35 and name C    ) (resid   36 and name N    )
       (resid   36 and name CA   ) (resid   36 and name C    )    1.0  -91.7   20.6 2
assign (resid   36 and name N    ) (resid   36 and name CA   )
       (resid   36 and name C    ) (resid   37 and name N    )    1.0    2.3   21.4 2
assign (resid   42 and name C    ) (resid   43 and name N    )
       (resid   43 and name CA   ) (resid   43 and name C    )    1.0  -57.6   11.0 2
assign (resid   43 and name N    ) (resid   43 and name CA   )
       (resid   43 and name C    ) (resid   44 and name N    )    1.0  -37.3   15.6 2
assign (resid   43 and name C    ) (resid   44 and name N    )
       (resid   44 and name CA   ) (resid   44 and name C    )    1.0  -64.4   10.0 2
assign (resid   44 and name N    ) (resid   44 and name CA   )
       (resid   44 and name C    ) (resid   45 and name N    )    1.0  -39.7   12.9 2
assign (resid   44 and name C    ) (resid   45 and name N    )
       (resid   45 and name CA   ) (resid   45 and name C    )    1.0  -64.4   11.7 2
assign (resid   45 and name N    ) (resid   45 and name CA   )
       (resid   45 and name C    ) (resid   46 and name N    )    1.0  -45.7   10.0 2
assign (resid   45 and name C    ) (resid   46 and name N    )
       (resid   46 and name CA   ) (resid   46 and name C    )    1.0  -61.6   10.0 2
assign (resid   46 and name N    ) (resid   46 and name CA   )
       (resid   46 and name C    ) (resid   47 and name N    )    1.0  -43.3   10.0 2
assign (resid   46 and name C    ) (resid   47 and name N    )
       (resid   47 and name CA   ) (resid   47 and name C    )    1.0  -62.4   10.0 2
assign (resid   47 and name N    ) (resid   47 and name CA   )
       (resid   47 and name C    ) (resid   48 and name N    )    1.0  -41.9   10.0 2
assign (resid   47 and name C    ) (resid   48 and name N    )
       (resid   48 and name CA   ) (resid   48 and name C    )    1.0  -65.4   10.0 2
assign (resid   48 and name N    ) (resid   48 and name CA   )
       (resid   48 and name C    ) (resid   49 and name N    )    1.0  -43.6   10.0 2
assign (resid   48 and name C    ) (resid   49 and name N    )
       (resid   49 and name CA   ) (resid   49 and name C    )    1.0  -64.5   13.8 2
assign (resid   49 and name N    ) (resid   49 and name CA   )
       (resid   49 and name C    ) (resid   50 and name N    )    1.0  -40.6   14.3 2
assign (resid   49 and name C    ) (resid   50 and name N    )
       (resid   50 and name CA   ) (resid   50 and name C    )    1.0  -59.2   15.6 2
assign (resid   50 and name N    ) (resid   50 and name CA   )
       (resid   50 and name C    ) (resid   51 and name N    )    1.0  -39.3   19.8 2
assign (resid   50 and name C    ) (resid   51 and name N    )
       (resid   51 and name CA   ) (resid   51 and name C    )    1.0  -64.7   12.3 2
assign (resid   51 and name N    ) (resid   51 and name CA   )
       (resid   51 and name C    ) (resid   52 and name N    )    1.0  -41.0   10.0 2
assign (resid   51 and name C    ) (resid   52 and name N    )
       (resid   52 and name CA   ) (resid   52 and name C    )    1.0  -63.2   17.3 2
assign (resid   52 and name N    ) (resid   52 and name CA   )
       (resid   52 and name C    ) (resid   53 and name N    )    1.0  -39.5   21.6 2
   6 TRP   PHI    -131.5   -70.5
   6 TRP   PSI     122.9   172.3
   7 THR   PHI     -98.8   -72.5
   7 THR   PSI     158.5   178.5
   8 ALA   PHI     -69.1   -46.9
   8 ALA   PSI     -54.6   -24.7
   9 GLU   PHI     -78.2   -56.8
   9 GLU   PSI     -53.4   -29.9
  10 ALA   PHI     -72.9   -52.9
  10 ALA   PSI     -52.0   -27.4
  11 GLU   PHI     -73.7   -53.7
  11 GLU   PSI     -52.1   -32.1
  12 LYS   PHI     -76.0   -56.0
  12 LYS   PSI     -51.5   -31.5
  13 MET   PHI     -79.7   -53.8
  13 MET   PSI     -51.3   -27.5
  14 LEU   PHI     -77.6   -56.6
  14 LEU   PSI     -48.5    -5.0
  15 GLY   PHI     -78.2   -52.8
  15 GLY   PSI     -41.8    -1.6
  22 ARG   PHI     -62.7   -42.7
  22 ARG   PSI     -62.6   -37.0
  23 LYS   PHI     -71.3   -51.3
  23 LYS   PSI     -53.5   -25.1
  24 LYS   PHI     -75.7   -55.7
  24 LYS   PSI     -52.6   -29.5
  25 VAL   PHI     -74.2   -54.2
  25 VAL   PSI     -50.4   -30.4
  26 ARG   PHI     -76.2   -56.2
  26 ARG   PSI     -52.9   -32.9
  27 LYS   PHI     -70.6   -50.6
  27 LYS   PSI     -52.3   -32.3
  28 ASN   PHI     -74.7   -54.7
  28 ASN   PSI     -47.5   -26.8
  29 THR   PHI     -78.4   -55.5
  29 THR   PSI     -52.9   -27.8
  30 ASP   PHI     -78.2   -52.7
  30 ASP   PSI     -55.7   -26.2
  31 ASN   PHI     -76.9   -55.3
  31 ASN   PSI     -47.6   -24.4
  32 TYR   PHI     -72.7   -52.7
  32 TYR   PSI     -58.4   -37.2
  33 ALA   PHI     -71.3   -50.2
  33 ALA   PSI     -58.5   -32.4
  34 ARG   PHI     -75.4   -52.6
  34 ARG   PSI     -56.0   -21.9
  35 GLU   PHI     -79.4   -48.5
  35 GLU   PSI     -51.5   -22.2
  36 ILE   PHI    -112.3   -71.0
  36 ILE   PSI     -19.1    23.7
  43 ALA   PHI     -68.5   -46.6
  43 ALA   PSI     -52.9   -21.7
  44 ASP   PHI     -74.4   -54.4
  44 ASP   PSI     -52.6   -26.8
  45 VAL   PHI     -76.1   -52.8
  45 VAL   PSI     -55.7   -35.7
  46 PHE   PHI     -71.6   -51.6
  46 PHE   PSI     -53.3   -33.3
  47 ARG   PHI     -72.4   -52.4
  47 ARG   PSI     -51.9   -31.9
  48 LYS   PHI     -75.4   -55.4
  48 LYS   PSI     -53.6   -33.6
  49 ALA   PHI     -78.2   -50.7
  49 ALA   PSI     -54.9   -26.4
  50 LYS   PHI     -74.8   -43.6
  50 LYS   PSI     -59.2   -19.5
  51 GLU   PHI     -77.0   -52.4
  51 GLU   PSI     -51.0   -31.0
  52 HIS   PHI     -80.5   -45.9
  52 HIS   PSI     -61.1   -17.9
  4 LEU  H       4 LEU  HD1     5.50            #peak     1
  4 LEU  H       4 LEU  HD2     5.50            #peak     1
  4 LEU  HD2     5 SER  H       5.06            #peak    33
  5 SER  H      40 VAL  HG2     5.50            #peak     5
  4 LEU  HB3     5 SER  H       4.34            #peak     6
  4 LEU  HA      5 SER  H       3.45            #peak     9
  6 TRP  H       6 TRP  HB      3.63            #peak    11
  5 SER  HB      6 TRP  H       3.99            #peak    12
  5 SER  HA      6 TRP  H       3.25            #peak    13
  6 TRP  H       6 TRP  HD1     3.79            #peak     7
  6 TRP  HE1    41 VAL  HG2     4.04            #peak    16
  6 TRP  HE1    41 VAL  HB      5.04            #peak    17
  6 TRP  HE1    26 ARG  HG3     5.50            #peak    18
  4 LEU  HB3     6 TRP  HE1     5.50            #peak    19
  6 TRP  HE1    26 ARG  HG2     5.50            #peak    19
  4 LEU  HB2     6 TRP  HE1     5.17            #peak    20
  6 TRP  HE1    30 ASP  HA      5.50            #peak    21
  6 TRP  H       7 THR  H       4.96            #peak    22
  6 TRP  HE1    30 ASP  H       5.50            #peak    25
  7 THR  H      41 VAL  HG1     5.50            #peak    26
  7 THR  H      41 VAL  HB      5.07            #peak    27
  7 THR  H      10 ALA  HB      3.93            #peak   131
  6 TRP  HB      7 THR  H       4.07            #peak    30
  6 TRP  HA      7 THR  H       3.33            #peak    33
  7 THR  H      41 VAL  H       5.50            #peak    35
  7 THR  HG2     8 ALA  H       4.59            #peak    36
  8 ALA  H       8 ALA  HB      3.45            #peak    37
  7 THR  HB      8 ALA  H       3.68            #peak    41
  7 THR  HG1     8 ALA  H       5.50            #peak    42
  8 ALA  H      10 ALA  H       5.50            #peak    43
  7 THR  H       8 ALA  H       5.50            #peak    44
  8 ALA  H       9 GLU  H       4.20            #peak    45
  9 GLU  H      10 ALA  HB      5.50            #peak    46
  9 GLU  H       9 GLU  HB2     3.81            #peak    48
  7 THR  HA      9 GLU  H       5.44            #peak    53
  7 THR  HB      9 GLU  H       4.13            #peak    54
  7 THR  HG1     9 GLU  H       4.45            #peak    55
  9 GLU  H      10 ALA  H       3.86            #peak    56
  9 GLU  HG     10 ALA  H       5.50            #peak    61
 10 ALA  H      42 THR  HA      5.24            #peak    63
  7 THR  HB     10 ALA  H       4.98            #peak    64
  7 THR  HG1    10 ALA  H       4.03            #peak    65
  7 THR  H      10 ALA  H       5.16            #peak    34
 11 GLU  H      11 GLU  HB2     4.16            #peak    71
 11 GLU  H      11 GLU  HB3     4.16            #peak    72
 11 GLU  H      11 GLU  HG3     4.43            #peak    72
  6 TRP  HB     11 GLU  H       4.94            #peak    74
 10 ALA  H      11 GLU  H       3.70            #peak    78
 11 GLU  H      12 LYS  H       3.82            #peak    79
 12 LYS  H      12 LYS  HG3     4.82            #peak    81
 13 MET  H      13 MET  HG3     4.27            #peak    93
 10 ALA  HA     13 MET  H       4.79            #peak   119
 12 LYS  H      13 MET  H       3.72            #peak    87
 11 GLU  H      13 MET  H       5.34            #peak    80
 14 LEU  H      14 LEU  HD2     5.23            #peak   100
 14 LEU  H      14 LEU  HG      5.19            #peak   102
 10 ALA  HB     14 LEU  H       5.50            #peak   102
 13 MET  HG3    14 LEU  H       5.50            #peak   105
  6 TRP  HZ3    14 LEU  H       5.01            #peak   109
 14 LEU  H      46 PHE  HE      5.50            #peak   111
 13 MET  H      14 LEU  H       3.81            #peak   112
 14 LEU  HD2    15 GLY  H       5.50            #peak   114
 14 LEU  HD1    15 GLY  H       5.50            #peak   115
 14 LEU  HG     15 GLY  H       5.45            #peak   116
 14 LEU  HB3    15 GLY  H       4.66            #peak   118
 12 LYS  HA     15 GLY  H       5.35            #peak   120
 14 LEU  H      15 GLY  H       3.90            #peak   113
 16 LYS  H      16 LYS  HG3     4.39            #peak   125
 16 LYS  H      16 LYS  HD      5.03            #peak   126
 16 LYS  H      17 VAL  HB      5.50            #peak   129
 14 LEU  HA     16 LYS  H       5.03            #peak   131
 15 GLY  H      16 LYS  H       3.72            #peak   133
 14 LEU  H      16 LYS  H       5.22            #peak   111
 17 VAL  H      17 VAL  HG2     3.59            #peak   136
 16 LYS  HB3    17 VAL  H       5.02            #peak   138
 16 LYS  HB2    17 VAL  H       5.02            #peak   139
 17 VAL  H      17 VAL  HB      3.51            #peak   140
 17 VAL  H      18 PRO  HD2     5.50            #peak   141
 15 GLY  HA     17 VAL  H       5.12            #peak   142
 17 VAL  H      22 ARG  HE      5.32            #peak   197
 16 LYS  H      17 VAL  H       3.54            #peak   146
 18 PRO  HG     19 PHE  H       5.50            #peak   148
 19 PHE  H      19 PHE  HB3     4.04            #peak   150
 19 PHE  H      19 PHE  HD      5.32            #peak   154
 20 PHE  H      21 VAL  HG2     5.50            #peak   156
 20 PHE  H      21 VAL  HG1     5.50            #peak   156
 18 PRO  HB2    20 PHE  H       5.31            #peak   157
 18 PRO  HB3    20 PHE  H       5.50            #peak   158
 19 PHE  H      20 PHE  H       5.25            #peak   155
 21 VAL  H      22 ARG  HB2     5.50            #peak   169
 18 PRO  HG     21 VAL  H       4.92            #peak   170
 20 PHE  HB3    21 VAL  H       5.50            #peak   171
 20 PHE  HB2    21 VAL  H       5.50            #peak   172
 21 VAL  H      22 ARG  HA      5.50            #peak   173
 19 PHE  HA     21 VAL  H       5.50            #peak   174
 21 VAL  H      22 ARG  H       3.20            #peak   188
 20 PHE  H      21 VAL  H       3.94            #peak   163
 21 VAL  HG2    22 ARG  H       4.42            #peak   428
 17 VAL  HG1    22 ARG  H       4.72            #peak   180
 22 ARG  H      22 ARG  HD      5.50            #peak   183
 19 PHE  HA     22 ARG  H       4.60            #peak   185
 20 PHE  HA     22 ARG  H       5.38            #peak   186
 17 VAL  HG2    22 ARG  HE      5.49            #peak   190
 22 ARG  HG     22 ARG  HE      4.14            #peak   191
 17 VAL  HB     22 ARG  HE      5.18            #peak   193
 15 GLY  HA     22 ARG  HE      5.50            #peak   195
 19 PHE  HA     22 ARG  HE      5.30            #peak   377
 22 ARG  H      23 LYS  H       4.64            #peak   189
 24 LYS  H      25 VAL  HG2     5.10            #peak   204
 23 LYS  HB     24 LYS  H       3.82            #peak   206
 24 LYS  H      24 LYS  HB      3.29            #peak   207
 21 VAL  HB     24 LYS  H       5.36            #peak   208
 24 LYS  H      25 VAL  HB      5.50            #peak   208
 22 ARG  HA     24 LYS  H       5.50            #peak   209
 23 LYS  H      24 LYS  H       3.95            #peak   211
 24 LYS  H      26 ARG  H       5.31            #peak   235
 22 ARG  HA     25 VAL  H       4.65            #peak   217
 24 LYS  H      25 VAL  H       3.75            #peak   221
 25 VAL  H      26 ARG  H       3.81            #peak   237
 22 ARG  HG     26 ARG  H       5.50            #peak   225
 26 ARG  H      26 ARG  HB2     3.67            #peak   226
 25 VAL  HB     26 ARG  H       3.95            #peak   228
 22 ARG  HA     26 ARG  H       5.31            #peak   231
 27 LYS  H      27 LYS  HG2     5.50            #peak   244
 27 LYS  H      27 LYS  HG3     5.50            #peak   244
 26 ARG  HB2    27 LYS  H       4.61            #peak   245
 51 GLU  HB     52 HIS  H       4.25            #peak   246
 51 GLU  H      52 HIS  H       3.82            #peak   250
 26 ARG  H      27 LYS  H       3.95            #peak   236
 27 LYS  H      28 ASN  H       3.85            #peak   258
 25 VAL  HG1    28 ASN  H       5.50            #peak   252
 28 ASN  H      29 THR  HG2     5.50            #peak   252
 28 ASN  H      28 ASN  HB2     4.15            #peak   254
 27 LYS  HB     29 THR  H       5.29            #peak   267
 25 VAL  HA     29 THR  H       5.31            #peak   269
 29 THR  H      29 THR  HG1     3.20            #peak   271
 28 ASN  H      29 THR  H       3.95            #peak   272
 29 THR  H      30 ASP  H       3.67            #peak   282
 29 THR  HG2    30 ASP  H       4.58            #peak   274
 29 THR  HG1    30 ASP  H       3.97            #peak   278
 30 ASP  H      32 TYR  H       4.86            #peak   280
 29 THR  H      31 ASN  H       5.50            #peak   288
 31 ASN  H      33 ALA  H       5.50            #peak   288
 30 ASP  H      31 ASN  H       3.87            #peak   281
 27 LYS  HG2    31 ASN  HD22    5.50            #peak   290
 27 LYS  HG3    31 ASN  HD22    5.50            #peak   290
 27 LYS  HG2    31 ASN  HD21    5.50            #peak   293
 28 ASN  HA     31 ASN  HD21    4.64            #peak   593
 28 ASN  HA     31 ASN  HD22    5.50            #peak   297
  6 TRP  HE1    29 THR  HG1     5.20            #peak   298
 29 THR  HG2    32 TYR  H       5.50            #peak   299
 32 TYR  H      33 ALA  HB      4.99            #peak   300
 31 ASN  HB2    32 TYR  H       5.11            #peak   301
 32 TYR  H      32 TYR  HB2     4.06            #peak   302
 30 ASP  HA     32 TYR  H       5.50            #peak   305
 32 TYR  H      32 TYR  HD      4.23            #peak    50
 28 ASN  HA     32 TYR  H       5.50            #peak   307
 31 ASN  H      32 TYR  H       3.98            #peak   287
 33 ALA  H      41 VAL  HG2     5.32            #peak   879
  4 LEU  HD1    33 ALA  H       5.50            #peak   311
 33 ALA  H      45 VAL  HG1     5.50            #peak   311
 33 ALA  H      33 ALA  HB      3.37            #peak   312
 30 ASP  HA     33 ALA  H       4.59            #peak   315
 32 TYR  HD     33 ALA  H       4.13            #peak    51
 32 TYR  H      33 ALA  H       3.82            #peak   309
 33 ALA  H      34 ARG  H       3.99            #peak   328
  4 LEU  HD1    34 ARG  H       4.77            #peak   318
 33 ALA  HB     34 ARG  H       3.85            #peak   320
 30 ASP  HA     34 ARG  H       5.16            #peak   326
 31 ASN  HA     34 ARG  H       4.74            #peak   652
 34 ARG  H      36 ILE  H       5.07            #peak   327
 33 ALA  HB     35 GLU  H       5.50            #peak   330
 35 GLU  H      35 GLU  HB2     3.78            #peak   331
 35 GLU  H      35 GLU  HG2     4.94            #peak   334
 32 TYR  HA     35 GLU  H       4.59            #peak   336
 31 ASN  HA     35 GLU  H       5.50            #peak   337
 36 ILE  H      36 ILE  HG13    4.36            #peak   749
 35 GLU  HB2    36 ILE  H       4.55            #peak   342
 35 GLU  HB3    36 ILE  H       4.55            #peak   343
 35 GLU  H      36 ILE  H       3.84            #peak   338
 36 ILE  H      38 GLU  H       5.30            #peak   348
 36 ILE  HG2    37 GLY  H       5.50            #peak   349
 33 ALA  HB     37 GLY  H       5.50            #peak   351
 37 GLY  H      38 GLU  HB2     5.50            #peak   352
 36 ILE  HB     37 GLY  H       5.15            #peak   353
 37 GLY  H      38 GLU  H       3.71            #peak   367
 38 GLU  H      38 GLU  HB2     3.65            #peak   360
 38 GLU  H      38 GLU  HB3     4.11            #peak   361
 40 VAL  H      40 VAL  HG1     5.23            #peak   368
 40 VAL  H      40 VAL  HG2     4.20            #peak   369
 40 VAL  H      45 VAL  HG2     5.26            #peak   370
 38 GLU  HB2    40 VAL  H       4.97            #peak   371
 40 VAL  H      40 VAL  HB      3.86            #peak   372
 39 PRO  HD3    40 VAL  H       4.78            #peak   374
 38 GLU  HA     40 VAL  H       4.49            #peak   377
 40 VAL  H      41 VAL  H       5.50            #peak   378
 41 VAL  H      41 VAL  HG1     4.83            #peak   379
 33 ALA  HB     41 VAL  H       5.50            #peak   383
  4 LEU  HB3    41 VAL  H       5.39            #peak   384
  6 TRP  HA     41 VAL  H       4.08            #peak   388
 41 VAL  HB     42 THR  H       5.50            #peak   392
 40 VAL  HG1    42 THR  H       5.49            #peak   393
 42 THR  H      45 VAL  HG2     3.70            #peak   395
 41 VAL  HA     42 THR  H       3.30            #peak   397
 42 THR  H      45 VAL  H       4.37            #peak   433
 41 VAL  H      42 THR  H       5.50            #peak   401
 42 THR  H      43 ALA  H       5.50            #peak   401
 43 ALA  H      43 ALA  HB      3.28            #peak   402
 42 THR  HG2    43 ALA  H       4.58            #peak   403
 13 MET  HE     43 ALA  H       5.46            #peak   405
  7 THR  HG1    43 ALA  H       4.21            #peak   408
 10 ALA  H      43 ALA  H       5.50            #peak   410
 43 ALA  H      44 ASP  H       4.07            #peak   422
 42 THR  HG2    44 ASP  H       5.45            #peak   909
 44 ASP  H      45 VAL  HB      5.50            #peak   415
 44 ASP  H      44 ASP  HB2     4.08            #peak   416
 42 THR  HG1    44 ASP  H       5.10            #peak   420
 41 VAL  HG1    45 VAL  H       5.50            #peak   423
 45 VAL  H      45 VAL  HB      3.60            #peak   426
 44 ASP  HB2    45 VAL  H       4.85            #peak   928
 44 ASP  HB3    45 VAL  H       4.85            #peak   932
 45 VAL  H      46 PHE  HB3     5.50            #peak   428
 41 VAL  HA     45 VAL  H       5.50            #peak   428
 42 THR  HA     45 VAL  H       5.29            #peak   431
 42 THR  HB     45 VAL  H       5.50            #peak   431
 42 THR  HG1    45 VAL  H       4.94            #peak   432
 44 ASP  H      45 VAL  H       3.96            #peak   421
 43 ALA  H      45 VAL  H       5.50            #peak   436
 45 VAL  HG2    46 PHE  H       4.91            #peak   439
 10 ALA  HB     46 PHE  H       4.73            #peak   440
 45 VAL  HB     46 PHE  H       3.90            #peak   441
 42 THR  H      46 PHE  H       5.00            #peak   446
 45 VAL  H      46 PHE  H       3.84            #peak   448
 45 VAL  HG2    47 ARG  H       5.50            #peak   449
 47 ARG  H      49 ALA  HB      5.32            #peak   450
 47 ARG  H      47 ARG  HB      3.45            #peak   452
 46 PHE  HB2    47 ARG  H       4.53            #peak   453
 45 VAL  H      47 ARG  H       5.28            #peak   458
 47 ARG  H      48 LYS  H       3.76            #peak   459
 48 LYS  H      48 LYS  HG3     4.65            #peak   460
 47 ARG  HB     48 LYS  H       4.04            #peak   462
 45 VAL  HA     48 LYS  H       4.68            #peak   463
 45 VAL  HA     49 ALA  H       5.39            #peak   472
 46 PHE  HA     49 ALA  H       5.50            #peak   473
 32 TYR  HE     49 ALA  H       4.72            #peak    64
 32 TYR  HD     49 ALA  H       5.33            #peak   475
 48 LYS  H      49 ALA  H       3.70            #peak   477
 50 LYS  H      50 LYS  HB2     3.93            #peak   480
 50 LYS  H      51 GLU  HB      5.50            #peak   481
 50 LYS  H      51 GLU  H       3.46            #peak   484
 49 ALA  H      50 LYS  H       3.85            #peak   476
 48 LYS  H      50 LYS  H       5.50            #peak   486
 50 LYS  H      53 LEU  H       5.50            #peak   486
 49 ALA  HB     51 GLU  H       5.50            #peak   487
 50 LYS  HB3    51 GLU  H       4.41            #peak   488
 50 LYS  HB2    51 GLU  H       4.41            #peak   489
 51 GLU  H      51 GLU  HB      3.47            #peak   490
 49 ALA  HA     51 GLU  H       5.43            #peak   493
 53 LEU  H      53 LEU  HD1     5.00            #peak   498
 53 LEU  H      53 LEU  HD2     5.50            #peak   498
 50 LYS  HA     53 LEU  H       5.03            #peak   502
 52 HIS  H      53 LEU  H       4.24            #peak   505
 53 LEU  H      54 GLY  H       4.27            #peak   512
 53 LEU  HD1    54 GLY  H       5.50            #peak   506
 53 LEU  HD2    54 GLY  H       5.50            #peak   506
 53 LEU  HB3    54 GLY  H       5.00            #peak   507
 53 LEU  HB2    54 GLY  H       5.00            #peak   508
 50 LYS  HA     54 GLY  H       5.25            #peak   510
 56 LEU  H      56 LEU  HD1     5.50            #peak   515
 56 LEU  H      56 LEU  HD2     5.50            #peak   515
 56 LEU  HB2    57 GLU  H       5.50            #peak   520
 56 LEU  HB3    57 GLU  H       5.50            #peak   520
 57 GLU  H      57 GLU  HG3     5.50            #peak   522
 55 GLY  HA     57 GLU  H       5.37            #peak   523
 56 LEU  H      57 GLU  H       4.60            #peak   525
  6 TRP  HE1    26 ARG  HA      5.50            #peak   526
 13 MET  HE     14 LEU  H       5.50            #peak   527
 14 LEU  HD1    22 ARG  HE      5.50            #peak   530
 17 VAL  HG1    22 ARG  HE      5.50            #peak   530
 23 LYS  H      23 LYS  HG2     5.50            #peak   531
 14 LEU  HD2    26 ARG  HE      5.50            #peak   533
 25 VAL  HA     27 LYS  H       5.50            #peak   535
 50 LYS  HA     52 HIS  H       5.50            #peak   535
 28 ASN  H      29 THR  HG1     5.45            #peak   538
 29 THR  H      49 ALA  HB      5.50            #peak   544
 30 ASP  H      33 ALA  HB      5.50            #peak   546
 45 VAL  HG1    48 LYS  H       5.50            #peak   550
 48 LYS  H      49 ALA  HB      5.50            #peak   551
 44 ASP  HA     48 LYS  H       5.50            #peak   552
 48 LYS  HA     50 LYS  H       5.25            #peak   553
 49 ALA  H      51 GLU  H       5.50            #peak   554
 52 HIS  HD2    53 LEU  H       5.50            #peak   555
 56 LEU  HD1    57 GLU  H       5.50            #peak   557
 56 LEU  HD2    57 GLU  H       5.50            #peak   557
  3 GLU  HA      4 LEU  HG      5.50            #peak     1
 31 ASN  HA     34 ARG  HG      5.50            #peak     1
  3 GLU  HG      4 LEU  H       5.50            #peak    10
  9 GLU  H       9 GLU  HG      4.42            #peak    50
  3 GLU  HA      4 LEU  HB2     5.50            #peak    19
  4 LEU  HB2    30 ASP  HA      5.50            #peak    19
  4 LEU  HB2    39 PRO  HA      5.50            #peak    19
  4 LEU  HB2     5 SER  H       5.02            #peak    22
  4 LEU  HB3     6 TRP  HD1     5.50            #peak    25
  4 LEU  HD2    41 VAL  HG2     4.10            #peak    28
  4 LEU  HD2    33 ALA  HB      4.84            #peak    29
  4 LEU  HA      4 LEU  HD2     4.02            #peak    11
  4 LEU  HD1    41 VAL  HG2     3.92            #peak   865
  4 LEU  HD1    33 ALA  HB      3.78            #peak    35
  4 LEU  HD1    34 ARG  HA      5.50            #peak    38
  4 LEU  HA      4 LEU  HD1     5.50            #peak    40
  4 LEU  HD1    39 PRO  HA      5.50            #peak    40
  4 LEU  HD1    30 ASP  H       5.50            #peak    42
  4 LEU  HD1    41 VAL  H       5.50            #peak    42
  4 LEU  H       4 LEU  HG      4.81            #peak     2
  4 LEU  HB2     5 SER  HB      5.50            #peak    48
  5 SER  HB     40 VAL  HB      5.50            #peak    48
  4 LEU  HA      5 SER  HB      5.50            #peak    49
  5 SER  H       5 SER  HB      3.72            #peak    51
  6 TRP  HA     41 VAL  HB      3.80            #peak    54
  6 TRP  HA     10 ALA  HB      5.27            #peak    56
  6 TRP  HA      7 THR  HG2     5.50            #peak    56
  6 TRP  HB     41 VAL  HB      5.50            #peak    61
  6 TRP  HB     10 ALA  HB      4.16            #peak   124
  6 TRP  HB     11 GLU  HG3     4.63            #peak    63
  6 TRP  HB      6 TRP  HZ3     5.50            #peak    65
  7 THR  HA      7 THR  HG2     3.66            #peak    70
  6 TRP  HA      7 THR  HA      5.50            #peak    73
  7 THR  HA      8 ALA  H       3.44            #peak    40
  7 THR  HG2    40 VAL  HG1     3.61            #peak    84
  7 THR  HG2    42 THR  HA      3.60            #peak    86
  7 THR  HG2     7 THR  HG1     3.81            #peak    88
  7 THR  H       7 THR  HG2     3.63            #peak    29
  7 THR  HG2     9 GLU  H       5.09            #peak    46
  8 ALA  HA     11 GLU  HB3     4.61            #peak    93
  8 ALA  HA     11 GLU  H       4.61            #peak    76
  8 ALA  HB      9 GLU  HA      4.82            #peak    97
  7 THR  HA      8 ALA  HB      4.87            #peak    99
  7 THR  HB      8 ALA  HB      4.95            #peak   100
  8 ALA  HB      9 GLU  H       3.79            #peak    47
  9 GLU  HA     12 LYS  HE      5.50            #peak   105
 12 LYS  HA     12 LYS  HE      5.50            #peak   105
  7 THR  HG1     9 GLU  HB2     5.50            #peak   108
  7 THR  HG1     9 GLU  HB3     5.50            #peak   112
  9 GLU  HB3    10 ALA  H       4.26            #peak    60
  9 GLU  H       9 GLU  HB3     3.81            #peak    49
 10 ALA  HA     46 PHE  HD      5.50            #peak   118
 10 ALA  HB     41 VAL  HG1     3.67            #peak   884
 10 ALA  HB     46 PHE  HB2     4.65            #peak   983
 10 ALA  HB     42 THR  HA      4.16            #peak   126
  7 THR  HG1    10 ALA  HB      4.76            #peak   127
 10 ALA  HB     46 PHE  HD      5.19            #peak   129
 10 ALA  H      10 ALA  HB      3.34            #peak    58
 10 ALA  HB     11 GLU  H       3.88            #peak    70
 11 GLU  HA     14 LEU  HD1     5.50            #peak   134
  6 TRP  HZ3    11 GLU  HA      5.29            #peak   137
  6 TRP  HE3    11 GLU  HA      4.09            #peak    11
  8 ALA  HA     11 GLU  HB2     4.61            #peak   141
 32 TYR  HA     35 GLU  HB3     4.94            #peak   661
  6 TRP  HB     11 GLU  HG2     4.63            #peak   146
  8 ALA  HA     11 GLU  HG2     5.19            #peak   148
 11 GLU  H      11 GLU  HG2     4.43            #peak    73
  8 ALA  HA     11 GLU  HG3     5.19            #peak    93
  6 TRP  HE3    11 GLU  HG3     5.50            #peak   153
 34 ARG  HA     38 GLU  H       5.50            #peak   158
 12 LYS  HB     13 MET  H       3.96            #peak    91
 12 LYS  H      12 LYS  HB      3.30            #peak    83
 12 LYS  HB     12 LYS  HE      4.86            #peak   169
 12 LYS  HA     12 LYS  HD      4.86            #peak   165
 24 LYS  HA     24 LYS  HD      5.42            #peak   165
 21 VAL  HG1    24 LYS  HE      5.29            #peak   166
 36 ILE  HD1    48 LYS  HE      5.13            #peak   728
 12 LYS  H      12 LYS  HG2     4.82            #peak    82
 13 MET  HA     16 LYS  H       5.07            #peak   181
 13 MET  HA     15 GLY  H       5.50            #peak   183
 24 LYS  HB     25 VAL  H       3.75            #peak   215
 13 MET  HB3    46 PHE  HD      5.50            #peak   189
 13 MET  HE     43 ALA  HA      4.11            #peak   193
 13 MET  HE     47 ARG  H       4.93            #peak   195
 13 MET  H      13 MET  HG2     4.27            #peak    94
 13 MET  HG2    14 LEU  H       5.50            #peak   204
 14 LEU  HA     14 LEU  HD2     5.50            #peak   210
 14 LEU  HA     17 VAL  HG2     3.78            #peak   312
 14 LEU  HA     17 VAL  HB      5.30            #peak   215
 14 LEU  HA     46 PHE  HE      4.64            #peak   105
 14 LEU  HA     17 VAL  H       5.11            #peak   143
 14 LEU  HB2    14 LEU  HD1     4.13            #peak   238
  6 TRP  HE3    14 LEU  HB2     5.50            #peak   225
 14 LEU  HB3    14 LEU  HD1     4.13            #peak   239
  6 TRP  HE3    14 LEU  HB3     5.50            #peak   233
 14 LEU  HD1    17 VAL  HB      4.86            #peak   240
 14 LEU  HD1    22 ARG  HA      4.65            #peak   242
 14 LEU  HA     14 LEU  HD1     3.58            #peak   243
  6 TRP  HH2    14 LEU  HD1     4.43            #peak   245
 14 LEU  HD1    46 PHE  HE      4.31            #peak   246
  6 TRP  HZ2    14 LEU  HD1     5.50            #peak   247
 14 LEU  HD1    17 VAL  H       5.50            #peak   247
 14 LEU  H      14 LEU  HD1     5.10            #peak   101
 14 LEU  HD1    25 VAL  H       5.50            #peak   249
 14 LEU  HD1    26 ARG  H       4.54            #peak   250
 14 LEU  HD2    26 ARG  HB2     5.17            #peak   531
 14 LEU  HD2    22 ARG  HD      5.33            #peak   257
 11 GLU  HA     14 LEU  HD2     5.21            #peak   133
 14 LEU  HD2    26 ARG  HH2     5.50            #peak   259
  6 TRP  HZ3    14 LEU  HD2     5.50            #peak   260
  6 TRP  HE3    14 LEU  HD2     5.50            #peak   261
  6 TRP  HH2    14 LEU  HD2     4.74            #peak    15
 14 LEU  HD2    26 ARG  H       5.12            #peak   223
 14 LEU  HG     22 ARG  HD      4.99            #peak   266
 16 LYS  HA     16 LYS  HD      4.60            #peak   279
 13 MET  HB2    46 PHE  HD      5.50            #peak   278
 16 LYS  H      16 LYS  HG2     4.39            #peak   126
 23 LYS  H      23 LYS  HG3     5.50            #peak   288
 20 PHE  HA     21 VAL  HG1     5.50            #peak   289
 17 VAL  HA     18 PRO  HD3     3.28            #peak   294
 17 VAL  HB     22 ARG  HG      4.27            #peak   298
 14 LEU  HD2    17 VAL  HG2     5.25            #peak   306
 16 LYS  HB3    17 VAL  HG2     5.25            #peak   309
 16 LYS  HB2    17 VAL  HG2     5.25            #peak   310
 17 VAL  HG2    25 VAL  HB      5.50            #peak   310
 17 VAL  HG2    18 PRO  HD2     4.69            #peak   311
 17 VAL  HA     17 VAL  HG2     3.72            #peak   313
 16 LYS  H      17 VAL  HG2     4.99            #peak   124
 17 VAL  HG2    46 PHE  HE      5.50            #peak   316
 14 LEU  HD2    17 VAL  HG1     5.50            #peak   318
 17 VAL  HG1    18 PRO  HG      4.67            #peak   323
 17 VAL  HG1    25 VAL  HB      5.37            #peak   323
 17 VAL  HG1    18 PRO  HD2     3.94            #peak   325
 17 VAL  HA     17 VAL  HG1     3.98            #peak   290
 17 VAL  HG1    46 PHE  HZ      5.35            #peak   328
 17 VAL  HG1    21 VAL  H       5.26            #peak   329
 17 VAL  H      17 VAL  HG1     4.29            #peak   135
 18 PRO  HA     20 PHE  H       5.43            #peak   334
 18 PRO  HA     19 PHE  H       3.53            #peak   153
 18 PRO  HB2    21 VAL  H       4.84            #peak   168
 18 PRO  HB3    20 PHE  HD      5.50            #peak   348
 18 PRO  HB3    21 VAL  H       5.50            #peak   348
 18 PRO  HD3    21 VAL  HG2     5.02            #peak   424
 17 VAL  HG1    18 PRO  HD3     4.36            #peak   350
 17 VAL  HG2    18 PRO  HD3     5.45            #peak   351
 17 VAL  HB     18 PRO  HD3     5.10            #peak   354
 18 PRO  HD2    21 VAL  HG2     4.31            #peak   423
 17 VAL  HA     18 PRO  HD2     3.71            #peak   364
 18 PRO  HG     21 VAL  HG2     4.42            #peak   420
 17 VAL  HA     18 PRO  HG      5.27            #peak   371
 19 PHE  HA     22 ARG  HD      5.09            #peak   374
 19 PHE  HA     20 PHE  HA      5.50            #peak   376
 18 PRO  HA     19 PHE  HA      5.50            #peak   376
 19 PHE  H      19 PHE  HB2     4.04            #peak   151
 20 PHE  HA     20 PHE  HE      5.50            #peak   393
 20 PHE  HB2    21 VAL  HG1     5.29            #peak   432
 20 PHE  HB2    21 VAL  HG2     5.50            #peak   395
 20 PHE  HB3    21 VAL  HG2     5.50            #peak   400
 31 ASN  HB3    32 TYR  H       5.11            #peak   301
 21 VAL  HA     21 VAL  HG1     3.72            #peak   405
 21 VAL  HA     24 LYS  HB      4.48            #peak   406
 21 VAL  HA     24 LYS  H       5.01            #peak   411
 21 VAL  HB     25 VAL  HG2     4.52            #peak   413
 17 VAL  HG1    21 VAL  HB      5.50            #peak   413
 17 VAL  HG1    21 VAL  HG2     3.46            #peak   416
 17 VAL  HG2    21 VAL  HG2     4.11            #peak   307
 18 PRO  HB2    21 VAL  HG2     4.37            #peak   418
 21 VAL  HG2    24 LYS  HB      4.98            #peak   419
 17 VAL  HB     21 VAL  HG2     5.50            #peak   421
 18 PRO  HB3    21 VAL  HG2     4.91            #peak   343
 17 VAL  HA     21 VAL  HG2     5.50            #peak   425
 20 PHE  HA     21 VAL  HG2     5.50            #peak   425
 21 VAL  H      21 VAL  HG2     3.68            #peak   166
 21 VAL  HG2    25 VAL  H       5.19            #peak   213
 21 VAL  HG2    23 LYS  H       5.50            #peak   429
 20 PHE  HB3    21 VAL  HG1     5.29            #peak   431
 18 PRO  HD2    21 VAL  HG1     5.50            #peak   433
 21 VAL  HG1    22 ARG  HA      5.50            #peak   433
 20 PHE  HD     21 VAL  HG1     4.15            #peak    72
 21 VAL  H      21 VAL  HG1     5.00            #peak   435
 21 VAL  HG1    22 ARG  H       5.50            #peak   436
 21 VAL  HG2    22 ARG  HA      5.26            #peak   437
 17 VAL  HG1    22 ARG  HA      3.73            #peak   438
 17 VAL  HG2    22 ARG  HA      4.72            #peak   439
 22 ARG  HA     22 ARG  HG      3.81            #peak   440
 22 ARG  HA     25 VAL  HB      4.18            #peak   442
 17 VAL  HB     22 ARG  HA      4.88            #peak   301
 22 ARG  HA     22 ARG  HD      5.50            #peak   444
 19 PHE  HA     22 ARG  HB2     4.21            #peak   373
 22 ARG  H      22 ARG  HB2     3.58            #peak   182
 19 PHE  HA     22 ARG  HB3     4.21            #peak   372
 21 VAL  H      22 ARG  HB3     5.50            #peak   460
 22 ARG  H      22 ARG  HB3     3.58            #peak   181
 14 LEU  HD1    22 ARG  HD      5.19            #peak   241
 17 VAL  HG1    22 ARG  HD      5.50            #peak   463
 17 VAL  HB     22 ARG  HD      5.50            #peak   466
 19 PHE  HD     22 ARG  HD      5.50            #peak   469
 14 LEU  HD2    22 ARG  HG      4.81            #peak   470
 19 PHE  HA     22 ARG  HG      5.50            #peak   475
 22 ARG  HG     23 LYS  HA      5.50            #peak   475
 22 ARG  H      22 ARG  HG      4.90            #peak   477
 23 LYS  HA     23 LYS  HE      5.50            #peak   482
 48 LYS  HA     48 LYS  HE      5.50            #peak   482
 23 LYS  HA     26 ARG  H       4.59            #peak   233
 23 LYS  HB     23 LYS  HE      5.49            #peak   485
 23 LYS  H      23 LYS  HB      3.74            #peak   199
 23 LYS  HA     23 LYS  HD      4.96            #peak   489
 34 ARG  HG     35 GLU  HA      5.50            #peak   489
 21 VAL  HG1    24 LYS  HB      5.50            #peak   491
 16 LYS  HB3    16 LYS  HE      5.50            #peak   493
 24 LYS  HB     24 LYS  HE      5.50            #peak   493
 24 LYS  H      24 LYS  HG2     5.50            #peak   497
 24 LYS  H      24 LYS  HG3     5.50            #peak   498
 25 VAL  HA     25 VAL  HG1     3.78            #peak   499
 25 VAL  HA     25 VAL  HG2     3.52            #peak   518
 24 LYS  HB     25 VAL  HA      5.50            #peak   500
 25 VAL  HA     28 ASN  H       4.66            #peak   256
 25 VAL  H      25 VAL  HB      3.45            #peak   216
 25 VAL  H      25 VAL  HG1     5.24            #peak   514
 24 LYS  HB     25 VAL  HG2     4.51            #peak   492
 22 ARG  HA     25 VAL  HG2     4.64            #peak   517
 25 VAL  H      25 VAL  HG2     3.44            #peak   214
 25 VAL  HG2    26 ARG  H       4.95            #peak   520
 14 LEU  HD2    26 ARG  HA      5.08            #peak   521
 26 ARG  HA     29 THR  HG1     4.27            #peak   526
 26 ARG  HA     29 THR  H       4.71            #peak   270
 14 LEU  HD2    26 ARG  HB3     5.17            #peak   536
 26 ARG  HB3    27 LYS  H       4.61            #peak   539
 26 ARG  H      26 ARG  HB3     3.67            #peak   227
 14 LEU  HD2    26 ARG  HD2     5.10            #peak   541
 26 ARG  HA     26 ARG  HD2     5.50            #peak   545
 14 LEU  HD2    26 ARG  HD3     5.10            #peak   548
 26 ARG  HA     26 ARG  HD3     5.50            #peak   554
  6 TRP  HZ2    26 ARG  HG2     4.19            #peak    25
 27 LYS  HA     27 LYS  HD      4.87            #peak   572
 27 LYS  HA     30 ASP  HB3     4.65            #peak   574
 27 LYS  HA     30 ASP  HB2     4.65            #peak   575
 27 LYS  HA     30 ASP  H       5.50            #peak   577
 27 LYS  H      27 LYS  HB      3.43            #peak   246
 27 LYS  HB     28 ASN  H       3.71            #peak   253
 27 LYS  HG3    31 ASN  HD21    5.50            #peak   590
 28 ASN  HA     31 ASN  H       4.64            #peak   594
 28 ASN  HB2    53 LEU  HD2     5.02            #peak  1093
 28 ASN  HB2    53 LEU  HD1     5.50            #peak   596
 25 VAL  HA     28 ASN  HB2     4.69            #peak   502
 28 ASN  HB3    53 LEU  HD2     5.02            #peak  1092
 28 ASN  HB3    53 LEU  HD1     5.50            #peak  1099
 25 VAL  HA     28 ASN  HB3     4.69            #peak   604
 28 ASN  H      28 ASN  HB3     4.15            #peak   255
  4 LEU  HD1    29 THR  HB      5.50            #peak   611
 29 THR  HB     33 ALA  HB      4.93            #peak   613
 29 THR  HB     49 ALA  HB      5.45            #peak   613
  6 TRP  HH2    29 THR  HB      5.45            #peak   617
  6 TRP  HZ2    29 THR  HB      4.74            #peak   618
 29 THR  HB     32 TYR  H       4.66            #peak   303
 29 THR  HB     30 ASP  H       4.98            #peak   621
 29 THR  HG2    41 VAL  HG1     3.45            #peak   622
 14 LEU  HD2    25 VAL  HG1     4.53            #peak   623
 14 LEU  HD1    25 VAL  HB      4.20            #peak   624
 29 THR  HA     29 THR  HG2     3.53            #peak   626
 29 THR  HG2    32 TYR  HD      4.76            #peak   100
 29 THR  HG2    46 PHE  HD      3.53            #peak    78
 25 VAL  HG1    46 PHE  HE      5.19            #peak   629
  6 TRP  HZ2    29 THR  HG2     3.64            #peak    24
 29 THR  H      29 THR  HG2     4.40            #peak   266
 25 VAL  HG1    26 ARG  H       4.59            #peak   224
 30 ASP  HA     41 VAL  HG2     4.35            #peak   633
  4 LEU  HD1    30 ASP  HA      3.95            #peak   634
 29 THR  HG2    30 ASP  HA      5.42            #peak   635
 30 ASP  HB2    31 ASN  H       4.53            #peak   643
 30 ASP  H      30 ASP  HB2     4.12            #peak   276
 30 ASP  HB3    31 ASN  H       4.53            #peak   283
 30 ASP  H      30 ASP  HB3     4.12            #peak   275
 31 ASN  H      31 ASN  HB2     4.08            #peak   655
 31 ASN  H      31 ASN  HB3     4.08            #peak   284
 32 TYR  HA     35 GLU  HB2     4.94            #peak   660
 32 TYR  HA     32 TYR  HD      3.37            #peak    48
 32 TYR  HB2    53 LEU  HD2     5.50            #peak   667
 33 ALA  HA     36 ILE  HG2     5.18            #peak   755
 33 ALA  HA     36 ILE  HG13    4.38            #peak   747
 33 ALA  HA     38 GLU  HB3     5.10            #peak   677
 33 ALA  HA     38 GLU  HG2     5.50            #peak   678
 33 ALA  HA     38 GLU  HG3     5.50            #peak   678
 32 TYR  HD     33 ALA  HA      4.40            #peak    46
 33 ALA  HA     36 ILE  H       4.82            #peak   344
 33 ALA  HA     38 GLU  H       4.76            #peak   363
 33 ALA  HB     41 VAL  HG2     3.63            #peak   867
 33 ALA  HB     45 VAL  HG1     3.72            #peak   950
 33 ALA  HB     38 GLU  HB3     4.62            #peak   917
 30 ASP  HA     33 ALA  HB      4.11            #peak   636
 12 LYS  HA     16 LYS  H       5.50            #peak   692
 48 LYS  HA     51 GLU  H       5.50            #peak   701
 35 GLU  H      35 GLU  HB3     3.78            #peak   333
 51 GLU  HG2    52 HIS  H       5.50            #peak   709
 35 GLU  H      35 GLU  HG3     4.94            #peak   711
 51 GLU  HG3    52 HIS  H       5.50            #peak   711
 36 ILE  HA     36 ILE  HG2     3.55            #peak   757
 36 ILE  HA     36 ILE  HD1     4.92            #peak   730
 36 ILE  HB     36 ILE  HD1     3.52            #peak   726
 36 ILE  HG2    36 ILE  HD1     3.48            #peak   751
 36 ILE  HD1    38 GLU  HB2     5.35            #peak   724
 36 ILE  HD1    48 LYS  HD2     5.50            #peak   725
 36 ILE  HD1    48 LYS  HD3     5.50            #peak   725
 33 ALA  HA     36 ILE  HD1     4.22            #peak   729
 36 ILE  HD1    38 GLU  HA      5.50            #peak   731
 32 TYR  HE     36 ILE  HD1     3.38            #peak    53
 32 TYR  HD     36 ILE  HD1     4.30            #peak    40
 36 ILE  H      36 ILE  HD1     4.58            #peak   340
 36 ILE  HD1    38 GLU  H       4.90            #peak   358
 33 ALA  HA     36 ILE  HG12    4.38            #peak   675
 36 ILE  H      36 ILE  HG12    4.36            #peak   341
 35 GLU  HA     36 ILE  HG2     5.47            #peak   756
 32 TYR  HE     36 ILE  HG2     3.79            #peak    52
 32 TYR  HD     36 ILE  HG2     4.64            #peak    39
 36 ILE  H      36 ILE  HG2     3.88            #peak   339
 33 ALA  HA     38 GLU  HB2     5.02            #peak   769
 38 GLU  HB3    40 VAL  H       5.28            #peak   776
 38 GLU  HG2    45 VAL  HG2     4.88            #peak   779
 38 GLU  HG3    45 VAL  HG2     4.88            #peak   786
  4 LEU  HD2    39 PRO  HA      4.26            #peak   790
 33 ALA  HB     39 PRO  HA      5.14            #peak   688
 38 GLU  HA     39 PRO  HD3     3.58            #peak   802
 38 GLU  HA     39 PRO  HD2     3.67            #peak   807
 39 PRO  HD2    40 VAL  H       4.20            #peak   375
 39 PRO  HG2    40 VAL  H       5.24            #peak   813
 39 PRO  HG3    40 VAL  H       5.24            #peak   818
 40 VAL  HA     40 VAL  HG1     3.82            #peak  1193
  6 TRP  HA     40 VAL  HA      5.45            #peak   824
 40 VAL  HA     41 VAL  H       3.36            #peak   387
 40 VAL  HB     41 VAL  H       5.02            #peak   385
 40 VAL  HG1    42 THR  HG2     3.61            #peak   899
  5 SER  HB     40 VAL  HG1     4.35            #peak   834
  6 TRP  HA     40 VAL  HG1     4.68            #peak   835
  7 THR  H      40 VAL  HG1     4.76            #peak   836
 40 VAL  HG1    41 VAL  H       3.94            #peak   837
 40 VAL  HG2    42 THR  HG2     4.55            #peak   838
  5 SER  HB     40 VAL  HG2     4.15            #peak   841
 40 VAL  HA     40 VAL  HG2     3.66            #peak   842
 40 VAL  HG2    41 VAL  H       4.99            #peak   844
 41 VAL  HA     41 VAL  HG1     3.69            #peak   887
 41 VAL  HA     45 VAL  HG1     4.09            #peak   952
 41 VAL  HA     45 VAL  HG2     4.27            #peak   962
 33 ALA  HB     41 VAL  HA      5.19            #peak   850
 41 VAL  HA     45 VAL  HB      4.11            #peak   851
 41 VAL  HA     42 THR  HA      5.50            #peak   852
 40 VAL  HA     41 VAL  HB      5.18            #peak   820
  6 TRP  HD1    41 VAL  HB      4.38            #peak     2
 41 VAL  H      41 VAL  HB      3.90            #peak   381
 29 THR  HG2    41 VAL  HG2     3.99            #peak   866
  4 LEU  HB3    41 VAL  HG2     4.54            #peak   868
  4 LEU  HB2    41 VAL  HG2     4.54            #peak   869
 41 VAL  HA     41 VAL  HG2     3.74            #peak   870
 40 VAL  HA     41 VAL  HG2     5.33            #peak   871
 29 THR  HA     41 VAL  HG2     5.50            #peak   872
 29 THR  HG1    41 VAL  HG2     5.50            #peak   872
  6 TRP  HA     41 VAL  HG2     4.78            #peak    53
 41 VAL  HG2    42 THR  H       5.35            #peak   874
  6 TRP  HE3    41 VAL  HG2     5.50            #peak   875
  6 TRP  HH2    41 VAL  HG2     5.50            #peak   875
  6 TRP  HD1    41 VAL  HG2     4.17            #peak     1
 40 VAL  H      41 VAL  HG2     5.50            #peak   876
  7 THR  H      41 VAL  HG2     5.50            #peak   878
 41 VAL  H      41 VAL  HG2     3.83            #peak   880
 41 VAL  HG1    45 VAL  HB      4.24            #peak   885
 41 VAL  HG1    42 THR  HA      5.29            #peak   889
  6 TRP  HA     41 VAL  HG1     4.94            #peak    52
 41 VAL  HG1    42 THR  H       4.44            #peak   548
  6 TRP  HE3    41 VAL  HG1     4.90            #peak   103
 41 VAL  HG1    46 PHE  HD      4.53            #peak   101
 41 VAL  HG1    46 PHE  H       4.42            #peak   895
 42 THR  HB     43 ALA  H       3.26            #peak   407
 40 VAL  HB     42 THR  HG2     4.43            #peak   900
 41 VAL  HA     42 THR  HG2     5.00            #peak   901
 40 VAL  HA     42 THR  HG2     5.38            #peak   902
 42 THR  HA     42 THR  HG2     3.78            #peak   903
  7 THR  HG1    42 THR  HG2     5.22            #peak   904
 42 THR  H      42 THR  HG2     3.85            #peak   906
 42 THR  HG2    45 VAL  H       5.50            #peak   907
 43 ALA  HA     46 PHE  HB2     4.66            #peak   912
 43 ALA  HA     46 PHE  H       5.01            #peak   915
 43 ALA  HA     47 ARG  H       5.50            #peak   915
  9 GLU  HG     43 ALA  HB      4.65            #peak   115
 43 ALA  HB     44 ASP  H       3.79            #peak   414
 44 ASP  HA     47 ARG  HB      4.10            #peak   922
 44 ASP  H      44 ASP  HB3     4.08            #peak   933
 45 VAL  HA     45 VAL  HG2     3.59            #peak   963
 32 TYR  HE     45 VAL  HA      4.46            #peak    62
 42 THR  H      45 VAL  HA      5.50            #peak   939
 42 THR  H      45 VAL  HB      3.43            #peak   396
 41 VAL  HG2    45 VAL  HG1     4.01            #peak   949
 45 VAL  HA     45 VAL  HG1     3.72            #peak   953
 45 VAL  HG1    46 PHE  HA      5.31            #peak   954
 42 THR  H      45 VAL  HG1     4.50            #peak   394
 45 VAL  H      45 VAL  HG1     4.67            #peak   424
 45 VAL  HG1    46 PHE  H       4.69            #peak   438
 45 VAL  HG1    49 ALA  H       5.41            #peak   467
 41 VAL  HG1    45 VAL  HG2     5.09            #peak   960
 42 THR  HA     45 VAL  HG2     5.34            #peak   964
 42 THR  HB     45 VAL  HG2     5.16            #peak   964
 42 THR  HG1    45 VAL  HG2     5.13            #peak   965
 45 VAL  H      45 VAL  HG2     3.55            #peak   425
 44 ASP  H      45 VAL  HG2     5.08            #peak   968
 41 VAL  HG1    46 PHE  HA      4.63            #peak   888
 29 THR  HG2    46 PHE  HA      3.90            #peak   970
 41 VAL  HG1    46 PHE  HB3     5.01            #peak   975
 10 ALA  HB     46 PHE  HB3     5.42            #peak   976
 43 ALA  HB     46 PHE  HB3     5.50            #peak   976
 43 ALA  HA     46 PHE  HB3     4.10            #peak   913
 46 PHE  H      46 PHE  HB3     3.62            #peak   443
 46 PHE  HB3    47 ARG  H       3.83            #peak   454
 41 VAL  HG1    46 PHE  HB2     4.19            #peak   886
 29 THR  HG2    46 PHE  HB2     5.40            #peak   982
 46 PHE  H      46 PHE  HB2     3.58            #peak   442
 47 ARG  HA     49 ALA  HB      5.50            #peak   988
 46 PHE  HD     47 ARG  HA      5.03            #peak   991
 47 ARG  HA     50 LYS  H       5.21            #peak   992
 47 ARG  HB     47 ARG  HD      3.86            #peak  1139
 32 TYR  HE     48 LYS  HB2     3.82            #peak    59
 48 LYS  HB2    49 ALA  H       4.58            #peak   470
 32 TYR  HE     48 LYS  HB3     3.82            #peak    58
 48 LYS  HB3    49 ALA  H       4.58            #peak   469
 34 ARG  H      34 ARG  HG      4.39            #peak   321
 16 LYS  HB2    16 LYS  HE      5.50            #peak  1012
 48 LYS  H      48 LYS  HG2     4.65            #peak   461
 32 TYR  HE     49 ALA  HA      3.94            #peak    60
 32 TYR  HD     49 ALA  HA      3.85            #peak    44
 49 ALA  HA     52 HIS  H       5.22            #peak  1021
 49 ALA  HA     53 LEU  H       5.41            #peak  1022
 32 TYR  HB2    49 ALA  HB      5.13            #peak  1025
 46 PHE  HA     49 ALA  HB      3.60            #peak  1026
 32 TYR  HD     49 ALA  HB      3.35            #peak    42
 46 PHE  HD     49 ALA  HB      5.50            #peak  1029
 46 PHE  HE     49 ALA  HB      5.50            #peak  1029
 49 ALA  HB     50 LYS  H       3.83            #peak   478
 49 ALA  H      49 ALA  HB      3.42            #peak   468
 50 LYS  HA     53 LEU  HD1     4.98            #peak  1032
 49 ALA  HA     50 LYS  HA      5.50            #peak  1036
 50 LYS  HA     50 LYS  HE      5.50            #peak  1036
 50 LYS  H      50 LYS  HB3     3.93            #peak   479
 50 LYS  HA     50 LYS  HD      5.25            #peak  1048
 46 PHE  HD     50 LYS  HD      5.50            #peak  1049
 46 PHE  HE     50 LYS  HD      4.81            #peak   104
 46 PHE  HD     50 LYS  HE      5.50            #peak  1052
 46 PHE  HE     50 LYS  HE      5.50            #peak  1052
 50 LYS  H      50 LYS  HG2     5.50            #peak  1055
 50 LYS  H      50 LYS  HG3     5.50            #peak  1060
 48 LYS  HA     51 GLU  HB      4.66            #peak  1062
  9 GLU  HA      9 GLU  HG      4.13            #peak   104
 51 GLU  H      51 GLU  HG2     4.68            #peak   492
 51 GLU  H      51 GLU  HG3     4.68            #peak   491
 32 TYR  HE     52 HIS  HB3     5.44            #peak  1074
 50 LYS  HA     53 LEU  HB2     5.50            #peak  1084
 50 LYS  HA     53 LEU  HB3     5.50            #peak  1088
  4 LEU  HD2    34 ARG  HD3     5.50            #peak  1094
 53 LEU  HA     53 LEU  HD2     3.59            #peak  1095
  4 LEU  HD2    34 ARG  H       5.50            #peak  1097
 49 ALA  HB     53 LEU  HD1     4.92            #peak  1098
 49 ALA  HA     53 LEU  HD1     5.50            #peak  1099
 32 TYR  HB2    53 LEU  HD1     5.50            #peak  1100
 53 LEU  HA     53 LEU  HD1     5.50            #peak  1102
 52 HIS  HD2    53 LEU  HG      4.33            #peak    94
 53 LEU  H      53 LEU  HG      4.37            #peak   499
 56 LEU  HA     56 LEU  HD1     4.47            #peak  1109
 56 LEU  HA     56 LEU  HD2     3.83            #peak  1118
 57 GLU  H      57 GLU  HG2     5.50            #peak  1127
 35 GLU  H      36 ILE  HG2     5.50            #peak  1132
  4 LEU  HD2    34 ARG  HD2     5.50            #peak  1133
 31 ASN  HA     34 ARG  HD2     5.28            #peak  1134
 31 ASN  HA     34 ARG  HD3     5.28            #peak  1136
 43 ALA  HB     47 ARG  HD      5.50            #peak  1137
 44 ASP  HA     47 ARG  HD      4.72            #peak   924
  4 LEU  HD1    34 ARG  HG      4.89            #peak  1141
  4 LEU  HD2    34 ARG  HG      5.50            #peak  1141
  6 TRP  HB     41 VAL  HG1     5.50            #peak  1145
  7 THR  HG2    10 ALA  H       5.50            #peak  1146
  8 ALA  H       9 GLU  HA      5.50            #peak  1147
  9 GLU  HA     43 ALA  H       5.50            #peak  1147
 10 ALA  HA     46 PHE  HB3     5.32            #peak  1149
  6 TRP  HE3    11 GLU  HG2     5.50            #peak  1151
 13 MET  HE     43 ALA  HB      3.53            #peak  1152
 13 MET  HG2    43 ALA  HB      5.50            #peak  1153
 13 MET  HG3    43 ALA  HB      5.50            #peak  1154
 14 LEU  HB2    15 GLY  H       4.66            #peak   117
 14 LEU  HG     22 ARG  HE      5.50            #peak  1156
 17 VAL  HG1    22 ARG  HB2     5.50            #peak  1161
 17 VAL  HG1    22 ARG  HB3     5.50            #peak  1162
 17 VAL  HG1    22 ARG  HG      4.62            #peak   321
 14 LEU  HD1    22 ARG  HG      5.36            #peak  1163
 24 LYS  HA     25 VAL  HG2     5.50            #peak  1164
  5 SER  HB     40 VAL  HA      5.38            #peak  1167
 15 GLY  HA     22 ARG  HD      5.04            #peak   467
 18 PRO  HB2    20 PHE  HE      5.50            #peak  1175
 18 PRO  HB2    22 ARG  H       5.50            #peak  1175
 25 VAL  HG1    46 PHE  HZ      4.32            #peak  1176
 32 TYR  HB3    49 ALA  HB      5.13            #peak  1025
 32 TYR  HB3    53 LEU  HD2     5.50            #peak  1182
 32 TYR  HB3    53 LEU  HD1     5.50            #peak  1182
 32 TYR  H      32 TYR  HB3     4.06            #peak  1185
 32 TYR  HD     33 ALA  HB      5.50            #peak  1187
 33 ALA  HB     36 ILE  H       5.50            #peak  1188
  9 GLU  HB2    10 ALA  H       4.26            #peak    59
 41 VAL  HG1    45 VAL  HG1     3.94            #peak   948
 42 THR  HB     44 ASP  H       3.55            #peak   419
 42 THR  HG2    45 VAL  HB      5.50            #peak  1196
 13 MET  HE     46 PHE  HB3     4.51            #peak  1131
 56 LEU  H      56 LEU  HG      5.26            #peak  1201
 29 THR  HG2    46 PHE  H       5.50            #peak  1203
 38 GLU  HB2    45 VAL  HG1     5.50            #peak  1211
 44 ASP  HA     47 ARG  H       4.65            #peak   456
 41 VAL  HG2    45 VAL  HG2     5.01            #peak  1217
 32 TYR  HE     52 HIS  HB2     5.44            #peak  1223
  4 LEU  HB2     6 TRP  HD1     4.79            #peak     3
  5 SER  HA      6 TRP  HD1     3.97            #peak     5
  6 TRP  HA      6 TRP  HD1     4.31            #peak     6
  6 TRP  HE3    10 ALA  HB      3.61            #peak     9
  6 TRP  HB      6 TRP  HE3     3.52            #peak    10
  6 TRP  HA      6 TRP  HE3     4.88            #peak    12
  6 TRP  HE3    11 GLU  H       4.38            #peak    14
  6 TRP  HH2    29 THR  HG2     4.13            #peak   628
  6 TRP  HH2    26 ARG  HA      4.33            #peak    18
  6 TRP  HH2    29 THR  HG1     4.46            #peak    19
  6 TRP  HH2    46 PHE  HE      4.35            #peak    21
  6 TRP  HH2    46 PHE  HD      5.26            #peak    21
  6 TRP  HZ2    41 VAL  HG2     4.28            #peak    23
  6 TRP  HZ2    14 LEU  HD2     5.39            #peak    23
  6 TRP  HZ2    26 ARG  HA      3.36            #peak    27
  6 TRP  HZ2    29 THR  HG1     3.14            #peak    28
  6 TRP  HZ2    29 THR  H       4.90            #peak   273
  6 TRP  HZ2    30 ASP  H       4.20            #peak    31
  6 TRP  HZ3    14 LEU  HD1     4.74            #peak    33
  6 TRP  HZ3    10 ALA  HB      4.97            #peak    34
  6 TRP  HZ3    46 PHE  HE      5.29            #peak    38
 32 TYR  HD     45 VAL  HG1     3.54            #peak    41
 29 THR  HB     32 TYR  HD      5.01            #peak    47
 32 TYR  HE     45 VAL  HG1     3.85            #peak    54
 32 TYR  HE     49 ALA  HB      4.61            #peak    55
 32 TYR  HE     33 ALA  HA      5.50            #peak    62
 19 PHE  HA     19 PHE  HD      4.42            #peak    67
 18 PRO  HA     19 PHE  HD      5.30            #peak    68
 19 PHE  HD     20 PHE  HA      5.50            #peak    68
 20 PHE  HA     20 PHE  HD      4.27            #peak   392
 20 PHE  H      20 PHE  HD      4.87            #peak    76
 13 MET  HE     46 PHE  HD      3.94            #peak   194
 46 PHE  HA     46 PHE  HD      4.00            #peak    85
  6 TRP  HZ3    46 PHE  HD      3.89            #peak    86
 46 PHE  HD     47 ARG  H       4.87            #peak   457
 46 PHE  H      46 PHE  HD      5.13            #peak   447
 14 LEU  HD1    46 PHE  HZ      4.01            #peak    90
 17 VAL  HG2    46 PHE  HZ      3.85            #peak    91
 14 LEU  HA     46 PHE  HZ      4.12            #peak    92
 52 HIS  HD2    53 LEU  HD2     3.85            #peak    93
  6 TRP  HZ2    41 VAL  HG1     4.53            #peak    96
  6 TRP  HH2    41 VAL  HG1     5.07            #peak    97
  6 TRP  HZ2    26 ARG  HG3     4.19            #peak    98
 18 PRO  HB2    20 PHE  HD      5.07            #peak    99
 46 PHE  HA     46 PHE  HE      4.76            #peak   106
  4 LEU  HD1    30 ASP  HB      4.93            #peak   645
  4 LEU  HD1    34 ARG  HB      4.57            #peak    36
  4 LEU  HD1    34 ARG  HD      5.34            #peak  1133
  4 LEU  HD2    34 ARG  HB      5.34            #peak    31
  4 LEU  HD2    39 PRO  HB      4.76            #peak  1212
  4 LEU  HD2    39 PRO  HG      5.35            #peak    31
  6 TRP  HB     11 GLU  HB      5.34            #peak  1170
  6 TRP  HB     11 GLU  HG      4.03            #peak   146
  6 TRP  HZ3    14 LEU  HB      3.90            #peak    35
  6 TRP  HZ2    26 ARG  HB      4.64            #peak    26
  6 TRP  HZ2    26 ARG  HG      3.58            #peak    98
  6 TRP  HH2    14 LEU  HB      4.65            #peak    17
  6 TRP  HH2    26 ARG  HG      5.34            #peak   569
  7 THR  HG1     9 GLU  HB      4.75            #peak   108
  9 GLU  H       9 GLU  HB      3.31            #peak    49
  9 GLU  HB     42 THR  HA      5.00            #peak   698
  9 GLU  HB     43 ALA  H       5.31            #peak   404
  9 GLU  HB     43 ALA  HB      4.38            #peak  1169
 10 ALA  HA     13 MET  HB      4.02            #peak   117
 10 ALA  HA     13 MET  HG      4.92            #peak  1148
 11 GLU  H      11 GLU  HB      3.56            #peak    72
 11 GLU  HA     14 LEU  HB      5.28            #peak   231
 11 GLU  HB     12 LYS  H       3.98            #peak    84
 11 GLU  HG     12 LYS  H       5.34            #peak    85
 12 LYS  H      12 LYS  HG      4.00            #peak    82
 12 LYS  H      13 MET  HG      5.34            #peak    85
 12 LYS  HA     12 LYS  HG      3.74            #peak   156
 12 LYS  HB     13 MET  HG      5.34            #peak   198
 12 LYS  HG     13 MET  H       5.07            #peak    89
 13 MET  H      13 MET  HB      3.33            #peak    90
 13 MET  H      13 MET  HG      3.50            #peak    94
 13 MET  HA     13 MET  HG      3.71            #peak   179
 13 MET  HA     16 LYS  HG      5.34            #peak   282
 13 MET  HB     14 LEU  H       4.00            #peak   103
 13 MET  HB     46 PHE  HD      4.68            #peak   189
 13 MET  HB     46 PHE  HE      5.34            #peak   189
 13 MET  HG     46 PHE  HD      5.34            #peak   202
 13 MET  HG     46 PHE  HE      5.34            #peak   202
 14 LEU  H      14 LEU  HB      3.46            #peak   104
 14 LEU  HB     15 GLY  H       3.88            #peak   118
 14 LEU  HB     46 PHE  HE      4.54            #peak    89
 14 LEU  HD2    26 ARG  HB      4.51            #peak   531
 14 LEU  HD2    26 ARG  HG      4.89            #peak   562
 14 LEU  HD2    26 ARG  HD      4.42            #peak   548
 15 GLY  HA     16 LYS  HG      5.34            #peak   282
 16 LYS  H      16 LYS  HB      3.44            #peak   127
 16 LYS  H      16 LYS  HG      3.82            #peak   126
 16 LYS  HA     16 LYS  HG      3.74            #peak   268
 16 LYS  HB     16 LYS  HE      4.74            #peak  1012
 16 LYS  HB     17 VAL  H       4.35            #peak   138
 16 LYS  HB     17 VAL  HB      4.78            #peak   300
 16 LYS  HB     17 VAL  HG2     4.56            #peak   310
 16 LYS  HG     17 VAL  H       4.68            #peak   137
 17 VAL  HB     22 ARG  HB      4.57            #peak   299
 17 VAL  HG1    22 ARG  HB      4.66            #peak  1161
 19 PHE  HB     20 PHE  H       4.30            #peak   159
 19 PHE  HD     22 ARG  HB      5.34            #peak   460
 20 PHE  H      20 PHE  HB      3.64            #peak   160
 20 PHE  HB     21 VAL  HG1     4.61            #peak   431
 20 PHE  HB     22 ARG  H       5.34            #peak   183
 21 VAL  HG2    22 ARG  HB      5.34            #peak   419
 22 ARG  HB     22 ARG  HE      4.37            #peak   192
 22 ARG  HB     23 LYS  H       4.29            #peak   198
 23 LYS  H      23 LYS  HG      4.70            #peak   531
 23 LYS  HA     26 ARG  HD      5.34            #peak   482
 23 LYS  HG     24 LYS  H       5.34            #peak   497
 24 LYS  HB     28 ASN  HD2     5.34            #peak   542
 24 LYS  HG     28 ASN  HD2     4.76            #peak   541
 25 VAL  HA     28 ASN  HB      3.94            #peak   502
 25 VAL  HA     28 ASN  HD2     4.95            #peak   543
 25 VAL  HG1    28 ASN  HB      5.34            #peak   512
 25 VAL  HG1    28 ASN  HD2     5.34            #peak   540
 25 VAL  HG2    28 ASN  HD2     5.34            #peak   540
 26 ARG  H      26 ARG  HG      5.03            #peak   225
 26 ARG  H      26 ARG  HD      5.34            #peak   229
 26 ARG  H      28 ASN  HB      5.34            #peak   230
 26 ARG  HA     26 ARG  HD      4.83            #peak   545
 26 ARG  HB     26 ARG  HE      5.34            #peak   240
 26 ARG  HB     27 LYS  H       3.88            #peak   245
 26 ARG  HG     27 LYS  H       4.58            #peak   244
 26 ARG  HG     30 ASP  H       5.34            #peak   547
 27 LYS  HA     30 ASP  HB      3.79            #peak   575
 27 LYS  HB     27 LYS  HE      4.19            #peak   586
 27 LYS  HG     27 LYS  HE      3.34            #peak   584
 28 ASN  H      28 ASN  HB      3.41            #peak   254
 28 ASN  H      28 ASN  HD2     5.34            #peak   539
 28 ASN  HA     31 ASN  HB      3.20            #peak   592
 28 ASN  HB     29 THR  H       3.99            #peak   268
 28 ASN  HB     29 THR  HG2     5.34            #peak   512
 28 ASN  HB     53 LEU  HD1     4.64            #peak  1099
 28 ASN  HB     53 LEU  HD2     4.36            #peak  1092
 28 ASN  HD2    53 LEU  HD1     5.34            #peak   262
 28 ASN  HD2    53 LEU  HD2     5.34            #peak   262
 29 THR  HB     30 ASP  HB      5.34            #peak   614
 29 THR  HB     32 TYR  HB      4.05            #peak   615
 30 ASP  H      30 ASP  HB      3.39            #peak   276
 30 ASP  HB     31 ASN  H       3.94            #peak   283
 31 ASN  H      31 ASN  HB      3.29            #peak   284
 31 ASN  HA     34 ARG  HB      4.40            #peak   107
 31 ASN  HB     32 TYR  H       4.29            #peak   301
 31 ASN  HB     34 ARG  HB      5.10            #peak  1180
 32 TYR  H      32 TYR  HB      3.45            #peak   302
 32 TYR  HA     35 GLU  HB      4.32            #peak   660
 32 TYR  HA     35 GLU  HG      5.23            #peak   710
 32 TYR  HB     33 ALA  H       3.62            #peak   313
 32 TYR  HB     33 ALA  HB      5.20            #peak  1181
 32 TYR  HB     34 ARG  H       5.34            #peak   323
 32 TYR  HB     49 ALA  HB      4.36            #peak  1025
 32 TYR  HB     53 LEU  HD1     4.85            #peak  1100
 32 TYR  HD     35 GLU  HB      4.83            #peak    43
 32 TYR  HD     36 ILE  HG1     5.34            #peak   100
 32 TYR  HD     48 LYS  HB      5.34            #peak    43
 32 TYR  HE     48 LYS  HB      3.33            #peak    59
 32 TYR  HE     48 LYS  HG      4.69            #peak    56
 32 TYR  HE     52 HIS  HB      4.72            #peak  1223
 33 ALA  HA     36 ILE  HG1     3.80            #peak   675
 33 ALA  HB     36 ILE  HG1     4.23            #peak   745
 34 ARG  H      34 ARG  HB      3.24            #peak   322
 34 ARG  H      34 ARG  HD      5.34            #peak   323
 34 ARG  H      36 ILE  HG1     5.34            #peak   319
 35 GLU  H      35 GLU  HB      3.32            #peak   333
 35 GLU  H      35 GLU  HG      4.18            #peak   334
 35 GLU  HB     36 ILE  H       3.98            #peak   342
 35 GLU  HB     36 ILE  HG2     4.19            #peak   754
 35 GLU  HB     36 ILE  HG1     4.87            #peak  1208
 36 ILE  H      36 ILE  HG1     3.59            #peak   341
 36 ILE  HG1    37 GLY  H       4.78            #peak   350
 36 ILE  HG1    38 GLU  H       3.98            #peak   359
 36 ILE  HG1    38 GLU  HG      4.39            #peak   785
 36 ILE  HD1    38 GLU  HG      3.70            #peak   727
 38 GLU  H      38 GLU  HG      4.05            #peak   362
 38 GLU  HG     40 VAL  H       5.34            #peak   782
 38 GLU  HG     45 VAL  HG1     5.34            #peak   778
 38 GLU  HG     45 VAL  HG2     4.27            #peak   779
 39 PRO  HB     40 VAL  HG2     4.80            #peak   840
 39 PRO  HG     40 VAL  H       4.50            #peak   813
 39 PRO  HG     40 VAL  HG2     3.90            #peak   840
 44 ASP  H      44 ASP  HB      3.41            #peak   416
 44 ASP  HB     45 VAL  HG2     5.27            #peak   930
 45 VAL  HA     48 LYS  HB      4.04            #peak   937
 45 VAL  HA     48 LYS  HD      5.06            #peak   936
 47 ARG  H      47 ARG  HG      4.52            #peak   451
 47 ARG  HA     47 ARG  HG      3.68            #peak   989
 47 ARG  HA     50 LYS  HG      5.34            #peak   988
 48 LYS  H      48 LYS  HG      4.06            #peak   461
 48 LYS  H      48 LYS  HD      5.30            #peak   461
 48 LYS  HB     48 LYS  HD      3.29            #peak  1142
 48 LYS  HB     48 LYS  HE      4.24            #peak  1012
 48 LYS  HB     49 ALA  H       3.84            #peak   469
 50 LYS  H      50 LYS  HB      3.42            #peak   479
 50 LYS  HB     50 LYS  HE      5.34            #peak  1043
 50 LYS  HB     51 GLU  H       3.78            #peak   489
 50 LYS  HG     51 GLU  H       5.34            #peak  1055
 51 GLU  H      51 GLU  HG      4.00            #peak   492
 52 HIS  H      52 HIS  HB      3.67            #peak   247
 52 HIS  HB     53 LEU  H       4.02            #peak   501
 53 LEU  H      53 LEU  HB      3.61            #peak   499
 53 LEU  HB     54 GLY  H       4.27            #peak   508
 53 LEU  HB     54 GLY  HA      5.34            #peak  1107
 53 LEU  HB     55 GLY  H       5.34            #peak   513
 55 GLY  HA     56 LEU  HB      5.34            #peak  1107
 56 LEU  H      56 LEU  HB      3.67            #peak   516
 57 GLU  H      57 GLU  HG      4.81            #peak   522

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1  11.694 -13.286  -3.446
    2    H2   MET   1           H2       MET   1  11.364 -14.164  -4.861
    3    H3   MET   1           H3       MET   1  11.256 -14.921  -3.344
    4    HA   MET   1           HA       MET   1   9.545 -12.701  -4.288
    5    HB2  MET   1           HB2      MET   1   9.105 -14.843  -5.443
    6    HB3  MET   1           HB3      MET   1   8.887 -15.629  -3.886
    7    HG2  MET   1           HG2      MET   1   6.959 -14.209  -3.429
    8    HG3  MET   1           HG3      MET   1   7.189 -13.393  -4.975
    9    HE1  MET   1           HE1      MET   1   4.644 -13.878  -5.543
   10    HE2  MET   1           HE2      MET   1   4.413 -14.765  -4.034
   11    HE3  MET   1           HE3      MET   1   3.929 -15.491  -5.567
   12    H    GLY   2           H        GLY   2   9.590 -11.469  -2.471
   13    HA2  GLY   2           HA2      GLY   2   8.371 -12.711  -0.089
   14    HA3  GLY   2           HA3      GLY   2   9.791 -11.685   0.076
   15    H    GLU   3           H        GLU   3   7.524 -10.960  -2.379
   16    HA   GLU   3           HA       GLU   3   6.673  -8.586  -0.877
   17    HB2  GLU   3           HB2      GLU   3   6.532  -8.982  -3.871
   18    HB3  GLU   3           HB3      GLU   3   6.312  -7.485  -2.980
   19    HG2  GLU   3           HG2      GLU   3   8.424  -7.225  -3.838
   20    HG3  GLU   3           HG3      GLU   3   8.763  -7.859  -2.230
   21    H    LEU   4           H        LEU   4   4.455  -7.955  -0.986
   22    HA   LEU   4           HA       LEU   4   2.615 -10.162  -1.245
   23    HB2  LEU   4           HB2      LEU   4   2.166  -7.242  -0.646
   24    HB3  LEU   4           HB3      LEU   4   0.901  -8.455  -0.645
   25    HG   LEU   4           HG       LEU   4   3.269  -8.352   1.224
   26   HD11  LEU   4          HD11      LEU   4   1.591  -7.923   2.925
   27   HD12  LEU   4          HD12      LEU   4   0.319  -7.977   1.706
   28   HD13  LEU   4          HD13      LEU   4   1.522  -6.689   1.667
   29   HD21  LEU   4          HD21      LEU   4   2.227 -10.262   2.337
   30   HD22  LEU   4          HD22      LEU   4   2.659 -10.658   0.672
   31   HD23  LEU   4          HD23      LEU   4   0.980 -10.314   1.090
   32    H    SER   5           H        SER   5   0.431  -9.555  -2.377
   33    HA   SER   5           HA       SER   5   1.088  -8.997  -5.148
   34    HB2  SER   5           HB2      SER   5  -1.598  -9.718  -3.949
   35    HB3  SER   5           HB3      SER   5  -1.126  -9.825  -5.644
   36    HG   SER   5           HG       SER   5   0.622 -11.280  -4.642
   37    H    TRP   6           H        TRP   6   0.891  -7.033  -6.007
   38    HA   TRP   6           HA       TRP   6  -0.747  -5.057  -4.573
   39    HB2  TRP   6           HB2      TRP   6   1.781  -4.868  -6.132
   40    HB3  TRP   6           HB3      TRP   6   0.687  -3.489  -6.164
   41    HD1  TRP   6           HD1      TRP   6   2.593  -5.652  -3.575
   42    HE1  TRP   6           HE1      TRP   6   3.094  -4.169  -1.528
   43    HE3  TRP   6           HE3      TRP   6   0.131  -1.417  -5.020
   44    HZ2  TRP   6           HZ2      TRP   6   2.507  -1.553  -0.642
   45    HZ3  TRP   6           HZ3      TRP   6   0.145   0.530  -3.517
   46    HH2  TRP   6           HH2      TRP   6   1.311   0.460  -1.374
   47    H    THR   7           H        THR   7  -2.420  -4.113  -5.520
   48    HA   THR   7           HA       THR   7  -3.107  -5.009  -8.217
   49    HB   THR   7           HB       THR   7  -5.386  -4.111  -7.642
   50    HG1  THR   7           HG1      THR   7  -4.363  -3.983  -4.977
   51   HG21  THR   7          HG21      THR   7  -5.962  -5.958  -6.136
   52   HG22  THR   7          HG22      THR   7  -4.251  -6.205  -5.790
   53   HG23  THR   7          HG23      THR   7  -4.870  -6.486  -7.417
   54    H    ALA   8           H        ALA   8  -4.037  -3.502  -9.733
   55    HA   ALA   8           HA       ALA   8  -2.513  -1.189 -10.111
   56    HB1  ALA   8           HB1      ALA   8  -5.183  -1.866 -11.336
   57    HB2  ALA   8           HB2      ALA   8  -3.613  -2.404 -11.930
   58    HB3  ALA   8           HB3      ALA   8  -4.023  -0.689 -11.950
   59    H    GLU   9           H        GLU   9  -5.446  -1.699  -8.359
   60    HA   GLU   9           HA       GLU   9  -6.413   0.952  -8.305
   61    HB2  GLU   9           HB2      GLU   9  -6.792  -1.376  -6.422
   62    HB3  GLU   9           HB3      GLU   9  -7.663   0.146  -6.280
   63    HG2  GLU   9           HG2      GLU   9  -8.796  -0.182  -8.305
   64    HG3  GLU   9           HG3      GLU   9  -7.705  -1.476  -8.800
   65    H    ALA  10           H        ALA  10  -4.343  -0.872  -6.071
   66    HA   ALA  10           HA       ALA  10  -4.003   1.315  -4.268
   67    HB1  ALA  10           HB1      ALA  10  -3.760  -1.010  -3.538
   68    HB2  ALA  10           HB2      ALA  10  -2.298  -0.078  -3.212
   69    HB3  ALA  10           HB3      ALA  10  -2.347  -1.191  -4.577
   70    H    GLU  11           H        GLU  11  -2.101  -0.041  -6.920
   71    HA   GLU  11           HA       GLU  11   0.161   1.602  -6.522
   72    HB2  GLU  11           HB2      GLU  11  -0.766   0.144  -8.998
   73    HB3  GLU  11           HB3      GLU  11   0.815   0.894  -8.810
   74    HG2  GLU  11           HG2      GLU  11   1.206  -0.592  -6.847
   75    HG3  GLU  11           HG3      GLU  11  -0.306  -1.411  -7.234
   76    H    LYS  12           H        LYS  12  -2.825   2.083  -8.290
   77    HA   LYS  12           HA       LYS  12  -2.083   4.307  -9.829
   78    HB2  LYS  12           HB2      LYS  12  -4.181   3.196 -10.226
   79    HB3  LYS  12           HB3      LYS  12  -4.739   3.559  -8.600
   80    HG2  LYS  12           HG2      LYS  12  -4.853   5.911  -9.122
   81    HG3  LYS  12           HG3      LYS  12  -4.175   5.619 -10.723
   82    HD2  LYS  12           HD2      LYS  12  -6.739   4.357  -9.778
   83    HD3  LYS  12           HD3      LYS  12  -6.688   5.915 -10.605
   84    HE2  LYS  12           HE2      LYS  12  -5.678   4.891 -12.547
   85    HE3  LYS  12           HE3      LYS  12  -5.574   3.341 -11.716
   86    HZ1  LYS  12           HZ1      LYS  12  -8.156   4.712 -12.197
   87    HZ2  LYS  12           HZ2      LYS  12  -7.891   3.092 -11.765
   88    HZ3  LYS  12           HZ3      LYS  12  -7.477   3.634 -13.316
   89    H    MET  13           H        MET  13  -3.044   4.028  -6.461
   90    HA   MET  13           HA       MET  13  -3.068   6.881  -6.042
   91    HB2  MET  13           HB2      MET  13  -3.212   4.542  -4.141
   92    HB3  MET  13           HB3      MET  13  -3.234   6.217  -3.605
   93    HG2  MET  13           HG2      MET  13  -5.265   6.613  -4.883
   94    HG3  MET  13           HG3      MET  13  -5.235   4.948  -5.461
   95    HE1  MET  13           HE1      MET  13  -5.936   2.894  -2.243
   96    HE2  MET  13           HE2      MET  13  -4.367   3.288  -2.944
   97    HE3  MET  13           HE3      MET  13  -5.714   2.848  -3.990
   98    H    LEU  14           H        LEU  14  -0.829   4.225  -5.550
   99    HA   LEU  14           HA       LEU  14   1.096   5.691  -4.069
  100    HB2  LEU  14           HB2      LEU  14   0.979   3.232  -4.107
  101    HB3  LEU  14           HB3      LEU  14   1.454   3.236  -5.792
  102    HG   LEU  14           HG       LEU  14   3.626   4.261  -5.138
  103   HD11  LEU  14          HD11      LEU  14   4.278   4.210  -2.779
  104   HD12  LEU  14          HD12      LEU  14   2.637   3.735  -2.339
  105   HD13  LEU  14          HD13      LEU  14   2.934   5.315  -3.064
  106   HD21  LEU  14          HD21      LEU  14   4.580   2.221  -4.200
  107   HD22  LEU  14          HD22      LEU  14   3.422   1.851  -5.476
  108   HD23  LEU  14          HD23      LEU  14   2.966   1.647  -3.785
  109    H    GLY  15           H        GLY  15   0.421   5.327  -7.464
  110    HA2  GLY  15           HA2      GLY  15   2.879   6.317  -8.477
  111    HA3  GLY  15           HA3      GLY  15   1.347   6.270  -9.340
  112    H    LYS  16           H        LYS  16   0.395   7.876  -6.801
  113    HA   LYS  16           HA       LYS  16   0.891  10.491  -7.986
  114    HB2  LYS  16           HB2      LYS  16  -0.819   9.687  -5.624
  115    HB3  LYS  16           HB3      LYS  16  -0.789  11.280  -6.367
  116    HG2  LYS  16           HG2      LYS  16  -1.718   8.727  -7.666
  117    HG3  LYS  16           HG3      LYS  16  -2.741  10.041  -7.085
  118    HD2  LYS  16           HD2      LYS  16  -1.685  11.557  -8.713
  119    HD3  LYS  16           HD3      LYS  16  -0.708  10.214  -9.310
  120    HE2  LYS  16           HE2      LYS  16  -3.723  10.332  -9.343
  121    HE3  LYS  16           HE3      LYS  16  -2.675  10.665 -10.721
  122    HZ1  LYS  16           HZ1      LYS  16  -2.727   8.075  -9.271
  123    HZ2  LYS  16           HZ2      LYS  16  -1.911   8.419 -10.715
  124    HZ3  LYS  16           HZ3      LYS  16  -3.608   8.392 -10.683
  125    H    VAL  17           H        VAL  17   2.500   8.561  -5.980
  126    HA   VAL  17           HA       VAL  17   3.373  10.664  -4.122
  127    HB   VAL  17           HB       VAL  17   3.572   7.650  -3.963
  128   HG11  VAL  17          HG11      VAL  17   4.481   7.977  -1.710
  129   HG12  VAL  17          HG12      VAL  17   4.518   9.719  -1.986
  130   HG13  VAL  17          HG13      VAL  17   5.540   8.650  -2.948
  131   HG21  VAL  17          HG21      VAL  17   1.340   8.482  -3.534
  132   HG22  VAL  17          HG22      VAL  17   1.971   9.625  -2.350
  133   HG23  VAL  17          HG23      VAL  17   2.068   7.892  -2.041
  134    HA   PRO  18           HA       PRO  18   7.170  11.096  -6.443
  135    HB2  PRO  18           HB2      PRO  18   8.252  11.551  -3.700
  136    HB3  PRO  18           HB3      PRO  18   8.465  12.511  -5.168
  137    HG2  PRO  18           HG2      PRO  18   6.800  13.310  -3.256
  138    HG3  PRO  18           HG3      PRO  18   6.389  13.520  -4.969
  139    HD2  PRO  18           HD2      PRO  18   5.344  11.551  -2.993
  140    HD3  PRO  18           HD3      PRO  18   4.518  12.330  -4.357
  141    H    PHE  19           H        PHE  19   8.919   9.853  -6.926
  142    HA   PHE  19           HA       PHE  19   8.793   7.163  -6.254
  143    HB2  PHE  19           HB2      PHE  19  10.932   6.916  -7.459
  144    HB3  PHE  19           HB3      PHE  19   9.772   7.901  -8.341
  145    HD1  PHE  19           HD2      PHE  19  10.143  10.287  -8.637
  146    HD2  PHE  19           HD1      PHE  19  12.966   7.863  -6.571
  147    HE1  PHE  19           HE2      PHE  19  11.821  12.073  -8.842
  148    HE2  PHE  19           HE1      PHE  19  14.651   9.647  -6.775
  149    HZ   PHE  19           HZ       PHE  19  14.078  11.755  -7.911
  150    H    PHE  20           H        PHE  20  10.593   9.696  -4.642
  151    HA   PHE  20           HA       PHE  20  12.384   7.821  -3.388
  152    HB2  PHE  20           HB2      PHE  20  13.258   9.807  -2.168
  153    HB3  PHE  20           HB3      PHE  20  13.318   9.946  -3.921
  154    HD1  PHE  20           HD1      PHE  20  11.685  11.130  -0.862
  155    HD2  PHE  20           HD2      PHE  20  12.004  11.568  -5.078
  156    HE1  PHE  20           HE1      PHE  20  10.489  13.268  -0.724
  157    HE2  PHE  20           HE2      PHE  20  10.809  13.708  -4.950
  158    HZ   PHE  20           HZ       PHE  20  10.047  14.568  -2.770
  159    H    VAL  21           H        VAL  21   9.243   8.807  -2.756
  160    HA   VAL  21           HA       VAL  21   9.540   7.865   0.018
  161    HB   VAL  21           HB       VAL  21   7.322   9.091   0.442
  162   HG11  VAL  21          HG11      VAL  21   8.495  11.143   1.009
  163   HG12  VAL  21          HG12      VAL  21   9.826  10.689  -0.055
  164   HG13  VAL  21          HG13      VAL  21   9.487   9.734   1.387
  165   HG21  VAL  21          HG21      VAL  21   6.954  11.083  -0.930
  166   HG22  VAL  21          HG22      VAL  21   6.785   9.606  -1.880
  167   HG23  VAL  21          HG23      VAL  21   8.252  10.578  -2.011
  168    H    ARG  22           H        ARG  22   8.463   7.013  -2.968
  169    HA   ARG  22           HA       ARG  22   6.021   5.739  -2.448
  170    HB2  ARG  22           HB2      ARG  22   8.210   5.180  -4.431
  171    HB3  ARG  22           HB3      ARG  22   6.795   4.142  -4.323
  172    HG2  ARG  22           HG2      ARG  22   5.381   6.130  -4.722
  173    HG3  ARG  22           HG3      ARG  22   6.852   7.069  -4.979
  174    HD2  ARG  22           HD2      ARG  22   7.478   5.516  -6.798
  175    HD3  ARG  22           HD3      ARG  22   5.946   4.675  -6.573
  176    HE   ARG  22           HE       ARG  22   5.590   7.475  -7.042
  177   HH11  ARG  22          HH11      ARG  22   6.095   4.363  -8.586
  178   HH12  ARG  22          HH12      ARG  22   5.471   4.890 -10.123
  179   HH21  ARG  22          HH21      ARG  22   4.762   8.160  -9.067
  180   HH22  ARG  22          HH22      ARG  22   4.714   7.034 -10.397
  181    H    LYS  23           H        LYS  23   9.343   4.714  -1.992
  182    HA   LYS  23           HA       LYS  23   8.716   2.012  -1.420
  183    HB2  LYS  23           HB2      LYS  23  11.190   3.536  -0.591
  184    HB3  LYS  23           HB3      LYS  23  11.032   1.793  -0.743
  185    HG2  LYS  23           HG2      LYS  23  10.915   3.793  -2.989
  186    HG3  LYS  23           HG3      LYS  23  12.258   2.713  -2.615
  187    HD2  LYS  23           HD2      LYS  23  10.787   0.781  -3.046
  188    HD3  LYS  23           HD3      LYS  23   9.484   1.891  -3.478
  189    HE2  LYS  23           HE2      LYS  23  10.538   1.098  -5.492
  190    HE3  LYS  23           HE3      LYS  23  10.922   2.806  -5.276
  191    HZ1  LYS  23           HZ1      LYS  23  12.693   0.488  -4.727
  192    HZ2  LYS  23           HZ2      LYS  23  13.068   2.085  -4.292
  193    HZ3  LYS  23           HZ3      LYS  23  12.892   1.671  -5.924
  194    H    LYS  24           H        LYS  24   8.983   4.921   0.465
  195    HA   LYS  24           HA       LYS  24   9.028   3.838   3.052
  196    HB2  LYS  24           HB2      LYS  24   9.463   6.202   2.598
  197    HB3  LYS  24           HB3      LYS  24   7.813   6.418   2.040
  198    HG2  LYS  24           HG2      LYS  24   6.990   5.941   4.295
  199    HG3  LYS  24           HG3      LYS  24   8.656   5.748   4.851
  200    HD2  LYS  24           HD2      LYS  24   9.143   8.058   4.223
  201    HD3  LYS  24           HD3      LYS  24   7.493   8.254   3.633
  202    HE2  LYS  24           HE2      LYS  24   8.219   7.583   6.479
  203    HE3  LYS  24           HE3      LYS  24   7.899   9.214   5.895
  204    HZ1  LYS  24           HZ1      LYS  24   5.669   8.400   5.198
  205    HZ2  LYS  24           HZ2      LYS  24   5.920   8.379   6.872
  206    HZ3  LYS  24           HZ3      LYS  24   5.997   6.936   5.992
  207    H    VAL  25           H        VAL  25   6.343   4.749   0.932
  208    HA   VAL  25           HA       VAL  25   4.335   3.907   2.791
  209    HB   VAL  25           HB       VAL  25   4.051   4.441  -0.169
  210   HG11  VAL  25          HG11      VAL  25   2.187   3.184   0.755
  211   HG12  VAL  25          HG12      VAL  25   1.693   4.833   0.374
  212   HG13  VAL  25          HG13      VAL  25   2.007   4.371   2.045
  213   HG21  VAL  25          HG21      VAL  25   4.988   6.376   0.990
  214   HG22  VAL  25          HG22      VAL  25   3.675   6.317   2.164
  215   HG23  VAL  25          HG23      VAL  25   3.330   6.686   0.476
  216    H    ARG  26           H        ARG  26   5.664   2.565  -0.230
  217    HA   ARG  26           HA       ARG  26   3.849   0.434  -0.445
  218    HB2  ARG  26           HB2      ARG  26   5.316   1.341  -2.273
  219    HB3  ARG  26           HB3      ARG  26   6.661   0.475  -1.544
  220    HG2  ARG  26           HG2      ARG  26   5.647  -1.633  -1.987
  221    HG3  ARG  26           HG3      ARG  26   4.132  -0.867  -2.466
  222    HD2  ARG  26           HD2      ARG  26   5.359   0.221  -4.343
  223    HD3  ARG  26           HD3      ARG  26   6.777  -0.731  -3.904
  224    HE   ARG  26           HE       ARG  26   5.315  -2.730  -4.339
  225   HH11  ARG  26          HH11      ARG  26   4.801   0.332  -5.965
  226   HH12  ARG  26          HH12      ARG  26   3.977  -0.385  -7.313
  227   HH21  ARG  26          HH21      ARG  26   4.225  -3.660  -6.122
  228   HH22  ARG  26          HH22      ARG  26   3.638  -2.636  -7.403
  229    H    LYS  27           H        LYS  27   7.083   0.541   1.020
  230    HA   LYS  27           HA       LYS  27   7.119  -2.234   1.666
  231    HB2  LYS  27           HB2      LYS  27   9.193  -0.978   1.504
  232    HB3  LYS  27           HB3      LYS  27   8.686   0.081   2.812
  233    HG2  LYS  27           HG2      LYS  27   8.802  -1.738   4.388
  234    HG3  LYS  27           HG3      LYS  27   9.178  -2.875   3.096
  235    HD2  LYS  27           HD2      LYS  27  11.229  -2.364   4.175
  236    HD3  LYS  27           HD3      LYS  27  11.240  -1.512   2.634
  237    HE2  LYS  27           HE2      LYS  27  10.464  -0.234   5.251
  238    HE3  LYS  27           HE3      LYS  27  12.098  -0.204   4.598
  239    HZ1  LYS  27           HZ1      LYS  27  11.196   1.790   3.897
  240    HZ2  LYS  27           HZ2      LYS  27   9.671   1.125   3.582
  241    HZ3  LYS  27           HZ3      LYS  27  10.971   0.801   2.534
  242    H    ASN  28           H        ASN  28   6.010   0.659   3.303
  243    HA   ASN  28           HA       ASN  28   5.644  -0.519   5.860
  244    HB2  ASN  28           HB2      ASN  28   5.682   2.003   5.150
  245    HB3  ASN  28           HB3      ASN  28   3.964   1.761   4.863
  246   HD21  ASN  28          HD21      ASN  28   5.310   3.468   6.776
  247   HD22  ASN  28          HD22      ASN  28   4.728   2.991   8.333
  248    H    THR  29           H        THR  29   3.460   0.083   3.110
  249    HA   THR  29           HA       THR  29   1.175  -1.108   4.239
  250    HB   THR  29           HB       THR  29   0.590  -1.544   1.759
  251    HG1  THR  29           HG1      THR  29   2.901  -1.218   1.164
  252   HG21  THR  29          HG21      THR  29  -0.383   0.260   3.058
  253   HG22  THR  29          HG22      THR  29  -0.001   0.812   1.427
  254   HG23  THR  29          HG23      THR  29   1.043   1.256   2.778
  255    H    ASP  30           H        ASP  30   3.893  -2.456   2.442
  256    HA   ASP  30           HA       ASP  30   2.874  -5.021   1.985
  257    HB2  ASP  30           HB2      ASP  30   5.036  -4.113   1.056
  258    HB3  ASP  30           HB3      ASP  30   5.754  -4.342   2.647
  259    H    ASN  31           H        ASN  31   4.692  -3.696   4.729
  260    HA   ASN  31           HA       ASN  31   4.532  -6.086   6.273
  261    HB2  ASN  31           HB2      ASN  31   5.233  -3.238   6.946
  262    HB3  ASN  31           HB3      ASN  31   5.111  -4.469   8.195
  263   HD21  ASN  31          HD21      ASN  31   6.312  -5.037   4.935
  264   HD22  ASN  31          HD22      ASN  31   7.942  -5.363   5.404
  265    H    TYR  32           H        TYR  32   2.443  -3.308   5.848
  266    HA   TYR  32           HA       TYR  32   0.954  -3.662   8.244
  267    HB2  TYR  32           HB2      TYR  32   0.960  -1.530   7.039
  268    HB3  TYR  32           HB3      TYR  32   0.183  -2.296   5.658
  269    HD1  TYR  32           HD1      TYR  32  -0.302  -1.393   9.213
  270    HD2  TYR  32           HD2      TYR  32  -2.170  -2.500   5.555
  271    HE1  TYR  32           HE1      TYR  32  -2.495  -0.863  10.177
  272    HE2  TYR  32           HE2      TYR  32  -4.373  -1.971   6.512
  273    HH   TYR  32           HH       TYR  32  -5.432  -1.777   8.701
  274    H    ALA  33           H        ALA  33   0.368  -4.603   4.872
  275    HA   ALA  33           HA       ALA  33  -2.141  -5.792   5.323
  276    HB1  ALA  33           HB1      ALA  33  -1.849  -6.824   3.137
  277    HB2  ALA  33           HB2      ALA  33  -0.138  -6.401   3.154
  278    HB3  ALA  33           HB3      ALA  33  -1.360  -5.129   3.101
  279    H    ARG  34           H        ARG  34   1.143  -7.121   5.406
  280    HA   ARG  34           HA       ARG  34   0.391  -9.819   5.798
  281    HB2  ARG  34           HB2      ARG  34   2.887  -8.433   6.801
  282    HB3  ARG  34           HB3      ARG  34   2.669 -10.167   6.585
  283    HG2  ARG  34           HG2      ARG  34   2.531  -9.933   4.233
  284    HG3  ARG  34           HG3      ARG  34   2.460  -8.178   4.359
  285    HD2  ARG  34           HD2      ARG  34   4.658  -8.419   3.827
  286    HD3  ARG  34           HD3      ARG  34   4.767  -8.522   5.583
  287    HE   ARG  34           HE       ARG  34   4.692 -11.030   5.183
  288   HH11  ARG  34          HH11      ARG  34   6.001  -8.735   2.891
  289   HH12  ARG  34          HH12      ARG  34   7.125  -9.873   2.202
  290   HH21  ARG  34          HH21      ARG  34   6.170 -12.530   4.298
  291   HH22  ARG  34          HH22      ARG  34   7.252 -12.021   3.029
  292    H    GLU  35           H        GLU  35   0.898  -7.121   7.978
  293    HA   GLU  35           HA       GLU  35   0.795  -8.563  10.375
  294    HB2  GLU  35           HB2      GLU  35   1.626  -6.273  10.284
  295    HB3  GLU  35           HB3      GLU  35   0.035  -5.690   9.818
  296    HG2  GLU  35           HG2      GLU  35  -0.863  -6.356  11.974
  297    HG3  GLU  35           HG3      GLU  35   0.710  -7.001  12.440
  298    H    ILE  36           H        ILE  36  -1.741  -7.064   8.416
  299    HA   ILE  36           HA       ILE  36  -3.794  -7.793  10.324
  300    HB   ILE  36           HB       ILE  36  -5.387  -6.774   8.796
  301   HG12  ILE  36          HG12      ILE  36  -3.032  -6.313   6.951
  302   HG13  ILE  36          HG13      ILE  36  -4.310  -7.492   6.676
  303   HG21  ILE  36          HG21      ILE  36  -4.198  -5.335  10.344
  304   HG22  ILE  36          HG22      ILE  36  -4.505  -4.482   8.832
  305   HG23  ILE  36          HG23      ILE  36  -2.896  -5.117   9.174
  306   HD11  ILE  36          HD11      ILE  36  -4.666  -4.507   6.824
  307   HD12  ILE  36          HD12      ILE  36  -5.947  -5.688   6.545
  308   HD13  ILE  36          HD13      ILE  36  -4.659  -5.485   5.357
  309    H    GLY  37           H        GLY  37  -2.293  -9.258   7.622
  310    HA2  GLY  37           HA2      GLY  37  -2.554 -11.577   7.197
  311    HA3  GLY  37           HA3      GLY  37  -4.173 -11.495   7.872
  312    H    GLU  38           H        GLU  38  -2.789  -9.368   5.428
  313    HA   GLU  38           HA       GLU  38  -4.738 -10.427   3.486
  314    HB2  GLU  38           HB2      GLU  38  -5.376  -8.200   4.281
  315    HB3  GLU  38           HB3      GLU  38  -3.786  -7.580   3.867
  316    HG2  GLU  38           HG2      GLU  38  -5.303  -6.893   2.180
  317    HG3  GLU  38           HG3      GLU  38  -4.258  -8.134   1.493
  318    HA   PRO  39           HA       PRO  39  -0.841 -11.167   1.338
  319    HB2  PRO  39           HB2      PRO  39  -2.480 -12.586  -0.612
  320    HB3  PRO  39           HB3      PRO  39  -1.239 -13.219   0.472
  321    HG2  PRO  39           HG2      PRO  39  -3.873 -13.775   0.780
  322    HG3  PRO  39           HG3      PRO  39  -2.743 -13.679   2.143
  323    HD2  PRO  39           HD2      PRO  39  -4.715 -11.642   1.170
  324    HD3  PRO  39           HD3      PRO  39  -4.315 -12.121   2.835
  325    H    VAL  40           H        VAL  40  -3.764  -9.732   0.114
  326    HA   VAL  40           HA       VAL  40  -2.277  -8.733  -2.231
  327    HB   VAL  40           HB       VAL  40  -5.255  -9.211  -2.052
  328   HG11  VAL  40          HG11      VAL  40  -3.518  -8.403  -4.379
  329   HG12  VAL  40          HG12      VAL  40  -4.685  -7.379  -3.544
  330   HG13  VAL  40          HG13      VAL  40  -5.238  -8.777  -4.466
  331   HG21  VAL  40          HG21      VAL  40  -4.074 -11.325  -2.089
  332   HG22  VAL  40          HG22      VAL  40  -3.116 -10.794  -3.470
  333   HG23  VAL  40          HG23      VAL  40  -4.851 -11.049  -3.649
  334    H    VAL  41           H        VAL  41  -1.785  -6.658  -1.971
  335    HA   VAL  41           HA       VAL  41  -3.288  -4.932  -0.224
  336    HB   VAL  41           HB       VAL  41  -1.012  -4.290  -2.117
  337   HG11  VAL  41          HG11      VAL  41  -2.267  -2.589   0.037
  338   HG12  VAL  41          HG12      VAL  41  -2.377  -2.314  -1.702
  339   HG13  VAL  41          HG13      VAL  41  -0.819  -2.180  -0.884
  340   HG21  VAL  41          HG21      VAL  41   0.335  -4.164  -0.060
  341   HG22  VAL  41          HG22      VAL  41  -0.329  -5.777  -0.324
  342   HG23  VAL  41          HG23      VAL  41  -1.061  -4.706   0.870
  343    H    THR  42           H        THR  42  -5.241  -4.349  -0.883
  344    HA   THR  42           HA       THR  42  -5.669  -3.571  -3.671
  345    HB   THR  42           HB       THR  42  -8.101  -3.557  -2.965
  346    HG1  THR  42           HG1      THR  42  -7.789  -5.196  -0.850
  347   HG21  THR  42          HG21      THR  42  -8.297  -6.009  -2.950
  348   HG22  THR  42          HG22      THR  42  -6.566  -6.137  -2.641
  349   HG23  THR  42          HG23      THR  42  -7.140  -5.451  -4.160
  350    H    ALA  43           H        ALA  43  -7.596  -1.762  -3.630
  351    HA   ALA  43           HA       ALA  43  -6.363   0.635  -2.750
  352    HB1  ALA  43           HB1      ALA  43  -8.439   1.727  -3.461
  353    HB2  ALA  43           HB2      ALA  43  -9.214   0.150  -3.618
  354    HB3  ALA  43           HB3      ALA  43  -7.866   0.581  -4.672
  355    H    ASP  44           H        ASP  44  -8.871  -1.444  -1.450
  356    HA   ASP  44           HA       ASP  44  -9.686   0.246   0.671
  357    HB2  ASP  44           HB2      ASP  44 -11.102  -1.588  -0.016
  358    HB3  ASP  44           HB3      ASP  44  -9.837  -2.761   0.338
  359    H    VAL  45           H        VAL  45  -7.309  -2.385   0.472
  360    HA   VAL  45           HA       VAL  45  -6.505  -2.307   3.173
  361    HB   VAL  45           HB       VAL  45  -4.900  -3.156   0.752
  362   HG11  VAL  45          HG11      VAL  45  -4.457  -3.732   3.681
  363   HG12  VAL  45          HG12      VAL  45  -3.449  -2.713   2.654
  364   HG13  VAL  45          HG13      VAL  45  -3.549  -4.446   2.347
  365   HG21  VAL  45          HG21      VAL  45  -6.977  -4.407   0.997
  366   HG22  VAL  45          HG22      VAL  45  -6.574  -4.770   2.674
  367   HG23  VAL  45          HG23      VAL  45  -5.586  -5.424   1.369
  368    H    PHE  46           H        PHE  46  -5.208  -0.692   0.282
  369    HA   PHE  46           HA       PHE  46  -3.093   0.669   1.536
  370    HB2  PHE  46           HB2      PHE  46  -3.524   0.437  -0.956
  371    HB3  PHE  46           HB3      PHE  46  -4.731   1.704  -0.790
  372    HD1  PHE  46           HD2      PHE  46  -3.992   4.013  -0.089
  373    HD2  PHE  46           HD1      PHE  46  -1.240   0.929  -1.116
  374    HE1  PHE  46           HE2      PHE  46  -2.234   5.698  -0.427
  375    HE2  PHE  46           HE1      PHE  46   0.517   2.611  -1.459
  376    HZ   PHE  46           HZ       PHE  46   0.023   4.998  -1.115
  377    H    ARG  47           H        ARG  47  -6.486   1.473   1.091
  378    HA   ARG  47           HA       ARG  47  -6.478   4.091   2.098
  379    HB2  ARG  47           HB2      ARG  47  -8.338   2.862   0.882
  380    HB3  ARG  47           HB3      ARG  47  -8.702   2.075   2.407
  381    HG2  ARG  47           HG2      ARG  47 -10.218   3.902   2.071
  382    HG3  ARG  47           HG3      ARG  47  -9.134   4.289   3.410
  383    HD2  ARG  47           HD2      ARG  47  -8.282   5.162   0.718
  384    HD3  ARG  47           HD3      ARG  47  -9.674   5.994   1.410
  385    HE   ARG  47           HE       ARG  47  -7.941   6.092   3.445
  386   HH11  ARG  47          HH11      ARG  47  -7.471   6.809   0.034
  387   HH12  ARG  47          HH12      ARG  47  -6.304   8.051   0.335
  388   HH21  ARG  47          HH21      ARG  47  -6.438   7.735   3.830
  389   HH22  ARG  47          HH22      ARG  47  -5.702   8.587   2.491
  390    H    LYS  48           H        LYS  48  -7.163   1.005   3.734
  391    HA   LYS  48           HA       LYS  48  -7.502   2.059   6.321
  392    HB2  LYS  48           HB2      LYS  48  -6.697  -0.687   5.363
  393    HB3  LYS  48           HB3      LYS  48  -6.983  -0.308   7.056
  394    HG2  LYS  48           HG2      LYS  48  -9.267   0.167   6.658
  395    HG3  LYS  48           HG3      LYS  48  -9.031   0.145   4.909
  396    HD2  LYS  48           HD2      LYS  48  -8.560  -2.224   4.964
  397    HD3  LYS  48           HD3      LYS  48  -8.659  -2.232   6.726
  398    HE2  LYS  48           HE2      LYS  48 -10.978  -1.804   6.697
  399    HE3  LYS  48           HE3      LYS  48 -10.952  -1.367   4.988
  400    HZ1  LYS  48           HZ1      LYS  48 -10.518  -3.620   4.401
  401    HZ2  LYS  48           HZ2      LYS  48 -11.875  -3.597   5.419
  402    HZ3  LYS  48           HZ3      LYS  48 -10.366  -4.087   6.025
  403    H    ALA  49           H        ALA  49  -4.656   0.833   4.634
  404    HA   ALA  49           HA       ALA  49  -2.853   0.987   6.791
  405    HB1  ALA  49           HB1      ALA  49  -2.257   1.311   3.852
  406    HB2  ALA  49           HB2      ALA  49  -2.393  -0.229   4.699
  407    HB3  ALA  49           HB3      ALA  49  -1.100   0.896   5.119
  408    H    LYS  50           H        LYS  50  -3.742   3.312   4.272
  409    HA   LYS  50           HA       LYS  50  -1.915   5.318   4.979
  410    HB2  LYS  50           HB2      LYS  50  -3.218   5.233   2.856
  411    HB3  LYS  50           HB3      LYS  50  -4.659   5.675   3.761
  412    HG2  LYS  50           HG2      LYS  50  -3.663   7.585   2.599
  413    HG3  LYS  50           HG3      LYS  50  -3.684   7.803   4.349
  414    HD2  LYS  50           HD2      LYS  50  -1.354   7.253   4.502
  415    HD3  LYS  50           HD3      LYS  50  -1.300   6.815   2.795
  416    HE2  LYS  50           HE2      LYS  50  -0.338   9.031   3.188
  417    HE3  LYS  50           HE3      LYS  50  -1.771   9.107   2.165
  418    HZ1  LYS  50           HZ1      LYS  50  -1.829   9.628   5.088
  419    HZ2  LYS  50           HZ2      LYS  50  -3.062   9.927   3.961
  420    HZ3  LYS  50           HZ3      LYS  50  -1.639  10.839   3.924
  421    H    GLU  51           H        GLU  51  -5.318   4.852   5.941
  422    HA   GLU  51           HA       GLU  51  -5.473   7.035   7.694
  423    HB2  GLU  51           HB2      GLU  51  -7.010   4.540   7.293
  424    HB3  GLU  51           HB3      GLU  51  -7.172   5.298   8.870
  425    HG2  GLU  51           HG2      GLU  51  -8.930   6.084   7.477
  426    HG3  GLU  51           HG3      GLU  51  -7.798   7.408   7.733
  427    H    HIS  52           H        HIS  52  -4.253   3.786   8.156
  428    HA   HIS  52           HA       HIS  52  -4.045   3.901  10.984
  429    HB2  HIS  52           HB2      HIS  52  -4.074   1.793   9.690
  430    HB3  HIS  52           HB3      HIS  52  -2.498   2.195   9.021
  431    HD1  HIS  52           HD1      HIS  52  -4.170   0.948  12.111
  432    HD2  HIS  52           HD2      HIS  52  -0.330   1.782  10.751
  433    HE1  HIS  52           HE1      HIS  52  -2.611  -0.107  13.780
  434    HE2  HIS  52           HE2      HIS  52  -0.316   0.200  12.795
  435    H    LEU  53           H        LEU  53  -1.771   4.566   8.354
  436    HA   LEU  53           HA       LEU  53   0.415   5.089  10.153
  437    HB2  LEU  53           HB2      LEU  53   0.163   5.704   7.210
  438    HB3  LEU  53           HB3      LEU  53   1.648   5.709   8.140
  439    HG   LEU  53           HG       LEU  53  -0.057   3.277   7.619
  440   HD11  LEU  53          HD11      LEU  53   1.777   2.584   6.143
  441   HD12  LEU  53          HD12      LEU  53   2.549   4.151   6.387
  442   HD13  LEU  53          HD13      LEU  53   0.984   4.055   5.580
  443   HD21  LEU  53          HD21      LEU  53   1.159   3.132   9.721
  444   HD22  LEU  53          HD22      LEU  53   2.661   3.557   8.900
  445   HD23  LEU  53          HD23      LEU  53   1.849   2.037   8.525
  446    H    GLY  54           H        GLY  54  -1.856   6.996   8.266
  447    HA2  GLY  54           HA2      GLY  54  -1.922   9.211   9.905
  448    HA3  GLY  54           HA3      GLY  54  -0.609   9.509   8.773
  449    H    GLY  55           H        GLY  55  -4.041   8.658   8.944
  450    HA2  GLY  55           HA2      GLY  55  -4.458   9.531   6.195
  451    HA3  GLY  55           HA3      GLY  55  -5.669   8.834   7.267
  452    H    LEU  56           H        LEU  56  -3.781  11.736   6.630
  453    HA   LEU  56           HA       LEU  56  -5.580  13.284   8.332
  454    HB2  LEU  56           HB2      LEU  56  -3.985  15.039   8.284
  455    HB3  LEU  56           HB3      LEU  56  -3.108  13.549   8.565
  456    HG   LEU  56           HG       LEU  56  -3.305  14.848   5.848
  457   HD11  LEU  56          HD11      LEU  56  -1.135  15.120   7.918
  458   HD12  LEU  56          HD12      LEU  56  -2.245  16.390   7.402
  459   HD13  LEU  56          HD13      LEU  56  -1.069  15.729   6.264
  460   HD21  LEU  56          HD21      LEU  56  -1.369  13.479   5.331
  461   HD22  LEU  56          HD22      LEU  56  -2.710  12.464   5.862
  462   HD23  LEU  56          HD23      LEU  56  -1.376  12.814   6.962
  463    H    GLU  57           H        GLU  57  -5.193  12.470   5.082
  464    HA   GLU  57           HA       GLU  57  -6.101  14.891   3.893
  465    HB2  GLU  57           HB2      GLU  57  -6.611  13.478   1.909
  466    HB3  GLU  57           HB3      GLU  57  -4.975  13.269   2.508
  467    HG2  GLU  57           HG2      GLU  57  -6.996  11.386   3.541
  468    HG3  GLU  57           HG3      GLU  57  -6.571  11.236   1.837
  469    H    HIS  58           H        HIS  58  -8.174  15.498   3.254
  470    HA   HIS  58           HA       HIS  58 -10.333  13.929   4.487
  471    HB2  HIS  58           HB2      HIS  58 -11.552  16.091   4.850
  472    HB3  HIS  58           HB3      HIS  58 -10.098  15.900   5.818
  473    HD1  HIS  58           HD1      HIS  58 -11.704  18.095   3.333
  474    HD2  HIS  58           HD2      HIS  58  -7.916  17.575   4.980
  475    HE1  HIS  58           HE1      HIS  58 -10.428  20.192   2.782
  476    HE2  HIS  58           HE2      HIS  58  -8.113  19.826   3.716
  477    H    HIS  59           H        HIS  59 -11.041  12.847   2.786
  478    HA   HIS  59           HA       HIS  59 -12.579  14.364   0.837
  479    HB2  HIS  59           HB2      HIS  59 -10.340  13.924  -0.214
  480    HB3  HIS  59           HB3      HIS  59 -10.637  12.202  -0.029
  481    HD1  HIS  59           HD1      HIS  59 -10.248  12.417  -2.737
  482    HD2  HIS  59           HD2      HIS  59 -13.834  13.869  -1.201
  483    HE1  HIS  59           HE1      HIS  59 -11.821  12.550  -4.694
  484    HE2  HIS  59           HE2      HIS  59 -14.025  13.293  -3.724
  485    H    HIS  60           H        HIS  60 -13.966  13.406   2.614
  486    HA   HIS  60           HA       HIS  60 -14.303  10.560   2.687
  487    HB2  HIS  60           HB2      HIS  60 -14.644  12.095   4.643
  488    HB3  HIS  60           HB3      HIS  60 -16.104  12.687   3.860
  489    HD1  HIS  60           HD1      HIS  60 -18.194  11.494   4.457
  490    HD2  HIS  60           HD2      HIS  60 -14.811   9.181   5.180
  491    HE1  HIS  60           HE1      HIS  60 -19.028   9.405   5.588
  492    HE2  HIS  60           HE2      HIS  60 -16.971   7.990   5.970
  493    H    HIS  61           H        HIS  61 -15.668  13.127   0.828
  494    HA   HIS  61           HA       HIS  61 -17.897  11.404  -0.007
  495    HB2  HIS  61           HB2      HIS  61 -18.418  13.744   0.717
  496    HB3  HIS  61           HB3      HIS  61 -17.461  14.332  -0.639
  497    HD1  HIS  61           HD1      HIS  61 -18.762  14.794  -2.710
  498    HD2  HIS  61           HD2      HIS  61 -20.662  12.024  -0.253
  499    HE1  HIS  61           HE1      HIS  61 -20.973  14.311  -3.806
  500    HE2  HIS  61           HE2      HIS  61 -22.192  12.832  -2.170
  501    H    HIS  62           H        HIS  62 -16.972  10.012  -1.437
  502    HA   HIS  62           HA       HIS  62 -15.477  11.157  -3.695
  503    HB2  HIS  62           HB2      HIS  62 -14.395   9.293  -2.519
  504    HB3  HIS  62           HB3      HIS  62 -15.799   8.274  -2.813
  505    HD1  HIS  62           HD1      HIS  62 -15.898   7.053  -5.013
  506    HD2  HIS  62           HD2      HIS  62 -12.860   9.886  -4.866
  507    HE1  HIS  62           HE1      HIS  62 -14.522   6.681  -7.090
  508    HE2  HIS  62           HE2      HIS  62 -12.561   8.252  -6.846
  509    H    HIS  63           H        HIS  63 -18.225   9.103  -2.913
  510    HA   HIS  63           HA       HIS  63 -20.145   8.610  -3.994
  511    HB2  HIS  63           HB2      HIS  63 -20.246  11.087  -4.370
  512    HB3  HIS  63           HB3      HIS  63 -19.461  10.835  -5.927
  513    HD1  HIS  63           HD1      HIS  63 -20.926  10.103  -7.864
  514    HD2  HIS  63           HD2      HIS  63 -22.901  10.021  -4.204
  515    HE1  HIS  63           HE1      HIS  63 -23.353   9.729  -8.407
  516    HE2  HIS  63           HE2      HIS  63 -24.538   9.952  -6.203
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1   7.758 -14.800   0.195
    2    H2   MET   1           H2       MET   1   9.418 -14.469   0.194
    3    H3   MET   1           H3       MET   1   8.741 -15.386  -1.060
    4    HA   MET   1           HA       MET   1   9.123 -13.231  -1.910
    5    HB2  MET   1           HB2      MET   1   6.202 -13.570  -1.176
    6    HB3  MET   1           HB3      MET   1   6.809 -12.490  -2.421
    7    HG2  MET   1           HG2      MET   1   7.621 -14.369  -3.708
    8    HG3  MET   1           HG3      MET   1   7.125 -15.483  -2.434
    9    HE1  MET   1           HE1      MET   1   6.292 -15.765  -5.527
   10    HE2  MET   1           HE2      MET   1   4.603 -16.241  -5.351
   11    HE3  MET   1           HE3      MET   1   5.828 -16.912  -4.273
   12    H    GLY   2           H        GLY   2   9.872 -11.334  -1.262
   13    HA2  GLY   2           HA2      GLY   2   9.051 -10.261   1.321
   14    HA3  GLY   2           HA3      GLY   2  10.383  -9.685   0.328
   15    H    GLU   3           H        GLU   3   7.478 -10.207  -1.331
   16    HA   GLU   3           HA       GLU   3   6.476  -7.511  -0.925
   17    HB2  GLU   3           HB2      GLU   3   6.384  -7.082  -3.370
   18    HB3  GLU   3           HB3      GLU   3   8.024  -7.164  -2.750
   19    HG2  GLU   3           HG2      GLU   3   6.658  -9.478  -4.101
   20    HG3  GLU   3           HG3      GLU   3   7.610  -8.277  -4.969
   21    H    LEU   4           H        LEU   4   4.320  -7.440  -0.994
   22    HA   LEU   4           HA       LEU   4   2.875  -9.886  -1.614
   23    HB2  LEU   4           HB2      LEU   4   1.904  -7.232  -0.557
   24    HB3  LEU   4           HB3      LEU   4   0.913  -8.667  -0.739
   25    HG   LEU   4           HG       LEU   4   3.306  -8.430   1.085
   26   HD11  LEU   4          HD11      LEU   4   0.364  -8.476   1.726
   27   HD12  LEU   4          HD12      LEU   4   1.412  -7.059   1.806
   28   HD13  LEU   4          HD13      LEU   4   1.689  -8.425   2.888
   29   HD21  LEU   4          HD21      LEU   4   1.254 -10.624   0.836
   30   HD22  LEU   4          HD22      LEU   4   2.614 -10.576   1.958
   31   HD23  LEU   4          HD23      LEU   4   2.906 -10.705   0.224
   32    H    SER   5           H        SER   5   0.646  -9.477  -2.708
   33    HA   SER   5           HA       SER   5   1.243  -8.581  -5.363
   34    HB2  SER   5           HB2      SER   5  -1.396  -9.548  -4.246
   35    HB3  SER   5           HB3      SER   5  -0.929  -9.480  -5.945
   36    HG   SER   5           HG       SER   5   0.152 -11.281  -5.732
   37    H    TRP   6           H        TRP   6   1.326  -6.445  -5.662
   38    HA   TRP   6           HA       TRP   6  -0.639  -4.705  -4.425
   39    HB2  TRP   6           HB2      TRP   6   1.879  -4.270  -5.988
   40    HB3  TRP   6           HB3      TRP   6   0.705  -2.960  -5.857
   41    HD1  TRP   6           HD1      TRP   6   2.638  -5.322  -3.444
   42    HE1  TRP   6           HE1      TRP   6   3.189  -3.971  -1.311
   43    HE3  TRP   6           HE3      TRP   6   0.312  -0.932  -4.639
   44    HZ2  TRP   6           HZ2      TRP   6   2.685  -1.384  -0.283
   45    HZ3  TRP   6           HZ3      TRP   6   0.390   0.928  -3.035
   46    HH2  TRP   6           HH2      TRP   6   1.554   0.705  -0.903
   47    H    THR   7           H        THR   7  -2.478  -4.175  -5.331
   48    HA   THR   7           HA       THR   7  -3.154  -5.045  -7.976
   49    HB   THR   7           HB       THR   7  -5.351  -3.949  -7.478
   50    HG1  THR   7           HG1      THR   7  -4.369  -3.547  -4.845
   51   HG21  THR   7          HG21      THR   7  -5.991  -5.515  -5.703
   52   HG22  THR   7          HG22      THR   7  -4.289  -5.796  -5.332
   53   HG23  THR   7          HG23      THR   7  -4.947  -6.294  -6.891
   54    H    ALA   8           H        ALA   8  -4.365  -3.469  -9.445
   55    HA   ALA   8           HA       ALA   8  -2.588  -1.407 -10.238
   56    HB1  ALA   8           HB1      ALA   8  -5.449  -1.855 -11.086
   57    HB2  ALA   8           HB2      ALA   8  -4.032  -2.607 -11.818
   58    HB3  ALA   8           HB3      ALA   8  -4.257  -0.861 -11.922
   59    H    GLU   9           H        GLU   9  -5.596  -1.465  -8.422
   60    HA   GLU   9           HA       GLU   9  -5.980   1.326  -8.253
   61    HB2  GLU   9           HB2      GLU   9  -7.005  -1.036  -6.754
   62    HB3  GLU   9           HB3      GLU   9  -7.268   0.571  -6.092
   63    HG2  GLU   9           HG2      GLU   9  -9.141  -0.316  -7.467
   64    HG3  GLU   9           HG3      GLU   9  -8.518   1.245  -7.993
   65    H    ALA  10           H        ALA  10  -4.333  -0.963  -6.106
   66    HA   ALA  10           HA       ALA  10  -3.643   0.900  -4.102
   67    HB1  ALA  10           HB1      ALA  10  -2.006  -0.755  -3.379
   68    HB2  ALA  10           HB2      ALA  10  -2.185  -1.617  -4.909
   69    HB3  ALA  10           HB3      ALA  10  -3.538  -1.531  -3.782
   70    H    GLU  11           H        GLU  11  -1.797  -0.362  -6.863
   71    HA   GLU  11           HA       GLU  11   0.477   1.244  -6.589
   72    HB2  GLU  11           HB2      GLU  11  -0.812  -0.119  -8.936
   73    HB3  GLU  11           HB3      GLU  11   0.645   0.844  -9.135
   74    HG2  GLU  11           HG2      GLU  11   0.507  -1.369  -7.126
   75    HG3  GLU  11           HG3      GLU  11   0.888  -1.680  -8.819
   76    H    LYS  12           H        LYS  12  -2.644   1.915  -7.999
   77    HA   LYS  12           HA       LYS  12  -1.996   4.209  -9.491
   78    HB2  LYS  12           HB2      LYS  12  -4.142   2.856  -9.546
   79    HB3  LYS  12           HB3      LYS  12  -4.607   3.689  -8.072
   80    HG2  LYS  12           HG2      LYS  12  -4.483   5.835  -9.266
   81    HG3  LYS  12           HG3      LYS  12  -4.077   4.964 -10.747
   82    HD2  LYS  12           HD2      LYS  12  -6.634   4.795  -9.160
   83    HD3  LYS  12           HD3      LYS  12  -6.426   5.435 -10.792
   84    HE2  LYS  12           HE2      LYS  12  -5.904   3.254 -11.644
   85    HE3  LYS  12           HE3      LYS  12  -5.875   2.577 -10.015
   86    HZ1  LYS  12           HZ1      LYS  12  -8.222   3.551 -11.538
   87    HZ2  LYS  12           HZ2      LYS  12  -8.273   3.263  -9.867
   88    HZ3  LYS  12           HZ3      LYS  12  -7.939   1.988 -10.934
   89    H    MET  13           H        MET  13  -3.267   3.880  -6.178
   90    HA   MET  13           HA       MET  13  -3.109   6.659  -5.606
   91    HB2  MET  13           HB2      MET  13  -3.333   4.241  -3.816
   92    HB3  MET  13           HB3      MET  13  -3.298   5.886  -3.195
   93    HG2  MET  13           HG2      MET  13  -5.302   6.421  -4.479
   94    HG3  MET  13           HG3      MET  13  -5.338   4.774  -5.108
   95    HE1  MET  13           HE1      MET  13  -5.997   2.663  -3.724
   96    HE2  MET  13           HE2      MET  13  -6.156   2.654  -1.965
   97    HE3  MET  13           HE3      MET  13  -4.590   2.978  -2.708
   98    H    LEU  14           H        LEU  14  -0.922   3.950  -5.196
   99    HA   LEU  14           HA       LEU  14   1.076   5.310  -3.723
  100    HB2  LEU  14           HB2      LEU  14   0.933   2.857  -3.945
  101    HB3  LEU  14           HB3      LEU  14   1.349   2.995  -5.642
  102    HG   LEU  14           HG       LEU  14   3.539   4.007  -4.935
  103   HD11  LEU  14          HD11      LEU  14   2.896   4.734  -2.704
  104   HD12  LEU  14          HD12      LEU  14   4.266   3.625  -2.631
  105   HD13  LEU  14          HD13      LEU  14   2.649   3.058  -2.216
  106   HD21  LEU  14          HD21      LEU  14   2.933   1.219  -3.972
  107   HD22  LEU  14          HD22      LEU  14   4.534   1.863  -4.334
  108   HD23  LEU  14          HD23      LEU  14   3.346   1.680  -5.624
  109    H    GLY  15           H        GLY  15   0.179   5.322  -7.065
  110    HA2  GLY  15           HA2      GLY  15   2.653   6.280  -8.124
  111    HA3  GLY  15           HA3      GLY  15   1.091   6.318  -8.926
  112    H    LYS  16           H        LYS  16   0.158   7.757  -6.348
  113    HA   LYS  16           HA       LYS  16   0.566  10.417  -7.335
  114    HB2  LYS  16           HB2      LYS  16  -1.537   9.400  -6.231
  115    HB3  LYS  16           HB3      LYS  16  -0.693   9.655  -4.709
  116    HG2  LYS  16           HG2      LYS  16  -0.537  12.026  -5.188
  117    HG3  LYS  16           HG3      LYS  16  -1.363  11.778  -6.724
  118    HD2  LYS  16           HD2      LYS  16  -3.310  10.876  -5.459
  119    HD3  LYS  16           HD3      LYS  16  -2.489  11.320  -3.961
  120    HE2  LYS  16           HE2      LYS  16  -3.280  13.221  -6.166
  121    HE3  LYS  16           HE3      LYS  16  -4.148  12.998  -4.649
  122    HZ1  LYS  16           HZ1      LYS  16  -1.385  14.040  -4.972
  123    HZ2  LYS  16           HZ2      LYS  16  -2.126  13.730  -3.479
  124    HZ3  LYS  16           HZ3      LYS  16  -2.755  14.925  -4.510
  125    H    VAL  17           H        VAL  17   2.131   8.306  -5.227
  126    HA   VAL  17           HA       VAL  17   3.406  10.404  -3.651
  127    HB   VAL  17           HB       VAL  17   3.680   7.394  -3.524
  128   HG11  VAL  17          HG11      VAL  17   5.705   8.470  -2.729
  129   HG12  VAL  17          HG12      VAL  17   4.813   7.781  -1.373
  130   HG13  VAL  17          HG13      VAL  17   4.758   9.519  -1.673
  131   HG21  VAL  17          HG21      VAL  17   2.366   7.556  -1.472
  132   HG22  VAL  17          HG22      VAL  17   1.465   8.171  -2.857
  133   HG23  VAL  17          HG23      VAL  17   2.197   9.293  -1.711
  134    HA   PRO  18           HA       PRO  18   6.721  10.692  -6.602
  135    HB2  PRO  18           HB2      PRO  18   8.576  11.775  -4.854
  136    HB3  PRO  18           HB3      PRO  18   7.358  12.703  -5.732
  137    HG2  PRO  18           HG2      PRO  18   7.328  11.718  -2.915
  138    HG3  PRO  18           HG3      PRO  18   6.749  13.260  -3.572
  139    HD2  PRO  18           HD2      PRO  18   5.056  11.276  -2.930
  140    HD3  PRO  18           HD3      PRO  18   4.761  12.338  -4.322
  141    H    PHE  19           H        PHE  19   8.539   9.599  -7.156
  142    HA   PHE  19           HA       PHE  19   8.708   6.990  -6.234
  143    HB2  PHE  19           HB2      PHE  19   9.465   8.094  -8.467
  144    HB3  PHE  19           HB3      PHE  19  11.013   8.285  -7.648
  145    HD1  PHE  19           HD1      PHE  19   8.448   5.745  -8.472
  146    HD2  PHE  19           HD2      PHE  19  12.548   6.543  -7.665
  147    HE1  PHE  19           HE1      PHE  19   9.011   3.417  -9.059
  148    HE2  PHE  19           HE2      PHE  19  13.122   4.221  -8.249
  149    HZ   PHE  19           HZ       PHE  19  11.353   2.653  -8.949
  150    H    PHE  20           H        PHE  20  10.411   9.794  -5.115
  151    HA   PHE  20           HA       PHE  20  12.703   8.697  -3.997
  152    HB2  PHE  20           HB2      PHE  20  11.077  10.905  -2.725
  153    HB3  PHE  20           HB3      PHE  20  12.812  10.642  -2.589
  154    HD1  PHE  20           HD2      PHE  20  14.201  10.867  -4.733
  155    HD2  PHE  20           HD1      PHE  20  10.220  12.310  -4.338
  156    HE1  PHE  20           HE2      PHE  20  14.565  12.379  -6.638
  157    HE2  PHE  20           HE1      PHE  20  10.573  13.826  -6.248
  158    HZ   PHE  20           HZ       PHE  20  12.751  13.863  -7.400
  159    H    VAL  21           H        VAL  21   9.686   9.436  -2.250
  160    HA   VAL  21           HA       VAL  21  10.518   7.622  -0.118
  161    HB   VAL  21           HB       VAL  21   8.663   8.591   1.181
  162   HG11  VAL  21          HG11      VAL  21  10.489  10.625  -0.091
  163   HG12  VAL  21          HG12      VAL  21  10.860   9.610   1.304
  164   HG13  VAL  21          HG13      VAL  21   9.606  10.844   1.421
  165   HG21  VAL  21          HG21      VAL  21   7.448  10.542   0.302
  166   HG22  VAL  21          HG22      VAL  21   7.111   9.080  -0.623
  167   HG23  VAL  21          HG23      VAL  21   8.212  10.297  -1.268
  168    H    ARG  22           H        ARG  22   8.977   7.266  -2.919
  169    HA   ARG  22           HA       ARG  22   6.537   6.017  -2.299
  170    HB2  ARG  22           HB2      ARG  22   7.435   6.822  -4.580
  171    HB3  ARG  22           HB3      ARG  22   8.245   5.262  -4.659
  172    HG2  ARG  22           HG2      ARG  22   6.084   4.135  -4.458
  173    HG3  ARG  22           HG3      ARG  22   5.278   5.704  -4.401
  174    HD2  ARG  22           HD2      ARG  22   6.352   6.197  -6.632
  175    HD3  ARG  22           HD3      ARG  22   6.827   4.499  -6.683
  176    HE   ARG  22           HE       ARG  22   4.019   5.400  -6.530
  177   HH11  ARG  22          HH11      ARG  22   6.488   3.231  -7.734
  178   HH12  ARG  22          HH12      ARG  22   5.388   2.297  -8.695
  179   HH21  ARG  22          HH21      ARG  22   2.559   4.179  -7.814
  180   HH22  ARG  22          HH22      ARG  22   3.155   2.871  -8.787
  181    H    LYS  23           H        LYS  23   9.825   4.804  -2.553
  182    HA   LYS  23           HA       LYS  23   9.271   2.056  -2.350
  183    HB2  LYS  23           HB2      LYS  23  11.622   1.832  -1.634
  184    HB3  LYS  23           HB3      LYS  23  11.449   2.846  -3.058
  185    HG2  LYS  23           HG2      LYS  23  11.767   4.835  -1.757
  186    HG3  LYS  23           HG3      LYS  23  11.751   3.903  -0.258
  187    HD2  LYS  23           HD2      LYS  23  13.767   2.694  -1.048
  188    HD3  LYS  23           HD3      LYS  23  13.806   3.756  -2.459
  189    HE2  LYS  23           HE2      LYS  23  13.861   4.752   0.373
  190    HE3  LYS  23           HE3      LYS  23  15.319   4.407  -0.555
  191    HZ1  LYS  23           HZ1      LYS  23  14.704   6.756  -0.626
  192    HZ2  LYS  23           HZ2      LYS  23  13.218   6.364  -1.329
  193    HZ3  LYS  23           HZ3      LYS  23  14.659   6.060  -2.172
  194    H    LYS  24           H        LYS  24   9.665   4.576   0.063
  195    HA   LYS  24           HA       LYS  24   9.761   2.928   2.348
  196    HB2  LYS  24           HB2      LYS  24  10.351   5.352   2.319
  197    HB3  LYS  24           HB3      LYS  24   8.644   5.729   2.121
  198    HG2  LYS  24           HG2      LYS  24   8.178   4.648   4.278
  199    HG3  LYS  24           HG3      LYS  24   9.910   4.368   4.488
  200    HD2  LYS  24           HD2      LYS  24  10.290   6.806   4.354
  201    HD3  LYS  24           HD3      LYS  24   8.547   7.049   4.220
  202    HE2  LYS  24           HE2      LYS  24   8.213   6.061   6.410
  203    HE3  LYS  24           HE3      LYS  24   9.939   5.724   6.541
  204    HZ1  LYS  24           HZ1      LYS  24   8.597   8.368   6.531
  205    HZ2  LYS  24           HZ2      LYS  24  10.271   8.189   6.317
  206    HZ3  LYS  24           HZ3      LYS  24   9.541   7.676   7.762
  207    H    VAL  25           H        VAL  25   7.104   4.649   0.772
  208    HA   VAL  25           HA       VAL  25   5.068   3.802   2.507
  209    HB   VAL  25           HB       VAL  25   4.791   4.566  -0.406
  210   HG11  VAL  25          HG11      VAL  25   2.786   4.614   1.849
  211   HG12  VAL  25          HG12      VAL  25   2.794   3.492   0.488
  212   HG13  VAL  25          HG13      VAL  25   2.509   5.210   0.212
  213   HG21  VAL  25          HG21      VAL  25   4.357   6.831   0.421
  214   HG22  VAL  25          HG22      VAL  25   5.981   6.285   0.839
  215   HG23  VAL  25          HG23      VAL  25   4.712   6.294   2.063
  216    H    ARG  26           H        ARG  26   6.156   2.489  -0.623
  217    HA   ARG  26           HA       ARG  26   4.174   0.529  -0.888
  218    HB2  ARG  26           HB2      ARG  26   5.971   1.330  -2.578
  219    HB3  ARG  26           HB3      ARG  26   6.986   0.091  -1.850
  220    HG2  ARG  26           HG2      ARG  26   5.378  -1.618  -2.445
  221    HG3  ARG  26           HG3      ARG  26   4.295  -0.393  -3.112
  222    HD2  ARG  26           HD2      ARG  26   6.306   0.233  -4.605
  223    HD3  ARG  26           HD3      ARG  26   6.938  -1.349  -4.147
  224    HE   ARG  26           HE       ARG  26   4.335  -0.958  -5.498
  225   HH11  ARG  26          HH11      ARG  26   7.295  -2.795  -4.994
  226   HH12  ARG  26          HH12      ARG  26   6.919  -3.946  -6.243
  227   HH21  ARG  26          HH21      ARG  26   3.860  -2.453  -7.106
  228   HH22  ARG  26          HH22      ARG  26   4.976  -3.748  -7.459
  229    H    LYS  27           H        LYS  27   7.388   0.335   0.579
  230    HA   LYS  27           HA       LYS  27   7.200  -2.390   1.345
  231    HB2  LYS  27           HB2      LYS  27   9.338  -1.208   1.109
  232    HB3  LYS  27           HB3      LYS  27   8.920  -0.160   2.452
  233    HG2  LYS  27           HG2      LYS  27   9.063  -1.963   4.004
  234    HG3  LYS  27           HG3      LYS  27   9.220  -3.142   2.699
  235    HD2  LYS  27           HD2      LYS  27  11.387  -2.685   3.730
  236    HD3  LYS  27           HD3      LYS  27  11.358  -2.146   2.051
  237    HE2  LYS  27           HE2      LYS  27  10.856   0.155   2.878
  238    HE3  LYS  27           HE3      LYS  27  11.103  -0.435   4.521
  239    HZ1  LYS  27           HZ1      LYS  27  13.373  -1.038   3.915
  240    HZ2  LYS  27           HZ2      LYS  27  13.100   0.615   3.652
  241    HZ3  LYS  27           HZ3      LYS  27  13.124  -0.458   2.341
  242    H    ASN  28           H        ASN  28   6.112   0.583   2.773
  243    HA   ASN  28           HA       ASN  28   5.864  -0.400   5.450
  244    HB2  ASN  28           HB2      ASN  28   6.227   1.986   4.944
  245    HB3  ASN  28           HB3      ASN  28   4.675   2.054   4.124
  246   HD21  ASN  28          HD21      ASN  28   4.148   3.759   5.538
  247   HD22  ASN  28          HD22      ASN  28   3.623   3.432   7.153
  248    H    THR  29           H        THR  29   3.593   0.260   2.787
  249    HA   THR  29           HA       THR  29   1.282  -0.684   4.127
  250    HB   THR  29           HB       THR  29   1.345  -1.131   1.241
  251    HG1  THR  29           HG1      THR  29   2.632   0.664   1.131
  252   HG21  THR  29          HG21      THR  29  -0.719   0.168   1.347
  253   HG22  THR  29          HG22      THR  29  -0.385   0.555   3.034
  254   HG23  THR  29          HG23      THR  29  -0.706  -1.111   2.559
  255    H    ASP  30           H        ASP  30   3.738  -2.246   2.151
  256    HA   ASP  30           HA       ASP  30   2.599  -4.749   1.768
  257    HB2  ASP  30           HB2      ASP  30   4.750  -4.093   0.772
  258    HB3  ASP  30           HB3      ASP  30   5.494  -4.075   2.368
  259    H    ASN  31           H        ASN  31   4.665  -3.662   4.430
  260    HA   ASN  31           HA       ASN  31   4.257  -5.968   6.014
  261    HB2  ASN  31           HB2      ASN  31   5.304  -3.212   6.632
  262    HB3  ASN  31           HB3      ASN  31   5.104  -4.424   7.893
  263   HD21  ASN  31          HD21      ASN  31   6.889  -3.507   5.049
  264   HD22  ASN  31          HD22      ASN  31   8.141  -4.686   5.222
  265    H    TYR  32           H        TYR  32   2.365  -3.091   5.515
  266    HA   TYR  32           HA       TYR  32   0.843  -3.288   7.921
  267    HB2  TYR  32           HB2      TYR  32   0.801  -1.186   6.742
  268    HB3  TYR  32           HB3      TYR  32   0.210  -1.965   5.270
  269    HD1  TYR  32           HD1      TYR  32  -0.715  -1.404   8.839
  270    HD2  TYR  32           HD2      TYR  32  -2.091  -2.029   4.862
  271    HE1  TYR  32           HE1      TYR  32  -3.027  -1.052   9.590
  272    HE2  TYR  32           HE2      TYR  32  -4.411  -1.678   5.605
  273    HH   TYR  32           HH       TYR  32  -5.738  -1.754   7.597
  274    H    ALA  33           H        ALA  33   0.360  -4.442   4.612
  275    HA   ALA  33           HA       ALA  33  -2.160  -5.604   5.036
  276    HB1  ALA  33           HB1      ALA  33  -0.024  -6.421   3.074
  277    HB2  ALA  33           HB2      ALA  33  -1.255  -5.187   2.811
  278    HB3  ALA  33           HB3      ALA  33  -1.726  -6.876   2.999
  279    H    ARG  34           H        ARG  34   1.115  -6.856   5.419
  280    HA   ARG  34           HA       ARG  34   0.435  -9.509   6.108
  281    HB2  ARG  34           HB2      ARG  34   2.827  -7.958   7.121
  282    HB3  ARG  34           HB3      ARG  34   2.693  -9.702   6.918
  283    HG2  ARG  34           HG2      ARG  34   2.642  -9.493   4.547
  284    HG3  ARG  34           HG3      ARG  34   2.526  -7.738   4.662
  285    HD2  ARG  34           HD2      ARG  34   4.747  -7.860   4.287
  286    HD3  ARG  34           HD3      ARG  34   4.790  -8.114   6.028
  287    HE   ARG  34           HE       ARG  34   4.837 -10.567   5.472
  288   HH11  ARG  34          HH11      ARG  34   5.967  -8.161   3.179
  289   HH12  ARG  34          HH12      ARG  34   7.112  -9.237   2.441
  290   HH21  ARG  34          HH21      ARG  34   6.338 -11.983   4.489
  291   HH22  ARG  34          HH22      ARG  34   7.340 -11.413   3.191
  292    H    GLU  35           H        GLU  35   0.528  -6.527   7.900
  293    HA   GLU  35           HA       GLU  35   0.437  -7.663  10.487
  294    HB2  GLU  35           HB2      GLU  35   1.186  -5.369  10.145
  295    HB3  GLU  35           HB3      GLU  35  -0.392  -4.922   9.512
  296    HG2  GLU  35           HG2      GLU  35  -1.382  -5.432  11.714
  297    HG3  GLU  35           HG3      GLU  35   0.233  -5.774  12.329
  298    H    ILE  36           H        ILE  36  -2.018  -6.697   8.154
  299    HA   ILE  36           HA       ILE  36  -4.142  -7.359  10.052
  300    HB   ILE  36           HB       ILE  36  -5.694  -6.507   8.310
  301   HG12  ILE  36          HG12      ILE  36  -3.139  -5.738   6.875
  302   HG13  ILE  36          HG13      ILE  36  -4.288  -6.959   6.338
  303   HG21  ILE  36          HG21      ILE  36  -5.142  -4.160   8.639
  304   HG22  ILE  36          HG22      ILE  36  -3.498  -4.600   9.104
  305   HG23  ILE  36          HG23      ILE  36  -4.862  -5.081  10.117
  306   HD11  ILE  36          HD11      ILE  36  -4.832  -4.015   6.614
  307   HD12  ILE  36          HD12      ILE  36  -5.997  -5.231   6.091
  308   HD13  ILE  36          HD13      ILE  36  -4.570  -4.896   5.110
  309    H    GLY  37           H        GLY  37  -2.297  -9.033   7.907
  310    HA2  GLY  37           HA2      GLY  37  -2.517 -11.322   7.494
  311    HA3  GLY  37           HA3      GLY  37  -4.198 -11.223   7.988
  312    H    GLU  38           H        GLU  38  -3.181  -8.920   5.658
  313    HA   GLU  38           HA       GLU  38  -4.793 -10.290   3.642
  314    HB2  GLU  38           HB2      GLU  38  -3.702  -7.473   3.762
  315    HB3  GLU  38           HB3      GLU  38  -4.614  -8.120   2.406
  316    HG2  GLU  38           HG2      GLU  38  -5.635  -7.864   5.225
  317    HG3  GLU  38           HG3      GLU  38  -5.987  -6.757   3.899
  318    HA   PRO  39           HA       PRO  39  -0.989 -11.364   1.528
  319    HB2  PRO  39           HB2      PRO  39  -2.517 -12.892  -0.336
  320    HB3  PRO  39           HB3      PRO  39  -1.605 -13.488   1.049
  321    HG2  PRO  39           HG2      PRO  39  -4.369 -13.568   0.804
  322    HG3  PRO  39           HG3      PRO  39  -3.474 -13.696   2.328
  323    HD2  PRO  39           HD2      PRO  39  -4.859 -11.335   1.128
  324    HD3  PRO  39           HD3      PRO  39  -4.737 -11.832   2.832
  325    H    VAL  40           H        VAL  40  -3.767  -9.773   0.298
  326    HA   VAL  40           HA       VAL  40  -2.299  -8.975  -2.130
  327    HB   VAL  40           HB       VAL  40  -5.302  -9.243  -1.855
  328   HG11  VAL  40          HG11      VAL  40  -5.345  -8.855  -4.269
  329   HG12  VAL  40          HG12      VAL  40  -3.597  -8.618  -4.262
  330   HG13  VAL  40          HG13      VAL  40  -4.645  -7.487  -3.405
  331   HG21  VAL  40          HG21      VAL  40  -5.120 -11.144  -3.377
  332   HG22  VAL  40          HG22      VAL  40  -4.231 -11.435  -1.883
  333   HG23  VAL  40          HG23      VAL  40  -3.362 -11.000  -3.355
  334    H    VAL  41           H        VAL  41  -1.984  -6.844  -2.346
  335    HA   VAL  41           HA       VAL  41  -3.173  -5.077  -0.355
  336    HB   VAL  41           HB       VAL  41  -1.062  -4.440  -2.426
  337   HG11  VAL  41          HG11      VAL  41  -2.277  -2.472  -1.629
  338   HG12  VAL  41          HG12      VAL  41  -0.613  -2.475  -1.045
  339   HG13  VAL  41          HG13      VAL  41  -1.929  -2.927   0.039
  340   HG21  VAL  41          HG21      VAL  41  -0.277  -6.152  -0.876
  341   HG22  VAL  41          HG22      VAL  41  -0.747  -5.145   0.491
  342   HG23  VAL  41          HG23      VAL  41   0.545  -4.619  -0.585
  343    H    THR  42           H        THR  42  -5.198  -4.587  -0.944
  344    HA   THR  42           HA       THR  42  -5.795  -3.854  -3.704
  345    HB   THR  42           HB       THR  42  -8.143  -3.849  -2.972
  346    HG1  THR  42           HG1      THR  42  -8.449  -4.707  -0.722
  347   HG21  THR  42          HG21      THR  42  -7.126  -5.965  -3.697
  348   HG22  THR  42          HG22      THR  42  -8.356  -6.228  -2.461
  349   HG23  THR  42          HG23      THR  42  -6.646  -6.302  -2.033
  350    H    ALA  43           H        ALA  43  -7.403  -1.920  -3.902
  351    HA   ALA  43           HA       ALA  43  -6.325   0.467  -2.975
  352    HB1  ALA  43           HB1      ALA  43  -9.185  -0.101  -3.741
  353    HB2  ALA  43           HB2      ALA  43  -7.885   0.362  -4.838
  354    HB3  ALA  43           HB3      ALA  43  -8.452   1.497  -3.616
  355    H    ASP  44           H        ASP  44  -8.809  -1.601  -1.559
  356    HA   ASP  44           HA       ASP  44  -9.579   0.142   0.522
  357    HB2  ASP  44           HB2      ASP  44 -10.956  -1.773  -0.124
  358    HB3  ASP  44           HB3      ASP  44  -9.693  -2.878   0.406
  359    H    VAL  45           H        VAL  45  -7.247  -2.545   0.447
  360    HA   VAL  45           HA       VAL  45  -6.414  -2.415   3.104
  361    HB   VAL  45           HB       VAL  45  -4.796  -3.194   0.669
  362   HG11  VAL  45          HG11      VAL  45  -4.254  -3.723   3.592
  363   HG12  VAL  45          HG12      VAL  45  -3.314  -2.678   2.527
  364   HG13  VAL  45          HG13      VAL  45  -3.355  -4.418   2.243
  365   HG21  VAL  45          HG21      VAL  45  -6.805  -4.541   0.973
  366   HG22  VAL  45          HG22      VAL  45  -6.345  -4.869   2.644
  367   HG23  VAL  45          HG23      VAL  45  -5.358  -5.487   1.321
  368    H    PHE  46           H        PHE  46  -5.173  -0.683   0.263
  369    HA   PHE  46           HA       PHE  46  -3.094   0.665   1.651
  370    HB2  PHE  46           HB2      PHE  46  -3.207   0.353  -0.836
  371    HB3  PHE  46           HB3      PHE  46  -4.492   1.554  -0.880
  372    HD1  PHE  46           HD1      PHE  46  -0.910   0.995  -0.373
  373    HD2  PHE  46           HD2      PHE  46  -4.012   3.904  -0.570
  374    HE1  PHE  46           HE1      PHE  46   0.776   2.775  -0.565
  375    HE2  PHE  46           HE2      PHE  46  -2.329   5.686  -0.760
  376    HZ   PHE  46           HZ       PHE  46   0.065   5.126  -0.760
  377    H    ARG  47           H        ARG  47  -6.454   1.416   0.980
  378    HA   ARG  47           HA       ARG  47  -6.383   4.104   1.857
  379    HB2  ARG  47           HB2      ARG  47  -8.160   3.189   0.421
  380    HB3  ARG  47           HB3      ARG  47  -8.713   2.182   1.753
  381    HG2  ARG  47           HG2      ARG  47  -9.313   4.151   3.029
  382    HG3  ARG  47           HG3      ARG  47  -8.680   5.194   1.752
  383    HD2  ARG  47           HD2      ARG  47 -10.335   4.269   0.195
  384    HD3  ARG  47           HD3      ARG  47 -10.979   3.260   1.487
  385    HE   ARG  47           HE       ARG  47 -11.141   5.779   2.489
  386   HH11  ARG  47          HH11      ARG  47 -12.230   4.290  -0.482
  387   HH12  ARG  47          HH12      ARG  47 -13.667   5.264  -0.598
  388   HH21  ARG  47          HH21      ARG  47 -13.018   7.094   2.326
  389   HH22  ARG  47          HH22      ARG  47 -14.101   6.872   0.987
  390    H    LYS  48           H        LYS  48  -7.220   1.060   3.476
  391    HA   LYS  48           HA       LYS  48  -7.880   2.261   5.960
  392    HB2  LYS  48           HB2      LYS  48  -6.974  -0.564   5.397
  393    HB3  LYS  48           HB3      LYS  48  -7.712  -0.006   6.892
  394    HG2  LYS  48           HG2      LYS  48  -9.646   0.758   5.323
  395    HG3  LYS  48           HG3      LYS  48  -8.946  -0.419   4.211
  396    HD2  LYS  48           HD2      LYS  48 -10.619  -1.566   5.422
  397    HD3  LYS  48           HD3      LYS  48  -9.075  -2.089   6.103
  398    HE2  LYS  48           HE2      LYS  48 -10.754  -1.605   7.842
  399    HE3  LYS  48           HE3      LYS  48  -9.338  -0.559   7.962
  400    HZ1  LYS  48           HZ1      LYS  48 -11.565   0.556   8.208
  401    HZ2  LYS  48           HZ2      LYS  48 -11.812   0.270   6.555
  402    HZ3  LYS  48           HZ3      LYS  48 -10.524   1.250   7.062
  403    H    ALA  49           H        ALA  49  -4.895   1.122   4.529
  404    HA   ALA  49           HA       ALA  49  -3.198   1.203   6.723
  405    HB1  ALA  49           HB1      ALA  49  -2.463   0.468   4.509
  406    HB2  ALA  49           HB2      ALA  49  -1.397   1.721   5.150
  407    HB3  ALA  49           HB3      ALA  49  -2.589   2.124   3.913
  408    H    LYS  50           H        LYS  50  -4.404   3.837   4.700
  409    HA   LYS  50           HA       LYS  50  -2.904   5.931   5.828
  410    HB2  LYS  50           HB2      LYS  50  -5.716   6.113   4.740
  411    HB3  LYS  50           HB3      LYS  50  -4.547   7.417   4.860
  412    HG2  LYS  50           HG2      LYS  50  -3.146   6.349   3.191
  413    HG3  LYS  50           HG3      LYS  50  -4.268   4.987   3.105
  414    HD2  LYS  50           HD2      LYS  50  -4.802   6.374   1.264
  415    HD3  LYS  50           HD3      LYS  50  -6.052   6.681   2.471
  416    HE2  LYS  50           HE2      LYS  50  -4.316   8.572   3.192
  417    HE3  LYS  50           HE3      LYS  50  -3.871   8.438   1.492
  418    HZ1  LYS  50           HZ1      LYS  50  -6.550   9.079   2.601
  419    HZ2  LYS  50           HZ2      LYS  50  -6.249   8.794   0.955
  420    HZ3  LYS  50           HZ3      LYS  50  -5.530  10.119   1.730
  421    H    GLU  51           H        GLU  51  -5.932   4.411   6.787
  422    HA   GLU  51           HA       GLU  51  -6.624   6.255   8.834
  423    HB2  GLU  51           HB2      GLU  51  -7.391   3.336   8.573
  424    HB3  GLU  51           HB3      GLU  51  -8.189   4.520   9.594
  425    HG2  GLU  51           HG2      GLU  51  -8.893   5.756   7.602
  426    HG3  GLU  51           HG3      GLU  51  -8.100   4.557   6.581
  427    H    HIS  52           H        HIS  52  -4.950   3.133   8.845
  428    HA   HIS  52           HA       HIS  52  -4.674   3.056  11.693
  429    HB2  HIS  52           HB2      HIS  52  -4.811   1.001  10.404
  430    HB3  HIS  52           HB3      HIS  52  -3.357   1.427   9.515
  431    HD1  HIS  52           HD1      HIS  52  -4.293   0.825  13.173
  432    HD2  HIS  52           HD2      HIS  52  -1.176   0.196  10.492
  433    HE1  HIS  52           HE1      HIS  52  -2.567  -0.511  14.432
  434    HE2  HIS  52           HE2      HIS  52  -0.853  -1.124  12.686
  435    H    LEU  53           H        LEU  53  -2.441   3.780   9.021
  436    HA   LEU  53           HA       LEU  53  -0.178   4.157  10.707
  437    HB2  LEU  53           HB2      LEU  53  -0.716   5.142   7.904
  438    HB3  LEU  53           HB3      LEU  53   0.837   5.227   8.710
  439    HG   LEU  53           HG       LEU  53  -0.600   2.637   8.135
  440   HD11  LEU  53          HD11      LEU  53  -0.070   3.765   6.044
  441   HD12  LEU  53          HD12      LEU  53   0.983   2.370   6.283
  442   HD13  LEU  53          HD13      LEU  53   1.593   3.999   6.577
  443   HD21  LEU  53          HD21      LEU  53   2.240   3.259   8.948
  444   HD22  LEU  53          HD22      LEU  53   1.626   1.662   8.524
  445   HD23  LEU  53          HD23      LEU  53   1.007   2.493   9.952
  446    H    GLY  54           H        GLY  54  -2.583   6.324   9.304
  447    HA2  GLY  54           HA2      GLY  54  -3.320   8.289  10.415
  448    HA3  GLY  54           HA3      GLY  54  -1.779   8.354  11.259
  449    H    GLY  55           H        GLY  55  -3.213   8.632   8.037
  450    HA2  GLY  55           HA2      GLY  55  -0.998  10.370   7.214
  451    HA3  GLY  55           HA3      GLY  55  -2.217   9.679   6.153
  452    H    LEU  56           H        LEU  56  -2.505  11.814   5.262
  453    HA   LEU  56           HA       LEU  56  -3.570  13.890   6.974
  454    HB2  LEU  56           HB2      LEU  56  -2.135  14.022   4.713
  455    HB3  LEU  56           HB3      LEU  56  -3.736  14.081   4.010
  456    HG   LEU  56           HG       LEU  56  -2.650  16.025   6.051
  457   HD11  LEU  56          HD11      LEU  56  -2.608  17.611   4.215
  458   HD12  LEU  56          HD12      LEU  56  -3.157  16.356   3.105
  459   HD13  LEU  56          HD13      LEU  56  -1.576  16.222   3.873
  460   HD21  LEU  56          HD21      LEU  56  -4.652  17.346   5.540
  461   HD22  LEU  56          HD22      LEU  56  -5.058  15.790   6.262
  462   HD23  LEU  56          HD23      LEU  56  -5.252  16.033   4.525
  463    H    GLU  57           H        GLU  57  -5.235  12.203   7.607
  464    HA   GLU  57           HA       GLU  57  -7.479  12.123   5.707
  465    HB2  GLU  57           HB2      GLU  57  -7.140  10.372   8.139
  466    HB3  GLU  57           HB3      GLU  57  -8.229  10.131   6.783
  467    HG2  GLU  57           HG2      GLU  57  -5.234   9.852   6.775
  468    HG3  GLU  57           HG3      GLU  57  -6.428   8.563   6.648
  469    H    HIS  58           H        HIS  58  -9.651  12.047   6.848
  470    HA   HIS  58           HA       HIS  58  -9.664  13.582   9.350
  471    HB2  HIS  58           HB2      HIS  58 -11.420  14.075   6.933
  472    HB3  HIS  58           HB3      HIS  58 -11.747  14.745   8.528
  473    HD1  HIS  58           HD1      HIS  58 -10.136  16.614   9.388
  474    HD2  HIS  58           HD2      HIS  58  -9.398  15.345   5.490
  475    HE1  HIS  58           HE1      HIS  58  -8.587  18.326   8.397
  476    HE2  HIS  58           HE2      HIS  58  -8.272  17.627   5.992
  477    H    HIS  59           H        HIS  59 -11.751  13.300  10.539
  478    HA   HIS  59           HA       HIS  59 -12.278  10.452  10.521
  479    HB2  HIS  59           HB2      HIS  59 -11.854  11.741  12.640
  480    HB3  HIS  59           HB3      HIS  59 -13.410  12.531  12.404
  481    HD1  HIS  59           HD1      HIS  59 -14.924  11.558  14.091
  482    HD2  HIS  59           HD2      HIS  59 -12.578   8.653  12.263
  483    HE1  HIS  59           HE1      HIS  59 -15.717   9.360  15.024
  484    HE2  HIS  59           HE2      HIS  59 -14.166   7.639  14.033
  485    H    HIS  60           H        HIS  60 -13.518  10.064   8.746
  486    HA   HIS  60           HA       HIS  60 -16.084  11.398   8.445
  487    HB2  HIS  60           HB2      HIS  60 -14.637   9.287   6.848
  488    HB3  HIS  60           HB3      HIS  60 -16.318   9.693   6.532
  489    HD1  HIS  60           HD1      HIS  60 -12.919  10.657   5.680
  490    HD2  HIS  60           HD2      HIS  60 -16.649  12.498   5.728
  491    HE1  HIS  60           HE1      HIS  60 -12.691  12.683   4.217
  492    HE2  HIS  60           HE2      HIS  60 -15.030  13.598   4.031
  493    H    HIS  61           H        HIS  61 -18.055  10.063   8.238
  494    HA   HIS  61           HA       HIS  61 -18.264   8.199  10.415
  495    HB2  HIS  61           HB2      HIS  61 -20.258   9.082   8.317
  496    HB3  HIS  61           HB3      HIS  61 -20.643   7.947   9.612
  497    HD1  HIS  61           HD1      HIS  61 -21.522  11.129   8.970
  498    HD2  HIS  61           HD2      HIS  61 -19.369   9.515  12.144
  499    HE1  HIS  61           HE1      HIS  61 -21.732  12.787  10.852
  500    HE2  HIS  61           HE2      HIS  61 -20.228  11.898  12.668
  501    H    HIS  62           H        HIS  62 -18.355   6.033  10.352
  502    HA   HIS  62           HA       HIS  62 -17.918   4.767   7.737
  503    HB2  HIS  62           HB2      HIS  62 -16.139   3.361   8.740
  504    HB3  HIS  62           HB3      HIS  62 -15.713   5.066   8.717
  505    HD1  HIS  62           HD1      HIS  62 -16.529   2.245  11.061
  506    HD2  HIS  62           HD2      HIS  62 -15.446   6.266  11.228
  507    HE1  HIS  62           HE1      HIS  62 -15.894   2.687  13.457
  508    HE2  HIS  62           HE2      HIS  62 -15.179   5.105  13.523
  509    H    HIS  63           H        HIS  63 -17.679   2.218   8.333
  510    HA   HIS  63           HA       HIS  63 -20.224   1.551   9.583
  511    HB2  HIS  63           HB2      HIS  63 -18.234  -0.216   8.132
  512    HB3  HIS  63           HB3      HIS  63 -19.816  -0.724   8.718
  513    HD1  HIS  63           HD1      HIS  63 -18.487  -0.287   5.661
  514    HD2  HIS  63           HD2      HIS  63 -21.688   1.610   7.522
  515    HE1  HIS  63           HE1      HIS  63 -19.885   0.671   3.799
  516    HE2  HIS  63           HE2      HIS  63 -21.925   1.615   4.945
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1  13.079  -9.754  -5.350
    2    H2   MET   1           H2       MET   1  13.557 -10.459  -3.886
    3    H3   MET   1           H3       MET   1  12.904  -8.895  -3.894
    4    HA   MET   1           HA       MET   1  10.792  -9.763  -4.675
    5    HB2  MET   1           HB2      MET   1  11.802 -11.770  -5.783
    6    HB3  MET   1           HB3      MET   1  12.069 -12.466  -4.191
    7    HG2  MET   1           HG2      MET   1   9.685 -12.533  -3.785
    8    HG3  MET   1           HG3      MET   1   9.376 -11.741  -5.329
    9    HE1  MET   1           HE1      MET   1   7.910 -14.415  -4.543
   10    HE2  MET   1           HE2      MET   1   8.069 -15.355  -6.026
   11    HE3  MET   1           HE3      MET   1   7.702 -13.633  -6.111
   12    H    GLY   2           H        GLY   2   9.321  -9.713  -3.069
   13    HA2  GLY   2           HA2      GLY   2   9.046 -10.921  -0.723
   14    HA3  GLY   2           HA3      GLY   2  10.359  -9.810  -0.349
   15    H    GLU   3           H        GLU   3   7.142  -9.853  -1.824
   16    HA   GLU   3           HA       GLU   3   6.339  -7.534  -0.303
   17    HB2  GLU   3           HB2      GLU   3   5.653  -6.284  -2.355
   18    HB3  GLU   3           HB3      GLU   3   7.396  -6.435  -2.178
   19    HG2  GLU   3           HG2      GLU   3   7.342  -8.333  -3.770
   20    HG3  GLU   3           HG3      GLU   3   5.623  -8.033  -4.015
   21    H    LEU   4           H        LEU   4   3.984  -7.035  -0.787
   22    HA   LEU   4           HA       LEU   4   2.591  -9.577  -1.128
   23    HB2  LEU   4           HB2      LEU   4   1.612  -6.868  -0.230
   24    HB3  LEU   4           HB3      LEU   4   0.607  -8.302  -0.343
   25    HG   LEU   4           HG       LEU   4   3.000  -7.984   1.470
   26   HD11  LEU   4          HD11      LEU   4   1.331  -8.014   3.265
   27   HD12  LEU   4          HD12      LEU   4   0.048  -7.992   2.055
   28   HD13  LEU   4          HD13      LEU   4   1.149  -6.622   2.201
   29   HD21  LEU   4          HD21      LEU   4   2.704 -10.292   0.748
   30   HD22  LEU   4          HD22      LEU   4   1.007 -10.233   1.220
   31   HD23  LEU   4          HD23      LEU   4   2.267 -10.104   2.446
   32    H    SER   5           H        SER   5   0.270  -9.173  -2.225
   33    HA   SER   5           HA       SER   5   1.009  -8.551  -4.957
   34    HB2  SER   5           HB2      SER   5  -0.268 -10.609  -4.454
   35    HB3  SER   5           HB3      SER   5  -1.603  -9.623  -3.857
   36    HG   SER   5           HG       SER   5  -1.352  -8.619  -6.112
   37    H    TRP   6           H        TRP   6   1.141  -6.367  -5.139
   38    HA   TRP   6           HA       TRP   6  -1.008  -4.656  -4.260
   39    HB2  TRP   6           HB2      TRP   6   1.539  -4.171  -5.805
   40    HB3  TRP   6           HB3      TRP   6   0.357  -2.900  -5.510
   41    HD1  TRP   6           HD1      TRP   6   2.472  -5.395  -3.394
   42    HE1  TRP   6           HE1      TRP   6   3.125  -4.211  -1.198
   43    HE3  TRP   6           HE3      TRP   6   0.007  -0.980  -4.122
   44    HZ2  TRP   6           HZ2      TRP   6   2.632  -1.710   0.048
   45    HZ3  TRP   6           HZ3      TRP   6   0.154   0.757  -2.391
   46    HH2  TRP   6           HH2      TRP   6   1.439   0.398  -0.354
   47    H    THR   7           H        THR   7  -2.708  -3.997  -5.432
   48    HA   THR   7           HA       THR   7  -2.975  -5.029  -8.144
   49    HB   THR   7           HB       THR   7  -5.314  -4.221  -7.987
   50    HG1  THR   7           HG1      THR   7  -5.998  -3.471  -5.877
   51   HG21  THR   7          HG21      THR   7  -4.748  -6.491  -7.241
   52   HG22  THR   7          HG22      THR   7  -6.069  -5.808  -6.293
   53   HG23  THR   7          HG23      THR   7  -4.443  -5.874  -5.616
   54    H    ALA   8           H        ALA   8  -4.042  -3.557  -9.773
   55    HA   ALA   8           HA       ALA   8  -2.433  -1.346 -10.347
   56    HB1  ALA   8           HB1      ALA   8  -5.214  -1.956 -11.341
   57    HB2  ALA   8           HB2      ALA   8  -3.704  -2.528 -12.047
   58    HB3  ALA   8           HB3      ALA   8  -4.092  -0.809 -12.071
   59    H    GLU   9           H        GLU   9  -5.344  -1.611  -8.446
   60    HA   GLU   9           HA       GLU   9  -6.144   1.077  -8.369
   61    HB2  GLU   9           HB2      GLU   9  -6.292  -0.890  -6.080
   62    HB3  GLU   9           HB3      GLU   9  -7.294   0.533  -6.313
   63    HG2  GLU   9           HG2      GLU   9  -8.285  -0.513  -8.299
   64    HG3  GLU   9           HG3      GLU   9  -7.302  -1.951  -8.011
   65    H    ALA  10           H        ALA  10  -4.062  -0.764  -6.170
   66    HA   ALA  10           HA       ALA  10  -3.427   1.472  -4.540
   67    HB1  ALA  10           HB1      ALA  10  -3.408  -0.815  -3.689
   68    HB2  ALA  10           HB2      ALA  10  -1.851  -0.026  -3.445
   69    HB3  ALA  10           HB3      ALA  10  -2.051  -1.201  -4.744
   70    H    GLU  11           H        GLU  11  -1.815  -0.147  -7.223
   71    HA   GLU  11           HA       GLU  11   0.655   1.153  -7.109
   72    HB2  GLU  11           HB2      GLU  11  -0.928  -0.032  -9.371
   73    HB3  GLU  11           HB3      GLU  11   0.636   0.718  -9.651
   74    HG2  GLU  11           HG2      GLU  11   0.212  -1.514  -7.684
   75    HG3  GLU  11           HG3      GLU  11   0.639  -1.778  -9.375
   76    H    LYS  12           H        LYS  12  -2.382   2.161  -8.643
   77    HA   LYS  12           HA       LYS  12  -1.214   4.500  -9.812
   78    HB2  LYS  12           HB2      LYS  12  -4.080   3.650  -9.431
   79    HB3  LYS  12           HB3      LYS  12  -3.614   5.146 -10.231
   80    HG2  LYS  12           HG2      LYS  12  -2.399   3.884 -11.921
   81    HG3  LYS  12           HG3      LYS  12  -2.827   2.376 -11.106
   82    HD2  LYS  12           HD2      LYS  12  -5.177   2.775 -11.526
   83    HD3  LYS  12           HD3      LYS  12  -4.807   4.349 -12.236
   84    HE2  LYS  12           HE2      LYS  12  -3.540   3.250 -14.015
   85    HE3  LYS  12           HE3      LYS  12  -3.904   1.677 -13.305
   86    HZ1  LYS  12           HZ1      LYS  12  -5.367   2.290 -15.182
   87    HZ2  LYS  12           HZ2      LYS  12  -5.970   3.582 -14.263
   88    HZ3  LYS  12           HZ3      LYS  12  -6.211   1.984 -13.743
   89    H    MET  13           H        MET  13  -3.073   3.827  -6.889
   90    HA   MET  13           HA       MET  13  -3.402   6.537  -6.111
   91    HB2  MET  13           HB2      MET  13  -3.466   3.969  -4.522
   92    HB3  MET  13           HB3      MET  13  -3.850   5.544  -3.838
   93    HG2  MET  13           HG2      MET  13  -5.720   5.796  -5.310
   94    HG3  MET  13           HG3      MET  13  -5.284   4.330  -6.183
   95    HE1  MET  13           HE1      MET  13  -6.616   5.801  -2.776
   96    HE2  MET  13           HE2      MET  13  -5.172   4.910  -2.294
   97    HE3  MET  13           HE3      MET  13  -6.765   4.332  -1.812
   98    H    LEU  14           H        LEU  14  -0.979   4.081  -5.421
   99    HA   LEU  14           HA       LEU  14   0.573   5.774  -3.698
  100    HB2  LEU  14           HB2      LEU  14   0.537   3.295  -3.547
  101    HB3  LEU  14           HB3      LEU  14   1.330   3.210  -5.108
  102    HG   LEU  14           HG       LEU  14   3.290   4.377  -4.137
  103   HD11  LEU  14          HD11      LEU  14   2.163   5.576  -2.345
  104   HD12  LEU  14          HD12      LEU  14   3.469   4.576  -1.709
  105   HD13  LEU  14          HD13      LEU  14   1.793   4.050  -1.543
  106   HD21  LEU  14          HD21      LEU  14   2.410   1.849  -2.756
  107   HD22  LEU  14          HD22      LEU  14   4.060   2.474  -2.774
  108   HD23  LEU  14          HD23      LEU  14   3.290   1.971  -4.279
  109    H    GLY  15           H        GLY  15   0.240   5.341  -7.070
  110    HA2  GLY  15           HA2      GLY  15   2.820   6.126  -7.939
  111    HA3  GLY  15           HA3      GLY  15   1.339   6.201  -8.886
  112    H    LYS  16           H        LYS  16   0.168   7.884  -6.651
  113    HA   LYS  16           HA       LYS  16   0.784  10.450  -7.690
  114    HB2  LYS  16           HB2      LYS  16  -0.571   9.707  -5.091
  115    HB3  LYS  16           HB3      LYS  16  -0.611  11.289  -5.857
  116    HG2  LYS  16           HG2      LYS  16  -1.833  10.360  -7.747
  117    HG3  LYS  16           HG3      LYS  16  -1.765   8.757  -7.012
  118    HD2  LYS  16           HD2      LYS  16  -3.923   9.772  -6.581
  119    HD3  LYS  16           HD3      LYS  16  -3.018   9.617  -5.072
  120    HE2  LYS  16           HE2      LYS  16  -2.307  11.996  -5.345
  121    HE3  LYS  16           HE3      LYS  16  -3.395  12.107  -6.729
  122    HZ1  LYS  16           HZ1      LYS  16  -4.537  12.947  -4.856
  123    HZ2  LYS  16           HZ2      LYS  16  -4.123  11.618  -3.900
  124    HZ3  LYS  16           HZ3      LYS  16  -5.215  11.427  -5.186
  125    H    VAL  17           H        VAL  17   2.168   8.445  -5.315
  126    HA   VAL  17           HA       VAL  17   3.555  10.596  -3.929
  127    HB   VAL  17           HB       VAL  17   3.744   7.596  -3.563
  128   HG11  VAL  17          HG11      VAL  17   4.682   9.850  -1.794
  129   HG12  VAL  17          HG12      VAL  17   5.712   8.770  -2.733
  130   HG13  VAL  17          HG13      VAL  17   4.752   8.133  -1.396
  131   HG21  VAL  17          HG21      VAL  17   2.164   9.614  -1.977
  132   HG22  VAL  17          HG22      VAL  17   2.283   7.885  -1.646
  133   HG23  VAL  17          HG23      VAL  17   1.489   8.449  -3.117
  134    HA   PRO  18           HA       PRO  18   6.947  10.578  -6.844
  135    HB2  PRO  18           HB2      PRO  18   8.412  11.426  -4.382
  136    HB3  PRO  18           HB3      PRO  18   8.418  12.142  -6.000
  137    HG2  PRO  18           HG2      PRO  18   7.036  13.285  -4.046
  138    HG3  PRO  18           HG3      PRO  18   6.371  13.193  -5.687
  139    HD2  PRO  18           HD2      PRO  18   5.679  11.582  -3.268
  140    HD3  PRO  18           HD3      PRO  18   4.627  12.174  -4.570
  141    H    PHE  19           H        PHE  19   8.335   9.032  -7.436
  142    HA   PHE  19           HA       PHE  19   8.371   6.583  -6.158
  143    HB2  PHE  19           HB2      PHE  19  10.086   5.903  -7.748
  144    HB3  PHE  19           HB3      PHE  19   8.841   6.856  -8.542
  145    HD1  PHE  19           HD2      PHE  19   9.332   9.222  -9.175
  146    HD2  PHE  19           HD1      PHE  19  12.346   6.582  -7.739
  147    HE1  PHE  19           HE2      PHE  19  11.065  10.702 -10.105
  148    HE2  PHE  19           HE1      PHE  19  14.084   8.057  -8.664
  149    HZ   PHE  19           HZ       PHE  19  13.446  10.120  -9.849
  150    H    PHE  20           H        PHE  20  10.500   9.287  -5.648
  151    HA   PHE  20           HA       PHE  20  12.711   8.112  -4.472
  152    HB2  PHE  20           HB2      PHE  20  11.315  10.627  -3.519
  153    HB3  PHE  20           HB3      PHE  20  12.987  10.181  -3.195
  154    HD1  PHE  20           HD2      PHE  20  14.633  10.178  -5.053
  155    HD2  PHE  20           HD1      PHE  20  10.679  11.669  -5.515
  156    HE1  PHE  20           HE2      PHE  20  15.332  11.389  -7.078
  157    HE2  PHE  20           HE1      PHE  20  11.371  12.884  -7.542
  158    HZ   PHE  20           HZ       PHE  20  13.701  12.745  -8.321
  159    H    VAL  21           H        VAL  21   9.702   9.144  -2.894
  160    HA   VAL  21           HA       VAL  21  10.509   7.692  -0.483
  161    HB   VAL  21           HB       VAL  21   8.752   8.953   0.677
  162   HG11  VAL  21          HG11      VAL  21  10.652  10.638  -0.948
  163   HG12  VAL  21          HG12      VAL  21  10.982   9.878   0.612
  164   HG13  VAL  21          HG13      VAL  21   9.798  11.181   0.498
  165   HG21  VAL  21          HG21      VAL  21   8.317  10.306  -1.986
  166   HG22  VAL  21          HG22      VAL  21   7.590  10.790  -0.455
  167   HG23  VAL  21          HG23      VAL  21   7.182   9.233  -1.172
  168    H    ARG  22           H        ARG  22   8.494   7.356  -3.179
  169    HA   ARG  22           HA       ARG  22   6.272   6.019  -2.179
  170    HB2  ARG  22           HB2      ARG  22   6.493   6.606  -4.561
  171    HB3  ARG  22           HB3      ARG  22   7.773   5.412  -4.741
  172    HG2  ARG  22           HG2      ARG  22   5.918   3.793  -3.793
  173    HG3  ARG  22           HG3      ARG  22   4.843   5.028  -4.445
  174    HD2  ARG  22           HD2      ARG  22   7.036   3.758  -6.064
  175    HD3  ARG  22           HD3      ARG  22   5.416   3.077  -5.968
  176    HE   ARG  22           HE       ARG  22   5.776   5.843  -6.889
  177   HH11  ARG  22          HH11      ARG  22   4.785   2.536  -7.477
  178   HH12  ARG  22          HH12      ARG  22   4.062   2.887  -9.019
  179   HH21  ARG  22          HH21      ARG  22   4.843   6.315  -8.916
  180   HH22  ARG  22          HH22      ARG  22   4.092   5.045  -9.839
  181    H    LYS  23           H        LYS  23   9.536   4.903  -2.748
  182    HA   LYS  23           HA       LYS  23   9.135   2.142  -2.494
  183    HB2  LYS  23           HB2      LYS  23  11.228   3.457  -3.241
  184    HB3  LYS  23           HB3      LYS  23  11.606   3.564  -1.528
  185    HG2  LYS  23           HG2      LYS  23  12.815   1.731  -2.386
  186    HG3  LYS  23           HG3      LYS  23  11.478   1.055  -1.451
  187    HD2  LYS  23           HD2      LYS  23  10.209   0.708  -3.510
  188    HD3  LYS  23           HD3      LYS  23  11.525   1.413  -4.447
  189    HE2  LYS  23           HE2      LYS  23  13.009  -0.394  -3.542
  190    HE3  LYS  23           HE3      LYS  23  11.567  -1.144  -2.859
  191    HZ1  LYS  23           HZ1      LYS  23  12.110  -2.120  -4.990
  192    HZ2  LYS  23           HZ2      LYS  23  12.059  -0.597  -5.737
  193    HZ3  LYS  23           HZ3      LYS  23  10.641  -1.275  -5.106
  194    H    LYS  24           H        LYS  24   9.831   4.640  -0.104
  195    HA   LYS  24           HA       LYS  24  10.133   2.877   2.109
  196    HB2  LYS  24           HB2      LYS  24  10.957   5.315   1.813
  197    HB3  LYS  24           HB3      LYS  24   9.336   5.772   2.310
  198    HG2  LYS  24           HG2      LYS  24   9.670   4.514   4.412
  199    HG3  LYS  24           HG3      LYS  24  11.335   4.195   3.915
  200    HD2  LYS  24           HD2      LYS  24  11.669   6.663   3.734
  201    HD3  LYS  24           HD3      LYS  24  10.065   6.880   4.433
  202    HE2  LYS  24           HE2      LYS  24  12.453   5.572   5.719
  203    HE3  LYS  24           HE3      LYS  24  11.719   7.114   6.158
  204    HZ1  LYS  24           HZ1      LYS  24   9.634   5.743   6.591
  205    HZ2  LYS  24           HZ2      LYS  24  10.903   5.612   7.707
  206    HZ3  LYS  24           HZ3      LYS  24  10.659   4.386   6.561
  207    H    VAL  25           H        VAL  25   7.481   4.839   0.846
  208    HA   VAL  25           HA       VAL  25   5.650   4.310   2.939
  209    HB   VAL  25           HB       VAL  25   5.068   5.097   0.072
  210   HG11  VAL  25          HG11      VAL  25   3.106   4.175   1.216
  211   HG12  VAL  25          HG12      VAL  25   2.931   5.908   0.934
  212   HG13  VAL  25          HG13      VAL  25   3.344   5.313   2.543
  213   HG21  VAL  25          HG21      VAL  25   5.453   6.775   2.553
  214   HG22  VAL  25          HG22      VAL  25   4.886   7.383   0.998
  215   HG23  VAL  25          HG23      VAL  25   6.513   6.717   1.143
  216    H    ARG  26           H        ARG  26   6.175   2.811  -0.234
  217    HA   ARG  26           HA       ARG  26   4.022   1.039  -0.241
  218    HB2  ARG  26           HB2      ARG  26   5.725   1.549  -2.104
  219    HB3  ARG  26           HB3      ARG  26   6.736   0.328  -1.343
  220    HG2  ARG  26           HG2      ARG  26   4.899  -1.305  -1.622
  221    HG3  ARG  26           HG3      ARG  26   3.986  -0.073  -2.499
  222    HD2  ARG  26           HD2      ARG  26   6.169   0.068  -3.940
  223    HD3  ARG  26           HD3      ARG  26   6.450  -1.549  -3.299
  224    HE   ARG  26           HE       ARG  26   4.104  -0.761  -4.907
  225   HH11  ARG  26          HH11      ARG  26   6.290  -3.220  -3.703
  226   HH12  ARG  26          HH12      ARG  26   5.742  -4.434  -4.828
  227   HH21  ARG  26          HH21      ARG  26   3.368  -2.330  -6.369
  228   HH22  ARG  26          HH22      ARG  26   4.077  -3.923  -6.343
  229    H    LYS  27           H        LYS  27   7.324   0.580   0.911
  230    HA   LYS  27           HA       LYS  27   7.194  -2.044   1.788
  231    HB2  LYS  27           HB2      LYS  27   9.254  -0.719   1.634
  232    HB3  LYS  27           HB3      LYS  27   8.719   0.287   2.971
  233    HG2  LYS  27           HG2      LYS  27   8.775  -1.710   4.433
  234    HG3  LYS  27           HG3      LYS  27   9.436  -2.634   3.082
  235    HD2  LYS  27           HD2      LYS  27  11.348  -1.102   2.977
  236    HD3  LYS  27           HD3      LYS  27  10.686  -0.191   4.334
  237    HE2  LYS  27           HE2      LYS  27  12.392  -1.655   5.162
  238    HE3  LYS  27           HE3      LYS  27  10.827  -2.241   5.718
  239    HZ1  LYS  27           HZ1      LYS  27  10.857  -3.903   3.969
  240    HZ2  LYS  27           HZ2      LYS  27  12.240  -4.038   4.940
  241    HZ3  LYS  27           HZ3      LYS  27  12.355  -3.328   3.410
  242    H    ASN  28           H        ASN  28   6.158   0.914   3.379
  243    HA   ASN  28           HA       ASN  28   5.742  -0.198   5.949
  244    HB2  ASN  28           HB2      ASN  28   5.737   2.327   4.946
  245    HB3  ASN  28           HB3      ASN  28   4.010   2.050   5.136
  246   HD21  ASN  28          HD21      ASN  28   7.030   2.502   6.726
  247   HD22  ASN  28          HD22      ASN  28   6.411   2.639   8.333
  248    H    THR  29           H        THR  29   3.665   0.246   3.131
  249    HA   THR  29           HA       THR  29   1.274  -0.662   4.373
  250    HB   THR  29           HB       THR  29   1.289  -1.168   1.558
  251    HG1  THR  29           HG1      THR  29   2.937   0.275   1.293
  252   HG21  THR  29          HG21      THR  29  -0.014   0.986   3.219
  253   HG22  THR  29          HG22      THR  29  -0.694  -0.599   2.848
  254   HG23  THR  29          HG23      THR  29  -0.439   0.573   1.556
  255    H    ASP  30           H        ASP  30   3.773  -2.244   2.396
  256    HA   ASP  30           HA       ASP  30   2.604  -4.754   2.119
  257    HB2  ASP  30           HB2      ASP  30   5.482  -3.903   2.378
  258    HB3  ASP  30           HB3      ASP  30   5.054  -5.603   2.249
  259    H    ASN  31           H        ASN  31   4.360  -3.350   4.815
  260    HA   ASN  31           HA       ASN  31   4.234  -5.760   6.383
  261    HB2  ASN  31           HB2      ASN  31   5.026  -2.917   7.028
  262    HB3  ASN  31           HB3      ASN  31   4.944  -4.166   8.265
  263   HD21  ASN  31          HD21      ASN  31   5.981  -4.723   4.962
  264   HD22  ASN  31          HD22      ASN  31   7.632  -5.060   5.345
  265    H    TYR  32           H        TYR  32   2.208  -2.951   5.902
  266    HA   TYR  32           HA       TYR  32   0.664  -3.173   8.263
  267    HB2  TYR  32           HB2      TYR  32   0.342  -1.160   7.071
  268    HB3  TYR  32           HB3      TYR  32   0.063  -2.002   5.543
  269    HD1  TYR  32           HD1      TYR  32  -1.404  -1.468   8.924
  270    HD2  TYR  32           HD2      TYR  32  -2.131  -2.529   4.868
  271    HE1  TYR  32           HE1      TYR  32  -3.820  -1.486   9.363
  272    HE2  TYR  32           HE2      TYR  32  -4.551  -2.534   5.299
  273    HH   TYR  32           HH       TYR  32  -6.064  -2.829   7.232
  274    H    ALA  33           H        ALA  33   0.001  -4.327   4.968
  275    HA   ALA  33           HA       ALA  33  -2.323  -5.766   5.672
  276    HB1  ALA  33           HB1      ALA  33  -2.127  -6.791   3.467
  277    HB2  ALA  33           HB2      ALA  33  -0.483  -6.176   3.317
  278    HB3  ALA  33           HB3      ALA  33  -1.841  -5.054   3.382
  279    H    ARG  34           H        ARG  34   1.078  -6.553   5.644
  280    HA   ARG  34           HA       ARG  34   0.872  -9.342   6.010
  281    HB2  ARG  34           HB2      ARG  34   2.937  -7.733   5.537
  282    HB3  ARG  34           HB3      ARG  34   3.093  -7.809   7.288
  283    HG2  ARG  34           HG2      ARG  34   4.496  -9.477   6.260
  284    HG3  ARG  34           HG3      ARG  34   3.185 -10.264   7.147
  285    HD2  ARG  34           HD2      ARG  34   1.929 -10.461   5.037
  286    HD3  ARG  34           HD3      ARG  34   3.296  -9.768   4.177
  287    HE   ARG  34           HE       ARG  34   4.527 -11.803   5.231
  288   HH11  ARG  34          HH11      ARG  34   1.206 -11.797   4.121
  289   HH12  ARG  34          HH12      ARG  34   1.253 -13.434   3.532
  290   HH21  ARG  34          HH21      ARG  34   4.609 -13.960   4.446
  291   HH22  ARG  34          HH22      ARG  34   3.201 -14.657   3.693
  292    H    GLU  35           H        GLU  35   0.549  -6.630   8.162
  293    HA   GLU  35           HA       GLU  35   0.908  -8.039  10.607
  294    HB2  GLU  35           HB2      GLU  35   1.225  -5.605  10.409
  295    HB3  GLU  35           HB3      GLU  35  -0.481  -5.406  10.044
  296    HG2  GLU  35           HG2      GLU  35  -1.055  -6.217  12.273
  297    HG3  GLU  35           HG3      GLU  35   0.658  -6.428  12.637
  298    H    ILE  36           H        ILE  36  -1.919  -7.111   8.682
  299    HA   ILE  36           HA       ILE  36  -3.689  -8.353  10.639
  300    HB   ILE  36           HB       ILE  36  -5.527  -7.520   9.170
  301   HG12  ILE  36          HG12      ILE  36  -3.250  -6.172   7.695
  302   HG13  ILE  36          HG13      ILE  36  -4.283  -7.444   7.051
  303   HG21  ILE  36          HG21      ILE  36  -5.200  -5.144   9.784
  304   HG22  ILE  36          HG22      ILE  36  -3.527  -5.514  10.197
  305   HG23  ILE  36          HG23      ILE  36  -4.843  -6.261  11.103
  306   HD11  ILE  36          HD11      ILE  36  -5.176  -4.692   7.871
  307   HD12  ILE  36          HD12      ILE  36  -6.211  -5.961   7.218
  308   HD13  ILE  36          HD13      ILE  36  -4.937  -5.261   6.219
  309    H    GLY  37           H        GLY  37  -2.136  -9.191   7.728
  310    HA2  GLY  37           HA2      GLY  37  -1.992 -11.423   7.006
  311    HA3  GLY  37           HA3      GLY  37  -3.503 -11.764   7.832
  312    H    GLU  38           H        GLU  38  -2.799  -9.223   5.450
  313    HA   GLU  38           HA       GLU  38  -4.678 -10.568   3.621
  314    HB2  GLU  38           HB2      GLU  38  -4.153  -7.592   3.847
  315    HB3  GLU  38           HB3      GLU  38  -5.275  -8.359   2.729
  316    HG2  GLU  38           HG2      GLU  38  -6.505  -9.239   4.734
  317    HG3  GLU  38           HG3      GLU  38  -5.473  -8.212   5.725
  318    HA   PRO  39           HA       PRO  39  -0.830 -10.844   1.337
  319    HB2  PRO  39           HB2      PRO  39  -2.308 -12.501  -0.542
  320    HB3  PRO  39           HB3      PRO  39  -1.013 -12.961   0.564
  321    HG2  PRO  39           HG2      PRO  39  -3.593 -13.769   0.869
  322    HG3  PRO  39           HG3      PRO  39  -2.477 -13.556   2.231
  323    HD2  PRO  39           HD2      PRO  39  -4.635 -11.736   1.237
  324    HD3  PRO  39           HD3      PRO  39  -4.177 -12.133   2.908
  325    H    VAL  40           H        VAL  40  -3.876  -9.695   0.219
  326    HA   VAL  40           HA       VAL  40  -2.652  -8.684  -2.266
  327    HB   VAL  40           HB       VAL  40  -5.593  -9.126  -1.700
  328   HG11  VAL  40          HG11      VAL  40  -4.171  -8.368  -4.250
  329   HG12  VAL  40          HG12      VAL  40  -5.177  -7.302  -3.269
  330   HG13  VAL  40          HG13      VAL  40  -5.898  -8.688  -4.088
  331   HG21  VAL  40          HG21      VAL  40  -3.670 -10.736  -3.379
  332   HG22  VAL  40          HG22      VAL  40  -5.418 -10.974  -3.328
  333   HG23  VAL  40          HG23      VAL  40  -4.446 -11.254  -1.881
  334    H    VAL  41           H        VAL  41  -2.391  -6.560  -2.427
  335    HA   VAL  41           HA       VAL  41  -3.702  -4.842  -0.435
  336    HB   VAL  41           HB       VAL  41  -1.280  -4.202  -2.128
  337   HG11  VAL  41          HG11      VAL  41  -2.496  -2.778   0.236
  338   HG12  VAL  41          HG12      VAL  41  -2.500  -2.225  -1.439
  339   HG13  VAL  41          HG13      VAL  41  -0.980  -2.339  -0.553
  340   HG21  VAL  41          HG21      VAL  41  -1.404  -5.053   0.761
  341   HG22  VAL  41          HG22      VAL  41   0.042  -4.534  -0.101
  342   HG23  VAL  41          HG23      VAL  41  -0.783  -6.020  -0.575
  343    H    THR  42           H        THR  42  -5.569  -4.197  -1.306
  344    HA   THR  42           HA       THR  42  -5.620  -3.187  -4.055
  345    HB   THR  42           HB       THR  42  -8.092  -3.138  -3.729
  346    HG1  THR  42           HG1      THR  42  -8.954  -4.034  -1.846
  347   HG21  THR  42          HG21      THR  42  -7.016  -5.108  -4.714
  348   HG22  THR  42          HG22      THR  42  -8.425  -5.562  -3.754
  349   HG23  THR  42          HG23      THR  42  -6.800  -5.798  -3.105
  350    H    ALA  43           H        ALA  43  -7.498  -1.309  -4.075
  351    HA   ALA  43           HA       ALA  43  -6.387   0.997  -2.907
  352    HB1  ALA  43           HB1      ALA  43  -9.203   0.543  -3.900
  353    HB2  ALA  43           HB2      ALA  43  -7.834   1.087  -4.872
  354    HB3  ALA  43           HB3      ALA  43  -8.463   2.112  -3.582
  355    H    ASP  44           H        ASP  44  -8.914  -1.210  -1.895
  356    HA   ASP  44           HA       ASP  44  -9.829   0.251   0.340
  357    HB2  ASP  44           HB2      ASP  44 -11.107  -1.604  -0.624
  358    HB3  ASP  44           HB3      ASP  44  -9.852  -2.737  -0.132
  359    H    VAL  45           H        VAL  45  -7.358  -2.263  -0.010
  360    HA   VAL  45           HA       VAL  45  -6.686  -2.435   2.719
  361    HB   VAL  45           HB       VAL  45  -4.928  -2.976   0.318
  362   HG11  VAL  45          HG11      VAL  45  -4.638  -3.898   3.180
  363   HG12  VAL  45          HG12      VAL  45  -3.629  -2.697   2.376
  364   HG13  VAL  45          HG13      VAL  45  -3.610  -4.373   1.828
  365   HG21  VAL  45          HG21      VAL  45  -6.689  -4.811   1.944
  366   HG22  VAL  45          HG22      VAL  45  -5.573  -5.327   0.680
  367   HG23  VAL  45          HG23      VAL  45  -6.955  -4.311   0.274
  368    H    PHE  46           H        PHE  46  -5.376  -0.465   0.082
  369    HA   PHE  46           HA       PHE  46  -3.386   0.855   1.567
  370    HB2  PHE  46           HB2      PHE  46  -3.676   0.854  -0.949
  371    HB3  PHE  46           HB3      PHE  46  -4.968   2.029  -0.730
  372    HD1  PHE  46           HD1      PHE  46  -1.352   1.443  -0.230
  373    HD2  PHE  46           HD2      PHE  46  -4.482   4.318  -0.451
  374    HE1  PHE  46           HE1      PHE  46   0.318   3.249  -0.280
  375    HE2  PHE  46           HE2      PHE  46  -2.817   6.129  -0.500
  376    HZ   PHE  46           HZ       PHE  46  -0.415   5.598  -0.413
  377    H    ARG  47           H        ARG  47  -6.788   1.602   0.993
  378    HA   ARG  47           HA       ARG  47  -6.976   4.043   2.335
  379    HB2  ARG  47           HB2      ARG  47  -8.775   3.188   0.956
  380    HB3  ARG  47           HB3      ARG  47  -8.992   1.812   2.024
  381    HG2  ARG  47           HG2      ARG  47  -9.678   3.381   3.820
  382    HG3  ARG  47           HG3      ARG  47  -9.582   4.697   2.647
  383    HD2  ARG  47           HD2      ARG  47 -11.354   2.263   2.442
  384    HD3  ARG  47           HD3      ARG  47 -11.877   3.889   2.883
  385    HE   ARG  47           HE       ARG  47 -11.294   4.588   0.622
  386   HH11  ARG  47          HH11      ARG  47 -11.648   1.151   1.210
  387   HH12  ARG  47          HH12      ARG  47 -11.875   0.765  -0.465
  388   HH21  ARG  47          HH21      ARG  47 -11.591   4.071  -1.584
  389   HH22  ARG  47          HH22      ARG  47 -11.828   2.412  -2.053
  390    H    LYS  48           H        LYS  48  -7.523   0.750   3.566
  391    HA   LYS  48           HA       LYS  48  -8.056   1.508   6.230
  392    HB2  LYS  48           HB2      LYS  48  -6.986  -1.113   5.166
  393    HB3  LYS  48           HB3      LYS  48  -7.666  -0.864   6.768
  394    HG2  LYS  48           HG2      LYS  48  -9.827  -0.378   5.829
  395    HG3  LYS  48           HG3      LYS  48  -9.174  -0.459   4.193
  396    HD2  LYS  48           HD2      LYS  48  -9.377  -2.727   6.173
  397    HD3  LYS  48           HD3      LYS  48 -10.336  -2.519   4.707
  398    HE2  LYS  48           HE2      LYS  48  -8.178  -2.619   3.413
  399    HE3  LYS  48           HE3      LYS  48  -7.383  -3.081   4.917
  400    HZ1  LYS  48           HZ1      LYS  48  -9.099  -4.942   4.998
  401    HZ2  LYS  48           HZ2      LYS  48  -7.852  -5.090   3.864
  402    HZ3  LYS  48           HZ3      LYS  48  -9.397  -4.588   3.369
  403    H    ALA  49           H        ALA  49  -5.102   0.764   4.505
  404    HA   ALA  49           HA       ALA  49  -3.349   0.565   6.689
  405    HB1  ALA  49           HB1      ALA  49  -1.575   0.991   5.098
  406    HB2  ALA  49           HB2      ALA  49  -2.743   1.605   3.927
  407    HB3  ALA  49           HB3      ALA  49  -2.772  -0.097   4.392
  408    H    LYS  50           H        LYS  50  -4.268   3.338   4.688
  409    HA   LYS  50           HA       LYS  50  -2.623   5.261   5.800
  410    HB2  LYS  50           HB2      LYS  50  -5.394   5.498   4.634
  411    HB3  LYS  50           HB3      LYS  50  -4.414   6.893   5.076
  412    HG2  LYS  50           HG2      LYS  50  -2.752   6.331   3.465
  413    HG3  LYS  50           HG3      LYS  50  -3.510   4.771   3.150
  414    HD2  LYS  50           HD2      LYS  50  -3.991   6.361   1.368
  415    HD3  LYS  50           HD3      LYS  50  -5.463   5.894   2.219
  416    HE2  LYS  50           HE2      LYS  50  -5.468   7.972   3.443
  417    HE3  LYS  50           HE3      LYS  50  -3.904   8.418   2.762
  418    HZ1  LYS  50           HZ1      LYS  50  -6.310   7.945   1.098
  419    HZ2  LYS  50           HZ2      LYS  50  -4.847   8.666   0.628
  420    HZ3  LYS  50           HZ3      LYS  50  -5.892   9.477   1.696
  421    H    GLU  51           H        GLU  51  -5.875   4.287   6.861
  422    HA   GLU  51           HA       GLU  51  -6.063   6.147   8.979
  423    HB2  GLU  51           HB2      GLU  51  -7.992   4.889   8.041
  424    HB3  GLU  51           HB3      GLU  51  -7.361   3.422   8.777
  425    HG2  GLU  51           HG2      GLU  51  -7.508   4.629  10.993
  426    HG3  GLU  51           HG3      GLU  51  -8.438   5.865  10.146
  427    H    HIS  52           H        HIS  52  -4.912   2.813   8.836
  428    HA   HIS  52           HA       HIS  52  -4.609   2.474  11.638
  429    HB2  HIS  52           HB2      HIS  52  -4.897   0.663   9.913
  430    HB3  HIS  52           HB3      HIS  52  -3.228   0.930   9.441
  431    HD1  HIS  52           HD1      HIS  52  -5.286  -0.292  12.359
  432    HD2  HIS  52           HD2      HIS  52  -1.360  -0.366  10.985
  433    HE1  HIS  52           HE1      HIS  52  -4.092  -1.969  13.801
  434    HE2  HIS  52           HE2      HIS  52  -1.802  -2.197  12.762
  435    H    LEU  53           H        LEU  53  -2.449   3.550   9.086
  436    HA   LEU  53           HA       LEU  53  -0.130   3.548  10.812
  437    HB2  LEU  53           HB2      LEU  53  -0.499   4.759   8.067
  438    HB3  LEU  53           HB3      LEU  53   1.028   4.555   8.900
  439    HG   LEU  53           HG       LEU  53  -0.756   2.299   7.978
  440   HD11  LEU  53          HD11      LEU  53   1.866   3.289   6.861
  441   HD12  LEU  53          HD12      LEU  53   0.283   3.526   6.122
  442   HD13  LEU  53          HD13      LEU  53   0.942   1.899   6.288
  443   HD21  LEU  53          HD21      LEU  53   1.121   0.865   8.560
  444   HD22  LEU  53          HD22      LEU  53   0.554   1.753   9.975
  445   HD23  LEU  53          HD23      LEU  53   2.025   2.260   9.143
  446    H    GLY  54           H        GLY  54  -2.312   5.941   9.396
  447    HA2  GLY  54           HA2      GLY  54  -2.396   7.756  11.422
  448    HA3  GLY  54           HA3      GLY  54  -0.922   8.179  10.557
  449    H    GLY  55           H        GLY  55  -4.392   8.018  10.421
  450    HA2  GLY  55           HA2      GLY  55  -4.578   8.753   7.658
  451    HA3  GLY  55           HA3      GLY  55  -5.905   8.654   8.802
  452    H    LEU  56           H        LEU  56  -6.274  10.601   7.224
  453    HA   LEU  56           HA       LEU  56  -4.938  13.038   7.746
  454    HB2  LEU  56           HB2      LEU  56  -6.323  12.529   5.727
  455    HB3  LEU  56           HB3      LEU  56  -7.752  12.609   6.733
  456    HG   LEU  56           HG       LEU  56  -5.942  14.992   6.571
  457   HD11  LEU  56          HD11      LEU  56  -6.316  14.342   4.255
  458   HD12  LEU  56          HD12      LEU  56  -7.232  15.796   4.647
  459   HD13  LEU  56          HD13      LEU  56  -8.051  14.238   4.551
  460   HD21  LEU  56          HD21      LEU  56  -8.022  16.195   6.942
  461   HD22  LEU  56          HD22      LEU  56  -7.802  14.962   8.185
  462   HD23  LEU  56          HD23      LEU  56  -8.931  14.686   6.858
  463    H    GLU  57           H        GLU  57  -7.722  11.426   9.151
  464    HA   GLU  57           HA       GLU  57  -8.098  13.658  11.009
  465    HB2  GLU  57           HB2      GLU  57 -10.207  12.546  11.630
  466    HB3  GLU  57           HB3      GLU  57 -10.129  12.897   9.911
  467    HG2  GLU  57           HG2      GLU  57  -9.433  10.199  11.031
  468    HG3  GLU  57           HG3      GLU  57 -11.082  10.648  10.603
  469    H    HIS  58           H        HIS  58  -7.733  13.495  13.127
  470    HA   HIS  58           HA       HIS  58  -7.056  10.851  14.227
  471    HB2  HIS  58           HB2      HIS  58  -5.650  13.483  14.733
  472    HB3  HIS  58           HB3      HIS  58  -5.471  12.084  15.788
  473    HD1  HIS  58           HD1      HIS  58  -3.664  10.488  15.189
  474    HD2  HIS  58           HD2      HIS  58  -4.740  12.919  11.989
  475    HE1  HIS  58           HE1      HIS  58  -2.038   9.945  13.345
  476    HE2  HIS  58           HE2      HIS  58  -2.804  11.321  11.374
  477    H    HIS  59           H        HIS  59  -7.544  10.620  16.493
  478    HA   HIS  59           HA       HIS  59  -8.930  10.742  18.279
  479    HB2  HIS  59           HB2      HIS  59  -8.209  13.127  18.455
  480    HB3  HIS  59           HB3      HIS  59  -9.576  13.576  17.440
  481    HD1  HIS  59           HD1      HIS  59 -11.406  14.502  18.813
  482    HD2  HIS  59           HD2      HIS  59  -9.380  11.453  20.795
  483    HE1  HIS  59           HE1      HIS  59 -12.557  14.253  21.040
  484    HE2  HIS  59           HE2      HIS  59 -11.357  12.359  22.199
  485    H    HIS  60           H        HIS  60 -10.241  12.102  15.297
  486    HA   HIS  60           HA       HIS  60 -12.932  11.281  15.774
  487    HB2  HIS  60           HB2      HIS  60 -12.272  13.049  14.137
  488    HB3  HIS  60           HB3      HIS  60 -11.541  11.805  13.131
  489    HD1  HIS  60           HD1      HIS  60 -14.685  13.538  13.769
  490    HD2  HIS  60           HD2      HIS  60 -13.509   9.939  12.039
  491    HE1  HIS  60           HE1      HIS  60 -16.652  12.765  12.403
  492    HE2  HIS  60           HE2      HIS  60 -15.900  10.615  11.308
  493    H    HIS  61           H        HIS  61 -13.511   9.232  15.977
  494    HA   HIS  61           HA       HIS  61 -11.789   7.172  14.813
  495    HB2  HIS  61           HB2      HIS  61 -12.216   7.133  17.254
  496    HB3  HIS  61           HB3      HIS  61 -13.932   6.906  16.935
  497    HD1  HIS  61           HD1      HIS  61 -14.393   4.577  17.648
  498    HD2  HIS  61           HD2      HIS  61 -10.920   4.847  15.380
  499    HE1  HIS  61           HE1      HIS  61 -13.616   2.210  17.321
  500    HE2  HIS  61           HE2      HIS  61 -11.650   2.388  15.749
  501    H    HIS  62           H        HIS  62 -12.363   6.016  13.162
  502    HA   HIS  62           HA       HIS  62 -13.577   4.626  11.837
  503    HB2  HIS  62           HB2      HIS  62 -15.037   4.483  14.067
  504    HB3  HIS  62           HB3      HIS  62 -16.206   5.304  13.042
  505    HD1  HIS  62           HD1      HIS  62 -15.800   2.144  14.170
  506    HD2  HIS  62           HD2      HIS  62 -15.943   3.641  10.295
  507    HE1  HIS  62           HE1      HIS  62 -16.442   0.195  12.717
  508    HE2  HIS  62           HE2      HIS  62 -16.391   1.089  10.360
  509    H    HIS  63           H        HIS  63 -14.169   4.994   9.819
  510    HA   HIS  63           HA       HIS  63 -15.244   7.584   9.059
  511    HB2  HIS  63           HB2      HIS  63 -14.436   5.172   7.417
  512    HB3  HIS  63           HB3      HIS  63 -15.024   6.680   6.732
  513    HD1  HIS  63           HD1      HIS  63 -11.987   4.994   7.281
  514    HD2  HIS  63           HD2      HIS  63 -13.243   8.929   7.795
  515    HE1  HIS  63           HE1      HIS  63  -9.886   6.381   7.328
  516    HE2  HIS  63           HE2      HIS  63 -10.667   8.740   7.772
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1  11.140 -11.472  -0.779
    2    H2   MET   1           H2       MET   1  10.630 -13.069  -1.030
    3    H3   MET   1           H3       MET   1  10.743 -12.455   0.549
    4    HA   MET   1           HA       MET   1   8.891 -11.485  -1.544
    5    HB2  MET   1           HB2      MET   1   8.377 -13.769  -0.650
    6    HB3  MET   1           HB3      MET   1   8.279 -13.072   0.961
    7    HG2  MET   1           HG2      MET   1   6.070 -13.359   0.058
    8    HG3  MET   1           HG3      MET   1   6.429 -11.638   0.207
    9    HE1  MET   1           HE1      MET   1   4.035 -12.888  -1.536
   10    HE2  MET   1           HE2      MET   1   4.125 -11.877  -2.979
   11    HE3  MET   1           HE3      MET   1   4.322 -11.156  -1.381
   12    H    GLY   2           H        GLY   2   9.248  -9.332  -1.201
   13    HA2  GLY   2           HA2      GLY   2   8.399  -8.324   1.447
   14    HA3  GLY   2           HA3      GLY   2   9.774  -7.617   0.604
   15    H    GLU   3           H        GLU   3   7.306  -8.787  -1.352
   16    HA   GLU   3           HA       GLU   3   5.879  -6.267  -1.494
   17    HB2  GLU   3           HB2      GLU   3   6.061  -6.278  -4.001
   18    HB3  GLU   3           HB3      GLU   3   7.547  -5.883  -3.157
   19    HG2  GLU   3           HG2      GLU   3   6.955  -8.644  -4.182
   20    HG3  GLU   3           HG3      GLU   3   7.729  -7.409  -5.171
   21    H    LEU   4           H        LEU   4   3.975  -7.074  -0.885
   22    HA   LEU   4           HA       LEU   4   2.985  -9.615  -1.648
   23    HB2  LEU   4           HB2      LEU   4   1.577  -7.205  -0.511
   24    HB3  LEU   4           HB3      LEU   4   0.836  -8.784  -0.696
   25    HG   LEU   4           HG       LEU   4   3.244  -8.194   1.024
   26   HD11  LEU   4          HD11      LEU   4   1.195  -7.174   1.890
   27   HD12  LEU   4          HD12      LEU   4   1.748  -8.506   2.905
   28   HD13  LEU   4          HD13      LEU   4   0.389  -8.741   1.807
   29   HD21  LEU   4          HD21      LEU   4   3.241 -10.470   0.160
   30   HD22  LEU   4          HD22      LEU   4   1.582 -10.690   0.715
   31   HD23  LEU   4          HD23      LEU   4   2.880 -10.457   1.886
   32    H    SER   5           H        SER   5   0.410  -9.338  -2.449
   33    HA   SER   5           HA       SER   5   0.795  -8.836  -5.248
   34    HB2  SER   5           HB2      SER   5  -1.730  -9.592  -3.758
   35    HB3  SER   5           HB3      SER   5  -1.473  -9.703  -5.501
   36    HG   SER   5           HG       SER   5  -0.359 -11.251  -3.424
   37    H    TRP   6           H        TRP   6   0.986  -6.707  -5.723
   38    HA   TRP   6           HA       TRP   6  -0.922  -4.788  -4.646
   39    HB2  TRP   6           HB2      TRP   6   1.571  -4.551  -6.318
   40    HB3  TRP   6           HB3      TRP   6   0.470  -3.191  -6.128
   41    HD1  TRP   6           HD1      TRP   6   2.605  -5.543  -3.901
   42    HE1  TRP   6           HE1      TRP   6   3.317  -4.210  -1.813
   43    HE3  TRP   6           HE3      TRP   6   0.075  -1.203  -4.817
   44    HZ2  TRP   6           HZ2      TRP   6   2.863  -1.647  -0.710
   45    HZ3  TRP   6           HZ3      TRP   6   0.270   0.643  -3.201
   46    HH2  TRP   6           HH2      TRP   6   1.634   0.423  -1.194
   47    H    THR   7           H        THR   7  -2.745  -4.296  -5.651
   48    HA   THR   7           HA       THR   7  -3.160  -5.210  -8.382
   49    HB   THR   7           HB       THR   7  -5.529  -4.516  -7.983
   50    HG1  THR   7           HG1      THR   7  -6.123  -3.645  -6.092
   51   HG21  THR   7          HG21      THR   7  -4.811  -6.816  -7.545
   52   HG22  THR   7          HG22      THR   7  -6.044  -6.311  -6.391
   53   HG23  THR   7          HG23      THR   7  -4.350  -6.367  -5.903
   54    H    ALA   8           H        ALA   8  -4.676  -3.593  -9.681
   55    HA   ALA   8           HA       ALA   8  -3.002  -1.444 -10.416
   56    HB1  ALA   8           HB1      ALA   8  -4.803  -0.801 -11.939
   57    HB2  ALA   8           HB2      ALA   8  -5.898  -1.915 -11.120
   58    HB3  ALA   8           HB3      ALA   8  -4.502  -2.537 -12.000
   59    H    GLU   9           H        GLU   9  -5.927  -1.629  -8.459
   60    HA   GLU   9           HA       GLU   9  -6.501   1.088  -8.201
   61    HB2  GLU   9           HB2      GLU   9  -6.822  -0.852  -5.920
   62    HB3  GLU   9           HB3      GLU   9  -7.827   0.532  -6.325
   63    HG2  GLU   9           HG2      GLU   9  -9.151  -1.231  -6.965
   64    HG3  GLU   9           HG3      GLU   9  -8.357  -0.810  -8.482
   65    H    ALA  10           H        ALA  10  -4.312  -0.960  -6.334
   66    HA   ALA  10           HA       ALA  10  -3.638   1.056  -4.440
   67    HB1  ALA  10           HB1      ALA  10  -1.892  -0.499  -3.719
   68    HB2  ALA  10           HB2      ALA  10  -2.205  -1.506  -5.134
   69    HB3  ALA  10           HB3      ALA  10  -3.449  -1.309  -3.900
   70    H    GLU  11           H        GLU  11  -2.058  -0.220  -7.355
   71    HA   GLU  11           HA       GLU  11   0.320   1.225  -7.204
   72    HB2  GLU  11           HB2      GLU  11  -1.224   0.055  -9.487
   73    HB3  GLU  11           HB3      GLU  11   0.212   1.021  -9.801
   74    HG2  GLU  11           HG2      GLU  11   0.101  -1.454  -8.094
   75    HG3  GLU  11           HG3      GLU  11   0.709  -1.368  -9.747
   76    H    LYS  12           H        LYS  12  -2.808   2.164  -8.555
   77    HA   LYS  12           HA       LYS  12  -1.952   4.549  -9.782
   78    HB2  LYS  12           HB2      LYS  12  -4.658   3.791  -8.671
   79    HB3  LYS  12           HB3      LYS  12  -4.357   5.230  -9.634
   80    HG2  LYS  12           HG2      LYS  12  -3.932   2.391 -10.538
   81    HG3  LYS  12           HG3      LYS  12  -5.294   3.425 -10.976
   82    HD2  LYS  12           HD2      LYS  12  -3.763   4.985 -12.069
   83    HD3  LYS  12           HD3      LYS  12  -2.391   3.975 -11.606
   84    HE2  LYS  12           HE2      LYS  12  -3.303   2.135 -12.938
   85    HE3  LYS  12           HE3      LYS  12  -4.672   3.145 -13.397
   86    HZ1  LYS  12           HZ1      LYS  12  -3.162   4.658 -14.506
   87    HZ2  LYS  12           HZ2      LYS  12  -2.974   3.090 -15.119
   88    HZ3  LYS  12           HZ3      LYS  12  -1.829   3.718 -14.037
   89    H    MET  13           H        MET  13  -3.242   3.940  -6.532
   90    HA   MET  13           HA       MET  13  -3.119   6.715  -5.821
   91    HB2  MET  13           HB2      MET  13  -3.547   4.246  -4.142
   92    HB3  MET  13           HB3      MET  13  -3.595   5.884  -3.503
   93    HG2  MET  13           HG2      MET  13  -5.412   6.360  -5.181
   94    HG3  MET  13           HG3      MET  13  -5.456   4.626  -5.497
   95    HE1  MET  13           HE1      MET  13  -4.895   3.415  -2.606
   96    HE2  MET  13           HE2      MET  13  -6.141   2.813  -3.699
   97    HE3  MET  13           HE3      MET  13  -6.545   3.193  -2.026
   98    H    LEU  14           H        LEU  14  -0.967   3.991  -5.586
   99    HA   LEU  14           HA       LEU  14   0.855   5.280  -3.775
  100    HB2  LEU  14           HB2      LEU  14   0.702   2.821  -3.975
  101    HB3  LEU  14           HB3      LEU  14   1.313   2.929  -5.615
  102    HG   LEU  14           HG       LEU  14   3.427   3.904  -4.716
  103   HD11  LEU  14          HD11      LEU  14   3.894   3.736  -2.340
  104   HD12  LEU  14          HD12      LEU  14   2.261   3.141  -2.042
  105   HD13  LEU  14          HD13      LEU  14   2.507   4.789  -2.621
  106   HD21  LEU  14          HD21      LEU  14   3.242   1.520  -5.238
  107   HD22  LEU  14          HD22      LEU  14   2.675   1.207  -3.597
  108   HD23  LEU  14          HD23      LEU  14   4.313   1.805  -3.866
  109    H    GLY  15           H        GLY  15   0.376   5.161  -7.220
  110    HA2  GLY  15           HA2      GLY  15   2.909   6.137  -8.025
  111    HA3  GLY  15           HA3      GLY  15   1.422   6.243  -8.955
  112    H    LYS  16           H        LYS  16   0.047   7.702  -6.805
  113    HA   LYS  16           HA       LYS  16   0.678  10.361  -7.522
  114    HB2  LYS  16           HB2      LYS  16  -0.912   9.338  -5.157
  115    HB3  LYS  16           HB3      LYS  16  -0.918  10.993  -5.749
  116    HG2  LYS  16           HG2      LYS  16  -1.867  10.239  -7.868
  117    HG3  LYS  16           HG3      LYS  16  -1.863   8.577  -7.273
  118    HD2  LYS  16           HD2      LYS  16  -3.398   9.211  -5.479
  119    HD3  LYS  16           HD3      LYS  16  -3.390  10.880  -6.055
  120    HE2  LYS  16           HE2      LYS  16  -4.290  10.090  -8.219
  121    HE3  LYS  16           HE3      LYS  16  -4.388   8.461  -7.551
  122    HZ1  LYS  16           HZ1      LYS  16  -5.990   9.200  -5.950
  123    HZ2  LYS  16           HZ2      LYS  16  -6.505   9.702  -7.486
  124    HZ3  LYS  16           HZ3      LYS  16  -5.798  10.821  -6.420
  125    H    VAL  17           H        VAL  17   1.662   8.281  -4.919
  126    HA   VAL  17           HA       VAL  17   2.874  10.306  -3.309
  127    HB   VAL  17           HB       VAL  17   3.338   7.319  -3.327
  128   HG11  VAL  17          HG11      VAL  17   5.140   8.515  -2.212
  129   HG12  VAL  17          HG12      VAL  17   4.163   7.626  -1.043
  130   HG13  VAL  17          HG13      VAL  17   3.967   9.371  -1.212
  131   HG21  VAL  17          HG21      VAL  17   1.001   7.860  -2.922
  132   HG22  VAL  17          HG22      VAL  17   1.470   8.971  -1.637
  133   HG23  VAL  17          HG23      VAL  17   1.765   7.243  -1.455
  134    HA   PRO  18           HA       PRO  18   6.421  11.070  -5.871
  135    HB2  PRO  18           HB2      PRO  18   8.059  11.773  -3.690
  136    HB3  PRO  18           HB3      PRO  18   7.100  12.871  -4.682
  137    HG2  PRO  18           HG2      PRO  18   6.499  11.712  -2.019
  138    HG3  PRO  18           HG3      PRO  18   6.026  13.278  -2.704
  139    HD2  PRO  18           HD2      PRO  18   4.280  11.242  -2.456
  140    HD3  PRO  18           HD3      PRO  18   4.204  12.380  -3.815
  141    H    PHE  19           H        PHE  19   7.943   9.735  -6.609
  142    HA   PHE  19           HA       PHE  19   8.217   7.165  -5.559
  143    HB2  PHE  19           HB2      PHE  19   9.951   6.817  -7.270
  144    HB3  PHE  19           HB3      PHE  19   8.517   7.595  -7.921
  145    HD1  PHE  19           HD2      PHE  19   8.571  10.015  -8.468
  146    HD2  PHE  19           HD1      PHE  19  12.074   7.870  -7.349
  147    HE1  PHE  19           HE2      PHE  19   9.961  11.802  -9.419
  148    HE2  PHE  19           HE1      PHE  19  13.473   9.658  -8.302
  149    HZ   PHE  19           HZ       PHE  19  12.417  11.625  -9.337
  150    H    PHE  20           H        PHE  20   9.772   9.986  -4.583
  151    HA   PHE  20           HA       PHE  20  12.255   8.984  -3.679
  152    HB2  PHE  20           HB2      PHE  20  10.649  11.184  -2.370
  153    HB3  PHE  20           HB3      PHE  20  12.395  10.976  -2.354
  154    HD1  PHE  20           HD2      PHE  20  13.588  11.112  -4.643
  155    HD2  PHE  20           HD1      PHE  20   9.670  12.591  -3.912
  156    HE1  PHE  20           HE2      PHE  20  13.780  12.585  -6.602
  157    HE2  PHE  20           HE1      PHE  20   9.852  14.064  -5.874
  158    HZ   PHE  20           HZ       PHE  20  11.913  14.060  -7.220
  159    H    VAL  21           H        VAL  21   9.055   9.208  -2.196
  160    HA   VAL  21           HA       VAL  21  10.046   7.627   0.082
  161    HB   VAL  21           HB       VAL  21   8.123   8.473   1.361
  162   HG11  VAL  21          HG11      VAL  21  10.230   9.631   1.550
  163   HG12  VAL  21          HG12      VAL  21   8.907  10.798   1.602
  164   HG13  VAL  21          HG13      VAL  21   9.859  10.605   0.128
  165   HG21  VAL  21          HG21      VAL  21   7.597  10.191  -1.068
  166   HG22  VAL  21          HG22      VAL  21   6.776  10.327   0.488
  167   HG23  VAL  21          HG23      VAL  21   6.580   8.872  -0.489
  168    H    ARG  22           H        ARG  22   8.328   7.402  -2.721
  169    HA   ARG  22           HA       ARG  22   6.121   5.817  -2.124
  170    HB2  ARG  22           HB2      ARG  22   6.778   6.790  -4.378
  171    HB3  ARG  22           HB3      ARG  22   7.904   5.450  -4.537
  172    HG2  ARG  22           HG2      ARG  22   6.010   3.882  -4.344
  173    HG3  ARG  22           HG3      ARG  22   4.910   5.262  -4.294
  174    HD2  ARG  22           HD2      ARG  22   5.880   5.968  -6.509
  175    HD3  ARG  22           HD3      ARG  22   6.707   4.412  -6.558
  176    HE   ARG  22           HE       ARG  22   3.783   4.785  -6.573
  177   HH11  ARG  22          HH11      ARG  22   6.637   2.891  -7.316
  178   HH12  ARG  22          HH12      ARG  22   5.749   1.646  -8.154
  179   HH21  ARG  22          HH21      ARG  22   2.610   3.156  -7.687
  180   HH22  ARG  22          HH22      ARG  22   3.449   1.791  -8.357
  181    H    LYS  23           H        LYS  23   9.509   5.018  -2.483
  182    HA   LYS  23           HA       LYS  23   9.343   2.220  -2.362
  183    HB2  LYS  23           HB2      LYS  23  11.563   3.983  -1.309
  184    HB3  LYS  23           HB3      LYS  23  11.694   2.290  -1.767
  185    HG2  LYS  23           HG2      LYS  23  11.311   2.824  -4.079
  186    HG3  LYS  23           HG3      LYS  23  10.977   4.508  -3.672
  187    HD2  LYS  23           HD2      LYS  23  13.218   4.321  -4.551
  188    HD3  LYS  23           HD3      LYS  23  13.296   4.728  -2.838
  189    HE2  LYS  23           HE2      LYS  23  14.944   3.041  -3.340
  190    HE3  LYS  23           HE3      LYS  23  13.684   2.348  -2.321
  191    HZ1  LYS  23           HZ1      LYS  23  13.984   1.996  -5.255
  192    HZ2  LYS  23           HZ2      LYS  23  12.672   1.419  -4.352
  193    HZ3  LYS  23           HZ3      LYS  23  14.231   0.822  -4.060
  194    H    LYS  24           H        LYS  24   9.532   4.688   0.155
  195    HA   LYS  24           HA       LYS  24   9.807   2.931   2.361
  196    HB2  LYS  24           HB2      LYS  24  10.361   5.325   2.494
  197    HB3  LYS  24           HB3      LYS  24   8.672   5.738   2.239
  198    HG2  LYS  24           HG2      LYS  24   8.214   4.375   4.358
  199    HG3  LYS  24           HG3      LYS  24   9.952   4.478   4.636
  200    HD2  LYS  24           HD2      LYS  24   8.054   6.802   4.321
  201    HD3  LYS  24           HD3      LYS  24   8.778   6.245   5.828
  202    HE2  LYS  24           HE2      LYS  24  11.006   6.753   4.922
  203    HE3  LYS  24           HE3      LYS  24  10.258   7.357   3.445
  204    HZ1  LYS  24           HZ1      LYS  24   9.816   8.467   6.166
  205    HZ2  LYS  24           HZ2      LYS  24   9.161   9.071   4.723
  206    HZ3  LYS  24           HZ3      LYS  24  10.834   9.138   4.986
  207    H    VAL  25           H        VAL  25   7.009   4.675   1.030
  208    HA   VAL  25           HA       VAL  25   5.104   3.713   2.841
  209    HB   VAL  25           HB       VAL  25   4.636   4.539  -0.033
  210   HG11  VAL  25          HG11      VAL  25   2.749   4.432   2.319
  211   HG12  VAL  25          HG12      VAL  25   2.731   3.363   0.916
  212   HG13  VAL  25          HG13      VAL  25   2.367   5.078   0.723
  213   HG21  VAL  25          HG21      VAL  25   4.140   6.755   0.902
  214   HG22  VAL  25          HG22      VAL  25   5.813   6.272   1.184
  215   HG23  VAL  25          HG23      VAL  25   4.635   6.183   2.495
  216    H    ARG  26           H        ARG  26   6.162   2.468  -0.288
  217    HA   ARG  26           HA       ARG  26   4.264   0.463  -0.641
  218    HB2  ARG  26           HB2      ARG  26   5.877   1.227  -2.355
  219    HB3  ARG  26           HB3      ARG  26   7.168   0.420  -1.475
  220    HG2  ARG  26           HG2      ARG  26   6.204  -1.727  -1.910
  221    HG3  ARG  26           HG3      ARG  26   4.765  -0.989  -2.619
  222    HD2  ARG  26           HD2      ARG  26   6.243   0.037  -4.353
  223    HD3  ARG  26           HD3      ARG  26   7.582  -0.901  -3.693
  224    HE   ARG  26           HE       ARG  26   6.703  -2.815  -4.641
  225   HH11  ARG  26          HH11      ARG  26   4.448  -0.159  -4.959
  226   HH12  ARG  26          HH12      ARG  26   3.426  -0.977  -6.106
  227   HH21  ARG  26          HH21      ARG  26   5.367  -3.903  -6.143
  228   HH22  ARG  26          HH22      ARG  26   3.948  -3.118  -6.761
  229    H    LYS  27           H        LYS  27   7.369   0.365   1.059
  230    HA   LYS  27           HA       LYS  27   7.173  -2.391   1.739
  231    HB2  LYS  27           HB2      LYS  27   9.331  -1.276   1.643
  232    HB3  LYS  27           HB3      LYS  27   8.852  -0.181   2.932
  233    HG2  LYS  27           HG2      LYS  27   8.829  -1.951   4.528
  234    HG3  LYS  27           HG3      LYS  27   9.053  -3.163   3.263
  235    HD2  LYS  27           HD2      LYS  27  11.034  -0.994   3.951
  236    HD3  LYS  27           HD3      LYS  27  11.130  -2.664   4.513
  237    HE2  LYS  27           HE2      LYS  27  11.234  -3.418   2.167
  238    HE3  LYS  27           HE3      LYS  27  11.206  -1.734   1.644
  239    HZ1  LYS  27           HZ1      LYS  27  13.452  -2.710   1.716
  240    HZ2  LYS  27           HZ2      LYS  27  13.296  -2.907   3.395
  241    HZ3  LYS  27           HZ3      LYS  27  13.288  -1.350   2.718
  242    H    ASN  28           H        ASN  28   6.204   0.603   3.309
  243    HA   ASN  28           HA       ASN  28   5.635  -0.475   5.850
  244    HB2  ASN  28           HB2      ASN  28   4.453   1.917   4.425
  245    HB3  ASN  28           HB3      ASN  28   4.102   1.511   6.101
  246   HD21  ASN  28          HD21      ASN  28   5.310   3.905   5.109
  247   HD22  ASN  28          HD22      ASN  28   6.882   4.007   5.814
  248    H    THR  29           H        THR  29   3.680  -0.159   2.923
  249    HA   THR  29           HA       THR  29   1.289  -1.151   4.070
  250    HB   THR  29           HB       THR  29   1.019  -1.815   1.475
  251    HG1  THR  29           HG1      THR  29   3.135  -1.122   0.955
  252   HG21  THR  29          HG21      THR  29   0.755   0.941   2.670
  253   HG22  THR  29          HG22      THR  29  -0.460  -0.339   2.699
  254   HG23  THR  29          HG23      THR  29   0.003   0.404   1.168
  255    H    ASP  30           H        ASP  30   4.052  -2.730   2.537
  256    HA   ASP  30           HA       ASP  30   2.957  -5.295   2.232
  257    HB2  ASP  30           HB2      ASP  30   5.119  -4.789   1.279
  258    HB3  ASP  30           HB3      ASP  30   5.789  -4.439   2.870
  259    H    ASN  31           H        ASN  31   4.630  -3.792   4.944
  260    HA   ASN  31           HA       ASN  31   4.323  -6.000   6.699
  261    HB2  ASN  31           HB2      ASN  31   4.950  -3.089   7.184
  262    HB3  ASN  31           HB3      ASN  31   4.845  -4.268   8.489
  263   HD21  ASN  31          HD21      ASN  31   6.672  -3.176   5.743
  264   HD22  ASN  31          HD22      ASN  31   8.086  -4.118   6.066
  265    H    TYR  32           H        TYR  32   2.290  -3.267   5.856
  266    HA   TYR  32           HA       TYR  32   0.604  -3.479   8.162
  267    HB2  TYR  32           HB2      TYR  32   0.744  -1.363   6.936
  268    HB3  TYR  32           HB3      TYR  32   0.074  -2.135   5.500
  269    HD1  TYR  32           HD1      TYR  32  -0.730  -1.461   9.073
  270    HD2  TYR  32           HD2      TYR  32  -2.230  -2.075   5.138
  271    HE1  TYR  32           HE1      TYR  32  -2.995  -0.930   9.861
  272    HE2  TYR  32           HE2      TYR  32  -4.506  -1.542   5.916
  273    HH   TYR  32           HH       TYR  32  -5.766  -1.574   8.074
  274    H    ALA  33           H        ALA  33   0.323  -4.518   4.780
  275    HA   ALA  33           HA       ALA  33  -2.215  -5.713   5.031
  276    HB1  ALA  33           HB1      ALA  33   0.017  -6.391   3.114
  277    HB2  ALA  33           HB2      ALA  33  -1.233  -5.172   2.865
  278    HB3  ALA  33           HB3      ALA  33  -1.670  -6.878   2.947
  279    H    ARG  34           H        ARG  34   1.066  -7.031   5.338
  280    HA   ARG  34           HA       ARG  34   0.338  -9.665   5.967
  281    HB2  ARG  34           HB2      ARG  34   2.746  -7.972   6.353
  282    HB3  ARG  34           HB3      ARG  34   2.627  -9.425   7.337
  283    HG2  ARG  34           HG2      ARG  34   2.557 -10.819   5.437
  284    HG3  ARG  34           HG3      ARG  34   2.314  -9.448   4.353
  285    HD2  ARG  34           HD2      ARG  34   4.515  -8.730   4.565
  286    HD3  ARG  34           HD3      ARG  34   4.760  -9.618   6.067
  287    HE   ARG  34           HE       ARG  34   4.443 -11.650   4.427
  288   HH11  ARG  34          HH11      ARG  34   6.107  -8.642   3.687
  289   HH12  ARG  34          HH12      ARG  34   7.354  -9.428   2.769
  290   HH21  ARG  34          HH21      ARG  34   6.097 -12.664   3.203
  291   HH22  ARG  34          HH22      ARG  34   7.359 -11.688   2.508
  292    H    GLU  35           H        GLU  35   0.591  -6.779   7.950
  293    HA   GLU  35           HA       GLU  35   0.459  -8.029  10.462
  294    HB2  GLU  35           HB2      GLU  35   1.192  -5.691  10.081
  295    HB3  GLU  35           HB3      GLU  35  -0.465  -5.253   9.694
  296    HG2  GLU  35           HG2      GLU  35  -1.157  -5.809  11.957
  297    HG3  GLU  35           HG3      GLU  35   0.487  -6.311  12.349
  298    H    ILE  36           H        ILE  36  -2.024  -7.049   8.186
  299    HA   ILE  36           HA       ILE  36  -4.105  -7.760  10.125
  300    HB   ILE  36           HB       ILE  36  -5.702  -6.755   8.533
  301   HG12  ILE  36          HG12      ILE  36  -3.217  -5.997   6.975
  302   HG13  ILE  36          HG13      ILE  36  -4.431  -7.163   6.459
  303   HG21  ILE  36          HG21      ILE  36  -4.777  -5.414  10.330
  304   HG22  ILE  36          HG22      ILE  36  -4.999  -4.424   8.888
  305   HG23  ILE  36          HG23      ILE  36  -3.389  -4.990   9.327
  306   HD11  ILE  36          HD11      ILE  36  -4.715  -5.022   5.342
  307   HD12  ILE  36          HD12      ILE  36  -4.894  -4.222   6.903
  308   HD13  ILE  36          HD13      ILE  36  -6.101  -5.391   6.368
  309    H    GLY  37           H        GLY  37  -2.356  -9.298   7.810
  310    HA2  GLY  37           HA2      GLY  37  -2.607 -11.533   7.204
  311    HA3  GLY  37           HA3      GLY  37  -4.259 -11.480   7.792
  312    H    GLU  38           H        GLU  38  -2.919  -9.232   5.458
  313    HA   GLU  38           HA       GLU  38  -4.666 -10.391   3.382
  314    HB2  GLU  38           HB2      GLU  38  -3.622  -7.572   3.728
  315    HB3  GLU  38           HB3      GLU  38  -4.505  -8.125   2.315
  316    HG2  GLU  38           HG2      GLU  38  -5.607  -8.162   5.111
  317    HG3  GLU  38           HG3      GLU  38  -5.859  -6.852   3.960
  318    HA   PRO  39           HA       PRO  39  -0.663 -11.177   1.408
  319    HB2  PRO  39           HB2      PRO  39  -1.574 -12.954  -0.399
  320    HB3  PRO  39           HB3      PRO  39  -1.307 -13.394   1.292
  321    HG2  PRO  39           HG2      PRO  39  -3.861 -12.741  -0.116
  322    HG3  PRO  39           HG3      PRO  39  -3.535 -13.998   1.091
  323    HD2  PRO  39           HD2      PRO  39  -4.725 -11.585   1.658
  324    HD3  PRO  39           HD3      PRO  39  -3.834 -12.559   2.841
  325    H    VAL  40           H        VAL  40  -3.528  -9.752   0.374
  326    HA   VAL  40           HA       VAL  40  -2.294  -8.848  -2.145
  327    HB   VAL  40           HB       VAL  40  -5.257  -9.118  -1.591
  328   HG11  VAL  40          HG11      VAL  40  -5.500  -8.692  -4.000
  329   HG12  VAL  40          HG12      VAL  40  -3.758  -8.435  -4.116
  330   HG13  VAL  40          HG13      VAL  40  -4.748  -7.337  -3.157
  331   HG21  VAL  40          HG21      VAL  40  -3.449 -10.859  -3.264
  332   HG22  VAL  40          HG22      VAL  40  -5.207 -10.977  -3.202
  333   HG23  VAL  40          HG23      VAL  40  -4.250 -11.319  -1.761
  334    H    VAL  41           H        VAL  41  -1.990  -6.718  -2.317
  335    HA   VAL  41           HA       VAL  41  -3.111  -4.989  -0.235
  336    HB   VAL  41           HB       VAL  41  -0.939  -4.373  -2.254
  337   HG11  VAL  41          HG11      VAL  41  -2.185  -2.396  -1.462
  338   HG12  VAL  41          HG12      VAL  41  -0.505  -2.394  -0.922
  339   HG13  VAL  41          HG13      VAL  41  -1.791  -2.836   0.201
  340   HG21  VAL  41          HG21      VAL  41   0.613  -4.567  -0.360
  341   HG22  VAL  41          HG22      VAL  41  -0.216  -6.091  -0.685
  342   HG23  VAL  41          HG23      VAL  41  -0.723  -5.083   0.670
  343    H    THR  42           H        THR  42  -5.153  -4.578  -0.914
  344    HA   THR  42           HA       THR  42  -5.612  -3.657  -3.644
  345    HB   THR  42           HB       THR  42  -8.042  -3.656  -2.857
  346    HG1  THR  42           HG1      THR  42  -7.368  -5.439  -0.829
  347   HG21  THR  42          HG21      THR  42  -7.118  -5.440  -4.238
  348   HG22  THR  42          HG22      THR  42  -8.237  -6.097  -3.045
  349   HG23  THR  42          HG23      THR  42  -6.496  -6.248  -2.801
  350    H    ALA  43           H        ALA  43  -7.477  -1.846  -3.621
  351    HA   ALA  43           HA       ALA  43  -6.313   0.522  -2.622
  352    HB1  ALA  43           HB1      ALA  43  -8.354   1.638  -3.350
  353    HB2  ALA  43           HB2      ALA  43  -9.154   0.077  -3.537
  354    HB3  ALA  43           HB3      ALA  43  -7.793   0.500  -4.577
  355    H    ASP  44           H        ASP  44  -8.754  -1.662  -1.386
  356    HA   ASP  44           HA       ASP  44  -9.685  -0.150   0.786
  357    HB2  ASP  44           HB2      ASP  44 -10.729  -2.277   0.123
  358    HB3  ASP  44           HB3      ASP  44  -9.278  -3.150   0.611
  359    H    VAL  45           H        VAL  45  -7.035  -2.498   0.606
  360    HA   VAL  45           HA       VAL  45  -6.171  -2.177   3.270
  361    HB   VAL  45           HB       VAL  45  -4.563  -3.098   0.877
  362   HG11  VAL  45          HG11      VAL  45  -3.174  -4.261   2.554
  363   HG12  VAL  45          HG12      VAL  45  -4.089  -3.465   3.835
  364   HG13  VAL  45          HG13      VAL  45  -3.112  -2.506   2.724
  365   HG21  VAL  45          HG21      VAL  45  -5.150  -5.351   1.577
  366   HG22  VAL  45          HG22      VAL  45  -6.601  -4.413   1.222
  367   HG23  VAL  45          HG23      VAL  45  -6.125  -4.704   2.896
  368    H    PHE  46           H        PHE  46  -5.116  -0.656   0.238
  369    HA   PHE  46           HA       PHE  46  -2.905   0.686   1.388
  370    HB2  PHE  46           HB2      PHE  46  -3.212   0.191  -1.051
  371    HB3  PHE  46           HB3      PHE  46  -4.398   1.492  -1.113
  372    HD1  PHE  46           HD1      PHE  46  -1.045   1.171   0.495
  373    HD2  PHE  46           HD2      PHE  46  -3.522   3.291  -2.236
  374    HE1  PHE  46           HE1      PHE  46   0.770   2.787   0.114
  375    HE2  PHE  46           HE2      PHE  46  -1.712   4.909  -2.621
  376    HZ   PHE  46           HZ       PHE  46   0.436   4.663  -1.445
  377    H    ARG  47           H        ARG  47  -6.259   1.670   0.828
  378    HA   ARG  47           HA       ARG  47  -5.890   4.350   1.730
  379    HB2  ARG  47           HB2      ARG  47  -7.816   3.733   0.345
  380    HB3  ARG  47           HB3      ARG  47  -8.397   2.658   1.610
  381    HG2  ARG  47           HG2      ARG  47  -8.736   4.564   3.089
  382    HG3  ARG  47           HG3      ARG  47  -8.129   5.648   1.837
  383    HD2  ARG  47           HD2      ARG  47  -9.970   5.062   0.385
  384    HD3  ARG  47           HD3      ARG  47 -10.548   3.870   1.549
  385    HE   ARG  47           HE       ARG  47 -10.600   6.095   3.022
  386   HH11  ARG  47          HH11      ARG  47 -11.762   5.500  -0.246
  387   HH12  ARG  47          HH12      ARG  47 -13.049   6.672  -0.119
  388   HH21  ARG  47          HH21      ARG  47 -12.303   7.635   3.159
  389   HH22  ARG  47          HH22      ARG  47 -13.336   7.872   1.778
  390    H    LYS  48           H        LYS  48  -6.811   1.316   3.239
  391    HA   LYS  48           HA       LYS  48  -7.446   2.338   5.794
  392    HB2  LYS  48           HB2      LYS  48  -7.877   0.011   4.702
  393    HB3  LYS  48           HB3      LYS  48  -6.291  -0.390   5.330
  394    HG2  LYS  48           HG2      LYS  48  -6.981  -0.319   7.520
  395    HG3  LYS  48           HG3      LYS  48  -8.349   0.743   7.166
  396    HD2  LYS  48           HD2      LYS  48  -8.137  -2.117   6.225
  397    HD3  LYS  48           HD3      LYS  48  -8.992  -1.616   7.686
  398    HE2  LYS  48           HE2      LYS  48 -10.551  -0.327   6.438
  399    HE3  LYS  48           HE3      LYS  48  -9.599  -0.486   4.964
  400    HZ1  LYS  48           HZ1      LYS  48 -10.242  -2.685   4.694
  401    HZ2  LYS  48           HZ2      LYS  48 -11.663  -1.930   5.229
  402    HZ3  LYS  48           HZ3      LYS  48 -10.740  -2.860   6.309
  403    H    ALA  49           H        ALA  49  -4.462   1.343   4.259
  404    HA   ALA  49           HA       ALA  49  -2.799   1.334   6.533
  405    HB1  ALA  49           HB1      ALA  49  -0.949   1.504   4.946
  406    HB2  ALA  49           HB2      ALA  49  -2.086   1.908   3.659
  407    HB3  ALA  49           HB3      ALA  49  -2.140   0.315   4.413
  408    H    LYS  50           H        LYS  50  -3.518   3.875   4.140
  409    HA   LYS  50           HA       LYS  50  -1.854   5.848   5.258
  410    HB2  LYS  50           HB2      LYS  50  -4.393   6.133   3.641
  411    HB3  LYS  50           HB3      LYS  50  -3.321   7.469   4.040
  412    HG2  LYS  50           HG2      LYS  50  -1.494   6.304   2.851
  413    HG3  LYS  50           HG3      LYS  50  -2.648   5.058   2.372
  414    HD2  LYS  50           HD2      LYS  50  -3.975   6.712   1.182
  415    HD3  LYS  50           HD3      LYS  50  -2.879   7.992   1.707
  416    HE2  LYS  50           HE2      LYS  50  -1.040   6.868   0.510
  417    HE3  LYS  50           HE3      LYS  50  -2.181   5.655  -0.063
  418    HZ1  LYS  50           HZ1      LYS  50  -1.798   7.349  -1.732
  419    HZ2  LYS  50           HZ2      LYS  50  -2.291   8.566  -0.660
  420    HZ3  LYS  50           HZ3      LYS  50  -3.404   7.410  -1.201
  421    H    GLU  51           H        GLU  51  -5.164   4.906   5.922
  422    HA   GLU  51           HA       GLU  51  -5.807   6.941   7.764
  423    HB2  GLU  51           HB2      GLU  51  -7.537   5.547   6.831
  424    HB3  GLU  51           HB3      GLU  51  -6.782   4.096   7.472
  425    HG2  GLU  51           HG2      GLU  51  -7.232   4.934   9.760
  426    HG3  GLU  51           HG3      GLU  51  -8.111   6.287   9.046
  427    H    HIS  52           H        HIS  52  -4.300   3.778   8.119
  428    HA   HIS  52           HA       HIS  52  -4.203   3.839  10.969
  429    HB2  HIS  52           HB2      HIS  52  -4.223   1.762   9.585
  430    HB3  HIS  52           HB3      HIS  52  -2.592   2.144   9.055
  431    HD1  HIS  52           HD1      HIS  52  -4.528   1.094  12.105
  432    HD2  HIS  52           HD2      HIS  52  -0.582   1.417  10.818
  433    HE1  HIS  52           HE1      HIS  52  -3.148  -0.119  13.824
  434    HE2  HIS  52           HE2      HIS  52  -0.787  -0.055  12.936
  435    H    LEU  53           H        LEU  53  -2.007   4.765   8.396
  436    HA   LEU  53           HA       LEU  53   0.252   5.143  10.119
  437    HB2  LEU  53           HB2      LEU  53  -0.283   6.085   7.304
  438    HB3  LEU  53           HB3      LEU  53   1.246   6.287   8.138
  439    HG   LEU  53           HG       LEU  53  -0.033   3.645   7.431
  440   HD11  LEU  53          HD11      LEU  53   2.375   5.051   6.283
  441   HD12  LEU  53          HD12      LEU  53   0.825   4.813   5.476
  442   HD13  LEU  53          HD13      LEU  53   1.837   3.424   5.869
  443   HD21  LEU  53          HD21      LEU  53   2.084   2.665   8.190
  444   HD22  LEU  53          HD22      LEU  53   1.241   3.494   9.500
  445   HD23  LEU  53          HD23      LEU  53   2.625   4.259   8.719
  446    H    GLY  54           H        GLY  54  -1.906   7.416   8.384
  447    HA2  GLY  54           HA2      GLY  54  -2.729   9.142  10.121
  448    HA3  GLY  54           HA3      GLY  54  -1.018   9.510  10.249
  449    H    GLY  55           H        GLY  55  -3.537   9.174   7.743
  450    HA2  GLY  55           HA2      GLY  55  -2.300  11.265   6.153
  451    HA3  GLY  55           HA3      GLY  55  -3.784  10.401   5.768
  452    H    LEU  56           H        LEU  56  -2.623  13.369   6.561
  453    HA   LEU  56           HA       LEU  56  -4.635  14.041   8.526
  454    HB2  LEU  56           HB2      LEU  56  -2.325  14.875   8.748
  455    HB3  LEU  56           HB3      LEU  56  -2.540  15.816   7.284
  456    HG   LEU  56           HG       LEU  56  -4.295  17.139   8.373
  457   HD11  LEU  56          HD11      LEU  56  -5.169  15.453   9.890
  458   HD12  LEU  56          HD12      LEU  56  -4.700  16.903  10.780
  459   HD13  LEU  56          HD13      LEU  56  -3.665  15.475  10.809
  460   HD21  LEU  56          HD21      LEU  56  -1.739  16.970   9.965
  461   HD22  LEU  56          HD22      LEU  56  -2.873  18.322   9.982
  462   HD23  LEU  56          HD23      LEU  56  -1.999  17.921   8.503
  463    H    GLU  57           H        GLU  57  -6.428  13.650   7.098
  464    HA   GLU  57           HA       GLU  57  -8.354  14.597   6.421
  465    HB2  GLU  57           HB2      GLU  57  -6.781  17.105   6.891
  466    HB3  GLU  57           HB3      GLU  57  -8.443  17.143   6.316
  467    HG2  GLU  57           HG2      GLU  57  -7.519  15.820   8.860
  468    HG3  GLU  57           HG3      GLU  57  -8.275  17.411   8.752
  469    H    HIS  58           H        HIS  58  -9.456  15.060   4.650
  470    HA   HIS  58           HA       HIS  58  -8.662  16.565   2.442
  471    HB2  HIS  58           HB2      HIS  58  -7.125  14.474   2.226
  472    HB3  HIS  58           HB3      HIS  58  -8.595  13.628   1.754
  473    HD1  HIS  58           HD1      HIS  58  -9.590  14.192  -0.580
  474    HD2  HIS  58           HD2      HIS  58  -6.136  16.311   0.347
  475    HE1  HIS  58           HE1      HIS  58  -8.849  15.251  -2.734
  476    HE2  HIS  58           HE2      HIS  58  -6.820  16.615  -2.132
  477    H    HIS  59           H        HIS  59 -10.880  16.207   4.140
  478    HA   HIS  59           HA       HIS  59 -12.810  14.490   2.842
  479    HB2  HIS  59           HB2      HIS  59 -12.885  16.242   5.280
  480    HB3  HIS  59           HB3      HIS  59 -14.354  15.533   4.622
  481    HD1  HIS  59           HD1      HIS  59 -14.833  13.148   5.167
  482    HD2  HIS  59           HD2      HIS  59 -11.001  14.320   6.281
  483    HE1  HIS  59           HE1      HIS  59 -13.918  11.251   6.548
  484    HE2  HIS  59           HE2      HIS  59 -11.729  12.126   7.439
  485    H    HIS  60           H        HIS  60 -13.135  15.401   0.817
  486    HA   HIS  60           HA       HIS  60 -14.947  17.716   0.965
  487    HB2  HIS  60           HB2      HIS  60 -12.870  17.016  -1.038
  488    HB3  HIS  60           HB3      HIS  60 -14.387  17.657  -1.666
  489    HD1  HIS  60           HD1      HIS  60 -14.316  20.084  -1.966
  490    HD2  HIS  60           HD2      HIS  60 -11.929  18.873   1.214
  491    HE1  HIS  60           HE1      HIS  60 -13.318  22.192  -1.028
  492    HE2  HIS  60           HE2      HIS  60 -12.034  21.451   1.011
  493    H    HIS  61           H        HIS  61 -14.922  14.565   0.972
  494    HA   HIS  61           HA       HIS  61 -17.611  14.302   0.220
  495    HB2  HIS  61           HB2      HIS  61 -17.489  12.872  -1.708
  496    HB3  HIS  61           HB3      HIS  61 -16.591  14.336  -2.083
  497    HD1  HIS  61           HD1      HIS  61 -16.157  10.657  -1.513
  498    HD2  HIS  61           HD2      HIS  61 -13.829  13.968  -2.480
  499    HE1  HIS  61           HE1      HIS  61 -13.949   9.734  -2.271
  500    HE2  HIS  61           HE2      HIS  61 -12.640  11.737  -3.047
  501    H    HIS  62           H        HIS  62 -18.425  12.612   1.355
  502    HA   HIS  62           HA       HIS  62 -16.725  10.783   2.718
  503    HB2  HIS  62           HB2      HIS  62 -18.869   9.511   3.164
  504    HB3  HIS  62           HB3      HIS  62 -18.838  11.173   3.729
  505    HD1  HIS  62           HD1      HIS  62 -21.285  11.682   3.668
  506    HD2  HIS  62           HD2      HIS  62 -19.915  10.102   0.070
  507    HE1  HIS  62           HE1      HIS  62 -23.200  11.903   2.052
  508    HE2  HIS  62           HE2      HIS  62 -22.332  11.015  -0.137
  509    H    HIS  63           H        HIS  63 -16.655   8.456   2.384
  510    HA   HIS  63           HA       HIS  63 -16.091   6.670   1.117
  511    HB2  HIS  63           HB2      HIS  63 -18.479   6.516   0.713
  512    HB3  HIS  63           HB3      HIS  63 -18.367   7.681  -0.601
  513    HD1  HIS  63           HD1      HIS  63 -16.919   4.268   0.258
  514    HD2  HIS  63           HD2      HIS  63 -18.155   6.502  -3.026
  515    HE1  HIS  63           HE1      HIS  63 -16.671   2.748  -1.731
  516    HE2  HIS  63           HE2      HIS  63 -17.184   4.209  -3.722
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1  12.740 -14.572  -2.976
    2    H2   MET   1           H2       MET   1  12.270 -14.323  -1.362
    3    H3   MET   1           H3       MET   1  12.397 -13.010  -2.421
    4    HA   MET   1           HA       MET   1  10.553 -13.676  -3.678
    5    HB2  MET   1           HB2      MET   1  11.061 -16.106  -3.596
    6    HB3  MET   1           HB3      MET   1  10.489 -16.149  -1.934
    7    HG2  MET   1           HG2      MET   1   8.258 -15.619  -2.624
    8    HG3  MET   1           HG3      MET   1   8.787 -15.353  -4.286
    9    HE1  MET   1           HE1      MET   1   6.655 -18.619  -4.597
   10    HE2  MET   1           HE2      MET   1   6.924 -16.990  -5.220
   11    HE3  MET   1           HE3      MET   1   6.339 -17.219  -3.572
   12    H    GLY   2           H        GLY   2   9.787 -11.813  -2.702
   13    HA2  GLY   2           HA2      GLY   2   7.947 -12.231  -0.502
   14    HA3  GLY   2           HA3      GLY   2   9.316 -11.194  -0.131
   15    H    GLU   3           H        GLU   3   7.059 -11.589  -2.835
   16    HA   GLU   3           HA       GLU   3   6.542  -8.696  -2.715
   17    HB2  GLU   3           HB2      GLU   3   7.123 -10.484  -4.970
   18    HB3  GLU   3           HB3      GLU   3   5.700  -9.482  -5.217
   19    HG2  GLU   3           HG2      GLU   3   8.408  -8.428  -4.438
   20    HG3  GLU   3           HG3      GLU   3   7.797  -8.498  -6.092
   21    H    LEU   4           H        LEU   4   4.624  -8.286  -1.890
   22    HA   LEU   4           HA       LEU   4   2.573 -10.256  -1.696
   23    HB2  LEU   4           HB2      LEU   4   2.493  -7.282  -1.187
   24    HB3  LEU   4           HB3      LEU   4   1.200  -8.398  -0.795
   25    HG   LEU   4           HG       LEU   4   3.967  -8.414   0.413
   26   HD11  LEU   4          HD11      LEU   4   2.811  -7.732   2.457
   27   HD12  LEU   4          HD12      LEU   4   1.292  -7.646   1.564
   28   HD13  LEU   4          HD13      LEU   4   2.611  -6.543   1.168
   29   HD21  LEU   4          HD21      LEU   4   1.555 -10.129   0.996
   30   HD22  LEU   4          HD22      LEU   4   3.052 -10.110   1.928
   31   HD23  LEU   4          HD23      LEU   4   3.063 -10.666   0.254
   32    H    SER   5           H        SER   5   0.376  -9.951  -2.545
   33    HA   SER   5           HA       SER   5   0.529  -9.447  -5.368
   34    HB2  SER   5           HB2      SER   5  -1.888 -10.191  -3.707
   35    HB3  SER   5           HB3      SER   5  -1.715 -10.355  -5.455
   36    HG   SER   5           HG       SER   5  -0.476 -12.079  -5.195
   37    H    TRP   6           H        TRP   6   0.659  -7.361  -5.878
   38    HA   TRP   6           HA       TRP   6  -1.156  -5.447  -4.619
   39    HB2  TRP   6           HB2      TRP   6   1.389  -5.214  -6.174
   40    HB3  TRP   6           HB3      TRP   6   0.277  -3.849  -6.144
   41    HD1  TRP   6           HD1      TRP   6   1.914  -6.175  -3.474
   42    HE1  TRP   6           HE1      TRP   6   2.554  -4.698  -1.458
   43    HE3  TRP   6           HE3      TRP   6   0.204  -1.677  -5.190
   44    HZ2  TRP   6           HZ2      TRP   6   2.362  -1.972  -0.706
   45    HZ3  TRP   6           HZ3      TRP   6   0.480   0.317  -3.774
   46    HH2  TRP   6           HH2      TRP   6   1.538   0.170  -1.578
   47    H    THR   7           H        THR   7  -2.891  -4.660  -5.630
   48    HA   THR   7           HA       THR   7  -3.374  -5.488  -8.373
   49    HB   THR   7           HB       THR   7  -5.639  -4.537  -8.030
   50    HG1  THR   7           HG1      THR   7  -6.178  -3.540  -6.194
   51   HG21  THR   7          HG21      THR   7  -5.179  -6.891  -7.492
   52   HG22  THR   7          HG22      THR   7  -6.416  -6.209  -6.437
   53   HG23  THR   7          HG23      THR   7  -4.771  -6.427  -5.841
   54    H    ALA   8           H        ALA   8  -4.353  -3.835  -9.866
   55    HA   ALA   8           HA       ALA   8  -2.459  -1.824 -10.341
   56    HB1  ALA   8           HB1      ALA   8  -5.241  -2.084 -11.470
   57    HB2  ALA   8           HB2      ALA   8  -3.794  -2.869 -12.103
   58    HB3  ALA   8           HB3      ALA   8  -3.933  -1.111 -12.141
   59    H    GLU   9           H        GLU   9  -5.533  -1.766  -8.653
   60    HA   GLU   9           HA       GLU   9  -6.071   0.967  -8.671
   61    HB2  GLU   9           HB2      GLU   9  -6.580  -0.838  -6.303
   62    HB3  GLU   9           HB3      GLU   9  -7.450   0.625  -6.735
   63    HG2  GLU   9           HG2      GLU   9  -8.909  -1.014  -7.395
   64    HG3  GLU   9           HG3      GLU   9  -8.048  -0.680  -8.898
   65    H    ALA  10           H        ALA  10  -4.240  -0.906  -6.266
   66    HA   ALA  10           HA       ALA  10  -3.648   1.283  -4.590
   67    HB1  ALA  10           HB1      ALA  10  -2.028  -0.190  -3.533
   68    HB2  ALA  10           HB2      ALA  10  -2.134  -1.309  -4.891
   69    HB3  ALA  10           HB3      ALA  10  -3.535  -1.050  -3.851
   70    H    GLU  11           H        GLU  11  -1.857  -0.209  -7.253
   71    HA   GLU  11           HA       GLU  11   0.505   1.301  -6.954
   72    HB2  GLU  11           HB2      GLU  11  -0.698  -0.281  -9.189
   73    HB3  GLU  11           HB3      GLU  11   0.719   0.715  -9.497
   74    HG2  GLU  11           HG2      GLU  11   0.583  -1.377  -7.340
   75    HG3  GLU  11           HG3      GLU  11   1.190  -1.682  -8.967
   76    H    LYS  12           H        LYS  12  -2.457   1.926  -8.805
   77    HA   LYS  12           HA       LYS  12  -1.434   4.229 -10.135
   78    HB2  LYS  12           HB2      LYS  12  -4.282   3.377  -9.597
   79    HB3  LYS  12           HB3      LYS  12  -3.829   4.732 -10.625
   80    HG2  LYS  12           HG2      LYS  12  -3.143   1.831 -11.068
   81    HG3  LYS  12           HG3      LYS  12  -4.320   2.790 -11.970
   82    HD2  LYS  12           HD2      LYS  12  -2.572   4.211 -12.829
   83    HD3  LYS  12           HD3      LYS  12  -1.371   3.397 -11.825
   84    HE2  LYS  12           HE2      LYS  12  -1.839   1.297 -13.044
   85    HE3  LYS  12           HE3      LYS  12  -2.939   2.189 -14.095
   86    HZ1  LYS  12           HZ1      LYS  12  -1.130   3.533 -14.868
   87    HZ2  LYS  12           HZ2      LYS  12  -0.693   1.904 -15.044
   88    HZ3  LYS  12           HZ3      LYS  12  -0.056   2.817 -13.767
   89    H    MET  13           H        MET  13  -3.050   3.701  -7.079
   90    HA   MET  13           HA       MET  13  -3.449   6.472  -6.486
   91    HB2  MET  13           HB2      MET  13  -3.405   4.001  -4.745
   92    HB3  MET  13           HB3      MET  13  -3.764   5.608  -4.129
   93    HG2  MET  13           HG2      MET  13  -5.732   5.766  -5.452
   94    HG3  MET  13           HG3      MET  13  -5.318   4.306  -6.346
   95    HE1  MET  13           HE1      MET  13  -6.404   5.734  -2.819
   96    HE2  MET  13           HE2      MET  13  -4.920   4.844  -2.480
   97    HE3  MET  13           HE3      MET  13  -6.464   4.249  -1.872
   98    H    LEU  14           H        LEU  14  -1.020   4.046  -5.635
   99    HA   LEU  14           HA       LEU  14   0.555   5.759  -4.013
  100    HB2  LEU  14           HB2      LEU  14   0.586   3.272  -3.937
  101    HB3  LEU  14           HB3      LEU  14   1.380   3.263  -5.499
  102    HG   LEU  14           HG       LEU  14   3.299   4.478  -4.486
  103   HD11  LEU  14          HD11      LEU  14   1.854   3.945  -1.895
  104   HD12  LEU  14          HD12      LEU  14   2.093   5.529  -2.636
  105   HD13  LEU  14          HD13      LEU  14   3.482   4.602  -2.066
  106   HD21  LEU  14          HD21      LEU  14   2.549   1.863  -3.180
  107   HD22  LEU  14          HD22      LEU  14   4.174   2.544  -3.262
  108   HD23  LEU  14          HD23      LEU  14   3.346   2.058  -4.741
  109    H    GLY  15           H        GLY  15   0.349   5.222  -7.431
  110    HA2  GLY  15           HA2      GLY  15   2.891   6.152  -8.220
  111    HA3  GLY  15           HA3      GLY  15   1.449   6.127  -9.223
  112    H    LYS  16           H        LYS  16   0.192   7.854  -6.991
  113    HA   LYS  16           HA       LYS  16   0.908  10.382  -8.217
  114    HB2  LYS  16           HB2      LYS  16  -1.135   9.679  -6.105
  115    HB3  LYS  16           HB3      LYS  16  -0.950  11.271  -6.833
  116    HG2  LYS  16           HG2      LYS  16  -1.455  10.288  -9.040
  117    HG3  LYS  16           HG3      LYS  16  -1.718   8.731  -8.256
  118    HD2  LYS  16           HD2      LYS  16  -3.536   9.707  -6.937
  119    HD3  LYS  16           HD3      LYS  16  -3.269  11.264  -7.728
  120    HE2  LYS  16           HE2      LYS  16  -5.124  10.126  -8.773
  121    HE3  LYS  16           HE3      LYS  16  -3.770  10.218  -9.898
  122    HZ1  LYS  16           HZ1      LYS  16  -4.579   7.846  -8.303
  123    HZ2  LYS  16           HZ2      LYS  16  -3.211   7.913  -9.303
  124    HZ3  LYS  16           HZ3      LYS  16  -4.758   8.045  -9.977
  125    H    VAL  17           H        VAL  17   2.090   8.566  -5.762
  126    HA   VAL  17           HA       VAL  17   2.824  10.842  -4.069
  127    HB   VAL  17           HB       VAL  17   3.030   7.864  -3.640
  128   HG11  VAL  17          HG11      VAL  17   4.930   8.990  -2.578
  129   HG12  VAL  17          HG12      VAL  17   3.812   8.342  -1.381
  130   HG13  VAL  17          HG13      VAL  17   3.816  10.069  -1.736
  131   HG21  VAL  17          HG21      VAL  17   0.775   8.751  -3.450
  132   HG22  VAL  17          HG22      VAL  17   1.332   9.953  -2.286
  133   HG23  VAL  17          HG23      VAL  17   1.380   8.238  -1.874
  134    HA   PRO  18           HA       PRO  18   6.772  11.131  -6.090
  135    HB2  PRO  18           HB2      PRO  18   8.150  12.127  -3.883
  136    HB3  PRO  18           HB3      PRO  18   7.268  13.092  -5.069
  137    HG2  PRO  18           HG2      PRO  18   6.419  12.173  -2.365
  138    HG3  PRO  18           HG3      PRO  18   6.070  13.701  -3.194
  139    HD2  PRO  18           HD2      PRO  18   4.236  11.752  -2.979
  140    HD3  PRO  18           HD3      PRO  18   4.340  12.772  -4.428
  141    H    PHE  19           H        PHE  19   8.646  10.069  -6.250
  142    HA   PHE  19           HA       PHE  19   8.470   7.404  -5.478
  143    HB2  PHE  19           HB2      PHE  19   9.621   8.378  -7.499
  144    HB3  PHE  19           HB3      PHE  19  10.977   8.767  -6.445
  145    HD1  PHE  19           HD1      PHE  19   8.786   5.897  -7.282
  146    HD2  PHE  19           HD2      PHE  19  12.700   7.260  -6.333
  147    HE1  PHE  19           HE1      PHE  19   9.660   3.610  -7.610
  148    HE2  PHE  19           HE2      PHE  19  13.583   4.982  -6.655
  149    HZ   PHE  19           HZ       PHE  19  12.060   3.154  -7.296
  150    H    PHE  20           H        PHE  20  10.308  10.018  -4.034
  151    HA   PHE  20           HA       PHE  20  12.242   8.602  -2.649
  152    HB2  PHE  20           HB2      PHE  20  10.834  11.051  -1.586
  153    HB3  PHE  20           HB3      PHE  20  12.467  10.517  -1.213
  154    HD1  PHE  20           HD2      PHE  20  14.135  10.437  -3.182
  155    HD2  PHE  20           HD1      PHE  20  10.463  12.583  -3.264
  156    HE1  PHE  20           HE2      PHE  20  14.998  11.836  -5.014
  157    HE2  PHE  20           HE1      PHE  20  11.316  13.984  -5.100
  158    HZ   PHE  20           HZ       PHE  20  13.587  13.613  -5.975
  159    H    VAL  21           H        VAL  21   8.983   9.511  -1.553
  160    HA   VAL  21           HA       VAL  21   9.315   7.753   0.764
  161    HB   VAL  21           HB       VAL  21   7.252   8.743   1.630
  162   HG11  VAL  21          HG11      VAL  21   9.230  10.817   0.684
  163   HG12  VAL  21          HG12      VAL  21   9.374   9.828   2.139
  164   HG13  VAL  21          HG13      VAL  21   8.078  11.016   2.006
  165   HG21  VAL  21          HG21      VAL  21   6.084   9.139  -0.468
  166   HG22  VAL  21          HG22      VAL  21   7.249  10.390  -0.897
  167   HG23  VAL  21          HG23      VAL  21   6.174  10.622   0.481
  168    H    ARG  22           H        ARG  22   7.859   7.827  -2.327
  169    HA   ARG  22           HA       ARG  22   5.580   6.261  -1.999
  170    HB2  ARG  22           HB2      ARG  22   6.239   7.419  -4.102
  171    HB3  ARG  22           HB3      ARG  22   7.486   6.203  -4.347
  172    HG2  ARG  22           HG2      ARG  22   5.644   4.486  -4.289
  173    HG3  ARG  22           HG3      ARG  22   4.510   5.832  -4.373
  174    HD2  ARG  22           HD2      ARG  22   5.731   6.565  -6.462
  175    HD3  ARG  22           HD3      ARG  22   6.567   5.011  -6.411
  176    HE   ARG  22           HE       ARG  22   3.743   5.470  -6.973
  177   HH11  ARG  22          HH11      ARG  22   6.377   3.199  -6.589
  178   HH12  ARG  22          HH12      ARG  22   5.502   1.859  -7.260
  179   HH21  ARG  22          HH21      ARG  22   2.575   3.709  -7.864
  180   HH22  ARG  22          HH22      ARG  22   3.326   2.143  -7.978
  181    H    LYS  23           H        LYS  23   8.907   5.266  -2.675
  182    HA   LYS  23           HA       LYS  23   8.377   2.503  -2.806
  183    HB2  LYS  23           HB2      LYS  23  10.387   3.537  -3.753
  184    HB3  LYS  23           HB3      LYS  23  10.944   3.952  -2.140
  185    HG2  LYS  23           HG2      LYS  23  11.338   1.691  -1.590
  186    HG3  LYS  23           HG3      LYS  23  10.452   1.121  -3.007
  187    HD2  LYS  23           HD2      LYS  23  12.141   2.006  -4.478
  188    HD3  LYS  23           HD3      LYS  23  12.991   2.741  -3.117
  189    HE2  LYS  23           HE2      LYS  23  12.509  -0.219  -3.347
  190    HE3  LYS  23           HE3      LYS  23  13.950   0.571  -3.987
  191    HZ1  LYS  23           HZ1      LYS  23  14.236  -0.381  -1.738
  192    HZ2  LYS  23           HZ2      LYS  23  13.097   0.732  -1.142
  193    HZ3  LYS  23           HZ3      LYS  23  14.553   1.285  -1.809
  194    H    LYS  24           H        LYS  24   9.139   4.659  -0.157
  195    HA   LYS  24           HA       LYS  24   9.568   2.653   1.806
  196    HB2  LYS  24           HB2      LYS  24  10.374   4.932   2.126
  197    HB3  LYS  24           HB3      LYS  24   8.725   5.541   2.090
  198    HG2  LYS  24           HG2      LYS  24   8.236   4.234   4.130
  199    HG3  LYS  24           HG3      LYS  24   9.930   3.741   4.179
  200    HD2  LYS  24           HD2      LYS  24  10.616   6.065   4.400
  201    HD3  LYS  24           HD3      LYS  24   8.932   6.584   4.296
  202    HE2  LYS  24           HE2      LYS  24   8.434   5.320   6.344
  203    HE3  LYS  24           HE3      LYS  24  10.127   4.848   6.454
  204    HZ1  LYS  24           HZ1      LYS  24   9.068   7.620   6.605
  205    HZ2  LYS  24           HZ2      LYS  24  10.713   7.200   6.645
  206    HZ3  LYS  24           HZ3      LYS  24   9.682   6.705   7.897
  207    H    VAL  25           H        VAL  25   6.748   4.641   0.938
  208    HA   VAL  25           HA       VAL  25   4.981   3.645   2.866
  209    HB   VAL  25           HB       VAL  25   4.346   4.677   0.091
  210   HG11  VAL  25          HG11      VAL  25   2.489   3.358   0.973
  211   HG12  VAL  25          HG12      VAL  25   2.085   5.076   0.942
  212   HG13  VAL  25          HG13      VAL  25   2.519   4.299   2.465
  213   HG21  VAL  25          HG21      VAL  25   3.808   6.768   1.276
  214   HG22  VAL  25          HG22      VAL  25   5.503   6.313   1.455
  215   HG23  VAL  25          HG23      VAL  25   4.374   6.042   2.781
  216    H    ARG  26           H        ARG  26   5.826   2.422  -0.337
  217    HA   ARG  26           HA       ARG  26   3.852   0.428  -0.517
  218    HB2  ARG  26           HB2      ARG  26   5.416   1.218  -2.363
  219    HB3  ARG  26           HB3      ARG  26   6.646   0.188  -1.641
  220    HG2  ARG  26           HG2      ARG  26   5.201  -1.764  -1.975
  221    HG3  ARG  26           HG3      ARG  26   3.987  -0.729  -2.724
  222    HD2  ARG  26           HD2      ARG  26   5.688  -0.094  -4.431
  223    HD3  ARG  26           HD3      ARG  26   6.774  -1.289  -3.726
  224    HE   ARG  26           HE       ARG  26   4.383  -1.801  -5.318
  225   HH11  ARG  26          HH11      ARG  26   6.920  -3.128  -3.289
  226   HH12  ARG  26          HH12      ARG  26   6.775  -4.738  -3.932
  227   HH21  ARG  26          HH21      ARG  26   4.226  -3.916  -6.196
  228   HH22  ARG  26          HH22      ARG  26   5.262  -5.179  -5.581
  229    H    LYS  27           H        LYS  27   7.074   0.416   0.953
  230    HA   LYS  27           HA       LYS  27   6.962  -2.333   1.717
  231    HB2  LYS  27           HB2      LYS  27   9.100  -1.120   1.483
  232    HB3  LYS  27           HB3      LYS  27   8.673  -0.119   2.865
  233    HG2  LYS  27           HG2      LYS  27   8.674  -2.064   4.312
  234    HG3  LYS  27           HG3      LYS  27   9.016  -3.110   2.934
  235    HD2  LYS  27           HD2      LYS  27  11.154  -2.014   2.604
  236    HD3  LYS  27           HD3      LYS  27  10.805  -0.899   3.928
  237    HE2  LYS  27           HE2      LYS  27  10.698  -2.800   5.481
  238    HE3  LYS  27           HE3      LYS  27  11.080  -3.895   4.153
  239    HZ1  LYS  27           HZ1      LYS  27  13.214  -2.889   3.914
  240    HZ2  LYS  27           HZ2      LYS  27  13.008  -3.299   5.549
  241    HZ3  LYS  27           HZ3      LYS  27  12.845  -1.684   5.050
  242    H    ASN  28           H        ASN  28   6.080   0.710   3.265
  243    HA   ASN  28           HA       ASN  28   5.525  -0.305   5.824
  244    HB2  ASN  28           HB2      ASN  28   4.555   2.080   4.288
  245    HB3  ASN  28           HB3      ASN  28   3.806   1.674   5.829
  246   HD21  ASN  28          HD21      ASN  28   4.536   3.490   6.866
  247   HD22  ASN  28          HD22      ASN  28   6.192   3.734   7.281
  248    H    THR  29           H        THR  29   3.446   0.002   2.944
  249    HA   THR  29           HA       THR  29   1.176  -1.204   4.143
  250    HB   THR  29           HB       THR  29   0.662  -1.799   1.654
  251    HG1  THR  29           HG1      THR  29   2.925  -1.311   1.049
  252   HG21  THR  29          HG21      THR  29   0.859   1.054   2.612
  253   HG22  THR  29          HG22      THR  29  -0.491  -0.052   2.881
  254   HG23  THR  29          HG23      THR  29  -0.109   0.498   1.249
  255    H    ASP  30           H        ASP  30   4.031  -2.451   2.582
  256    HA   ASP  30           HA       ASP  30   3.244  -5.124   2.225
  257    HB2  ASP  30           HB2      ASP  30   5.245  -4.271   1.172
  258    HB3  ASP  30           HB3      ASP  30   5.957  -3.880   2.731
  259    H    ASN  31           H        ASN  31   4.611  -3.402   4.979
  260    HA   ASN  31           HA       ASN  31   4.639  -5.703   6.689
  261    HB2  ASN  31           HB2      ASN  31   4.976  -2.752   7.172
  262    HB3  ASN  31           HB3      ASN  31   4.893  -3.895   8.508
  263   HD21  ASN  31          HD21      ASN  31   7.092  -2.172   7.634
  264   HD22  ASN  31          HD22      ASN  31   8.428  -3.229   7.344
  265    H    TYR  32           H        TYR  32   2.337  -3.198   5.891
  266    HA   TYR  32           HA       TYR  32   0.663  -3.599   8.175
  267    HB2  TYR  32           HB2      TYR  32   0.622  -1.478   6.999
  268    HB3  TYR  32           HB3      TYR  32   0.102  -2.272   5.517
  269    HD1  TYR  32           HD1      TYR  32  -0.952  -1.420   8.972
  270    HD2  TYR  32           HD2      TYR  32  -2.191  -2.718   5.113
  271    HE1  TYR  32           HE1      TYR  32  -3.304  -1.091   9.617
  272    HE2  TYR  32           HE2      TYR  32  -4.539  -2.387   5.749
  273    HH   TYR  32           HH       TYR  32  -5.893  -2.301   7.788
  274    H    ALA  33           H        ALA  33   0.618  -4.753   4.839
  275    HA   ALA  33           HA       ALA  33  -1.870  -6.013   4.862
  276    HB1  ALA  33           HB1      ALA  33  -1.038  -7.337   2.992
  277    HB2  ALA  33           HB2      ALA  33   0.614  -6.837   3.365
  278    HB3  ALA  33           HB3      ALA  33  -0.572  -5.644   2.833
  279    H    ARG  34           H        ARG  34   1.303  -7.207   5.848
  280    HA   ARG  34           HA       ARG  34   0.591  -9.855   6.435
  281    HB2  ARG  34           HB2      ARG  34   2.730  -8.020   7.467
  282    HB3  ARG  34           HB3      ARG  34   2.539  -9.641   8.123
  283    HG2  ARG  34           HG2      ARG  34   2.940 -10.614   5.975
  284    HG3  ARG  34           HG3      ARG  34   2.957  -9.022   5.213
  285    HD2  ARG  34           HD2      ARG  34   4.948  -8.413   6.401
  286    HD3  ARG  34           HD3      ARG  34   4.888  -9.894   7.354
  287    HE   ARG  34           HE       ARG  34   5.746 -11.076   5.560
  288   HH11  ARG  34          HH11      ARG  34   4.894  -7.844   4.553
  289   HH12  ARG  34          HH12      ARG  34   5.881  -7.880   3.125
  290   HH21  ARG  34          HH21      ARG  34   7.072 -11.136   3.688
  291   HH22  ARG  34          HH22      ARG  34   7.131  -9.743   2.642
  292    H    GLU  35           H        GLU  35   0.172  -6.898   8.234
  293    HA   GLU  35           HA       GLU  35  -0.189  -8.101  10.763
  294    HB2  GLU  35           HB2      GLU  35   0.412  -5.739  10.533
  295    HB3  GLU  35           HB3      GLU  35  -1.123  -5.410   9.743
  296    HG2  GLU  35           HG2      GLU  35  -2.300  -6.048  11.800
  297    HG3  GLU  35           HG3      GLU  35  -0.745  -6.314  12.589
  298    H    ILE  36           H        ILE  36  -2.437  -7.051   8.237
  299    HA   ILE  36           HA       ILE  36  -4.696  -8.006   9.807
  300    HB   ILE  36           HB       ILE  36  -6.096  -7.137   7.944
  301   HG12  ILE  36          HG12      ILE  36  -3.468  -6.082   6.871
  302   HG13  ILE  36          HG13      ILE  36  -4.426  -7.363   6.135
  303   HG21  ILE  36          HG21      ILE  36  -5.671  -4.758   8.431
  304   HG22  ILE  36          HG22      ILE  36  -4.142  -5.209   9.185
  305   HG23  ILE  36          HG23      ILE  36  -5.667  -5.764   9.878
  306   HD11  ILE  36          HD11      ILE  36  -4.758  -5.243   4.996
  307   HD12  ILE  36          HD12      ILE  36  -5.292  -4.500   6.505
  308   HD13  ILE  36          HD13      ILE  36  -6.252  -5.781   5.765
  309    H    GLY  37           H        GLY  37  -2.500  -9.547   8.094
  310    HA2  GLY  37           HA2      GLY  37  -2.466 -11.738   7.386
  311    HA3  GLY  37           HA3      GLY  37  -4.175 -11.839   7.779
  312    H    GLU  38           H        GLU  38  -2.976  -9.415   5.590
  313    HA   GLU  38           HA       GLU  38  -4.467 -10.749   3.437
  314    HB2  GLU  38           HB2      GLU  38  -3.785  -7.849   3.910
  315    HB3  GLU  38           HB3      GLU  38  -4.450  -8.434   2.394
  316    HG2  GLU  38           HG2      GLU  38  -5.778  -8.709   5.077
  317    HG3  GLU  38           HG3      GLU  38  -6.147  -7.464   3.883
  318    HA   PRO  39           HA       PRO  39  -0.477 -11.045   1.381
  319    HB2  PRO  39           HB2      PRO  39  -1.221 -12.837  -0.468
  320    HB3  PRO  39           HB3      PRO  39  -0.948 -13.312   1.213
  321    HG2  PRO  39           HG2      PRO  39  -3.516 -12.836  -0.232
  322    HG3  PRO  39           HG3      PRO  39  -3.120 -14.075   0.969
  323    HD2  PRO  39           HD2      PRO  39  -4.492 -11.723   1.496
  324    HD3  PRO  39           HD3      PRO  39  -3.649 -12.704   2.712
  325    H    VAL  40           H        VAL  40  -3.460  -9.812   0.435
  326    HA   VAL  40           HA       VAL  40  -2.409  -8.867  -2.150
  327    HB   VAL  40           HB       VAL  40  -5.313  -9.329  -1.446
  328   HG11  VAL  40          HG11      VAL  40  -5.709  -8.973  -3.847
  329   HG12  VAL  40          HG12      VAL  40  -4.000  -8.587  -4.059
  330   HG13  VAL  40          HG13      VAL  40  -5.023  -7.548  -3.066
  331   HG21  VAL  40          HG21      VAL  40  -5.207 -11.215  -3.016
  332   HG22  VAL  40          HG22      VAL  40  -4.147 -11.448  -1.625
  333   HG23  VAL  40          HG23      VAL  40  -3.468 -10.966  -3.179
  334    H    VAL  41           H        VAL  41  -2.134  -6.743  -2.279
  335    HA   VAL  41           HA       VAL  41  -3.441  -5.028  -0.279
  336    HB   VAL  41           HB       VAL  41  -1.060  -4.427  -2.051
  337   HG11  VAL  41          HG11      VAL  41  -0.807  -2.406  -0.680
  338   HG12  VAL  41          HG12      VAL  41  -2.308  -2.796   0.160
  339   HG13  VAL  41          HG13      VAL  41  -2.334  -2.413  -1.562
  340   HG21  VAL  41          HG21      VAL  41  -1.209  -4.998   0.906
  341   HG22  VAL  41          HG22      VAL  41   0.237  -4.497   0.032
  342   HG23  VAL  41          HG23      VAL  41  -0.516  -6.052  -0.326
  343    H    THR  42           H        THR  42  -5.275  -4.196  -0.983
  344    HA   THR  42           HA       THR  42  -5.502  -3.330  -3.781
  345    HB   THR  42           HB       THR  42  -7.979  -3.263  -3.263
  346    HG1  THR  42           HG1      THR  42  -7.550  -5.016  -1.122
  347   HG21  THR  42          HG21      THR  42  -6.958  -5.118  -4.502
  348   HG22  THR  42          HG22      THR  42  -8.280  -5.680  -3.477
  349   HG23  THR  42          HG23      THR  42  -6.607  -5.942  -2.981
  350    H    ALA  43           H        ALA  43  -7.307  -1.449  -3.839
  351    HA   ALA  43           HA       ALA  43  -6.190   0.867  -2.745
  352    HB1  ALA  43           HB1      ALA  43  -9.015   0.414  -3.698
  353    HB2  ALA  43           HB2      ALA  43  -7.644   0.897  -4.697
  354    HB3  ALA  43           HB3      ALA  43  -8.251   1.983  -3.448
  355    H    ASP  44           H        ASP  44  -8.736  -1.257  -1.583
  356    HA   ASP  44           HA       ASP  44  -9.673   0.257   0.578
  357    HB2  ASP  44           HB2      ASP  44 -10.853  -1.729  -0.122
  358    HB3  ASP  44           HB3      ASP  44  -9.452  -2.739   0.216
  359    H    VAL  45           H        VAL  45  -7.090  -2.169   0.429
  360    HA   VAL  45           HA       VAL  45  -6.298  -2.022   3.119
  361    HB   VAL  45           HB       VAL  45  -4.589  -2.698   0.715
  362   HG11  VAL  45          HG11      VAL  45  -3.265  -2.205   2.722
  363   HG12  VAL  45          HG12      VAL  45  -3.176  -3.910   2.282
  364   HG13  VAL  45          HG13      VAL  45  -4.199  -3.399   3.625
  365   HG21  VAL  45          HG21      VAL  45  -6.170  -4.511   2.530
  366   HG22  VAL  45          HG22      VAL  45  -5.139  -5.016   1.192
  367   HG23  VAL  45          HG23      VAL  45  -6.601  -4.084   0.872
  368    H    PHE  46           H        PHE  46  -5.262  -0.223   0.258
  369    HA   PHE  46           HA       PHE  46  -3.116   1.165   1.399
  370    HB2  PHE  46           HB2      PHE  46  -3.738   1.043  -1.056
  371    HB3  PHE  46           HB3      PHE  46  -4.969   2.256  -0.725
  372    HD1  PHE  46           HD2      PHE  46  -4.312   4.548  -0.097
  373    HD2  PHE  46           HD1      PHE  46  -1.431   1.617  -1.203
  374    HE1  PHE  46           HE2      PHE  46  -2.643   6.324  -0.442
  375    HE2  PHE  46           HE1      PHE  46   0.241   3.384  -1.550
  376    HZ   PHE  46           HZ       PHE  46  -0.363   5.743  -1.170
  377    H    ARG  47           H        ARG  47  -6.560   2.004   1.209
  378    HA   ARG  47           HA       ARG  47  -6.434   4.551   2.365
  379    HB2  ARG  47           HB2      ARG  47  -8.642   2.498   2.569
  380    HB3  ARG  47           HB3      ARG  47  -8.807   4.199   2.972
  381    HG2  ARG  47           HG2      ARG  47  -8.387   4.813   0.664
  382    HG3  ARG  47           HG3      ARG  47  -8.140   3.115   0.241
  383    HD2  ARG  47           HD2      ARG  47 -10.463   2.657   1.004
  384    HD3  ARG  47           HD3      ARG  47 -10.681   4.388   1.248
  385    HE   ARG  47           HE       ARG  47  -9.797   3.870  -1.394
  386   HH11  ARG  47          HH11      ARG  47 -12.654   3.668   0.648
  387   HH12  ARG  47          HH12      ARG  47 -13.758   3.748  -0.699
  388   HH21  ARG  47          HH21      ARG  47 -11.257   3.973  -3.134
  389   HH22  ARG  47          HH22      ARG  47 -12.968   3.910  -2.834
  390    H    LYS  48           H        LYS  48  -7.021   1.403   3.882
  391    HA   LYS  48           HA       LYS  48  -7.254   2.400   6.517
  392    HB2  LYS  48           HB2      LYS  48  -6.615  -0.369   5.489
  393    HB3  LYS  48           HB3      LYS  48  -6.998   0.003   7.165
  394    HG2  LYS  48           HG2      LYS  48  -9.203   0.663   6.604
  395    HG3  LYS  48           HG3      LYS  48  -8.841   0.624   4.879
  396    HD2  LYS  48           HD2      LYS  48  -8.555  -1.792   4.976
  397    HD3  LYS  48           HD3      LYS  48  -8.848  -1.771   6.717
  398    HE2  LYS  48           HE2      LYS  48 -11.090  -1.021   6.399
  399    HE3  LYS  48           HE3      LYS  48 -10.819  -0.774   4.676
  400    HZ1  LYS  48           HZ1      LYS  48 -10.588  -3.133   4.375
  401    HZ2  LYS  48           HZ2      LYS  48 -12.056  -2.812   5.156
  402    HZ3  LYS  48           HZ3      LYS  48 -10.742  -3.414   6.042
  403    H    ALA  49           H        ALA  49  -4.544   1.096   4.674
  404    HA   ALA  49           HA       ALA  49  -2.691   0.998   6.801
  405    HB1  ALA  49           HB1      ALA  49  -0.983   0.880   5.050
  406    HB2  ALA  49           HB2      ALA  49  -2.195   1.320   3.846
  407    HB3  ALA  49           HB3      ALA  49  -2.333  -0.206   4.720
  408    H    LYS  50           H        LYS  50  -3.415   3.475   4.389
  409    HA   LYS  50           HA       LYS  50  -1.371   5.271   4.946
  410    HB2  LYS  50           HB2      LYS  50  -2.868   5.453   3.013
  411    HB3  LYS  50           HB3      LYS  50  -4.205   5.860   4.079
  412    HG2  LYS  50           HG2      LYS  50  -2.917   7.875   4.793
  413    HG3  LYS  50           HG3      LYS  50  -1.743   7.494   3.531
  414    HD2  LYS  50           HD2      LYS  50  -3.519   7.629   1.849
  415    HD3  LYS  50           HD3      LYS  50  -4.681   8.025   3.116
  416    HE2  LYS  50           HE2      LYS  50  -3.321  10.025   3.666
  417    HE3  LYS  50           HE3      LYS  50  -2.287   9.652   2.284
  418    HZ1  LYS  50           HZ1      LYS  50  -5.185  10.289   2.196
  419    HZ2  LYS  50           HZ2      LYS  50  -4.253   9.840   0.851
  420    HZ3  LYS  50           HZ3      LYS  50  -3.917  11.285   1.669
  421    H    GLU  51           H        GLU  51  -4.656   5.175   6.306
  422    HA   GLU  51           HA       GLU  51  -4.193   7.363   8.063
  423    HB2  GLU  51           HB2      GLU  51  -6.388   5.467   7.542
  424    HB3  GLU  51           HB3      GLU  51  -6.334   6.135   9.168
  425    HG2  GLU  51           HG2      GLU  51  -7.774   7.419   7.648
  426    HG3  GLU  51           HG3      GLU  51  -6.452   8.376   8.309
  427    H    HIS  52           H        HIS  52  -3.790   3.905   8.343
  428    HA   HIS  52           HA       HIS  52  -3.486   3.855  11.180
  429    HB2  HIS  52           HB2      HIS  52  -4.007   1.851   9.766
  430    HB3  HIS  52           HB3      HIS  52  -2.358   1.908   9.156
  431    HD1  HIS  52           HD1      HIS  52  -4.393   0.604  11.904
  432    HD2  HIS  52           HD2      HIS  52  -0.360   1.346  11.200
  433    HE1  HIS  52           HE1      HIS  52  -3.148  -0.679  13.669
  434    HE2  HIS  52           HE2      HIS  52  -0.712  -0.340  13.136
  435    H    LEU  53           H        LEU  53  -1.298   4.288   8.460
  436    HA   LEU  53           HA       LEU  53   1.082   4.251  10.073
  437    HB2  LEU  53           HB2      LEU  53   0.625   5.194   7.240
  438    HB3  LEU  53           HB3      LEU  53   2.195   5.030   8.002
  439    HG   LEU  53           HG       LEU  53   0.282   2.741   7.533
  440   HD11  LEU  53          HD11      LEU  53   1.802   2.084   5.743
  441   HD12  LEU  53          HD12      LEU  53   2.751   3.547   6.003
  442   HD13  LEU  53          HD13      LEU  53   1.087   3.666   5.429
  443   HD21  LEU  53          HD21      LEU  53   1.828   2.457   9.438
  444   HD22  LEU  53          HD22      LEU  53   3.188   2.735   8.348
  445   HD23  LEU  53          HD23      LEU  53   2.149   1.327   8.123
  446    H    GLY  54           H        GLY  54  -0.906   6.739   8.542
  447    HA2  GLY  54           HA2      GLY  54  -1.270   8.892   9.404
  448    HA3  GLY  54           HA3      GLY  54   0.125   8.686  10.455
  449    H    GLY  55           H        GLY  55   1.158  10.568   9.915
  450    HA2  GLY  55           HA2      GLY  55   3.016  10.611   7.916
  451    HA3  GLY  55           HA3      GLY  55   1.591  11.346   7.192
  452    H    LEU  56           H        LEU  56   3.822  12.853   7.386
  453    HA   LEU  56           HA       LEU  56   3.855  14.380   9.815
  454    HB2  LEU  56           HB2      LEU  56   5.160  14.888   7.141
  455    HB3  LEU  56           HB3      LEU  56   5.437  15.849   8.581
  456    HG   LEU  56           HG       LEU  56   6.109  12.921   8.276
  457   HD11  LEU  56          HD11      LEU  56   7.882  15.358   8.334
  458   HD12  LEU  56          HD12      LEU  56   7.555  14.337   6.933
  459   HD13  LEU  56          HD13      LEU  56   8.432  13.682   8.315
  460   HD21  LEU  56          HD21      LEU  56   6.635  14.853  10.532
  461   HD22  LEU  56          HD22      LEU  56   7.267  13.210  10.419
  462   HD23  LEU  56          HD23      LEU  56   5.530  13.477  10.566
  463    H    GLU  57           H        GLU  57   3.449  15.613   6.513
  464    HA   GLU  57           HA       GLU  57   1.033  17.045   7.203
  465    HB2  GLU  57           HB2      GLU  57   3.146  18.345   8.024
  466    HB3  GLU  57           HB3      GLU  57   3.414  18.677   6.321
  467    HG2  GLU  57           HG2      GLU  57   0.748  19.294   7.471
  468    HG3  GLU  57           HG3      GLU  57   2.102  20.337   7.894
  469    H    HIS  58           H        HIS  58   0.103  18.064   5.242
  470    HA   HIS  58           HA       HIS  58   0.331  16.420   2.979
  471    HB2  HIS  58           HB2      HIS  58  -0.916  19.133   3.384
  472    HB3  HIS  58           HB3      HIS  58  -0.925  18.342   1.814
  473    HD1  HIS  58           HD1      HIS  58  -3.383  18.986   3.911
  474    HD2  HIS  58           HD2      HIS  58  -1.712  15.320   2.893
  475    HE1  HIS  58           HE1      HIS  58  -5.161  17.277   4.373
  476    HE2  HIS  58           HE2      HIS  58  -4.064  15.054   3.937
  477    H    HIS  59           H        HIS  59   1.609  19.659   3.631
  478    HA   HIS  59           HA       HIS  59   3.569  20.630   3.023
  479    HB2  HIS  59           HB2      HIS  59   4.538  18.378   3.337
  480    HB3  HIS  59           HB3      HIS  59   4.201  18.011   1.651
  481    HD1  HIS  59           HD1      HIS  59   6.029  18.511   0.045
  482    HD2  HIS  59           HD2      HIS  59   6.461  20.604   3.615
  483    HE1  HIS  59           HE1      HIS  59   8.261  19.666  -0.104
  484    HE2  HIS  59           HE2      HIS  59   8.394  21.092   1.968
  485    H    HIS  60           H        HIS  60   1.381  19.432   0.725
  486    HA   HIS  60           HA       HIS  60   2.332  21.410  -1.211
  487    HB2  HIS  60           HB2      HIS  60   3.082  18.987  -1.741
  488    HB3  HIS  60           HB3      HIS  60   1.391  18.705  -2.138
  489    HD1  HIS  60           HD1      HIS  60   1.106  18.776  -4.591
  490    HD2  HIS  60           HD2      HIS  60   3.894  21.568  -3.265
  491    HE1  HIS  60           HE1      HIS  60   1.889  19.991  -6.653
  492    HE2  HIS  60           HE2      HIS  60   3.752  21.493  -5.847
  493    H    HIS  61           H        HIS  61   0.625  22.727  -0.610
  494    HA   HIS  61           HA       HIS  61  -2.090  21.701  -0.761
  495    HB2  HIS  61           HB2      HIS  61  -2.775  23.949  -0.026
  496    HB3  HIS  61           HB3      HIS  61  -1.565  23.257   1.042
  497    HD1  HIS  61           HD1      HIS  61  -0.421  25.300   1.925
  498    HD2  HIS  61           HD2      HIS  61  -0.818  25.396  -2.215
  499    HE1  HIS  61           HE1      HIS  61   0.829  27.345   1.168
  500    HE2  HIS  61           HE2      HIS  61   0.490  27.440  -1.330
  501    H    HIS  62           H        HIS  62  -3.736  23.052  -1.970
  502    HA   HIS  62           HA       HIS  62  -2.607  23.947  -4.537
  503    HB2  HIS  62           HB2      HIS  62  -5.207  22.482  -4.054
  504    HB3  HIS  62           HB3      HIS  62  -4.701  23.140  -5.607
  505    HD1  HIS  62           HD1      HIS  62  -3.946  20.393  -3.172
  506    HD2  HIS  62           HD2      HIS  62  -2.787  21.647  -6.965
  507    HE1  HIS  62           HE1      HIS  62  -2.583  18.503  -4.125
  508    HE2  HIS  62           HE2      HIS  62  -1.714  19.379  -6.329
  509    H    HIS  63           H        HIS  63  -2.507  26.002  -3.485
  510    HA   HIS  63           HA       HIS  63  -4.851  27.594  -4.004
  511    HB2  HIS  63           HB2      HIS  63  -3.790  27.215  -1.217
  512    HB3  HIS  63           HB3      HIS  63  -4.491  28.757  -1.687
  513    HD1  HIS  63           HD1      HIS  63  -5.432  25.845   0.010
  514    HD2  HIS  63           HD2      HIS  63  -7.226  28.116  -2.980
  515    HE1  HIS  63           HE1      HIS  63  -7.887  25.304   0.124
  516    HE2  HIS  63           HE2      HIS  63  -8.929  26.570  -1.787
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1   5.684 -14.844  -3.261
    2    H2   MET   1           H2       MET   1   5.530 -16.531  -3.282
    3    H3   MET   1           H3       MET   1   7.007 -15.810  -3.696
    4    HA   MET   1           HA       MET   1   5.736 -15.631  -1.031
    5    HB2  MET   1           HB2      MET   1   6.491 -17.932  -1.589
    6    HB3  MET   1           HB3      MET   1   8.097 -17.303  -1.931
    7    HG2  MET   1           HG2      MET   1   8.061 -18.299   0.252
    8    HG3  MET   1           HG3      MET   1   8.284 -16.556   0.399
    9    HE1  MET   1           HE1      MET   1   6.219 -17.323   3.611
   10    HE2  MET   1           HE2      MET   1   7.653 -16.539   2.949
   11    HE3  MET   1           HE3      MET   1   7.506 -18.296   2.898
   12    H    GLY   2           H        GLY   2   6.440 -13.904   0.029
   13    HA2  GLY   2           HA2      GLY   2   8.547 -12.857   0.899
   14    HA3  GLY   2           HA3      GLY   2   9.055 -12.770  -0.781
   15    H    GLU   3           H        GLU   3   7.560 -11.531  -2.242
   16    HA   GLU   3           HA       GLU   3   6.773  -9.058  -0.908
   17    HB2  GLU   3           HB2      GLU   3   7.083  -9.777  -3.824
   18    HB3  GLU   3           HB3      GLU   3   6.500  -8.215  -3.264
   19    HG2  GLU   3           HG2      GLU   3   8.602  -7.827  -2.109
   20    HG3  GLU   3           HG3      GLU   3   9.186  -9.409  -2.625
   21    H    LEU   4           H        LEU   4   4.727  -8.123  -1.166
   22    HA   LEU   4           HA       LEU   4   2.593 -10.069  -1.308
   23    HB2  LEU   4           HB2      LEU   4   2.505  -7.110  -0.725
   24    HB3  LEU   4           HB3      LEU   4   1.170  -8.233  -0.531
   25    HG   LEU   4           HG       LEU   4   3.761  -8.345   1.014
   26   HD11  LEU   4          HD11      LEU   4   2.420  -7.588   2.906
   27   HD12  LEU   4          HD12      LEU   4   1.020  -7.417   1.848
   28   HD13  LEU   4          HD13      LEU   4   2.438  -6.393   1.609
   29   HD21  LEU   4          HD21      LEU   4   2.752 -10.536   0.734
   30   HD22  LEU   4          HD22      LEU   4   1.205  -9.911   1.297
   31   HD23  LEU   4          HD23      LEU   4   2.577  -9.981   2.398
   32    H    SER   5           H        SER   5   0.608  -9.620  -2.511
   33    HA   SER   5           HA       SER   5   1.287  -8.924  -5.236
   34    HB2  SER   5           HB2      SER   5  -0.075 -10.962  -4.628
   35    HB3  SER   5           HB3      SER   5  -1.376  -9.871  -4.155
   36    HG   SER   5           HG       SER   5  -1.716 -10.516  -6.272
   37    H    TRP   6           H        TRP   6   1.232  -6.845  -5.779
   38    HA   TRP   6           HA       TRP   6  -0.688  -5.048  -4.523
   39    HB2  TRP   6           HB2      TRP   6   1.804  -4.672  -6.140
   40    HB3  TRP   6           HB3      TRP   6   0.630  -3.361  -6.038
   41    HD1  TRP   6           HD1      TRP   6   2.531  -5.651  -3.513
   42    HE1  TRP   6           HE1      TRP   6   3.145  -4.200  -1.468
   43    HE3  TRP   6           HE3      TRP   6   0.388  -1.246  -4.965
   44    HZ2  TRP   6           HZ2      TRP   6   2.772  -1.545  -0.604
   45    HZ3  TRP   6           HZ3      TRP   6   0.569   0.702  -3.477
   46    HH2  TRP   6           HH2      TRP   6   1.738   0.553  -1.340
   47    H    THR   7           H        THR   7  -2.427  -4.240  -5.507
   48    HA   THR   7           HA       THR   7  -3.141  -5.290  -8.109
   49    HB   THR   7           HB       THR   7  -5.314  -4.097  -7.691
   50    HG1  THR   7           HG1      THR   7  -4.377  -3.716  -5.037
   51   HG21  THR   7          HG21      THR   7  -6.065  -5.624  -5.932
   52   HG22  THR   7          HG22      THR   7  -4.388  -5.979  -5.520
   53   HG23  THR   7          HG23      THR   7  -5.029  -6.449  -7.094
   54    H    ALA   8           H        ALA   8  -4.260  -3.766  -9.664
   55    HA   ALA   8           HA       ALA   8  -2.478  -1.719 -10.468
   56    HB1  ALA   8           HB1      ALA   8  -3.891  -2.964 -12.041
   57    HB2  ALA   8           HB2      ALA   8  -4.120  -1.221 -12.193
   58    HB3  ALA   8           HB3      ALA   8  -5.324  -2.198 -11.353
   59    H    GLU   9           H        GLU   9  -5.384  -1.751  -8.537
   60    HA   GLU   9           HA       GLU   9  -5.842   1.056  -8.572
   61    HB2  GLU   9           HB2      GLU   9  -6.736  -1.031  -6.585
   62    HB3  GLU   9           HB3      GLU   9  -7.337   0.620  -6.660
   63    HG2  GLU   9           HG2      GLU   9  -8.056   0.114  -9.027
   64    HG3  GLU   9           HG3      GLU   9  -7.707  -1.577  -8.667
   65    H    ALA  10           H        ALA  10  -4.103  -1.131  -6.427
   66    HA   ALA  10           HA       ALA  10  -3.429   0.733  -4.442
   67    HB1  ALA  10           HB1      ALA  10  -3.166  -1.664  -4.128
   68    HB2  ALA  10           HB2      ALA  10  -1.630  -0.836  -3.859
   69    HB3  ALA  10           HB3      ALA  10  -1.913  -1.705  -5.366
   70    H    GLU  11           H        GLU  11  -1.862  -0.142  -7.489
   71    HA   GLU  11           HA       GLU  11   0.402   1.507  -7.219
   72    HB2  GLU  11           HB2      GLU  11  -1.024   0.321  -9.572
   73    HB3  GLU  11           HB3      GLU  11   0.280   1.470  -9.823
   74    HG2  GLU  11           HG2      GLU  11   0.519  -1.089  -8.261
   75    HG3  GLU  11           HG3      GLU  11   1.011  -0.876  -9.941
   76    H    LYS  12           H        LYS  12  -2.861   2.177  -8.383
   77    HA   LYS  12           HA       LYS  12  -2.371   4.726  -9.463
   78    HB2  LYS  12           HB2      LYS  12  -4.874   3.682  -8.124
   79    HB3  LYS  12           HB3      LYS  12  -4.784   5.148  -9.088
   80    HG2  LYS  12           HG2      LYS  12  -4.228   3.856 -11.055
   81    HG3  LYS  12           HG3      LYS  12  -4.228   2.369 -10.099
   82    HD2  LYS  12           HD2      LYS  12  -6.616   2.831  -9.522
   83    HD3  LYS  12           HD3      LYS  12  -6.577   4.178 -10.662
   84    HE2  LYS  12           HE2      LYS  12  -6.028   2.635 -12.475
   85    HE3  LYS  12           HE3      LYS  12  -6.036   1.288 -11.337
   86    HZ1  LYS  12           HZ1      LYS  12  -8.114   1.320 -12.464
   87    HZ2  LYS  12           HZ2      LYS  12  -8.346   2.966 -12.143
   88    HZ3  LYS  12           HZ3      LYS  12  -8.402   1.843 -10.875
   89    H    MET  13           H        MET  13  -3.036   3.648  -6.192
   90    HA   MET  13           HA       MET  13  -3.248   6.322  -5.144
   91    HB2  MET  13           HB2      MET  13  -2.990   3.686  -3.685
   92    HB3  MET  13           HB3      MET  13  -3.489   5.219  -2.980
   93    HG2  MET  13           HG2      MET  13  -5.505   5.234  -4.267
   94    HG3  MET  13           HG3      MET  13  -4.983   3.826  -5.189
   95    HE1  MET  13           HE1      MET  13  -6.477   5.152  -1.829
   96    HE2  MET  13           HE2      MET  13  -4.872   4.630  -1.317
   97    HE3  MET  13           HE3      MET  13  -6.302   3.751  -0.770
   98    H    LEU  14           H        LEU  14  -0.867   3.698  -5.064
   99    HA   LEU  14           HA       LEU  14   1.024   5.071  -3.455
  100    HB2  LEU  14           HB2      LEU  14   1.030   2.628  -3.762
  101    HB3  LEU  14           HB3      LEU  14   1.456   2.840  -5.447
  102    HG   LEU  14           HG       LEU  14   3.594   3.891  -4.740
  103   HD11  LEU  14          HD11      LEU  14   2.737   3.028  -1.984
  104   HD12  LEU  14          HD12      LEU  14   2.892   4.690  -2.550
  105   HD13  LEU  14          HD13      LEU  14   4.319   3.665  -2.425
  106   HD21  LEU  14          HD21      LEU  14   3.095   1.122  -3.656
  107   HD22  LEU  14          HD22      LEU  14   4.673   1.817  -4.022
  108   HD23  LEU  14          HD23      LEU  14   3.515   1.527  -5.320
  109    H    GLY  15           H        GLY  15   0.294   5.113  -6.856
  110    HA2  GLY  15           HA2      GLY  15   2.759   6.252  -7.732
  111    HA3  GLY  15           HA3      GLY  15   1.255   6.205  -8.640
  112    H    LYS  16           H        LYS  16   0.030   7.554  -6.151
  113    HA   LYS  16           HA       LYS  16   0.325  10.252  -7.068
  114    HB2  LYS  16           HB2      LYS  16  -1.033   9.131  -4.608
  115    HB3  LYS  16           HB3      LYS  16  -1.156  10.799  -5.150
  116    HG2  LYS  16           HG2      LYS  16  -2.110   8.370  -6.654
  117    HG3  LYS  16           HG3      LYS  16  -3.119   9.541  -5.800
  118    HD2  LYS  16           HD2      LYS  16  -2.354  11.305  -7.312
  119    HD3  LYS  16           HD3      LYS  16  -1.339  10.140  -8.163
  120    HE2  LYS  16           HE2      LYS  16  -4.339   9.970  -7.920
  121    HE3  LYS  16           HE3      LYS  16  -3.476  10.607  -9.319
  122    HZ1  LYS  16           HZ1      LYS  16  -2.478   8.464  -9.677
  123    HZ2  LYS  16           HZ2      LYS  16  -4.165   8.286  -9.588
  124    HZ3  LYS  16           HZ3      LYS  16  -3.197   7.840  -8.274
  125    H    VAL  17           H        VAL  17   1.833   8.254  -4.754
  126    HA   VAL  17           HA       VAL  17   2.975  10.382  -3.180
  127    HB   VAL  17           HB       VAL  17   3.590   7.426  -3.294
  128   HG11  VAL  17          HG11      VAL  17   4.716   7.733  -1.143
  129   HG12  VAL  17          HG12      VAL  17   4.451   9.473  -1.254
  130   HG13  VAL  17          HG13      VAL  17   5.497   8.665  -2.420
  131   HG21  VAL  17          HG21      VAL  17   1.325   7.868  -2.557
  132   HG22  VAL  17          HG22      VAL  17   1.922   9.001  -1.345
  133   HG23  VAL  17          HG23      VAL  17   2.307   7.285  -1.215
  134    HA   PRO  18           HA       PRO  18   6.370  11.355  -5.902
  135    HB2  PRO  18           HB2      PRO  18   8.250  11.760  -3.856
  136    HB3  PRO  18           HB3      PRO  18   7.209  12.990  -4.576
  137    HG2  PRO  18           HG2      PRO  18   6.868  11.458  -2.048
  138    HG3  PRO  18           HG3      PRO  18   6.417  13.132  -2.421
  139    HD2  PRO  18           HD2      PRO  18   4.580  11.189  -2.287
  140    HD3  PRO  18           HD3      PRO  18   4.449  12.494  -3.482
  141    H    PHE  19           H        PHE  19   7.754  10.070  -6.942
  142    HA   PHE  19           HA       PHE  19   8.028   7.389  -6.226
  143    HB2  PHE  19           HB2      PHE  19   9.598   7.194  -8.110
  144    HB3  PHE  19           HB3      PHE  19   8.144   8.084  -8.541
  145    HD1  PHE  19           HD2      PHE  19   8.239  10.484  -8.959
  146    HD2  PHE  19           HD1      PHE  19  11.747   8.233  -8.101
  147    HE1  PHE  19           HE2      PHE  19   9.624  12.323  -9.827
  148    HE2  PHE  19           HE1      PHE  19  13.141  10.067  -8.966
  149    HZ   PHE  19           HZ       PHE  19  12.081  12.116  -9.832
  150    H    PHE  20           H        PHE  20   9.819  10.050  -5.148
  151    HA   PHE  20           HA       PHE  20  12.316   8.879  -4.608
  152    HB2  PHE  20           HB2      PHE  20  10.902  11.000  -2.980
  153    HB3  PHE  20           HB3      PHE  20  12.630  10.687  -3.020
  154    HD1  PHE  20           HD2      PHE  20  13.942  11.259  -5.035
  155    HD2  PHE  20           HD1      PHE  20   9.841  12.324  -4.635
  156    HE1  PHE  20           HE2      PHE  20  14.195  12.906  -6.845
  157    HE2  PHE  20           HE1      PHE  20  10.088  13.973  -6.445
  158    HZ   PHE  20           HZ       PHE  20  12.268  14.268  -7.548
  159    H    VAL  21           H        VAL  21   9.228   8.760  -2.928
  160    HA   VAL  21           HA       VAL  21  10.513   7.191  -0.789
  161    HB   VAL  21           HB       VAL  21   8.883   8.125   0.808
  162   HG11  VAL  21          HG11      VAL  21  10.552  10.182  -0.626
  163   HG12  VAL  21          HG12      VAL  21  11.097   9.103   0.658
  164   HG13  VAL  21          HG13      VAL  21   9.896  10.350   1.004
  165   HG21  VAL  21          HG21      VAL  21   7.610  10.139   0.199
  166   HG22  VAL  21          HG22      VAL  21   7.105   8.732  -0.735
  167   HG23  VAL  21          HG23      VAL  21   8.140   9.955  -1.474
  168    H    ARG  22           H        ARG  22   8.661   6.774  -3.336
  169    HA   ARG  22           HA       ARG  22   6.274   5.629  -2.457
  170    HB2  ARG  22           HB2      ARG  22   7.972   5.005  -4.872
  171    HB3  ARG  22           HB3      ARG  22   6.420   4.240  -4.578
  172    HG2  ARG  22           HG2      ARG  22   5.402   6.501  -4.517
  173    HG3  ARG  22           HG3      ARG  22   6.961   7.147  -5.034
  174    HD2  ARG  22           HD2      ARG  22   5.757   6.914  -7.027
  175    HD3  ARG  22           HD3      ARG  22   6.789   5.485  -6.976
  176    HE   ARG  22           HE       ARG  22   4.003   5.354  -6.041
  177   HH11  ARG  22          HH11      ARG  22   6.517   4.282  -8.240
  178   HH12  ARG  22          HH12      ARG  22   5.581   2.964  -8.874
  179   HH21  ARG  22          HH21      ARG  22   2.752   3.649  -6.925
  180   HH22  ARG  22          HH22      ARG  22   3.431   2.607  -8.135
  181    H    LYS  23           H        LYS  23   9.508   4.324  -2.655
  182    HA   LYS  23           HA       LYS  23   8.730   1.624  -2.285
  183    HB2  LYS  23           HB2      LYS  23  11.438   2.887  -1.801
  184    HB3  LYS  23           HB3      LYS  23  11.112   1.170  -2.011
  185    HG2  LYS  23           HG2      LYS  23  10.759   3.331  -4.077
  186    HG3  LYS  23           HG3      LYS  23  12.008   2.086  -4.052
  187    HD2  LYS  23           HD2      LYS  23  10.379   0.359  -4.397
  188    HD3  LYS  23           HD3      LYS  23   9.054   1.505  -4.197
  189    HE2  LYS  23           HE2      LYS  23   9.422   0.962  -6.549
  190    HE3  LYS  23           HE3      LYS  23   9.732   2.666  -6.224
  191    HZ1  LYS  23           HZ1      LYS  23  12.066   2.279  -6.283
  192    HZ2  LYS  23           HZ2      LYS  23  11.395   1.584  -7.677
  193    HZ3  LYS  23           HZ3      LYS  23  11.853   0.596  -6.377
  194    H    LYS  24           H        LYS  24   9.455   4.274  -0.166
  195    HA   LYS  24           HA       LYS  24   9.742   2.715   2.213
  196    HB2  LYS  24           HB2      LYS  24   9.014   5.633   1.879
  197    HB3  LYS  24           HB3      LYS  24   9.466   4.866   3.393
  198    HG2  LYS  24           HG2      LYS  24  11.680   4.339   2.400
  199    HG3  LYS  24           HG3      LYS  24  11.213   5.273   0.977
  200    HD2  LYS  24           HD2      LYS  24  12.545   6.646   2.473
  201    HD3  LYS  24           HD3      LYS  24  10.887   7.250   2.410
  202    HE2  LYS  24           HE2      LYS  24  10.409   6.006   4.504
  203    HE3  LYS  24           HE3      LYS  24  12.110   5.551   4.582
  204    HZ1  LYS  24           HZ1      LYS  24  12.695   7.888   4.730
  205    HZ2  LYS  24           HZ2      LYS  24  11.632   7.454   5.980
  206    HZ3  LYS  24           HZ3      LYS  24  11.059   8.331   4.643
  207    H    VAL  25           H        VAL  25   7.124   4.581   0.732
  208    HA   VAL  25           HA       VAL  25   5.153   4.003   2.662
  209    HB   VAL  25           HB       VAL  25   4.726   4.550  -0.283
  210   HG11  VAL  25          HG11      VAL  25   2.751   3.644   0.834
  211   HG12  VAL  25          HG12      VAL  25   2.517   5.338   0.405
  212   HG13  VAL  25          HG13      VAL  25   2.875   4.892   2.074
  213   HG21  VAL  25          HG21      VAL  25   6.071   6.300   0.748
  214   HG22  VAL  25          HG22      VAL  25   4.885   6.466   2.041
  215   HG23  VAL  25          HG23      VAL  25   4.450   6.893   0.389
  216    H    ARG  26           H        ARG  26   6.097   2.387  -0.339
  217    HA   ARG  26           HA       ARG  26   4.162   0.346  -0.284
  218    HB2  ARG  26           HB2      ARG  26   5.538   0.853  -2.263
  219    HB3  ARG  26           HB3      ARG  26   6.963   0.258  -1.423
  220    HG2  ARG  26           HG2      ARG  26   5.943  -1.966  -1.293
  221    HG3  ARG  26           HG3      ARG  26   4.540  -1.362  -2.172
  222    HD2  ARG  26           HD2      ARG  26   5.948  -0.843  -4.087
  223    HD3  ARG  26           HD3      ARG  26   7.371  -1.408  -3.211
  224    HE   ARG  26           HE       ARG  26   5.117  -3.154  -3.978
  225   HH11  ARG  26          HH11      ARG  26   8.527  -2.580  -3.472
  226   HH12  ARG  26          HH12      ARG  26   8.999  -4.176  -3.981
  227   HH21  ARG  26          HH21      ARG  26   5.738  -5.257  -4.660
  228   HH22  ARG  26          HH22      ARG  26   7.426  -5.705  -4.623
  229    H    LYS  27           H        LYS  27   7.295   0.652   1.301
  230    HA   LYS  27           HA       LYS  27   7.416  -2.042   2.205
  231    HB2  LYS  27           HB2      LYS  27   9.398  -0.567   2.060
  232    HB3  LYS  27           HB3      LYS  27   8.749   0.413   3.367
  233    HG2  LYS  27           HG2      LYS  27   8.920  -1.456   4.895
  234    HG3  LYS  27           HG3      LYS  27   9.486  -2.500   3.590
  235    HD2  LYS  27           HD2      LYS  27  11.461  -1.086   3.309
  236    HD3  LYS  27           HD3      LYS  27  10.893  -0.031   4.605
  237    HE2  LYS  27           HE2      LYS  27  12.552  -1.523   5.490
  238    HE3  LYS  27           HE3      LYS  27  10.979  -1.963   6.150
  239    HZ1  LYS  27           HZ1      LYS  27  10.873  -3.689   4.348
  240    HZ2  LYS  27           HZ2      LYS  27  12.042  -3.952   5.544
  241    HZ3  LYS  27           HZ3      LYS  27  12.509  -3.357   4.026
  242    H    ASN  28           H        ASN  28   6.098   0.935   3.533
  243    HA   ASN  28           HA       ASN  28   5.471  -0.067   6.100
  244    HB2  ASN  28           HB2      ASN  28   4.555   2.276   4.482
  245    HB3  ASN  28           HB3      ASN  28   3.658   1.842   5.934
  246   HD21  ASN  28          HD21      ASN  28   6.722   2.966   4.681
  247   HD22  ASN  28          HD22      ASN  28   7.350   3.519   6.194
  248    H    THR  29           H        THR  29   3.629   0.035   3.064
  249    HA   THR  29           HA       THR  29   1.317  -1.208   4.201
  250    HB   THR  29           HB       THR  29   0.961  -1.749   1.639
  251    HG1  THR  29           HG1      THR  29   2.119   0.409   0.788
  252   HG21  THR  29          HG21      THR  29   0.790   1.016   2.827
  253   HG22  THR  29          HG22      THR  29  -0.444  -0.241   2.906
  254   HG23  THR  29          HG23      THR  29  -0.030   0.490   1.357
  255    H    ASP  30           H        ASP  30   4.172  -2.328   2.466
  256    HA   ASP  30           HA       ASP  30   3.561  -4.999   2.076
  257    HB2  ASP  30           HB2      ASP  30   5.601  -4.040   1.212
  258    HB3  ASP  30           HB3      ASP  30   6.179  -3.687   2.834
  259    H    ASN  31           H        ASN  31   4.741  -3.386   4.980
  260    HA   ASN  31           HA       ASN  31   4.702  -5.784   6.559
  261    HB2  ASN  31           HB2      ASN  31   5.091  -2.869   7.182
  262    HB3  ASN  31           HB3      ASN  31   4.881  -4.047   8.475
  263   HD21  ASN  31          HD21      ASN  31   6.938  -2.997   5.858
  264   HD22  ASN  31          HD22      ASN  31   8.347  -3.861   6.373
  265    H    TYR  32           H        TYR  32   2.476  -3.111   5.945
  266    HA   TYR  32           HA       TYR  32   0.844  -3.625   8.224
  267    HB2  TYR  32           HB2      TYR  32   0.914  -1.397   7.224
  268    HB3  TYR  32           HB3      TYR  32   0.229  -2.030   5.728
  269    HD1  TYR  32           HD1      TYR  32  -0.535  -1.886   9.383
  270    HD2  TYR  32           HD2      TYR  32  -2.056  -1.837   5.409
  271    HE1  TYR  32           HE1      TYR  32  -2.796  -1.502  10.258
  272    HE2  TYR  32           HE2      TYR  32  -4.323  -1.447   6.281
  273    HH   TYR  32           HH       TYR  32  -5.583  -1.790   8.343
  274    H    ALA  33           H        ALA  33   0.663  -4.585   4.829
  275    HA   ALA  33           HA       ALA  33  -1.951  -5.632   4.934
  276    HB1  ALA  33           HB1      ALA  33  -0.782  -5.160   2.831
  277    HB2  ALA  33           HB2      ALA  33  -1.394  -6.814   2.890
  278    HB3  ALA  33           HB3      ALA  33   0.319  -6.499   3.153
  279    H    ARG  34           H        ARG  34   1.184  -7.012   5.731
  280    HA   ARG  34           HA       ARG  34   0.269  -9.674   6.155
  281    HB2  ARG  34           HB2      ARG  34   2.609  -8.337   7.525
  282    HB3  ARG  34           HB3      ARG  34   2.387 -10.057   7.222
  283    HG2  ARG  34           HG2      ARG  34   2.591  -9.690   4.845
  284    HG3  ARG  34           HG3      ARG  34   2.745  -7.953   5.114
  285    HD2  ARG  34           HD2      ARG  34   4.772  -8.485   6.530
  286    HD3  ARG  34           HD3      ARG  34   4.667 -10.131   5.903
  287    HE   ARG  34           HE       ARG  34   4.793  -7.940   3.971
  288   HH11  ARG  34          HH11      ARG  34   6.397 -10.592   5.579
  289   HH12  ARG  34          HH12      ARG  34   7.725 -10.633   4.470
  290   HH21  ARG  34          HH21      ARG  34   6.504  -7.999   2.483
  291   HH22  ARG  34          HH22      ARG  34   7.761  -9.187   2.672
  292    H    GLU  35           H        GLU  35   0.483  -6.787   8.083
  293    HA   GLU  35           HA       GLU  35   0.010  -7.896  10.605
  294    HB2  GLU  35           HB2      GLU  35   0.862  -5.616  10.265
  295    HB3  GLU  35           HB3      GLU  35  -0.678  -5.141   9.563
  296    HG2  GLU  35           HG2      GLU  35  -1.772  -5.625  11.722
  297    HG3  GLU  35           HG3      GLU  35  -0.189  -5.990  12.407
  298    H    ILE  36           H        ILE  36  -2.210  -6.678   8.125
  299    HA   ILE  36           HA       ILE  36  -4.509  -7.313   9.789
  300    HB   ILE  36           HB       ILE  36  -5.851  -6.467   7.855
  301   HG12  ILE  36          HG12      ILE  36  -3.118  -5.764   6.758
  302   HG13  ILE  36          HG13      ILE  36  -4.239  -6.928   6.061
  303   HG21  ILE  36          HG21      ILE  36  -5.261  -4.118   8.238
  304   HG22  ILE  36          HG22      ILE  36  -3.744  -4.628   8.976
  305   HG23  ILE  36          HG23      ILE  36  -5.278  -5.047   9.737
  306   HD11  ILE  36          HD11      ILE  36  -4.274  -4.832   4.844
  307   HD12  ILE  36          HD12      ILE  36  -4.702  -3.967   6.320
  308   HD13  ILE  36          HD13      ILE  36  -5.828  -5.130   5.621
  309    H    GLY  37           H        GLY  37  -2.581  -8.937   7.551
  310    HA2  GLY  37           HA2      GLY  37  -2.762 -11.242   7.142
  311    HA3  GLY  37           HA3      GLY  37  -4.445 -11.173   7.634
  312    H    GLU  38           H        GLU  38  -3.272  -8.879   5.329
  313    HA   GLU  38           HA       GLU  38  -4.881 -10.190   3.247
  314    HB2  GLU  38           HB2      GLU  38  -3.917  -7.337   3.529
  315    HB3  GLU  38           HB3      GLU  38  -4.777  -7.952   2.126
  316    HG2  GLU  38           HG2      GLU  38  -5.901  -8.005   4.912
  317    HG3  GLU  38           HG3      GLU  38  -6.162  -6.680   3.779
  318    HA   PRO  39           HA       PRO  39  -0.895 -10.948   1.260
  319    HB2  PRO  39           HB2      PRO  39  -1.770 -12.711  -0.557
  320    HB3  PRO  39           HB3      PRO  39  -1.603 -13.153   1.145
  321    HG2  PRO  39           HG2      PRO  39  -4.063 -12.414  -0.385
  322    HG3  PRO  39           HG3      PRO  39  -3.838 -13.694   0.819
  323    HD2  PRO  39           HD2      PRO  39  -4.971 -11.243   1.350
  324    HD3  PRO  39           HD3      PRO  39  -4.187 -12.267   2.569
  325    H    VAL  40           H        VAL  40  -3.851  -9.743  -0.054
  326    HA   VAL  40           HA       VAL  40  -2.447  -8.782  -2.460
  327    HB   VAL  40           HB       VAL  40  -5.425  -9.164  -2.082
  328   HG11  VAL  40          HG11      VAL  40  -5.587  -8.723  -4.467
  329   HG12  VAL  40          HG12      VAL  40  -3.843  -8.486  -4.558
  330   HG13  VAL  40          HG13      VAL  40  -4.838  -7.360  -3.637
  331   HG21  VAL  40          HG21      VAL  40  -3.455 -10.823  -3.658
  332   HG22  VAL  40          HG22      VAL  40  -5.206 -11.044  -3.635
  333   HG23  VAL  40          HG23      VAL  40  -4.264 -11.308  -2.167
  334    H    VAL  41           H        VAL  41  -1.921  -6.716  -2.333
  335    HA   VAL  41           HA       VAL  41  -3.245  -4.951  -0.462
  336    HB   VAL  41           HB       VAL  41  -1.021  -4.363  -2.431
  337   HG11  VAL  41          HG11      VAL  41  -2.274  -2.350  -1.850
  338   HG12  VAL  41          HG12      VAL  41  -0.667  -2.322  -1.127
  339   HG13  VAL  41          HG13      VAL  41  -2.071  -2.707  -0.134
  340   HG21  VAL  41          HG21      VAL  41   0.452  -4.432  -0.486
  341   HG22  VAL  41          HG22      VAL  41  -0.368  -5.979  -0.713
  342   HG23  VAL  41          HG23      VAL  41  -0.914  -4.867   0.543
  343    H    THR  42           H        THR  42  -5.184  -4.305  -1.045
  344    HA   THR  42           HA       THR  42  -5.690  -3.456  -3.802
  345    HB   THR  42           HB       THR  42  -8.087  -3.376  -3.018
  346    HG1  THR  42           HG1      THR  42  -7.618  -5.030  -0.880
  347   HG21  THR  42          HG21      THR  42  -8.383  -5.811  -3.007
  348   HG22  THR  42          HG22      THR  42  -6.655  -6.016  -2.728
  349   HG23  THR  42          HG23      THR  42  -7.226  -5.308  -4.239
  350    H    ALA  43           H        ALA  43  -7.341  -1.520  -3.851
  351    HA   ALA  43           HA       ALA  43  -6.199   0.799  -2.807
  352    HB1  ALA  43           HB1      ALA  43  -9.067   0.334  -3.624
  353    HB2  ALA  43           HB2      ALA  43  -7.745   0.781  -4.703
  354    HB3  ALA  43           HB3      ALA  43  -8.282   1.905  -3.451
  355    H    ASP  44           H        ASP  44  -8.557  -1.404  -1.468
  356    HA   ASP  44           HA       ASP  44  -9.402   0.264   0.679
  357    HB2  ASP  44           HB2      ASP  44 -10.712  -1.682  -0.152
  358    HB3  ASP  44           HB3      ASP  44  -9.479  -2.756   0.507
  359    H    VAL  45           H        VAL  45  -6.898  -2.188   0.301
  360    HA   VAL  45           HA       VAL  45  -6.067  -2.237   3.008
  361    HB   VAL  45           HB       VAL  45  -4.505  -2.890   0.499
  362   HG11  VAL  45          HG11      VAL  45  -3.861  -3.566   3.370
  363   HG12  VAL  45          HG12      VAL  45  -3.006  -2.389   2.374
  364   HG13  VAL  45          HG13      VAL  45  -2.963  -4.099   1.949
  365   HG21  VAL  45          HG21      VAL  45  -4.990  -5.215   1.090
  366   HG22  VAL  45          HG22      VAL  45  -6.468  -4.293   0.806
  367   HG23  VAL  45          HG23      VAL  45  -5.960  -4.662   2.455
  368    H    PHE  46           H        PHE  46  -5.036  -0.351   0.192
  369    HA   PHE  46           HA       PHE  46  -2.958   1.045   1.534
  370    HB2  PHE  46           HB2      PHE  46  -3.443   0.785  -1.026
  371    HB3  PHE  46           HB3      PHE  46  -4.460   2.204  -0.796
  372    HD1  PHE  46           HD2      PHE  46  -3.478   4.366  -0.278
  373    HD2  PHE  46           HD1      PHE  46  -1.051   0.920  -0.857
  374    HE1  PHE  46           HE2      PHE  46  -1.497   5.805  -0.510
  375    HE2  PHE  46           HE1      PHE  46   0.934   2.354  -1.091
  376    HZ   PHE  46           HZ       PHE  46   0.713   4.799  -0.916
  377    H    ARG  47           H        ARG  47  -6.370   1.685   0.932
  378    HA   ARG  47           HA       ARG  47  -6.674   4.184   2.120
  379    HB2  ARG  47           HB2      ARG  47  -8.593   3.351   1.075
  380    HB3  ARG  47           HB3      ARG  47  -8.446   1.776   1.840
  381    HG2  ARG  47           HG2      ARG  47  -8.864   3.262   4.017
  382    HG3  ARG  47           HG3      ARG  47  -9.705   4.257   2.826
  383    HD2  ARG  47           HD2      ARG  47 -11.165   2.489   2.241
  384    HD3  ARG  47           HD3      ARG  47 -10.176   1.297   3.086
  385    HE   ARG  47           HE       ARG  47 -11.128   3.309   4.859
  386   HH11  ARG  47          HH11      ARG  47 -12.041   0.328   3.230
  387   HH12  ARG  47          HH12      ARG  47 -13.320  -0.025   4.356
  388   HH21  ARG  47          HH21      ARG  47 -12.786   2.822   6.341
  389   HH22  ARG  47          HH22      ARG  47 -13.723   1.368   6.139
  390    H    LYS  48           H        LYS  48  -6.881   0.967   3.592
  391    HA   LYS  48           HA       LYS  48  -7.440   1.881   6.200
  392    HB2  LYS  48           HB2      LYS  48  -7.636  -0.493   5.014
  393    HB3  LYS  48           HB3      LYS  48  -6.071  -0.731   5.781
  394    HG2  LYS  48           HG2      LYS  48  -7.010  -0.324   7.954
  395    HG3  LYS  48           HG3      LYS  48  -8.565   0.107   7.234
  396    HD2  LYS  48           HD2      LYS  48  -8.560  -2.234   6.228
  397    HD3  LYS  48           HD3      LYS  48  -7.243  -2.590   7.350
  398    HE2  LYS  48           HE2      LYS  48  -9.365  -3.271   8.299
  399    HE3  LYS  48           HE3      LYS  48  -8.684  -1.933   9.224
  400    HZ1  LYS  48           HZ1      LYS  48 -11.077  -1.676   8.806
  401    HZ2  LYS  48           HZ2      LYS  48 -10.782  -1.654   7.132
  402    HZ3  LYS  48           HZ3      LYS  48 -10.175  -0.412   8.120
  403    H    ALA  49           H        ALA  49  -4.460   1.102   4.506
  404    HA   ALA  49           HA       ALA  49  -2.686   1.293   6.666
  405    HB1  ALA  49           HB1      ALA  49  -2.208   2.028   3.782
  406    HB2  ALA  49           HB2      ALA  49  -2.016   0.424   4.490
  407    HB3  ALA  49           HB3      ALA  49  -0.961   1.743   4.995
  408    H    LYS  50           H        LYS  50  -3.917   3.770   4.439
  409    HA   LYS  50           HA       LYS  50  -2.499   5.942   5.496
  410    HB2  LYS  50           HB2      LYS  50  -5.149   5.778   4.071
  411    HB3  LYS  50           HB3      LYS  50  -4.461   7.312   4.589
  412    HG2  LYS  50           HG2      LYS  50  -2.474   6.870   3.222
  413    HG3  LYS  50           HG3      LYS  50  -3.198   5.353   2.683
  414    HD2  LYS  50           HD2      LYS  50  -4.978   6.515   1.579
  415    HD3  LYS  50           HD3      LYS  50  -4.476   8.054   2.286
  416    HE2  LYS  50           HE2      LYS  50  -2.401   7.978   1.034
  417    HE3  LYS  50           HE3      LYS  50  -2.827   6.400   0.380
  418    HZ1  LYS  50           HZ1      LYS  50  -4.417   8.867  -0.088
  419    HZ2  LYS  50           HZ2      LYS  50  -4.613   7.364  -0.846
  420    HZ3  LYS  50           HZ3      LYS  50  -3.230   8.286  -1.151
  421    H    GLU  51           H        GLU  51  -5.740   4.719   6.312
  422    HA   GLU  51           HA       GLU  51  -6.305   6.633   8.287
  423    HB2  GLU  51           HB2      GLU  51  -7.310   3.806   7.947
  424    HB3  GLU  51           HB3      GLU  51  -7.955   4.935   9.133
  425    HG2  GLU  51           HG2      GLU  51  -8.489   6.481   7.240
  426    HG3  GLU  51           HG3      GLU  51  -8.035   5.180   6.139
  427    H    HIS  52           H        HIS  52  -4.541   3.608   8.430
  428    HA   HIS  52           HA       HIS  52  -4.467   3.551  11.312
  429    HB2  HIS  52           HB2      HIS  52  -4.510   1.495   9.938
  430    HB3  HIS  52           HB3      HIS  52  -2.925   1.903   9.297
  431    HD1  HIS  52           HD1      HIS  52  -4.582   0.993  12.588
  432    HD2  HIS  52           HD2      HIS  52  -0.820   1.000  10.804
  433    HE1  HIS  52           HE1      HIS  52  -3.080  -0.283  14.153
  434    HE2  HIS  52           HE2      HIS  52  -0.860  -0.416  12.972
  435    H    LEU  53           H        LEU  53  -2.355   4.666   8.739
  436    HA   LEU  53           HA       LEU  53  -0.122   4.969  10.590
  437    HB2  LEU  53           HB2      LEU  53  -0.344   5.508   7.632
  438    HB3  LEU  53           HB3      LEU  53   1.114   5.764   8.569
  439    HG   LEU  53           HG       LEU  53  -0.251   3.106   8.123
  440   HD11  LEU  53          HD11      LEU  53   1.711   2.582   6.775
  441   HD12  LEU  53          HD12      LEU  53   2.342   4.206   7.049
  442   HD13  LEU  53          HD13      LEU  53   0.857   3.983   6.127
  443   HD21  LEU  53          HD21      LEU  53   1.729   2.154   9.213
  444   HD22  LEU  53          HD22      LEU  53   0.824   3.200  10.308
  445   HD23  LEU  53          HD23      LEU  53   2.316   3.782   9.564
  446    H    GLY  54           H        GLY  54  -2.214   7.040   8.594
  447    HA2  GLY  54           HA2      GLY  54  -1.813   9.230  10.426
  448    HA3  GLY  54           HA3      GLY  54  -1.042   9.472   8.865
  449    H    GLY  55           H        GLY  55  -4.175   8.240  10.032
  450    HA2  GLY  55           HA2      GLY  55  -5.578   9.388   7.796
  451    HA3  GLY  55           HA3      GLY  55  -6.299   8.571   9.178
  452    H    LEU  56           H        LEU  56  -4.890  11.588   8.074
  453    HA   LEU  56           HA       LEU  56  -5.540  13.025  10.460
  454    HB2  LEU  56           HB2      LEU  56  -4.754  14.083   7.745
  455    HB3  LEU  56           HB3      LEU  56  -4.748  14.988   9.248
  456    HG   LEU  56           HG       LEU  56  -2.949  12.673   8.532
  457   HD11  LEU  56          HD11      LEU  56  -2.411  15.603   8.975
  458   HD12  LEU  56          HD12      LEU  56  -2.321  14.734   7.442
  459   HD13  LEU  56          HD13      LEU  56  -1.176  14.369   8.733
  460   HD21  LEU  56          HD21      LEU  56  -1.858  13.085  10.686
  461   HD22  LEU  56          HD22      LEU  56  -3.533  12.568  10.892
  462   HD23  LEU  56          HD23      LEU  56  -3.104  14.268  11.088
  463    H    GLU  57           H        GLU  57  -7.260  12.201   7.611
  464    HA   GLU  57           HA       GLU  57  -9.142  14.354   7.755
  465    HB2  GLU  57           HB2      GLU  57  -8.747  13.085   5.664
  466    HB3  GLU  57           HB3      GLU  57  -9.427  11.652   6.421
  467    HG2  GLU  57           HG2      GLU  57 -10.972  12.892   4.896
  468    HG3  GLU  57           HG3      GLU  57 -11.586  12.623   6.527
  469    H    HIS  58           H        HIS  58 -11.168  14.353   8.694
  470    HA   HIS  58           HA       HIS  58 -11.245  12.615  11.041
  471    HB2  HIS  58           HB2      HIS  58 -12.848  15.114  10.479
  472    HB3  HIS  58           HB3      HIS  58 -12.717  14.275  12.020
  473    HD1  HIS  58           HD1      HIS  58 -11.254  16.981  10.106
  474    HD2  HIS  58           HD2      HIS  58  -9.949  14.383  13.081
  475    HE1  HIS  58           HE1      HIS  58  -9.195  18.046  11.083
  476    HE2  HIS  58           HE2      HIS  58  -8.543  16.560  13.008
  477    H    HIS  59           H        HIS  59 -12.207  10.765  10.475
  478    HA   HIS  59           HA       HIS  59 -13.807   9.265   9.910
  479    HB2  HIS  59           HB2      HIS  59 -14.998  10.436  11.740
  480    HB3  HIS  59           HB3      HIS  59 -15.717  11.520  10.554
  481    HD1  HIS  59           HD1      HIS  59 -16.113   8.195  12.105
  482    HD2  HIS  59           HD2      HIS  59 -17.643  10.251   8.825
  483    HE1  HIS  59           HE1      HIS  59 -18.136   6.895  11.367
  484    HE2  HIS  59           HE2      HIS  59 -18.949   8.061   9.286
  485    H    HIS  60           H        HIS  60 -13.454   8.895   7.737
  486    HA   HIS  60           HA       HIS  60 -14.448  10.600   5.700
  487    HB2  HIS  60           HB2      HIS  60 -12.672   8.845   5.351
  488    HB3  HIS  60           HB3      HIS  60 -13.947   7.631   5.432
  489    HD1  HIS  60           HD1      HIS  60 -15.672   7.584   3.427
  490    HD2  HIS  60           HD2      HIS  60 -12.496  10.233   2.961
  491    HE1  HIS  60           HE1      HIS  60 -15.708   8.273   1.009
  492    HE2  HIS  60           HE2      HIS  60 -13.891  10.000   0.790
  493    H    HIS  61           H        HIS  61 -16.426  10.898   5.044
  494    HA   HIS  61           HA       HIS  61 -18.471   8.889   5.718
  495    HB2  HIS  61           HB2      HIS  61 -20.107  10.791   5.717
  496    HB3  HIS  61           HB3      HIS  61 -18.912  10.878   7.005
  497    HD1  HIS  61           HD1      HIS  61 -20.351  12.811   4.275
  498    HD2  HIS  61           HD2      HIS  61 -16.815  12.828   6.468
  499    HE1  HIS  61           HE1      HIS  61 -19.299  15.058   3.857
  500    HE2  HIS  61           HE2      HIS  61 -17.157  15.052   5.197
  501    H    HIS  62           H        HIS  62 -20.429   9.090   4.195
  502    HA   HIS  62           HA       HIS  62 -19.456   8.509   1.593
  503    HB2  HIS  62           HB2      HIS  62 -21.591   7.642   2.822
  504    HB3  HIS  62           HB3      HIS  62 -22.353   9.086   2.162
  505    HD1  HIS  62           HD1      HIS  62 -22.373   9.247  -0.532
  506    HD2  HIS  62           HD2      HIS  62 -21.327   5.560   1.092
  507    HE1  HIS  62           HE1      HIS  62 -22.609   7.588  -2.403
  508    HE2  HIS  62           HE2      HIS  62 -22.205   5.343  -1.331
  509    H    HIS  63           H        HIS  63 -18.964   9.888   0.030
  510    HA   HIS  63           HA       HIS  63 -20.399  12.423  -0.173
  511    HB2  HIS  63           HB2      HIS  63 -18.370  12.838   1.222
  512    HB3  HIS  63           HB3      HIS  63 -17.376  12.274  -0.118
  513    HD1  HIS  63           HD1      HIS  63 -16.808  13.936  -1.912
  514    HD2  HIS  63           HD2      HIS  63 -19.765  15.304   0.674
  515    HE1  HIS  63           HE1      HIS  63 -17.139  16.367  -2.482
  516    HE2  HIS  63           HE2      HIS  63 -19.046  17.128  -1.016
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1  11.394  -7.672  -3.644
    2    H2   MET   1           H2       MET   1  12.620  -8.612  -4.355
    3    H3   MET   1           H3       MET   1  12.941  -7.717  -2.955
    4    HA   MET   1           HA       MET   1  10.996  -9.935  -3.102
    5    HB2  MET   1           HB2      MET   1  13.323 -10.715  -3.417
    6    HB3  MET   1           HB3      MET   1  13.787  -9.900  -1.928
    7    HG2  MET   1           HG2      MET   1  13.509 -12.246  -1.507
    8    HG3  MET   1           HG3      MET   1  12.241 -11.347  -0.677
    9    HE1  MET   1           HE1      MET   1  10.383 -14.648  -1.609
   10    HE2  MET   1           HE2      MET   1  10.780 -13.508  -0.322
   11    HE3  MET   1           HE3      MET   1  12.056 -14.466  -1.078
   12    H    GLY   2           H        GLY   2   9.479  -9.536  -1.654
   13    HA2  GLY   2           HA2      GLY   2   9.359  -9.578   0.914
   14    HA3  GLY   2           HA3      GLY   2  10.215  -8.047   0.789
   15    H    GLU   3           H        GLU   3   8.710  -7.376  -1.688
   16    HA   GLU   3           HA       GLU   3   6.517  -6.041  -0.423
   17    HB2  GLU   3           HB2      GLU   3   7.296  -6.243  -3.340
   18    HB3  GLU   3           HB3      GLU   3   6.090  -5.139  -2.689
   19    HG2  GLU   3           HG2      GLU   3   7.729  -3.915  -1.492
   20    HG3  GLU   3           HG3      GLU   3   8.958  -5.142  -1.790
   21    H    LEU   4           H        LEU   4   4.279  -6.248  -1.011
   22    HA   LEU   4           HA       LEU   4   3.579  -9.045  -1.424
   23    HB2  LEU   4           HB2      LEU   4   1.963  -6.654  -0.561
   24    HB3  LEU   4           HB3      LEU   4   1.286  -8.257  -0.779
   25    HG   LEU   4           HG       LEU   4   3.443  -7.529   1.206
   26   HD11  LEU   4          HD11      LEU   4   0.535  -8.197   1.630
   27   HD12  LEU   4          HD12      LEU   4   1.248  -6.591   1.763
   28   HD13  LEU   4          HD13      LEU   4   1.725  -7.862   2.887
   29   HD21  LEU   4          HD21      LEU   4   1.936 -10.105   0.782
   30   HD22  LEU   4          HD22      LEU   4   3.094  -9.781   2.073
   31   HD23  LEU   4          HD23      LEU   4   3.633  -9.824   0.392
   32    H    SER   5           H        SER   5   1.082  -8.928  -2.422
   33    HA   SER   5           HA       SER   5   1.607  -8.323  -5.213
   34    HB2  SER   5           HB2      SER   5   0.605 -10.517  -4.432
   35    HB3  SER   5           HB3      SER   5  -0.860  -9.620  -4.033
   36    HG   SER   5           HG       SER   5   0.353  -9.657  -6.600
   37    H    TRP   6           H        TRP   6   1.320  -6.253  -5.683
   38    HA   TRP   6           HA       TRP   6  -0.931  -4.798  -4.541
   39    HB2  TRP   6           HB2      TRP   6   1.538  -3.938  -6.037
   40    HB3  TRP   6           HB3      TRP   6   0.197  -2.835  -5.743
   41    HD1  TRP   6           HD1      TRP   6   2.515  -5.127  -3.603
   42    HE1  TRP   6           HE1      TRP   6   2.966  -3.919  -1.368
   43    HE3  TRP   6           HE3      TRP   6  -0.381  -0.977  -4.349
   44    HZ2  TRP   6           HZ2      TRP   6   2.185  -1.514  -0.113
   45    HZ3  TRP   6           HZ3      TRP   6  -0.476   0.729  -2.576
   46    HH2  TRP   6           HH2      TRP   6   0.781   0.463  -0.504
   47    H    THR   7           H        THR   7  -2.672  -4.193  -5.648
   48    HA   THR   7           HA       THR   7  -2.978  -5.201  -8.353
   49    HB   THR   7           HB       THR   7  -5.370  -4.393  -8.016
   50    HG1  THR   7           HG1      THR   7  -5.482  -4.360  -5.418
   51   HG21  THR   7          HG21      THR   7  -4.734  -6.734  -7.732
   52   HG22  THR   7          HG22      THR   7  -5.941  -6.272  -6.533
   53   HG23  THR   7          HG23      THR   7  -4.244  -6.413  -6.070
   54    H    ALA   8           H        ALA   8  -4.387  -3.718  -9.817
   55    HA   ALA   8           HA       ALA   8  -2.809  -1.481 -10.498
   56    HB1  ALA   8           HB1      ALA   8  -4.511  -1.011 -12.181
   57    HB2  ALA   8           HB2      ALA   8  -5.612  -2.147 -11.401
   58    HB3  ALA   8           HB3      ALA   8  -4.123  -2.729 -12.145
   59    H    GLU   9           H        GLU   9  -5.854  -1.800  -8.739
   60    HA   GLU   9           HA       GLU   9  -6.489   0.940  -8.609
   61    HB2  GLU   9           HB2      GLU   9  -7.915   0.277  -6.660
   62    HB3  GLU   9           HB3      GLU   9  -8.195  -0.652  -8.124
   63    HG2  GLU   9           HG2      GLU   9  -6.902  -2.494  -7.230
   64    HG3  GLU   9           HG3      GLU   9  -6.547  -1.564  -5.776
   65    H    ALA  10           H        ALA  10  -4.457  -1.107  -6.606
   66    HA   ALA  10           HA       ALA  10  -4.057   0.834  -4.550
   67    HB1  ALA  10           HB1      ALA  10  -2.430  -1.610  -5.245
   68    HB2  ALA  10           HB2      ALA  10  -3.795  -1.557  -4.130
   69    HB3  ALA  10           HB3      ALA  10  -2.314  -0.677  -3.753
   70    H    GLU  11           H        GLU  11  -2.042  -0.324  -7.251
   71    HA   GLU  11           HA       GLU  11   0.099   1.445  -6.800
   72    HB2  GLU  11           HB2      GLU  11  -0.788  -0.263  -9.066
   73    HB3  GLU  11           HB3      GLU  11   0.420   0.972  -9.392
   74    HG2  GLU  11           HG2      GLU  11   0.670  -1.140  -7.258
   75    HG3  GLU  11           HG3      GLU  11   1.386  -1.241  -8.866
   76    H    LYS  12           H        LYS  12  -2.904   1.848  -8.557
   77    HA   LYS  12           HA       LYS  12  -2.185   4.209  -9.953
   78    HB2  LYS  12           HB2      LYS  12  -4.179   2.701 -10.397
   79    HB3  LYS  12           HB3      LYS  12  -4.949   3.441  -9.004
   80    HG2  LYS  12           HG2      LYS  12  -4.872   5.615 -10.101
   81    HG3  LYS  12           HG3      LYS  12  -4.076   4.885 -11.499
   82    HD2  LYS  12           HD2      LYS  12  -6.047   3.388 -11.768
   83    HD3  LYS  12           HD3      LYS  12  -6.842   4.262 -10.461
   84    HE2  LYS  12           HE2      LYS  12  -7.616   5.073 -12.608
   85    HE3  LYS  12           HE3      LYS  12  -6.702   6.329 -11.775
   86    HZ1  LYS  12           HZ1      LYS  12  -6.141   6.160 -14.139
   87    HZ2  LYS  12           HZ2      LYS  12  -5.608   4.564 -13.901
   88    HZ3  LYS  12           HZ3      LYS  12  -4.803   5.851 -13.146
   89    H    MET  13           H        MET  13  -3.510   3.590  -6.763
   90    HA   MET  13           HA       MET  13  -3.880   6.385  -6.160
   91    HB2  MET  13           HB2      MET  13  -4.051   3.886  -4.480
   92    HB3  MET  13           HB3      MET  13  -4.335   5.500  -3.837
   93    HG2  MET  13           HG2      MET  13  -6.207   5.818  -5.276
   94    HG3  MET  13           HG3      MET  13  -5.857   4.328  -6.146
   95    HE1  MET  13           HE1      MET  13  -6.946   5.826  -2.650
   96    HE2  MET  13           HE2      MET  13  -5.589   4.772  -2.255
   97    HE3  MET  13           HE3      MET  13  -7.217   4.342  -1.735
   98    H    LEU  14           H        LEU  14  -1.508   3.891  -5.474
   99    HA   LEU  14           HA       LEU  14   0.052   5.509  -3.699
  100    HB2  LEU  14           HB2      LEU  14   0.032   3.054  -3.585
  101    HB3  LEU  14           HB3      LEU  14   0.760   2.974  -5.178
  102    HG   LEU  14           HG       LEU  14   2.791   4.056  -4.285
  103   HD11  LEU  14          HD11      LEU  14   3.071   4.318  -1.878
  104   HD12  LEU  14          HD12      LEU  14   1.399   3.818  -1.624
  105   HD13  LEU  14          HD13      LEU  14   1.748   5.325  -2.470
  106   HD21  LEU  14          HD21      LEU  14   3.556   2.157  -2.936
  107   HD22  LEU  14          HD22      LEU  14   2.660   1.633  -4.363
  108   HD23  LEU  14          HD23      LEU  14   1.887   1.610  -2.778
  109    H    GLY  15           H        GLY  15  -0.288   5.327  -7.067
  110    HA2  GLY  15           HA2      GLY  15   2.289   5.955  -7.977
  111    HA3  GLY  15           HA3      GLY  15   0.793   6.325  -8.817
  112    H    LYS  16           H        LYS  16  -0.040   7.899  -6.362
  113    HA   LYS  16           HA       LYS  16   0.843  10.460  -7.165
  114    HB2  LYS  16           HB2      LYS  16  -0.496   9.465  -4.653
  115    HB3  LYS  16           HB3      LYS  16  -0.129  11.162  -4.923
  116    HG2  LYS  16           HG2      LYS  16  -1.886   9.470  -6.692
  117    HG3  LYS  16           HG3      LYS  16  -2.457  10.606  -5.464
  118    HD2  LYS  16           HD2      LYS  16  -1.271  12.422  -6.671
  119    HD3  LYS  16           HD3      LYS  16  -0.847  11.265  -7.932
  120    HE2  LYS  16           HE2      LYS  16  -2.782  12.557  -8.603
  121    HE3  LYS  16           HE3      LYS  16  -3.238  10.872  -8.346
  122    HZ1  LYS  16           HZ1      LYS  16  -3.605  13.005  -6.309
  123    HZ2  LYS  16           HZ2      LYS  16  -4.218  11.419  -6.264
  124    HZ3  LYS  16           HZ3      LYS  16  -4.815  12.527  -7.398
  125    H    VAL  17           H        VAL  17   2.187   8.095  -5.063
  126    HA   VAL  17           HA       VAL  17   3.786   9.933  -3.525
  127    HB   VAL  17           HB       VAL  17   3.861   6.914  -3.697
  128   HG11  VAL  17          HG11      VAL  17   5.129   7.006  -1.610
  129   HG12  VAL  17          HG12      VAL  17   5.151   8.767  -1.693
  130   HG13  VAL  17          HG13      VAL  17   5.993   7.815  -2.918
  131   HG21  VAL  17          HG21      VAL  17   2.602   8.749  -1.661
  132   HG22  VAL  17          HG22      VAL  17   2.668   6.990  -1.558
  133   HG23  VAL  17          HG23      VAL  17   1.745   7.764  -2.847
  134    HA   PRO  18           HA       PRO  18   7.010  10.222  -6.626
  135    HB2  PRO  18           HB2      PRO  18   8.517  11.381  -4.357
  136    HB3  PRO  18           HB3      PRO  18   8.154  12.080  -5.937
  137    HG2  PRO  18           HG2      PRO  18   6.923  12.954  -3.738
  138    HG3  PRO  18           HG3      PRO  18   6.058  12.817  -5.280
  139    HD2  PRO  18           HD2      PRO  18   6.004  10.986  -2.912
  140    HD3  PRO  18           HD3      PRO  18   4.664  11.533  -3.941
  141    H    PHE  19           H        PHE  19   9.199   9.470  -6.894
  142    HA   PHE  19           HA       PHE  19   9.368   6.815  -5.878
  143    HB2  PHE  19           HB2      PHE  19  10.033   7.748  -8.205
  144    HB3  PHE  19           HB3      PHE  19  11.563   8.152  -7.432
  145    HD1  PHE  19           HD1      PHE  19   9.240   5.342  -8.061
  146    HD2  PHE  19           HD2      PHE  19  13.236   6.546  -7.236
  147    HE1  PHE  19           HE1      PHE  19  10.010   3.033  -8.439
  148    HE2  PHE  19           HE2      PHE  19  14.014   4.241  -7.609
  149    HZ   PHE  19           HZ       PHE  19  12.397   2.481  -8.210
  150    H    PHE  20           H        PHE  20  10.470   9.739  -4.647
  151    HA   PHE  20           HA       PHE  20  12.898   8.980  -3.430
  152    HB2  PHE  20           HB2      PHE  20  10.829  10.943  -2.414
  153    HB3  PHE  20           HB3      PHE  20  12.499  10.835  -1.872
  154    HD1  PHE  20           HD2      PHE  20  14.320  11.557  -3.334
  155    HD2  PHE  20           HD1      PHE  20  10.244  11.995  -4.453
  156    HE1  PHE  20           HE2      PHE  20  14.980  13.156  -5.086
  157    HE2  PHE  20           HE1      PHE  20  10.891  13.595  -6.209
  158    HZ   PHE  20           HZ       PHE  20  13.264  14.178  -6.524
  159    H    VAL  21           H        VAL  21   9.541   8.837  -2.330
  160    HA   VAL  21           HA       VAL  21  10.420   7.148  -0.078
  161    HB   VAL  21           HB       VAL  21   8.544   8.022   1.223
  162   HG11  VAL  21          HG11      VAL  21  10.248  10.209   0.030
  163   HG12  VAL  21          HG12      VAL  21  10.694   9.161   1.377
  164   HG13  VAL  21          HG13      VAL  21   9.367  10.307   1.556
  165   HG21  VAL  21          HG21      VAL  21   7.211   9.908   0.417
  166   HG22  VAL  21          HG22      VAL  21   7.001   8.495  -0.617
  167   HG23  VAL  21          HG23      VAL  21   8.029   9.827  -1.144
  168    H    ARG  22           H        ARG  22   9.177   6.835  -2.948
  169    HA   ARG  22           HA       ARG  22   6.633   5.754  -2.803
  170    HB2  ARG  22           HB2      ARG  22   7.797   6.329  -4.896
  171    HB3  ARG  22           HB3      ARG  22   8.886   4.972  -4.663
  172    HG2  ARG  22           HG2      ARG  22   7.233   4.399  -6.299
  173    HG3  ARG  22           HG3      ARG  22   6.963   3.439  -4.847
  174    HD2  ARG  22           HD2      ARG  22   4.964   4.395  -4.430
  175    HD3  ARG  22           HD3      ARG  22   5.498   5.987  -4.973
  176    HE   ARG  22           HE       ARG  22   4.749   5.506  -7.092
  177   HH11  ARG  22          HH11      ARG  22   4.712   2.544  -5.207
  178   HH12  ARG  22          HH12      ARG  22   3.813   1.652  -6.401
  179   HH21  ARG  22          HH21      ARG  22   3.599   4.315  -8.658
  180   HH22  ARG  22          HH22      ARG  22   3.208   2.638  -8.350
  181    H    LYS  23           H        LYS  23   9.767   4.091  -2.540
  182    HA   LYS  23           HA       LYS  23   8.590   1.513  -2.213
  183    HB2  LYS  23           HB2      LYS  23  10.873   1.796  -3.075
  184    HB3  LYS  23           HB3      LYS  23  11.379   2.466  -1.528
  185    HG2  LYS  23           HG2      LYS  23  10.943   0.351  -0.431
  186    HG3  LYS  23           HG3      LYS  23  10.326  -0.330  -1.938
  187    HD2  LYS  23           HD2      LYS  23  13.137   0.668  -1.503
  188    HD3  LYS  23           HD3      LYS  23  12.642  -1.024  -1.456
  189    HE2  LYS  23           HE2      LYS  23  12.421   0.827  -3.829
  190    HE3  LYS  23           HE3      LYS  23  13.619  -0.449  -3.620
  191    HZ1  LYS  23           HZ1      LYS  23  11.822  -2.075  -3.615
  192    HZ2  LYS  23           HZ2      LYS  23  11.812  -1.165  -5.046
  193    HZ3  LYS  23           HZ3      LYS  23  10.678  -0.842  -3.829
  194    H    LYS  24           H        LYS  24   9.689   4.028  -0.018
  195    HA   LYS  24           HA       LYS  24   9.647   2.484   2.344
  196    HB2  LYS  24           HB2      LYS  24  10.772   4.690   2.152
  197    HB3  LYS  24           HB3      LYS  24   9.191   5.460   2.065
  198    HG2  LYS  24           HG2      LYS  24   8.687   4.447   4.304
  199    HG3  LYS  24           HG3      LYS  24  10.385   3.971   4.385
  200    HD2  LYS  24           HD2      LYS  24  11.046   6.321   4.154
  201    HD3  LYS  24           HD3      LYS  24   9.346   6.790   4.095
  202    HE2  LYS  24           HE2      LYS  24   9.079   5.708   6.346
  203    HE3  LYS  24           HE3      LYS  24  10.833   5.535   6.391
  204    HZ1  LYS  24           HZ1      LYS  24  11.035   7.941   6.190
  205    HZ2  LYS  24           HZ2      LYS  24  10.128   7.517   7.561
  206    HZ3  LYS  24           HZ3      LYS  24   9.344   8.095   6.170
  207    H    VAL  25           H        VAL  25   7.233   4.680   0.907
  208    HA   VAL  25           HA       VAL  25   5.242   4.241   2.858
  209    HB   VAL  25           HB       VAL  25   4.909   5.034  -0.045
  210   HG11  VAL  25          HG11      VAL  25   2.830   4.167   0.923
  211   HG12  VAL  25          HG12      VAL  25   2.729   5.896   0.602
  212   HG13  VAL  25          HG13      VAL  25   2.972   5.319   2.249
  213   HG21  VAL  25          HG21      VAL  25   6.310   6.594   1.177
  214   HG22  VAL  25          HG22      VAL  25   5.101   6.708   2.458
  215   HG23  VAL  25          HG23      VAL  25   4.738   7.322   0.843
  216    H    ARG  26           H        ARG  26   5.926   2.671  -0.239
  217    HA   ARG  26           HA       ARG  26   3.749   0.920  -0.317
  218    HB2  ARG  26           HB2      ARG  26   5.649   1.416  -2.054
  219    HB3  ARG  26           HB3      ARG  26   6.464   0.071  -1.270
  220    HG2  ARG  26           HG2      ARG  26   4.566  -1.379  -1.785
  221    HG3  ARG  26           HG3      ARG  26   3.753  -0.028  -2.578
  222    HD2  ARG  26           HD2      ARG  26   5.947   0.104  -3.981
  223    HD3  ARG  26           HD3      ARG  26   6.176  -1.557  -3.442
  224    HE   ARG  26           HE       ARG  26   3.793  -0.653  -4.949
  225   HH11  ARG  26          HH11      ARG  26   6.304  -3.017  -4.300
  226   HH12  ARG  26          HH12      ARG  26   5.729  -4.127  -5.516
  227   HH21  ARG  26          HH21      ARG  26   3.077  -2.082  -6.551
  228   HH22  ARG  26          HH22      ARG  26   3.910  -3.586  -6.807
  229    H    LYS  27           H        LYS  27   6.975   0.521   1.082
  230    HA   LYS  27           HA       LYS  27   6.674  -2.118   1.986
  231    HB2  LYS  27           HB2      LYS  27   8.830  -0.891   1.739
  232    HB3  LYS  27           HB3      LYS  27   8.419   0.049   3.164
  233    HG2  LYS  27           HG2      LYS  27   8.494  -1.905   4.550
  234    HG3  LYS  27           HG3      LYS  27   8.711  -2.943   3.140
  235    HD2  LYS  27           HD2      LYS  27  10.854  -1.841   2.673
  236    HD3  LYS  27           HD3      LYS  27  10.638  -0.832   4.105
  237    HE2  LYS  27           HE2      LYS  27  10.683  -2.781   5.531
  238    HE3  LYS  27           HE3      LYS  27  10.770  -3.843   4.127
  239    HZ1  LYS  27           HZ1      LYS  27  12.919  -2.919   3.580
  240    HZ2  LYS  27           HZ2      LYS  27  12.935  -3.520   5.166
  241    HZ3  LYS  27           HZ3      LYS  27  12.833  -1.845   4.892
  242    H    ASN  28           H        ASN  28   5.795   0.960   3.435
  243    HA   ASN  28           HA       ASN  28   5.212  -0.012   6.019
  244    HB2  ASN  28           HB2      ASN  28   4.197   2.376   4.484
  245    HB3  ASN  28           HB3      ASN  28   3.619   2.001   6.104
  246   HD21  ASN  28          HD21      ASN  28   5.106   4.319   5.188
  247   HD22  ASN  28          HD22      ASN  28   6.555   4.357   6.126
  248    H    THR  29           H        THR  29   3.231   0.297   3.105
  249    HA   THR  29           HA       THR  29   0.872  -0.740   4.311
  250    HB   THR  29           HB       THR  29   0.726  -1.294   1.594
  251    HG1  THR  29           HG1      THR  29   2.592  -0.131   1.157
  252   HG21  THR  29          HG21      THR  29  -1.050  -0.332   2.951
  253   HG22  THR  29          HG22      THR  29  -0.750   0.669   1.530
  254   HG23  THR  29          HG23      THR  29  -0.138   1.167   3.108
  255    H    ASP  30           H        ASP  30   3.523  -2.180   2.442
  256    HA   ASP  30           HA       ASP  30   2.478  -4.749   2.147
  257    HB2  ASP  30           HB2      ASP  30   5.338  -3.847   2.537
  258    HB3  ASP  30           HB3      ASP  30   4.900  -5.521   2.224
  259    H    ASN  31           H        ASN  31   4.472  -3.419   4.768
  260    HA   ASN  31           HA       ASN  31   4.286  -5.721   6.403
  261    HB2  ASN  31           HB2      ASN  31   5.038  -2.863   6.966
  262    HB3  ASN  31           HB3      ASN  31   4.932  -4.051   8.262
  263   HD21  ASN  31          HD21      ASN  31   7.250  -2.596   7.307
  264   HD22  ASN  31          HD22      ASN  31   8.400  -3.793   6.798
  265    H    TYR  32           H        TYR  32   2.153  -3.023   5.864
  266    HA   TYR  32           HA       TYR  32   0.626  -3.377   8.260
  267    HB2  TYR  32           HB2      TYR  32   0.573  -1.247   7.062
  268    HB3  TYR  32           HB3      TYR  32  -0.097  -2.035   5.640
  269    HD1  TYR  32           HD1      TYR  32  -0.808  -1.120   9.160
  270    HD2  TYR  32           HD2      TYR  32  -2.438  -2.370   5.431
  271    HE1  TYR  32           HE1      TYR  32  -3.071  -0.658   9.997
  272    HE2  TYR  32           HE2      TYR  32  -4.707  -1.909   6.265
  273    HH   TYR  32           HH       TYR  32  -5.849  -1.774   8.519
  274    H    ALA  33           H        ALA  33   0.254  -4.396   4.895
  275    HA   ALA  33           HA       ALA  33  -2.146  -5.844   5.321
  276    HB1  ALA  33           HB1      ALA  33  -1.443  -5.012   3.118
  277    HB2  ALA  33           HB2      ALA  33  -1.787  -6.743   3.104
  278    HB3  ALA  33           HB3      ALA  33  -0.116  -6.175   3.121
  279    H    ARG  34           H        ARG  34   1.281  -6.798   5.196
  280    HA   ARG  34           HA       ARG  34   0.994  -9.547   5.552
  281    HB2  ARG  34           HB2      ARG  34   3.116  -7.638   6.516
  282    HB3  ARG  34           HB3      ARG  34   3.220  -9.369   6.800
  283    HG2  ARG  34           HG2      ARG  34   3.154  -9.756   4.389
  284    HG3  ARG  34           HG3      ARG  34   3.097  -8.012   4.124
  285    HD2  ARG  34           HD2      ARG  34   5.373  -8.880   3.864
  286    HD3  ARG  34           HD3      ARG  34   5.259  -7.762   5.224
  287    HE   ARG  34           HE       ARG  34   5.171 -10.688   5.616
  288   HH11  ARG  34          HH11      ARG  34   6.608  -7.560   6.319
  289   HH12  ARG  34          HH12      ARG  34   7.539  -8.164   7.653
  290   HH21  ARG  34          HH21      ARG  34   6.379 -11.456   7.392
  291   HH22  ARG  34          HH22      ARG  34   7.440 -10.363   8.240
  292    H    GLU  35           H        GLU  35   0.797  -6.927   7.838
  293    HA   GLU  35           HA       GLU  35   1.009  -8.516  10.165
  294    HB2  GLU  35           HB2      GLU  35   1.409  -6.008   9.943
  295    HB3  GLU  35           HB3      GLU  35  -0.339  -5.826   9.971
  296    HG2  GLU  35           HG2      GLU  35   0.584  -5.421  12.163
  297    HG3  GLU  35           HG3      GLU  35  -0.409  -6.879  12.177
  298    H    ILE  36           H        ILE  36  -1.652  -7.475   8.149
  299    HA   ILE  36           HA       ILE  36  -3.576  -8.609  10.041
  300    HB   ILE  36           HB       ILE  36  -5.311  -7.506   8.662
  301   HG12  ILE  36          HG12      ILE  36  -2.936  -6.364   7.163
  302   HG13  ILE  36          HG13      ILE  36  -4.140  -7.468   6.507
  303   HG21  ILE  36          HG21      ILE  36  -3.108  -5.711   9.669
  304   HG22  ILE  36          HG22      ILE  36  -4.432  -6.384  10.618
  305   HG23  ILE  36          HG23      ILE  36  -4.766  -5.204   9.350
  306   HD11  ILE  36          HD11      ILE  36  -4.529  -5.183   5.775
  307   HD12  ILE  36          HD12      ILE  36  -4.662  -4.655   7.452
  308   HD13  ILE  36          HD13      ILE  36  -5.861  -5.759   6.775
  309    H    GLY  37           H        GLY  37  -1.768  -9.782   7.654
  310    HA2  GLY  37           HA2      GLY  37  -2.002 -12.049   7.004
  311    HA3  GLY  37           HA3      GLY  37  -3.742 -11.893   7.168
  312    H    GLU  38           H        GLU  38  -3.494  -9.285   5.596
  313    HA   GLU  38           HA       GLU  38  -4.409 -10.265   3.155
  314    HB2  GLU  38           HB2      GLU  38  -3.198  -7.569   3.775
  315    HB3  GLU  38           HB3      GLU  38  -4.117  -7.950   2.328
  316    HG2  GLU  38           HG2      GLU  38  -5.189  -8.088   5.134
  317    HG3  GLU  38           HG3      GLU  38  -5.416  -6.738   4.023
  318    HA   PRO  39           HA       PRO  39  -0.418 -11.022   1.189
  319    HB2  PRO  39           HB2      PRO  39  -1.328 -12.692  -0.704
  320    HB3  PRO  39           HB3      PRO  39  -1.113 -13.217   0.970
  321    HG2  PRO  39           HG2      PRO  39  -3.612 -12.508  -0.490
  322    HG3  PRO  39           HG3      PRO  39  -3.341 -13.750   0.745
  323    HD2  PRO  39           HD2      PRO  39  -4.473 -11.236   1.189
  324    HD3  PRO  39           HD3      PRO  39  -3.805 -12.305   2.436
  325    H    VAL  40           H        VAL  40  -3.418  -9.856  -0.114
  326    HA   VAL  40           HA       VAL  40  -1.990  -8.660  -2.395
  327    HB   VAL  40           HB       VAL  40  -4.916  -9.419  -2.239
  328   HG11  VAL  40          HG11      VAL  40  -4.987  -8.822  -4.616
  329   HG12  VAL  40          HG12      VAL  40  -3.312  -8.277  -4.524
  330   HG13  VAL  40          HG13      VAL  40  -4.563  -7.436  -3.609
  331   HG21  VAL  40          HG21      VAL  40  -3.517 -11.384  -2.432
  332   HG22  VAL  40          HG22      VAL  40  -2.644 -10.660  -3.784
  333   HG23  VAL  40          HG23      VAL  40  -4.347 -11.086  -3.960
  334    H    VAL  41           H        VAL  41  -1.836  -6.519  -2.314
  335    HA   VAL  41           HA       VAL  41  -3.401  -5.073  -0.323
  336    HB   VAL  41           HB       VAL  41  -1.156  -4.058  -2.075
  337   HG11  VAL  41          HG11      VAL  41  -2.434  -2.861   0.384
  338   HG12  VAL  41          HG12      VAL  41  -2.642  -2.290  -1.272
  339   HG13  VAL  41          HG13      VAL  41  -1.059  -2.192  -0.497
  340   HG21  VAL  41          HG21      VAL  41  -1.103  -5.008   0.788
  341   HG22  VAL  41          HG22      VAL  41   0.239  -4.245  -0.063
  342   HG23  VAL  41          HG23      VAL  41  -0.362  -5.815  -0.596
  343    H    THR  42           H        THR  42  -5.328  -4.436  -0.976
  344    HA   THR  42           HA       THR  42  -5.731  -3.459  -3.701
  345    HB   THR  42           HB       THR  42  -8.161  -3.389  -2.979
  346    HG1  THR  42           HG1      THR  42  -7.772  -5.153  -0.916
  347   HG21  THR  42          HG21      THR  42  -7.259  -5.253  -4.286
  348   HG22  THR  42          HG22      THR  42  -8.459  -5.825  -3.126
  349   HG23  THR  42          HG23      THR  42  -6.741  -6.055  -2.802
  350    H    ALA  43           H        ALA  43  -7.399  -1.514  -3.723
  351    HA   ALA  43           HA       ALA  43  -6.144   0.753  -2.652
  352    HB1  ALA  43           HB1      ALA  43  -8.129   1.971  -3.386
  353    HB2  ALA  43           HB2      ALA  43  -8.991   0.447  -3.601
  354    HB3  ALA  43           HB3      ALA  43  -7.598   0.822  -4.614
  355    H    ASP  44           H        ASP  44  -8.747  -1.262  -1.486
  356    HA   ASP  44           HA       ASP  44  -9.627   0.342   0.645
  357    HB2  ASP  44           HB2      ASP  44 -10.974  -1.512  -0.068
  358    HB3  ASP  44           HB3      ASP  44  -9.671  -2.654   0.236
  359    H    VAL  45           H        VAL  45  -7.237  -2.293   0.550
  360    HA   VAL  45           HA       VAL  45  -6.468  -2.176   3.245
  361    HB   VAL  45           HB       VAL  45  -4.764  -2.950   0.867
  362   HG11  VAL  45          HG11      VAL  45  -4.449  -3.678   3.779
  363   HG12  VAL  45          HG12      VAL  45  -3.455  -2.513   2.905
  364   HG13  VAL  45          HG13      VAL  45  -3.424  -4.216   2.448
  365   HG21  VAL  45          HG21      VAL  45  -5.434  -5.245   1.388
  366   HG22  VAL  45          HG22      VAL  45  -6.826  -4.243   0.977
  367   HG23  VAL  45          HG23      VAL  45  -6.496  -4.646   2.663
  368    H    PHE  46           H        PHE  46  -5.201  -0.509   0.389
  369    HA   PHE  46           HA       PHE  46  -3.079   0.829   1.651
  370    HB2  PHE  46           HB2      PHE  46  -3.256   0.632  -0.789
  371    HB3  PHE  46           HB3      PHE  46  -4.687   1.657  -0.778
  372    HD1  PHE  46           HD1      PHE  46  -1.142   1.733   0.382
  373    HD2  PHE  46           HD2      PHE  46  -4.416   3.869  -1.292
  374    HE1  PHE  46           HE1      PHE  46   0.289   3.717   0.131
  375    HE2  PHE  46           HE2      PHE  46  -2.995   5.860  -1.548
  376    HZ   PHE  46           HZ       PHE  46  -0.636   5.784  -0.837
  377    H    ARG  47           H        ARG  47  -6.454   1.780   1.125
  378    HA   ARG  47           HA       ARG  47  -6.179   4.406   2.127
  379    HB2  ARG  47           HB2      ARG  47  -8.101   3.461   0.743
  380    HB3  ARG  47           HB3      ARG  47  -8.714   2.779   2.245
  381    HG2  ARG  47           HG2      ARG  47  -8.742   5.070   3.204
  382    HG3  ARG  47           HG3      ARG  47  -8.288   5.689   1.616
  383    HD2  ARG  47           HD2      ARG  47 -10.634   5.908   1.758
  384    HD3  ARG  47           HD3      ARG  47 -10.330   4.521   0.713
  385    HE   ARG  47           HE       ARG  47 -10.971   3.083   2.526
  386   HH11  ARG  47          HH11      ARG  47 -11.535   6.491   3.083
  387   HH12  ARG  47          HH12      ARG  47 -12.783   6.228   4.268
  388   HH21  ARG  47          HH21      ARG  47 -12.595   2.715   4.086
  389   HH22  ARG  47          HH22      ARG  47 -13.373   4.073   4.861
  390    H    LYS  48           H        LYS  48  -7.194   1.374   3.667
  391    HA   LYS  48           HA       LYS  48  -7.790   2.450   6.196
  392    HB2  LYS  48           HB2      LYS  48  -6.854  -0.319   5.430
  393    HB3  LYS  48           HB3      LYS  48  -7.446   0.117   7.029
  394    HG2  LYS  48           HG2      LYS  48  -9.611   0.676   6.110
  395    HG3  LYS  48           HG3      LYS  48  -9.027   0.347   4.480
  396    HD2  LYS  48           HD2      LYS  48  -9.271  -1.658   6.723
  397    HD3  LYS  48           HD3      LYS  48 -10.338  -1.523   5.326
  398    HE2  LYS  48           HE2      LYS  48  -8.192  -1.849   3.935
  399    HE3  LYS  48           HE3      LYS  48  -7.490  -2.447   5.440
  400    HZ1  LYS  48           HZ1      LYS  48  -9.420  -4.020   5.539
  401    HZ2  LYS  48           HZ2      LYS  48  -8.336  -4.309   4.265
  402    HZ3  LYS  48           HZ3      LYS  48  -9.816  -3.538   3.958
  403    H    ALA  49           H        ALA  49  -4.776   1.412   4.740
  404    HA   ALA  49           HA       ALA  49  -3.190   1.504   7.075
  405    HB1  ALA  49           HB1      ALA  49  -2.380   1.950   4.205
  406    HB2  ALA  49           HB2      ALA  49  -2.428   0.401   5.044
  407    HB3  ALA  49           HB3      ALA  49  -1.280   1.639   5.547
  408    H    LYS  50           H        LYS  50  -3.957   3.937   4.604
  409    HA   LYS  50           HA       LYS  50  -2.316   5.995   5.562
  410    HB2  LYS  50           HB2      LYS  50  -4.984   6.224   4.155
  411    HB3  LYS  50           HB3      LYS  50  -3.834   7.537   4.365
  412    HG2  LYS  50           HG2      LYS  50  -2.186   6.240   3.048
  413    HG3  LYS  50           HG3      LYS  50  -3.428   5.020   2.765
  414    HD2  LYS  50           HD2      LYS  50  -3.368   6.449   0.849
  415    HD3  LYS  50           HD3      LYS  50  -4.845   6.815   1.742
  416    HE2  LYS  50           HE2      LYS  50  -3.768   8.765   2.735
  417    HE3  LYS  50           HE3      LYS  50  -2.269   8.380   1.894
  418    HZ1  LYS  50           HZ1      LYS  50  -3.573   8.612  -0.222
  419    HZ2  LYS  50           HZ2      LYS  50  -3.331  10.046   0.650
  420    HZ3  LYS  50           HZ3      LYS  50  -4.836   9.267   0.707
  421    H    GLU  51           H        GLU  51  -5.612   5.080   6.435
  422    HA   GLU  51           HA       GLU  51  -5.990   7.277   8.221
  423    HB2  GLU  51           HB2      GLU  51  -7.476   4.652   8.014
  424    HB3  GLU  51           HB3      GLU  51  -8.004   6.047   8.948
  425    HG2  GLU  51           HG2      GLU  51  -7.647   5.960   5.955
  426    HG3  GLU  51           HG3      GLU  51  -9.181   5.872   6.817
  427    H    HIS  52           H        HIS  52  -4.946   3.926   8.560
  428    HA   HIS  52           HA       HIS  52  -4.898   3.805  11.373
  429    HB2  HIS  52           HB2      HIS  52  -4.727   1.807   9.938
  430    HB3  HIS  52           HB3      HIS  52  -3.154   2.345   9.370
  431    HD1  HIS  52           HD1      HIS  52  -4.750   0.311  11.938
  432    HD2  HIS  52           HD2      HIS  52  -1.131   2.324  11.490
  433    HE1  HIS  52           HE1      HIS  52  -3.203  -0.670  13.664
  434    HE2  HIS  52           HE2      HIS  52  -1.000   0.515  13.337
  435    H    LEU  53           H        LEU  53  -2.449   4.789   9.012
  436    HA   LEU  53           HA       LEU  53  -0.454   5.296  11.023
  437    HB2  LEU  53           HB2      LEU  53  -0.509   6.149   8.127
  438    HB3  LEU  53           HB3      LEU  53   0.890   6.171   9.183
  439    HG   LEU  53           HG       LEU  53  -0.571   3.693   8.260
  440   HD11  LEU  53          HD11      LEU  53   1.431   3.270   6.935
  441   HD12  LEU  53          HD12      LEU  53   2.114   4.807   7.468
  442   HD13  LEU  53          HD13      LEU  53   0.663   4.788   6.466
  443   HD21  LEU  53          HD21      LEU  53   0.401   3.380  10.466
  444   HD22  LEU  53          HD22      LEU  53   1.947   4.004   9.892
  445   HD23  LEU  53          HD23      LEU  53   1.318   2.484   9.256
  446    H    GLY  54           H        GLY  54  -3.196   6.909  10.117
  447    HA2  GLY  54           HA2      GLY  54  -3.954   8.898  11.083
  448    HA3  GLY  54           HA3      GLY  54  -2.295   9.315  11.482
  449    H    GLY  55           H        GLY  55  -1.162   9.006   8.928
  450    HA2  GLY  55           HA2      GLY  55  -0.984  10.014   6.848
  451    HA3  GLY  55           HA3      GLY  55  -2.620  10.631   7.041
  452    H    LEU  56           H        LEU  56  -2.618  12.180   9.138
  453    HA   LEU  56           HA       LEU  56  -0.381  14.070   8.858
  454    HB2  LEU  56           HB2      LEU  56  -2.814  14.517   7.741
  455    HB3  LEU  56           HB3      LEU  56  -3.081  15.183   9.337
  456    HG   LEU  56           HG       LEU  56  -0.875  16.040   7.465
  457   HD11  LEU  56          HD11      LEU  56  -2.198  18.071   7.159
  458   HD12  LEU  56          HD12      LEU  56  -3.493  17.373   8.133
  459   HD13  LEU  56          HD13      LEU  56  -3.060  16.641   6.588
  460   HD21  LEU  56          HD21      LEU  56  -0.260  16.395   9.771
  461   HD22  LEU  56          HD22      LEU  56  -1.818  17.152  10.103
  462   HD23  LEU  56          HD23      LEU  56  -0.665  17.942   9.026
  463    H    GLU  57           H        GLU  57   0.567  14.152  10.797
  464    HA   GLU  57           HA       GLU  57  -1.041  13.653  13.196
  465    HB2  GLU  57           HB2      GLU  57   1.874  13.457  12.561
  466    HB3  GLU  57           HB3      GLU  57   1.381  13.708  14.232
  467    HG2  GLU  57           HG2      GLU  57   0.246  11.491  12.557
  468    HG3  GLU  57           HG3      GLU  57   1.754  11.314  13.455
  469    H    HIS  58           H        HIS  58   0.226  14.916  15.161
  470    HA   HIS  58           HA       HIS  58   0.349  16.881  16.288
  471    HB2  HIS  58           HB2      HIS  58   1.954  17.635  14.560
  472    HB3  HIS  58           HB3      HIS  58   0.613  18.192  13.567
  473    HD1  HIS  58           HD1      HIS  58   2.325  18.958  16.858
  474    HD2  HIS  58           HD2      HIS  58  -0.255  20.734  14.121
  475    HE1  HIS  58           HE1      HIS  58   2.110  21.354  17.583
  476    HE2  HIS  58           HE2      HIS  58   0.712  22.451  15.799
  477    H    HIS  59           H        HIS  59  -1.465  17.492  13.301
  478    HA   HIS  59           HA       HIS  59  -3.992  17.308  14.565
  479    HB2  HIS  59           HB2      HIS  59  -2.774  19.935  14.550
  480    HB3  HIS  59           HB3      HIS  59  -4.223  19.929  13.552
  481    HD1  HIS  59           HD1      HIS  59  -6.468  19.136  14.805
  482    HD2  HIS  59           HD2      HIS  59  -3.224  20.027  17.243
  483    HE1  HIS  59           HE1      HIS  59  -7.420  19.432  17.111
  484    HE2  HIS  59           HE2      HIS  59  -5.465  20.151  18.527
  485    H    HIS  60           H        HIS  60  -5.419  16.725  13.028
  486    HA   HIS  60           HA       HIS  60  -4.563  16.318  10.371
  487    HB2  HIS  60           HB2      HIS  60  -6.676  15.429  11.890
  488    HB3  HIS  60           HB3      HIS  60  -7.477  16.505  10.751
  489    HD1  HIS  60           HD1      HIS  60  -7.795  15.673   8.382
  490    HD2  HIS  60           HD2      HIS  60  -5.334  13.211  10.666
  491    HE1  HIS  60           HE1      HIS  60  -7.446  13.595   7.013
  492    HE2  HIS  60           HE2      HIS  60  -6.196  12.025   8.535
  493    H    HIS  61           H        HIS  61  -6.516  18.775  11.921
  494    HA   HIS  61           HA       HIS  61  -5.644  20.758  10.048
  495    HB2  HIS  61           HB2      HIS  61  -8.441  19.724   9.950
  496    HB3  HIS  61           HB3      HIS  61  -8.230  21.469   9.859
  497    HD1  HIS  61           HD1      HIS  61  -9.179  19.386   7.544
  498    HD2  HIS  61           HD2      HIS  61  -5.532  21.350   7.893
  499    HE1  HIS  61           HE1      HIS  61  -8.225  19.464   5.221
  500    HE2  HIS  61           HE2      HIS  61  -6.127  20.846   5.428
  501    H    HIS  62           H        HIS  62  -5.970  22.875  10.853
  502    HA   HIS  62           HA       HIS  62  -6.425  23.140  13.665
  503    HB2  HIS  62           HB2      HIS  62  -4.935  24.697  12.585
  504    HB3  HIS  62           HB3      HIS  62  -6.174  25.170  11.434
  505    HD1  HIS  62           HD1      HIS  62  -5.433  25.432  15.148
  506    HD2  HIS  62           HD2      HIS  62  -7.629  27.352  12.180
  507    HE1  HIS  62           HE1      HIS  62  -6.355  27.509  16.219
  508    HE2  HIS  62           HE2      HIS  62  -7.451  28.769  14.333
  509    H    HIS  63           H        HIS  63  -8.289  23.551  10.758
  510    HA   HIS  63           HA       HIS  63 -10.740  23.179  12.155
  511    HB2  HIS  63           HB2      HIS  63 -10.456  25.622  12.504
  512    HB3  HIS  63           HB3      HIS  63 -10.318  25.845  10.764
  513    HD1  HIS  63           HD1      HIS  63 -12.810  25.219  13.480
  514    HD2  HIS  63           HD2      HIS  63 -12.746  25.688   9.343
  515    HE1  HIS  63           HE1      HIS  63 -15.212  25.500  12.786
  516    HE2  HIS  63           HE2      HIS  63 -15.145  25.871  10.293
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1  11.137 -14.461  -0.191
    2    H2   MET   1           H2       MET   1  10.064 -15.761  -0.016
    3    H3   MET   1           H3       MET   1  10.643 -14.949   1.357
    4    HA   MET   1           HA       MET   1   8.881 -13.823  -0.745
    5    HB2  MET   1           HB2      MET   1   7.768 -15.404   0.804
    6    HB3  MET   1           HB3      MET   1   8.345 -14.459   2.169
    7    HG2  MET   1           HG2      MET   1   7.030 -12.546   1.407
    8    HG3  MET   1           HG3      MET   1   6.449 -13.495   0.038
    9    HE1  MET   1           HE1      MET   1   4.426 -16.327   1.876
   10    HE2  MET   1           HE2      MET   1   6.138 -16.368   1.453
   11    HE3  MET   1           HE3      MET   1   4.965 -15.704   0.317
   12    H    GLY   2           H        GLY   2   9.709 -11.858  -1.119
   13    HA2  GLY   2           HA2      GLY   2  10.921 -10.370   1.083
   14    HA3  GLY   2           HA3      GLY   2  11.026  -9.974  -0.625
   15    H    GLU   3           H        GLU   3   8.228 -10.107  -1.176
   16    HA   GLU   3           HA       GLU   3   7.023  -8.083   0.515
   17    HB2  GLU   3           HB2      GLU   3   6.610  -6.606  -1.504
   18    HB3  GLU   3           HB3      GLU   3   8.251  -6.618  -0.875
   19    HG2  GLU   3           HG2      GLU   3   8.866  -8.237  -2.640
   20    HG3  GLU   3           HG3      GLU   3   7.236  -8.085  -3.296
   21    H    LEU   4           H        LEU   4   4.839  -7.418  -0.438
   22    HA   LEU   4           HA       LEU   4   3.448  -9.904  -1.092
   23    HB2  LEU   4           HB2      LEU   4   2.441  -7.190  -0.244
   24    HB3  LEU   4           HB3      LEU   4   1.414  -8.579  -0.544
   25    HG   LEU   4           HG       LEU   4   3.548  -8.448   1.589
   26   HD11  LEU   4          HD11      LEU   4   1.702  -6.924   2.060
   27   HD12  LEU   4          HD12      LEU   4   1.686  -8.309   3.153
   28   HD13  LEU   4          HD13      LEU   4   0.551  -8.238   1.806
   29   HD21  LEU   4          HD21      LEU   4   3.146 -10.708   0.785
   30   HD22  LEU   4          HD22      LEU   4   1.410 -10.491   1.010
   31   HD23  LEU   4          HD23      LEU   4   2.485 -10.498   2.407
   32    H    SER   5           H        SER   5   1.137  -8.883  -2.233
   33    HA   SER   5           HA       SER   5   2.114  -8.003  -4.870
   34    HB2  SER   5           HB2      SER   5  -0.348  -9.655  -4.248
   35    HB3  SER   5           HB3      SER   5   0.256  -9.232  -5.851
   36    HG   SER   5           HG       SER   5   2.037 -10.495  -4.126
   37    H    TRP   6           H        TRP   6   1.342  -6.137  -5.655
   38    HA   TRP   6           HA       TRP   6  -0.849  -4.823  -4.186
   39    HB2  TRP   6           HB2      TRP   6   1.484  -3.754  -5.766
   40    HB3  TRP   6           HB3      TRP   6   0.086  -2.748  -5.411
   41    HD1  TRP   6           HD1      TRP   6   2.185  -5.116  -3.118
   42    HE1  TRP   6           HE1      TRP   6   2.844  -3.770  -1.020
   43    HE3  TRP   6           HE3      TRP   6   0.120  -0.595  -4.357
   44    HZ2  TRP   6           HZ2      TRP   6   2.535  -1.148  -0.034
   45    HZ3  TRP   6           HZ3      TRP   6   0.357   1.279  -2.780
   46    HH2  TRP   6           HH2      TRP   6   1.541   1.005  -0.665
   47    H    THR   7           H        THR   7  -2.674  -4.148  -5.262
   48    HA   THR   7           HA       THR   7  -3.035  -5.204  -7.940
   49    HB   THR   7           HB       THR   7  -5.406  -4.505  -7.652
   50    HG1  THR   7           HG1      THR   7  -6.039  -3.418  -5.913
   51   HG21  THR   7          HG21      THR   7  -5.959  -6.173  -5.952
   52   HG22  THR   7          HG22      THR   7  -4.287  -6.164  -5.392
   53   HG23  THR   7          HG23      THR   7  -4.671  -6.751  -7.010
   54    H    ALA   8           H        ALA   8  -4.463  -3.778  -9.416
   55    HA   ALA   8           HA       ALA   8  -2.849  -1.705 -10.360
   56    HB1  ALA   8           HB1      ALA   8  -4.416  -2.961 -11.756
   57    HB2  ALA   8           HB2      ALA   8  -4.651  -1.220 -11.915
   58    HB3  ALA   8           HB3      ALA   8  -5.769  -2.176 -10.942
   59    H    GLU   9           H        GLU   9  -5.762  -1.578  -8.347
   60    HA   GLU   9           HA       GLU   9  -6.109   1.213  -8.347
   61    HB2  GLU   9           HB2      GLU   9  -6.652  -0.405  -5.887
   62    HB3  GLU   9           HB3      GLU   9  -7.554   0.955  -6.532
   63    HG2  GLU   9           HG2      GLU   9  -8.964  -0.789  -6.981
   64    HG3  GLU   9           HG3      GLU   9  -8.064  -0.677  -8.495
   65    H    ALA  10           H        ALA  10  -4.255  -0.913  -6.248
   66    HA   ALA  10           HA       ALA  10  -3.347   1.079  -4.467
   67    HB1  ALA  10           HB1      ALA  10  -3.356  -1.286  -3.885
   68    HB2  ALA  10           HB2      ALA  10  -1.735  -0.607  -3.722
   69    HB3  ALA  10           HB3      ALA  10  -2.139  -1.605  -5.119
   70    H    GLU  11           H        GLU  11  -2.021  -0.282  -7.447
   71    HA   GLU  11           HA       GLU  11   0.500   0.955  -7.345
   72    HB2  GLU  11           HB2      GLU  11  -1.147   0.236  -9.772
   73    HB3  GLU  11           HB3      GLU  11   0.562   0.637  -9.791
   74    HG2  GLU  11           HG2      GLU  11   0.981  -1.329  -8.340
   75    HG3  GLU  11           HG3      GLU  11  -0.725  -1.753  -8.500
   76    H    LYS  12           H        LYS  12  -2.596   2.083  -8.675
   77    HA   LYS  12           HA       LYS  12  -1.507   4.425  -9.859
   78    HB2  LYS  12           HB2      LYS  12  -3.693   3.421 -10.516
   79    HB3  LYS  12           HB3      LYS  12  -4.366   3.965  -8.983
   80    HG2  LYS  12           HG2      LYS  12  -3.982   6.270  -9.586
   81    HG3  LYS  12           HG3      LYS  12  -3.183   5.777 -11.077
   82    HD2  LYS  12           HD2      LYS  12  -5.419   6.466 -11.595
   83    HD3  LYS  12           HD3      LYS  12  -5.309   4.717 -11.798
   84    HE2  LYS  12           HE2      LYS  12  -6.388   4.359  -9.673
   85    HE3  LYS  12           HE3      LYS  12  -6.385   6.090  -9.338
   86    HZ1  LYS  12           HZ1      LYS  12  -7.846   4.791 -11.575
   87    HZ2  LYS  12           HZ2      LYS  12  -7.875   6.440 -11.191
   88    HZ3  LYS  12           HZ3      LYS  12  -8.547   5.305 -10.120
   89    H    MET  13           H        MET  13  -3.069   3.797  -6.744
   90    HA   MET  13           HA       MET  13  -2.994   6.479  -5.832
   91    HB2  MET  13           HB2      MET  13  -3.153   3.847  -4.368
   92    HB3  MET  13           HB3      MET  13  -3.188   5.398  -3.539
   93    HG2  MET  13           HG2      MET  13  -5.200   6.018  -4.776
   94    HG3  MET  13           HG3      MET  13  -5.159   4.471  -5.619
   95    HE1  MET  13           HE1      MET  13  -5.915   1.928  -2.779
   96    HE2  MET  13           HE2      MET  13  -4.342   2.422  -3.403
   97    HE3  MET  13           HE3      MET  13  -5.688   2.160  -4.514
   98    H    LEU  14           H        LEU  14  -0.701   3.835  -5.747
   99    HA   LEU  14           HA       LEU  14   1.173   5.128  -4.026
  100    HB2  LEU  14           HB2      LEU  14   1.028   2.665  -4.380
  101    HB3  LEU  14           HB3      LEU  14   1.632   2.898  -6.008
  102    HG   LEU  14           HG       LEU  14   3.728   3.839  -5.041
  103   HD11  LEU  14          HD11      LEU  14   2.515   2.902  -2.444
  104   HD12  LEU  14          HD12      LEU  14   2.860   4.572  -2.895
  105   HD13  LEU  14          HD13      LEU  14   4.183   3.429  -2.666
  106   HD21  LEU  14          HD21      LEU  14   2.973   1.052  -4.179
  107   HD22  LEU  14          HD22      LEU  14   4.618   1.675  -4.310
  108   HD23  LEU  14          HD23      LEU  14   3.615   1.523  -5.753
  109    H    GLY  15           H        GLY  15   0.504   5.156  -7.440
  110    HA2  GLY  15           HA2      GLY  15   2.931   6.285  -8.360
  111    HA3  GLY  15           HA3      GLY  15   1.376   6.392  -9.168
  112    H    LYS  16           H        LYS  16   0.114   7.624  -6.855
  113    HA   LYS  16           HA       LYS  16   0.559  10.353  -7.368
  114    HB2  LYS  16           HB2      LYS  16  -1.471   9.085  -6.332
  115    HB3  LYS  16           HB3      LYS  16  -0.617   9.292  -4.812
  116    HG2  LYS  16           HG2      LYS  16  -1.220  11.615  -6.590
  117    HG3  LYS  16           HG3      LYS  16  -2.411  10.989  -5.457
  118    HD2  LYS  16           HD2      LYS  16   0.335  12.035  -4.767
  119    HD3  LYS  16           HD3      LYS  16  -1.195  12.865  -4.482
  120    HE2  LYS  16           HE2      LYS  16  -1.862  10.921  -3.034
  121    HE3  LYS  16           HE3      LYS  16  -0.212  10.320  -3.202
  122    HZ1  LYS  16           HZ1      LYS  16  -1.138  12.790  -1.858
  123    HZ2  LYS  16           HZ2      LYS  16   0.471  12.598  -2.335
  124    HZ3  LYS  16           HZ3      LYS  16  -0.206  11.524  -1.213
  125    H    VAL  17           H        VAL  17   1.813   8.100  -5.017
  126    HA   VAL  17           HA       VAL  17   3.168  10.036  -3.401
  127    HB   VAL  17           HB       VAL  17   3.660   7.062  -3.610
  128   HG11  VAL  17          HG11      VAL  17   5.464   8.278  -2.512
  129   HG12  VAL  17          HG12      VAL  17   4.587   7.260  -1.368
  130   HG13  VAL  17          HG13      VAL  17   4.305   9.002  -1.400
  131   HG21  VAL  17          HG21      VAL  17   1.328   7.490  -3.078
  132   HG22  VAL  17          HG22      VAL  17   1.810   8.570  -1.769
  133   HG23  VAL  17          HG23      VAL  17   2.173   6.846  -1.672
  134    HA   PRO  18           HA       PRO  18   6.562  10.837  -6.178
  135    HB2  PRO  18           HB2      PRO  18   8.323  11.536  -4.119
  136    HB3  PRO  18           HB3      PRO  18   7.266  12.637  -5.005
  137    HG2  PRO  18           HG2      PRO  18   6.892  11.385  -2.337
  138    HG3  PRO  18           HG3      PRO  18   6.372  12.976  -2.916
  139    HD2  PRO  18           HD2      PRO  18   4.649  10.934  -2.608
  140    HD3  PRO  18           HD3      PRO  18   4.468  12.120  -3.918
  141    H    PHE  19           H        PHE  19   8.538   9.989  -6.744
  142    HA   PHE  19           HA       PHE  19   8.616   7.220  -6.496
  143    HB2  PHE  19           HB2      PHE  19   9.538   8.766  -8.329
  144    HB3  PHE  19           HB3      PHE  19  10.986   8.868  -7.334
  145    HD1  PHE  19           HD1      PHE  19   8.717   6.440  -8.957
  146    HD2  PHE  19           HD2      PHE  19  12.644   7.251  -7.543
  147    HE1  PHE  19           HE1      PHE  19   9.512   4.338  -9.972
  148    HE2  PHE  19           HE2      PHE  19  13.451   5.156  -8.553
  149    HZ   PHE  19           HZ       PHE  19  11.883   3.695  -9.770
  150    H    PHE  20           H        PHE  20  10.571   9.668  -4.871
  151    HA   PHE  20           HA       PHE  20  12.538   7.956  -3.837
  152    HB2  PHE  20           HB2      PHE  20  11.551  10.551  -2.637
  153    HB3  PHE  20           HB3      PHE  20  13.105   9.781  -2.329
  154    HD1  PHE  20           HD2      PHE  20  14.743   9.566  -4.232
  155    HD2  PHE  20           HD1      PHE  20  11.259  11.996  -4.447
  156    HE1  PHE  20           HE2      PHE  20  15.725  10.797  -6.122
  157    HE2  PHE  20           HE1      PHE  20  12.233  13.231  -6.342
  158    HZ   PHE  20           HZ       PHE  20  14.469  12.632  -7.180
  159    H    VAL  21           H        VAL  21   9.507   9.113  -2.395
  160    HA   VAL  21           HA       VAL  21  10.019   7.474  -0.037
  161    HB   VAL  21           HB       VAL  21   8.087   8.573   0.968
  162   HG11  VAL  21          HG11      VAL  21  10.249   9.641   1.180
  163   HG12  VAL  21          HG12      VAL  21   8.982  10.861   1.043
  164   HG13  VAL  21          HG13      VAL  21  10.005  10.491  -0.347
  165   HG21  VAL  21          HG21      VAL  21   7.838  10.016  -1.667
  166   HG22  VAL  21          HG22      VAL  21   6.936  10.400  -0.200
  167   HG23  VAL  21          HG23      VAL  21   6.699   8.848  -1.002
  168    H    ARG  22           H        ARG  22   8.612   7.102  -2.995
  169    HA   ARG  22           HA       ARG  22   6.254   5.684  -2.453
  170    HB2  ARG  22           HB2      ARG  22   6.908   6.508  -4.696
  171    HB3  ARG  22           HB3      ARG  22   8.189   5.309  -4.750
  172    HG2  ARG  22           HG2      ARG  22   6.564   3.518  -4.745
  173    HG3  ARG  22           HG3      ARG  22   5.250   4.683  -4.571
  174    HD2  ARG  22           HD2      ARG  22   7.144   4.464  -6.911
  175    HD3  ARG  22           HD3      ARG  22   5.455   3.955  -6.886
  176    HE   ARG  22           HE       ARG  22   5.478   6.630  -6.173
  177   HH11  ARG  22          HH11      ARG  22   6.272   4.683  -8.984
  178   HH12  ARG  22          HH12      ARG  22   6.039   5.999 -10.098
  179   HH21  ARG  22          HH21      ARG  22   5.160   8.332  -7.642
  180   HH22  ARG  22          HH22      ARG  22   5.402   8.056  -9.342
  181    H    LYS  23           H        LYS  23   9.622   4.710  -2.609
  182    HA   LYS  23           HA       LYS  23   9.276   1.934  -2.320
  183    HB2  LYS  23           HB2      LYS  23  11.400   2.931  -2.986
  184    HB3  LYS  23           HB3      LYS  23  11.538   3.731  -1.428
  185    HG2  LYS  23           HG2      LYS  23  11.749   1.574  -0.323
  186    HG3  LYS  23           HG3      LYS  23  11.570   0.753  -1.877
  187    HD2  LYS  23           HD2      LYS  23  13.755   2.739  -1.254
  188    HD3  LYS  23           HD3      LYS  23  13.939   0.991  -1.098
  189    HE2  LYS  23           HE2      LYS  23  13.655   0.661  -3.429
  190    HE3  LYS  23           HE3      LYS  23  13.080   2.310  -3.664
  191    HZ1  LYS  23           HZ1      LYS  23  15.240   3.161  -3.240
  192    HZ2  LYS  23           HZ2      LYS  23  15.411   1.917  -4.383
  193    HZ3  LYS  23           HZ3      LYS  23  15.829   1.644  -2.761
  194    H    LYS  24           H        LYS  24   9.591   4.544   0.038
  195    HA   LYS  24           HA       LYS  24   9.626   2.955   2.365
  196    HB2  LYS  24           HB2      LYS  24  10.344   5.233   2.501
  197    HB3  LYS  24           HB3      LYS  24   8.813   5.821   1.869
  198    HG2  LYS  24           HG2      LYS  24   8.884   6.271   4.208
  199    HG3  LYS  24           HG3      LYS  24   7.707   4.986   3.936
  200    HD2  LYS  24           HD2      LYS  24   8.927   4.297   5.817
  201    HD3  LYS  24           HD3      LYS  24   9.607   3.370   4.480
  202    HE2  LYS  24           HE2      LYS  24  11.388   4.212   5.880
  203    HE3  LYS  24           HE3      LYS  24  11.439   5.012   4.310
  204    HZ1  LYS  24           HZ1      LYS  24  11.749   6.521   6.239
  205    HZ2  LYS  24           HZ2      LYS  24  10.156   6.183   6.722
  206    HZ3  LYS  24           HZ3      LYS  24  10.450   6.959   5.242
  207    H    VAL  25           H        VAL  25   6.950   4.714   0.787
  208    HA   VAL  25           HA       VAL  25   4.987   3.880   2.629
  209    HB   VAL  25           HB       VAL  25   4.556   4.729  -0.240
  210   HG11  VAL  25          HG11      VAL  25   2.600   3.652   0.707
  211   HG12  VAL  25          HG12      VAL  25   2.320   5.388   0.550
  212   HG13  VAL  25          HG13      VAL  25   2.691   4.692   2.129
  213   HG21  VAL  25          HG21      VAL  25   4.176   6.971   0.695
  214   HG22  VAL  25          HG22      VAL  25   5.823   6.406   0.976
  215   HG23  VAL  25          HG23      VAL  25   4.644   6.373   2.287
  216    H    ARG  26           H        ARG  26   6.008   2.542  -0.496
  217    HA   ARG  26           HA       ARG  26   4.010   0.590  -0.720
  218    HB2  ARG  26           HB2      ARG  26   5.689   1.286  -2.491
  219    HB3  ARG  26           HB3      ARG  26   6.854   0.256  -1.668
  220    HG2  ARG  26           HG2      ARG  26   5.391  -1.673  -2.021
  221    HG3  ARG  26           HG3      ARG  26   4.242  -0.636  -2.868
  222    HD2  ARG  26           HD2      ARG  26   6.049  -0.085  -4.495
  223    HD3  ARG  26           HD3      ARG  26   7.066  -1.282  -3.695
  224    HE   ARG  26           HE       ARG  26   4.594  -1.854  -5.200
  225   HH11  ARG  26          HH11      ARG  26   7.613  -2.903  -3.767
  226   HH12  ARG  26          HH12      ARG  26   7.536  -4.500  -4.449
  227   HH21  ARG  26          HH21      ARG  26   4.501  -3.950  -6.110
  228   HH22  ARG  26          HH22      ARG  26   5.757  -5.095  -5.767
  229    H    LYS  27           H        LYS  27   7.149   0.535   0.888
  230    HA   LYS  27           HA       LYS  27   6.992  -2.188   1.712
  231    HB2  LYS  27           HB2      LYS  27   9.126  -0.962   1.531
  232    HB3  LYS  27           HB3      LYS  27   8.630   0.084   2.855
  233    HG2  LYS  27           HG2      LYS  27  10.158  -1.567   3.678
  234    HG3  LYS  27           HG3      LYS  27   8.555  -1.881   4.343
  235    HD2  LYS  27           HD2      LYS  27   9.328  -3.994   3.729
  236    HD3  LYS  27           HD3      LYS  27   8.286  -3.526   2.387
  237    HE2  LYS  27           HE2      LYS  27  11.274  -3.135   2.391
  238    HE3  LYS  27           HE3      LYS  27  10.488  -4.576   1.753
  239    HZ1  LYS  27           HZ1      LYS  27  11.041  -2.877   0.060
  240    HZ2  LYS  27           HZ2      LYS  27   9.931  -1.829   0.788
  241    HZ3  LYS  27           HZ3      LYS  27   9.394  -3.279   0.100
  242    H    ASN  28           H        ASN  28   5.789   0.812   2.997
  243    HA   ASN  28           HA       ASN  28   5.563  -0.056   5.712
  244    HB2  ASN  28           HB2      ASN  28   5.648   2.369   4.662
  245    HB3  ASN  28           HB3      ASN  28   3.901   2.166   4.581
  246   HD21  ASN  28          HD21      ASN  28   6.653   2.504   6.646
  247   HD22  ASN  28          HD22      ASN  28   5.777   2.809   8.108
  248    H    THR  29           H        THR  29   3.271   0.442   3.046
  249    HA   THR  29           HA       THR  29   1.019  -0.664   4.363
  250    HB   THR  29           HB       THR  29   1.164  -1.005   1.454
  251    HG1  THR  29           HG1      THR  29   2.237   0.885   1.342
  252   HG21  THR  29          HG21      THR  29  -0.993   0.168   1.575
  253   HG22  THR  29          HG22      THR  29  -0.734   0.428   3.300
  254   HG23  THR  29          HG23      THR  29  -0.921  -1.210   2.676
  255    H    ASP  30           H        ASP  30   3.611  -1.992   2.430
  256    HA   ASP  30           HA       ASP  30   2.655  -4.559   1.941
  257    HB2  ASP  30           HB2      ASP  30   4.776  -3.566   1.043
  258    HB3  ASP  30           HB3      ASP  30   5.503  -3.788   2.629
  259    H    ASN  31           H        ASN  31   4.330  -3.216   4.745
  260    HA   ASN  31           HA       ASN  31   4.181  -5.650   6.254
  261    HB2  ASN  31           HB2      ASN  31   5.020  -2.839   6.877
  262    HB3  ASN  31           HB3      ASN  31   4.758  -3.990   8.185
  263   HD21  ASN  31          HD21      ASN  31   6.687  -3.252   5.357
  264   HD22  ASN  31          HD22      ASN  31   7.995  -4.320   5.745
  265    H    TYR  32           H        TYR  32   2.087  -2.925   5.743
  266    HA   TYR  32           HA       TYR  32   0.484  -3.280   8.075
  267    HB2  TYR  32           HB2      TYR  32   0.324  -1.181   6.895
  268    HB3  TYR  32           HB3      TYR  32  -0.139  -1.997   5.401
  269    HD1  TYR  32           HD1      TYR  32  -1.294  -1.678   8.947
  270    HD2  TYR  32           HD2      TYR  32  -2.395  -2.054   4.855
  271    HE1  TYR  32           HE1      TYR  32  -3.663  -1.485   9.574
  272    HE2  TYR  32           HE2      TYR  32  -4.770  -1.858   5.470
  273    HH   TYR  32           HH       TYR  32  -6.196  -2.244   7.463
  274    H    ALA  33           H        ALA  33   0.241  -4.418   4.741
  275    HA   ALA  33           HA       ALA  33  -2.203  -5.784   5.047
  276    HB1  ALA  33           HB1      ALA  33  -1.662  -6.859   2.941
  277    HB2  ALA  33           HB2      ALA  33   0.015  -6.335   3.084
  278    HB3  ALA  33           HB3      ALA  33  -1.266  -5.141   2.874
  279    H    ARG  34           H        ARG  34   1.130  -6.740   5.659
  280    HA   ARG  34           HA       ARG  34   0.644  -9.499   6.061
  281    HB2  ARG  34           HB2      ARG  34   2.733  -7.786   7.412
  282    HB3  ARG  34           HB3      ARG  34   2.753  -9.539   7.274
  283    HG2  ARG  34           HG2      ARG  34   2.918  -9.320   4.840
  284    HG3  ARG  34           HG3      ARG  34   2.962  -7.566   5.022
  285    HD2  ARG  34           HD2      ARG  34   4.972  -7.890   6.505
  286    HD3  ARG  34           HD3      ARG  34   4.979  -9.576   5.991
  287    HE   ARG  34           HE       ARG  34   5.078  -7.481   3.943
  288   HH11  ARG  34          HH11      ARG  34   6.635 -10.138   5.633
  289   HH12  ARG  34          HH12      ARG  34   8.014 -10.154   4.570
  290   HH21  ARG  34          HH21      ARG  34   6.837  -7.517   2.560
  291   HH22  ARG  34          HH22      ARG  34   8.126  -8.666   2.807
  292    H    GLU  35           H        GLU  35   0.350  -6.674   8.102
  293    HA   GLU  35           HA       GLU  35   0.117  -8.019  10.561
  294    HB2  GLU  35           HB2      GLU  35   0.601  -5.580  10.308
  295    HB3  GLU  35           HB3      GLU  35  -1.064  -5.336   9.800
  296    HG2  GLU  35           HG2      GLU  35  -1.725  -6.363  12.027
  297    HG3  GLU  35           HG3      GLU  35  -0.036  -6.163  12.489
  298    H    ILE  36           H        ILE  36  -2.232  -6.980   8.153
  299    HA   ILE  36           HA       ILE  36  -4.461  -7.960   9.737
  300    HB   ILE  36           HB       ILE  36  -5.880  -7.150   7.904
  301   HG12  ILE  36          HG12      ILE  36  -3.260  -6.356   6.609
  302   HG13  ILE  36          HG13      ILE  36  -4.367  -7.592   6.023
  303   HG21  ILE  36          HG21      ILE  36  -5.394  -4.760   8.167
  304   HG22  ILE  36          HG22      ILE  36  -3.805  -5.159   8.820
  305   HG23  ILE  36          HG23      ILE  36  -5.262  -5.628   9.697
  306   HD11  ILE  36          HD11      ILE  36  -4.565  -5.532   4.749
  307   HD12  ILE  36          HD12      ILE  36  -4.965  -4.650   6.224
  308   HD13  ILE  36          HD13      ILE  36  -6.060  -5.892   5.614
  309    H    GLY  37           H        GLY  37  -2.233  -9.442   7.903
  310    HA2  GLY  37           HA2      GLY  37  -2.119 -11.548   6.994
  311    HA3  GLY  37           HA3      GLY  37  -3.718 -11.843   7.660
  312    H    GLU  38           H        GLU  38  -2.457  -9.634   5.170
  313    HA   GLU  38           HA       GLU  38  -4.276 -10.889   3.239
  314    HB2  GLU  38           HB2      GLU  38  -5.324  -8.843   4.153
  315    HB3  GLU  38           HB3      GLU  38  -3.916  -7.914   3.660
  316    HG2  GLU  38           HG2      GLU  38  -5.707  -7.605   2.093
  317    HG3  GLU  38           HG3      GLU  38  -4.378  -8.476   1.329
  318    HA   PRO  39           HA       PRO  39  -0.266 -10.714   1.147
  319    HB2  PRO  39           HB2      PRO  39  -1.483 -12.511  -0.791
  320    HB3  PRO  39           HB3      PRO  39  -0.147 -12.816   0.320
  321    HG2  PRO  39           HG2      PRO  39  -2.589 -13.977   0.584
  322    HG3  PRO  39           HG3      PRO  39  -1.524 -13.634   1.958
  323    HD2  PRO  39           HD2      PRO  39  -3.916 -12.118   0.988
  324    HD3  PRO  39           HD3      PRO  39  -3.406 -12.477   2.652
  325    H    VAL  40           H        VAL  40  -3.426  -9.971   0.004
  326    HA   VAL  40           HA       VAL  40  -2.341  -8.811  -2.476
  327    HB   VAL  40           HB       VAL  40  -5.223  -9.484  -1.856
  328   HG11  VAL  40          HG11      VAL  40  -5.577  -9.137  -4.251
  329   HG12  VAL  40          HG12      VAL  40  -3.887  -8.671  -4.433
  330   HG13  VAL  40          HG13      VAL  40  -4.977  -7.677  -3.468
  331   HG21  VAL  40          HG21      VAL  40  -3.218 -10.982  -3.541
  332   HG22  VAL  40          HG22      VAL  40  -4.934 -11.363  -3.406
  333   HG23  VAL  40          HG23      VAL  40  -3.883 -11.511  -1.997
  334    H    VAL  41           H        VAL  41  -1.847  -6.752  -2.131
  335    HA   VAL  41           HA       VAL  41  -3.363  -5.113  -0.287
  336    HB   VAL  41           HB       VAL  41  -1.108  -4.287  -2.122
  337   HG11  VAL  41          HG11      VAL  41  -0.827  -2.438  -0.524
  338   HG12  VAL  41          HG12      VAL  41  -2.254  -2.995   0.351
  339   HG13  VAL  41          HG13      VAL  41  -2.407  -2.410  -1.307
  340   HG21  VAL  41          HG21      VAL  41   0.369  -4.573  -0.193
  341   HG22  VAL  41          HG22      VAL  41  -0.389  -6.100  -0.649
  342   HG23  VAL  41          HG23      VAL  41  -0.981  -5.203   0.750
  343    H    THR  42           H        THR  42  -5.318  -4.564  -1.014
  344    HA   THR  42           HA       THR  42  -5.642  -3.661  -3.785
  345    HB   THR  42           HB       THR  42  -8.109  -3.832  -3.238
  346    HG1  THR  42           HG1      THR  42  -7.680  -5.570  -1.153
  347   HG21  THR  42          HG21      THR  42  -8.170  -6.267  -3.427
  348   HG22  THR  42          HG22      THR  42  -6.478  -6.358  -2.940
  349   HG23  THR  42          HG23      THR  42  -6.918  -5.593  -4.467
  350    H    ALA  43           H        ALA  43  -7.530  -1.931  -3.924
  351    HA   ALA  43           HA       ALA  43  -6.744   0.495  -2.884
  352    HB1  ALA  43           HB1      ALA  43  -9.550  -0.325  -3.618
  353    HB2  ALA  43           HB2      ALA  43  -8.316   0.258  -4.736
  354    HB3  ALA  43           HB3      ALA  43  -8.952   1.330  -3.490
  355    H    ASP  44           H        ASP  44  -9.044  -1.815  -1.496
  356    HA   ASP  44           HA       ASP  44  -9.991  -0.229   0.604
  357    HB2  ASP  44           HB2      ASP  44  -9.744  -3.201   0.244
  358    HB3  ASP  44           HB3      ASP  44 -10.334  -2.526   1.759
  359    H    VAL  45           H        VAL  45  -7.264  -2.471   0.483
  360    HA   VAL  45           HA       VAL  45  -6.458  -2.236   3.157
  361    HB   VAL  45           HB       VAL  45  -4.735  -2.818   0.739
  362   HG11  VAL  45          HG11      VAL  45  -3.426  -2.194   2.718
  363   HG12  VAL  45          HG12      VAL  45  -3.212  -3.894   2.304
  364   HG13  VAL  45          HG13      VAL  45  -4.253  -3.439   3.651
  365   HG21  VAL  45          HG21      VAL  45  -5.087  -5.185   1.359
  366   HG22  VAL  45          HG22      VAL  45  -6.580  -4.378   0.879
  367   HG23  VAL  45          HG23      VAL  45  -6.243  -4.666   2.586
  368    H    PHE  46           H        PHE  46  -5.464  -0.445   0.263
  369    HA   PHE  46           HA       PHE  46  -3.543   1.166   1.604
  370    HB2  PHE  46           HB2      PHE  46  -3.661   0.698  -0.889
  371    HB3  PHE  46           HB3      PHE  46  -4.968   1.874  -0.962
  372    HD1  PHE  46           HD1      PHE  46  -1.384   1.387  -0.397
  373    HD2  PHE  46           HD2      PHE  46  -4.529   4.232  -0.748
  374    HE1  PHE  46           HE1      PHE  46   0.278   3.188  -0.615
  375    HE2  PHE  46           HE2      PHE  46  -2.875   6.039  -0.967
  376    HZ   PHE  46           HZ       PHE  46  -0.467   5.519  -0.901
  377    H    ARG  47           H        ARG  47  -6.986   1.486   0.981
  378    HA   ARG  47           HA       ARG  47  -7.271   4.193   1.692
  379    HB2  ARG  47           HB2      ARG  47  -9.079   2.977   0.599
  380    HB3  ARG  47           HB3      ARG  47  -9.249   1.923   1.997
  381    HG2  ARG  47           HG2      ARG  47 -10.147   3.629   3.322
  382    HG3  ARG  47           HG3      ARG  47  -9.596   4.892   2.221
  383    HD2  ARG  47           HD2      ARG  47 -11.945   4.667   1.934
  384    HD3  ARG  47           HD3      ARG  47 -11.167   3.978   0.513
  385    HE   ARG  47           HE       ARG  47 -11.629   1.906   2.333
  386   HH11  ARG  47          HH11      ARG  47 -13.436   4.161   0.357
  387   HH12  ARG  47          HH12      ARG  47 -14.804   3.098   0.160
  388   HH21  ARG  47          HH21      ARG  47 -13.442   0.517   2.114
  389   HH22  ARG  47          HH22      ARG  47 -14.812   1.029   1.165
  390    H    LYS  48           H        LYS  48  -7.430   1.249   3.648
  391    HA   LYS  48           HA       LYS  48  -7.988   2.612   6.091
  392    HB2  LYS  48           HB2      LYS  48  -6.901  -0.172   5.637
  393    HB3  LYS  48           HB3      LYS  48  -7.571   0.435   7.146
  394    HG2  LYS  48           HG2      LYS  48  -9.739   0.742   6.053
  395    HG3  LYS  48           HG3      LYS  48  -9.062   0.114   4.549
  396    HD2  LYS  48           HD2      LYS  48  -8.551  -2.008   5.727
  397    HD3  LYS  48           HD3      LYS  48  -9.364  -1.370   7.159
  398    HE2  LYS  48           HE2      LYS  48 -11.427  -1.113   5.836
  399    HE3  LYS  48           HE3      LYS  48 -10.604  -1.821   4.448
  400    HZ1  LYS  48           HZ1      LYS  48 -10.270  -3.848   5.756
  401    HZ2  LYS  48           HZ2      LYS  48 -11.916  -3.477   5.564
  402    HZ3  LYS  48           HZ3      LYS  48 -11.145  -3.163   7.043
  403    H    ALA  49           H        ALA  49  -5.119   1.693   4.394
  404    HA   ALA  49           HA       ALA  49  -3.222   1.464   6.352
  405    HB1  ALA  49           HB1      ALA  49  -2.841   1.017   3.973
  406    HB2  ALA  49           HB2      ALA  49  -1.572   2.023   4.674
  407    HB3  ALA  49           HB3      ALA  49  -2.818   2.753   3.660
  408    H    LYS  50           H        LYS  50  -4.414   4.517   4.944
  409    HA   LYS  50           HA       LYS  50  -2.380   6.156   5.959
  410    HB2  LYS  50           HB2      LYS  50  -5.192   6.729   5.100
  411    HB3  LYS  50           HB3      LYS  50  -4.219   7.993   5.840
  412    HG2  LYS  50           HG2      LYS  50  -3.723   8.390   3.669
  413    HG3  LYS  50           HG3      LYS  50  -2.471   7.199   4.013
  414    HD2  LYS  50           HD2      LYS  50  -3.500   6.630   1.928
  415    HD3  LYS  50           HD3      LYS  50  -4.002   5.439   3.131
  416    HE2  LYS  50           HE2      LYS  50  -6.121   6.562   3.410
  417    HE3  LYS  50           HE3      LYS  50  -5.623   7.844   2.309
  418    HZ1  LYS  50           HZ1      LYS  50  -7.093   6.168   1.291
  419    HZ2  LYS  50           HZ2      LYS  50  -5.889   4.994   1.534
  420    HZ3  LYS  50           HZ3      LYS  50  -5.597   6.305   0.505
  421    H    GLU  51           H        GLU  51  -5.213   4.880   7.559
  422    HA   GLU  51           HA       GLU  51  -5.054   6.700   9.779
  423    HB2  GLU  51           HB2      GLU  51  -6.535   4.097   9.404
  424    HB3  GLU  51           HB3      GLU  51  -6.646   5.078  10.857
  425    HG2  GLU  51           HG2      GLU  51  -7.477   6.951   9.447
  426    HG3  GLU  51           HG3      GLU  51  -7.503   5.838   8.079
  427    H    HIS  52           H        HIS  52  -4.096   3.354   9.184
  428    HA   HIS  52           HA       HIS  52  -3.201   2.970  11.897
  429    HB2  HIS  52           HB2      HIS  52  -4.278   1.205  10.431
  430    HB3  HIS  52           HB3      HIS  52  -2.771   1.149   9.526
  431    HD1  HIS  52           HD1      HIS  52  -4.322   0.122  12.750
  432    HD2  HIS  52           HD2      HIS  52  -0.643  -0.143  10.831
  433    HE1  HIS  52           HE1      HIS  52  -2.999  -1.581  14.051
  434    HE2  HIS  52           HE2      HIS  52  -0.920  -1.943  12.674
  435    H    LEU  53           H        LEU  53  -1.749   3.727   8.810
  436    HA   LEU  53           HA       LEU  53   0.935   3.244   9.881
  437    HB2  LEU  53           HB2      LEU  53   0.105   3.986   7.079
  438    HB3  LEU  53           HB3      LEU  53   1.701   3.472   7.593
  439    HG   LEU  53           HG       LEU  53  -0.787   1.756   7.598
  440   HD11  LEU  53          HD11      LEU  53   0.346   0.531   5.810
  441   HD12  LEU  53          HD12      LEU  53   1.659   1.709   5.839
  442   HD13  LEU  53          HD13      LEU  53   0.037   2.208   5.358
  443   HD21  LEU  53          HD21      LEU  53   0.736  -0.080   8.167
  444   HD22  LEU  53          HD22      LEU  53   0.717   1.158   9.423
  445   HD23  LEU  53          HD23      LEU  53   2.069   1.067   8.294
  446    H    GLY  54           H        GLY  54  -0.160   5.680   7.553
  447    HA2  GLY  54           HA2      GLY  54   0.218   7.903   9.260
  448    HA3  GLY  54           HA3      GLY  54   1.674   7.614   8.318
  449    H    GLY  55           H        GLY  55  -0.872   9.506   8.413
  450    HA2  GLY  55           HA2      GLY  55  -1.475   9.446   5.542
  451    HA3  GLY  55           HA3      GLY  55  -2.362  10.346   6.765
  452    H    LEU  56           H        LEU  56   0.574  10.243   4.853
  453    HA   LEU  56           HA       LEU  56   1.173  13.014   5.563
  454    HB2  LEU  56           HB2      LEU  56   2.703  10.914   4.039
  455    HB3  LEU  56           HB3      LEU  56   3.195  12.595   4.052
  456    HG   LEU  56           HG       LEU  56   3.312  12.418   6.583
  457   HD11  LEU  56          HD11      LEU  56   1.980  10.408   6.875
  458   HD12  LEU  56          HD12      LEU  56   3.608  10.176   7.511
  459   HD13  LEU  56          HD13      LEU  56   3.161   9.474   5.957
  460   HD21  LEU  56          HD21      LEU  56   5.512  11.352   6.535
  461   HD22  LEU  56          HD22      LEU  56   5.295  12.454   5.176
  462   HD23  LEU  56          HD23      LEU  56   5.167  10.711   4.929
  463    H    GLU  57           H        GLU  57   1.113  14.681   4.146
  464    HA   GLU  57           HA       GLU  57   0.360  15.954   2.438
  465    HB2  GLU  57           HB2      GLU  57   2.145  14.609   1.251
  466    HB3  GLU  57           HB3      GLU  57   0.862  13.560   0.664
  467    HG2  GLU  57           HG2      GLU  57  -0.197  15.589  -0.356
  468    HG3  GLU  57           HG3      GLU  57   1.265  16.479   0.067
  469    H    HIS  58           H        HIS  58  -1.723  15.532   3.667
  470    HA   HIS  58           HA       HIS  58  -3.608  13.937   2.092
  471    HB2  HIS  58           HB2      HIS  58  -3.452  13.571   4.570
  472    HB3  HIS  58           HB3      HIS  58  -4.062  15.206   4.802
  473    HD1  HIS  58           HD1      HIS  58  -5.108  11.786   3.680
  474    HD2  HIS  58           HD2      HIS  58  -6.813  15.514   4.394
  475    HE1  HIS  58           HE1      HIS  58  -7.598  11.419   3.618
  476    HE2  HIS  58           HE2      HIS  58  -8.608  13.656   4.198
  477    H    HIS  59           H        HIS  59  -3.651  15.487   0.374
  478    HA   HIS  59           HA       HIS  59  -5.674  17.527   0.924
  479    HB2  HIS  59           HB2      HIS  59  -4.585  19.242  -0.287
  480    HB3  HIS  59           HB3      HIS  59  -3.351  18.578   0.772
  481    HD1  HIS  59           HD1      HIS  59  -4.022  19.436  -2.676
  482    HD2  HIS  59           HD2      HIS  59  -1.506  16.780  -0.689
  483    HE1  HIS  59           HE1      HIS  59  -2.246  18.802  -4.345
  484    HE2  HIS  59           HE2      HIS  59  -0.825  17.090  -3.172
  485    H    HIS  60           H        HIS  60  -7.191  17.751  -0.671
  486    HA   HIS  60           HA       HIS  60  -7.276  15.532  -2.532
  487    HB2  HIS  60           HB2      HIS  60  -9.289  17.680  -1.852
  488    HB3  HIS  60           HB3      HIS  60  -9.575  16.413  -3.041
  489    HD1  HIS  60           HD1      HIS  60  -9.540  17.083   0.591
  490    HD2  HIS  60           HD2      HIS  60  -9.816  13.789  -1.931
  491    HE1  HIS  60           HE1      HIS  60 -10.340  15.189   2.037
  492    HE2  HIS  60           HE2      HIS  60 -10.280  13.167   0.537
  493    H    HIS  61           H        HIS  61  -6.817  15.605  -4.610
  494    HA   HIS  61           HA       HIS  61  -6.185  18.157  -5.868
  495    HB2  HIS  61           HB2      HIS  61  -4.794  16.020  -6.166
  496    HB3  HIS  61           HB3      HIS  61  -6.117  15.413  -7.149
  497    HD1  HIS  61           HD1      HIS  61  -2.979  17.072  -7.454
  498    HD2  HIS  61           HD2      HIS  61  -6.629  17.326  -9.442
  499    HE1  HIS  61           HE1      HIS  61  -2.479  18.171  -9.660
  500    HE2  HIS  61           HE2      HIS  61  -4.690  18.289 -10.866
  501    H    HIS  62           H        HIS  62  -8.556  18.661  -5.445
  502    HA   HIS  62           HA       HIS  62 -10.149  18.052  -7.790
  503    HB2  HIS  62           HB2      HIS  62 -10.602  16.157  -6.242
  504    HB3  HIS  62           HB3      HIS  62 -11.127  17.308  -5.020
  505    HD1  HIS  62           HD1      HIS  62 -13.491  18.264  -5.230
  506    HD2  HIS  62           HD2      HIS  62 -12.401  15.789  -8.390
  507    HE1  HIS  62           HE1      HIS  62 -15.614  17.792  -6.492
  508    HE2  HIS  62           HE2      HIS  62 -14.961  16.130  -8.266
  509    H    HIS  63           H        HIS  63 -10.570  20.089  -8.348
  510    HA   HIS  63           HA       HIS  63 -11.381  21.998  -6.265
  511    HB2  HIS  63           HB2      HIS  63  -9.477  22.637  -7.741
  512    HB3  HIS  63           HB3      HIS  63 -10.557  22.546  -9.127
  513    HD1  HIS  63           HD1      HIS  63 -12.322  24.459  -9.389
  514    HD2  HIS  63           HD2      HIS  63  -9.732  24.915  -6.162
  515    HE1  HIS  63           HE1      HIS  63 -12.580  26.846  -8.635
  516    HE2  HIS  63           HE2      HIS  63 -10.911  27.138  -6.773
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1  12.107 -12.644  -2.426
    2    H2   MET   1           H2       MET   1  10.764 -11.667  -2.082
    3    H3   MET   1           H3       MET   1  10.680 -13.343  -1.828
    4    HA   MET   1           HA       MET   1  12.430 -13.159  -0.140
    5    HB2  MET   1           HB2      MET   1  13.380 -11.037  -1.031
    6    HB3  MET   1           HB3      MET   1  11.945 -10.190  -0.478
    7    HG2  MET   1           HG2      MET   1  13.731  -9.840   1.081
    8    HG3  MET   1           HG3      MET   1  12.486 -10.835   1.835
    9    HE1  MET   1           HE1      MET   1  15.177 -11.950  -0.819
   10    HE2  MET   1           HE2      MET   1  16.484 -12.502   0.228
   11    HE3  MET   1           HE3      MET   1  16.055 -10.794   0.186
   12    H    GLY   2           H        GLY   2   9.694 -10.924  -0.552
   13    HA2  GLY   2           HA2      GLY   2   7.951 -12.350   1.118
   14    HA3  GLY   2           HA3      GLY   2   8.728 -11.108   2.090
   15    H    GLU   3           H        GLU   3   8.367 -10.349  -1.221
   16    HA   GLU   3           HA       GLU   3   6.754  -8.088  -0.598
   17    HB2  GLU   3           HB2      GLU   3   7.327  -9.165  -3.360
   18    HB3  GLU   3           HB3      GLU   3   6.934  -7.512  -2.914
   19    HG2  GLU   3           HG2      GLU   3   9.162  -7.259  -3.149
   20    HG3  GLU   3           HG3      GLU   3   9.156  -7.805  -1.473
   21    H    LEU   4           H        LEU   4   4.620  -7.742  -0.858
   22    HA   LEU   4           HA       LEU   4   2.973 -10.069  -1.510
   23    HB2  LEU   4           HB2      LEU   4   2.292  -7.373  -0.332
   24    HB3  LEU   4           HB3      LEU   4   1.100  -8.606  -0.698
   25    HG   LEU   4           HG       LEU   4   3.351  -8.855   1.299
   26   HD11  LEU   4          HD11      LEU   4   1.544  -8.893   2.948
   27   HD12  LEU   4          HD12      LEU   4   0.371  -8.612   1.663
   28   HD13  LEU   4          HD13      LEU   4   1.569  -7.378   2.045
   29   HD21  LEU   4          HD21      LEU   4   2.304 -10.983   1.904
   30   HD22  LEU   4          HD22      LEU   4   2.869 -10.994   0.232
   31   HD23  LEU   4          HD23      LEU   4   1.152 -10.792   0.582
   32    H    SER   5           H        SER   5   0.846  -9.429  -2.679
   33    HA   SER   5           HA       SER   5   1.684  -8.391  -5.252
   34    HB2  SER   5           HB2      SER   5  -0.943  -9.637  -4.400
   35    HB3  SER   5           HB3      SER   5  -0.443  -9.308  -6.060
   36    HG   SER   5           HG       SER   5   0.862 -10.986  -6.024
   37    H    TRP   6           H        TRP   6   1.490  -6.309  -5.685
   38    HA   TRP   6           HA       TRP   6  -0.520  -4.711  -4.306
   39    HB2  TRP   6           HB2      TRP   6   1.931  -4.085  -5.906
   40    HB3  TRP   6           HB3      TRP   6   0.677  -2.860  -5.742
   41    HD1  TRP   6           HD1      TRP   6   2.980  -5.008  -3.472
   42    HE1  TRP   6           HE1      TRP   6   3.431  -3.665  -1.303
   43    HE3  TRP   6           HE3      TRP   6  -0.054  -0.992  -4.375
   44    HZ2  TRP   6           HZ2      TRP   6   2.591  -1.230  -0.160
   45    HZ3  TRP   6           HZ3      TRP   6  -0.171   0.803  -2.695
   46    HH2  TRP   6           HH2      TRP   6   1.127   0.682  -0.629
   47    H    THR   7           H        THR   7  -2.371  -4.120  -5.210
   48    HA   THR   7           HA       THR   7  -3.027  -5.035  -7.851
   49    HB   THR   7           HB       THR   7  -5.243  -3.940  -7.367
   50    HG1  THR   7           HG1      THR   7  -4.227  -3.611  -4.727
   51   HG21  THR   7          HG21      THR   7  -4.837  -6.309  -6.871
   52   HG22  THR   7          HG22      THR   7  -5.913  -5.580  -5.679
   53   HG23  THR   7          HG23      THR   7  -4.219  -5.869  -5.281
   54    H    ALA   8           H        ALA   8  -3.873  -3.685  -9.540
   55    HA   ALA   8           HA       ALA   8  -2.384  -1.367 -10.099
   56    HB1  ALA   8           HB1      ALA   8  -5.022  -2.208 -11.297
   57    HB2  ALA   8           HB2      ALA   8  -3.435  -2.762 -11.831
   58    HB3  ALA   8           HB3      ALA   8  -3.876  -1.062 -11.992
   59    H    GLU   9           H        GLU   9  -5.444  -1.871  -8.504
   60    HA   GLU   9           HA       GLU   9  -6.397   0.758  -8.392
   61    HB2  GLU   9           HB2      GLU   9  -6.673  -1.595  -6.535
   62    HB3  GLU   9           HB3      GLU   9  -7.425  -0.050  -6.178
   63    HG2  GLU   9           HG2      GLU   9  -8.988  -1.605  -7.201
   64    HG3  GLU   9           HG3      GLU   9  -8.734  -0.182  -8.205
   65    H    ALA  10           H        ALA  10  -4.369  -1.014  -6.069
   66    HA   ALA  10           HA       ALA  10  -3.965   1.180  -4.336
   67    HB1  ALA  10           HB1      ALA  10  -2.252  -1.269  -4.730
   68    HB2  ALA  10           HB2      ALA  10  -3.628  -1.128  -3.634
   69    HB3  ALA  10           HB3      ALA  10  -2.177  -0.163  -3.357
   70    H    GLU  11           H        GLU  11  -1.972  -0.193  -6.932
   71    HA   GLU  11           HA       GLU  11   0.164   1.610  -6.781
   72    HB2  GLU  11           HB2      GLU  11  -0.957  -0.080  -8.992
   73    HB3  GLU  11           HB3      GLU  11   0.391   1.009  -9.292
   74    HG2  GLU  11           HG2      GLU  11   0.436  -1.071  -7.123
   75    HG3  GLU  11           HG3      GLU  11   0.955  -1.399  -8.776
   76    H    LYS  12           H        LYS  12  -2.986   1.921  -8.305
   77    HA   LYS  12           HA       LYS  12  -2.482   4.143  -9.936
   78    HB2  LYS  12           HB2      LYS  12  -4.562   2.807 -10.015
   79    HB3  LYS  12           HB3      LYS  12  -5.029   3.457  -8.451
   80    HG2  LYS  12           HG2      LYS  12  -5.043   5.725  -9.452
   81    HG3  LYS  12           HG3      LYS  12  -4.715   4.992 -11.022
   82    HD2  LYS  12           HD2      LYS  12  -7.126   4.471  -9.282
   83    HD3  LYS  12           HD3      LYS  12  -7.092   5.458 -10.743
   84    HE2  LYS  12           HE2      LYS  12  -6.511   2.500 -10.598
   85    HE3  LYS  12           HE3      LYS  12  -8.009   3.229 -11.175
   86    HZ1  LYS  12           HZ1      LYS  12  -6.535   2.588 -12.990
   87    HZ2  LYS  12           HZ2      LYS  12  -5.330   3.626 -12.402
   88    HZ3  LYS  12           HZ3      LYS  12  -6.792   4.268 -12.976
   89    H    MET  13           H        MET  13  -3.466   3.934  -6.549
   90    HA   MET  13           HA       MET  13  -3.555   6.797  -6.237
   91    HB2  MET  13           HB2      MET  13  -3.714   4.572  -4.195
   92    HB3  MET  13           HB3      MET  13  -3.994   6.275  -3.852
   93    HG2  MET  13           HG2      MET  13  -5.901   6.283  -5.357
   94    HG3  MET  13           HG3      MET  13  -5.606   4.592  -5.757
   95    HE1  MET  13           HE1      MET  13  -4.789   3.426  -2.867
   96    HE2  MET  13           HE2      MET  13  -5.842   2.604  -4.015
   97    HE3  MET  13           HE3      MET  13  -6.358   2.816  -2.342
   98    H    LEU  14           H        LEU  14  -1.283   4.226  -5.652
   99    HA   LEU  14           HA       LEU  14   0.459   5.769  -3.969
  100    HB2  LEU  14           HB2      LEU  14   0.281   3.310  -3.841
  101    HB3  LEU  14           HB3      LEU  14   0.957   3.185  -5.452
  102    HG   LEU  14           HG       LEU  14   3.053   4.231  -4.615
  103   HD11  LEU  14          HD11      LEU  14   1.727   3.909  -1.926
  104   HD12  LEU  14          HD12      LEU  14   2.130   5.435  -2.714
  105   HD13  LEU  14          HD13      LEU  14   3.415   4.343  -2.198
  106   HD21  LEU  14          HD21      LEU  14   3.826   2.244  -3.408
  107   HD22  LEU  14          HD22      LEU  14   2.855   1.817  -4.817
  108   HD23  LEU  14          HD23      LEU  14   2.154   1.722  -3.201
  109    H    GLY  15           H        GLY  15   0.141   5.156  -7.384
  110    HA2  GLY  15           HA2      GLY  15   2.753   5.915  -8.194
  111    HA3  GLY  15           HA3      GLY  15   1.330   5.854  -9.220
  112    H    LYS  16           H        LYS  16   0.037   7.755  -7.196
  113    HA   LYS  16           HA       LYS  16   0.786  10.187  -8.505
  114    HB2  LYS  16           HB2      LYS  16  -1.502   9.355  -7.444
  115    HB3  LYS  16           HB3      LYS  16  -0.855  10.127  -6.006
  116    HG2  LYS  16           HG2      LYS  16  -0.973  11.600  -8.599
  117    HG3  LYS  16           HG3      LYS  16  -2.398  11.456  -7.574
  118    HD2  LYS  16           HD2      LYS  16  -1.251  12.545  -5.752
  119    HD3  LYS  16           HD3      LYS  16   0.259  12.561  -6.668
  120    HE2  LYS  16           HE2      LYS  16  -0.677  14.078  -8.281
  121    HE3  LYS  16           HE3      LYS  16  -2.267  13.966  -7.525
  122    HZ1  LYS  16           HZ1      LYS  16  -1.497  15.099  -5.625
  123    HZ2  LYS  16           HZ2      LYS  16  -0.940  15.991  -6.957
  124    HZ3  LYS  16           HZ3      LYS  16   0.127  14.981  -6.105
  125    H    VAL  17           H        VAL  17   1.761   8.459  -5.739
  126    HA   VAL  17           HA       VAL  17   2.838  10.737  -4.302
  127    HB   VAL  17           HB       VAL  17   2.996   7.773  -3.708
  128   HG11  VAL  17          HG11      VAL  17   4.798   8.990  -2.628
  129   HG12  VAL  17          HG12      VAL  17   3.609   8.466  -1.436
  130   HG13  VAL  17          HG13      VAL  17   3.643  10.146  -1.967
  131   HG21  VAL  17          HG21      VAL  17   0.699   8.600  -3.689
  132   HG22  VAL  17          HG22      VAL  17   1.166   9.883  -2.569
  133   HG23  VAL  17          HG23      VAL  17   1.244   8.195  -2.062
  134    HA   PRO  18           HA       PRO  18   6.782  10.721  -6.416
  135    HB2  PRO  18           HB2      PRO  18   7.671  11.663  -3.724
  136    HB3  PRO  18           HB3      PRO  18   8.001  12.347  -5.321
  137    HG2  PRO  18           HG2      PRO  18   6.220  13.484  -3.714
  138    HG3  PRO  18           HG3      PRO  18   5.919  13.367  -5.458
  139    HD2  PRO  18           HD2      PRO  18   4.751  11.778  -3.219
  140    HD3  PRO  18           HD3      PRO  18   3.998  12.317  -4.733
  141    H    PHE  19           H        PHE  19   8.545   9.409  -6.517
  142    HA   PHE  19           HA       PHE  19   8.088   6.858  -5.435
  143    HB2  PHE  19           HB2      PHE  19   9.310   7.615  -7.618
  144    HB3  PHE  19           HB3      PHE  19  10.744   7.602  -6.595
  145    HD1  PHE  19           HD1      PHE  19   8.053   5.554  -8.009
  146    HD2  PHE  19           HD2      PHE  19  11.732   5.547  -5.878
  147    HE1  PHE  19           HE1      PHE  19   8.235   3.120  -8.342
  148    HE2  PHE  19           HE2      PHE  19  11.924   3.114  -6.205
  149    HZ   PHE  19           HZ       PHE  19  10.172   1.897  -7.439
  150    H    PHE  20           H        PHE  20  10.194   9.450  -4.416
  151    HA   PHE  20           HA       PHE  20  12.025   8.098  -2.826
  152    HB2  PHE  20           HB2      PHE  20  10.757  10.761  -2.158
  153    HB3  PHE  20           HB3      PHE  20  12.319  10.170  -1.606
  154    HD1  PHE  20           HD2      PHE  20  14.109   9.737  -3.385
  155    HD2  PHE  20           HD1      PHE  20  10.587  12.017  -4.088
  156    HE1  PHE  20           HE2      PHE  20  15.190  10.796  -5.328
  157    HE2  PHE  20           HE1      PHE  20  11.660  13.083  -6.034
  158    HZ   PHE  20           HZ       PHE  20  13.965  12.471  -6.654
  159    H    VAL  21           H        VAL  21   8.937   9.540  -1.799
  160    HA   VAL  21           HA       VAL  21   9.076   8.125   0.722
  161    HB   VAL  21           HB       VAL  21   6.995   9.315   1.290
  162   HG11  VAL  21          HG11      VAL  21   9.134  11.094   0.121
  163   HG12  VAL  21          HG12      VAL  21   9.152  10.372   1.732
  164   HG13  VAL  21          HG13      VAL  21   7.930  11.577   1.318
  165   HG21  VAL  21          HG21      VAL  21   6.111  11.034  -0.231
  166   HG22  VAL  21          HG22      VAL  21   5.967   9.415  -0.917
  167   HG23  VAL  21          HG23      VAL  21   7.241  10.502  -1.476
  168    H    ARG  22           H        ARG  22   7.652   7.752  -2.380
  169    HA   ARG  22           HA       ARG  22   5.452   6.125  -1.797
  170    HB2  ARG  22           HB2      ARG  22   5.926   7.016  -4.055
  171    HB3  ARG  22           HB3      ARG  22   7.318   5.947  -4.176
  172    HG2  ARG  22           HG2      ARG  22   5.638   4.048  -3.787
  173    HG3  ARG  22           HG3      ARG  22   4.408   5.247  -4.177
  174    HD2  ARG  22           HD2      ARG  22   6.726   4.466  -5.942
  175    HD3  ARG  22           HD3      ARG  22   5.065   3.909  -6.129
  176    HE   ARG  22           HE       ARG  22   5.219   6.758  -6.157
  177   HH11  ARG  22          HH11      ARG  22   5.689   3.875  -8.091
  178   HH12  ARG  22          HH12      ARG  22   5.528   4.702  -9.609
  179   HH21  ARG  22          HH21      ARG  22   4.980   7.855  -8.170
  180   HH22  ARG  22          HH22      ARG  22   5.105   6.951  -9.653
  181    H    LYS  23           H        LYS  23   8.840   5.292  -2.429
  182    HA   LYS  23           HA       LYS  23   8.609   2.512  -2.236
  183    HB2  LYS  23           HB2      LYS  23  10.574   3.710  -3.144
  184    HB3  LYS  23           HB3      LYS  23  10.976   4.258  -1.524
  185    HG2  LYS  23           HG2      LYS  23  11.356   1.965  -0.819
  186    HG3  LYS  23           HG3      LYS  23  10.900   1.386  -2.425
  187    HD2  LYS  23           HD2      LYS  23  12.776   2.604  -3.406
  188    HD3  LYS  23           HD3      LYS  23  13.223   3.217  -1.810
  189    HE2  LYS  23           HE2      LYS  23  13.585   0.897  -1.058
  190    HE3  LYS  23           HE3      LYS  23  13.200   0.331  -2.683
  191    HZ1  LYS  23           HZ1      LYS  23  15.105   1.456  -3.551
  192    HZ2  LYS  23           HZ2      LYS  23  15.613   0.515  -2.233
  193    HZ3  LYS  23           HZ3      LYS  23  15.428   2.191  -2.057
  194    H    LYS  24           H        LYS  24   9.128   4.982   0.230
  195    HA   LYS  24           HA       LYS  24   9.609   3.263   2.414
  196    HB2  LYS  24           HB2      LYS  24   8.391   6.033   2.339
  197    HB3  LYS  24           HB3      LYS  24   8.904   5.212   3.805
  198    HG2  LYS  24           HG2      LYS  24  10.735   5.895   1.515
  199    HG3  LYS  24           HG3      LYS  24  10.525   6.882   2.962
  200    HD2  LYS  24           HD2      LYS  24  11.497   4.026   2.908
  201    HD3  LYS  24           HD3      LYS  24  12.512   5.454   3.114
  202    HE2  LYS  24           HE2      LYS  24  11.275   6.015   5.162
  203    HE3  LYS  24           HE3      LYS  24  10.307   4.554   4.967
  204    HZ1  LYS  24           HZ1      LYS  24  12.033   4.098   6.516
  205    HZ2  LYS  24           HZ2      LYS  24  13.226   4.719   5.481
  206    HZ3  LYS  24           HZ3      LYS  24  12.426   3.279   5.079
  207    H    VAL  25           H        VAL  25   6.623   4.908   1.375
  208    HA   VAL  25           HA       VAL  25   4.965   3.784   3.351
  209    HB   VAL  25           HB       VAL  25   4.185   4.836   0.621
  210   HG11  VAL  25          HG11      VAL  25   2.515   4.404   3.098
  211   HG12  VAL  25          HG12      VAL  25   2.422   3.468   1.606
  212   HG13  VAL  25          HG13      VAL  25   1.967   5.172   1.606
  213   HG21  VAL  25          HG21      VAL  25   5.382   6.500   1.923
  214   HG22  VAL  25          HG22      VAL  25   4.325   6.205   3.306
  215   HG23  VAL  25          HG23      VAL  25   3.670   6.916   1.830
  216    H    ARG  26           H        ARG  26   5.724   2.790   0.058
  217    HA   ARG  26           HA       ARG  26   3.849   0.759  -0.270
  218    HB2  ARG  26           HB2      ARG  26   5.557   1.802  -1.919
  219    HB3  ARG  26           HB3      ARG  26   6.655   0.563  -1.327
  220    HG2  ARG  26           HG2      ARG  26   5.165  -1.173  -2.079
  221    HG3  ARG  26           HG3      ARG  26   3.968   0.030  -2.570
  222    HD2  ARG  26           HD2      ARG  26   5.780   0.994  -4.067
  223    HD3  ARG  26           HD3      ARG  26   6.687  -0.482  -3.746
  224    HE   ARG  26           HE       ARG  26   4.019  -0.458  -5.020
  225   HH11  ARG  26          HH11      ARG  26   7.274  -1.716  -4.692
  226   HH12  ARG  26          HH12      ARG  26   7.102  -2.820  -6.026
  227   HH21  ARG  26          HH21      ARG  26   3.811  -1.869  -6.773
  228   HH22  ARG  26          HH22      ARG  26   5.142  -2.904  -7.217
  229    H    LYS  27           H        LYS  27   7.211   0.514   0.864
  230    HA   LYS  27           HA       LYS  27   7.218  -2.226   1.443
  231    HB2  LYS  27           HB2      LYS  27   9.221  -0.755   1.254
  232    HB3  LYS  27           HB3      LYS  27   8.799  -0.036   2.800
  233    HG2  LYS  27           HG2      LYS  27   9.092  -2.210   3.889
  234    HG3  LYS  27           HG3      LYS  27   9.531  -2.920   2.333
  235    HD2  LYS  27           HD2      LYS  27  11.439  -1.397   2.174
  236    HD3  LYS  27           HD3      LYS  27  10.994  -0.676   3.721
  237    HE2  LYS  27           HE2      LYS  27  12.801  -2.255   4.034
  238    HE3  LYS  27           HE3      LYS  27  11.340  -2.851   4.815
  239    HZ1  LYS  27           HZ1      LYS  27  12.008  -3.707   2.071
  240    HZ2  LYS  27           HZ2      LYS  27  11.072  -4.502   3.243
  241    HZ3  LYS  27           HZ3      LYS  27  12.759  -4.438   3.400
  242    H    ASN  28           H        ASN  28   6.013   0.501   3.244
  243    HA   ASN  28           HA       ASN  28   5.895  -0.857   5.767
  244    HB2  ASN  28           HB2      ASN  28   4.642   1.725   4.809
  245    HB3  ASN  28           HB3      ASN  28   4.477   1.114   6.451
  246   HD21  ASN  28          HD21      ASN  28   5.694   3.577   5.450
  247   HD22  ASN  28          HD22      ASN  28   7.330   3.568   6.014
  248    H    THR  29           H        THR  29   3.825  -0.466   3.006
  249    HA   THR  29           HA       THR  29   1.429  -1.291   4.365
  250    HB   THR  29           HB       THR  29   1.721  -1.483   1.417
  251    HG1  THR  29           HG1      THR  29   2.625   0.532   1.772
  252   HG21  THR  29          HG21      THR  29  -0.388  -2.098   2.452
  253   HG22  THR  29          HG22      THR  29  -0.577  -0.644   1.469
  254   HG23  THR  29          HG23      THR  29  -0.475  -0.517   3.227
  255    H    ASP  30           H        ASP  30   3.908  -2.823   2.361
  256    HA   ASP  30           HA       ASP  30   2.711  -5.309   1.993
  257    HB2  ASP  30           HB2      ASP  30   5.563  -4.423   2.233
  258    HB3  ASP  30           HB3      ASP  30   5.201  -6.145   2.215
  259    H    ASN  31           H        ASN  31   4.694  -4.145   4.690
  260    HA   ASN  31           HA       ASN  31   4.241  -6.473   6.278
  261    HB2  ASN  31           HB2      ASN  31   5.412  -3.767   6.817
  262    HB3  ASN  31           HB3      ASN  31   5.029  -4.840   8.160
  263   HD21  ASN  31          HD21      ASN  31   7.612  -3.864   7.163
  264   HD22  ASN  31          HD22      ASN  31   8.547  -5.282   6.839
  265    H    TYR  32           H        TYR  32   2.471  -3.550   5.697
  266    HA   TYR  32           HA       TYR  32   0.908  -3.633   8.086
  267    HB2  TYR  32           HB2      TYR  32   1.080  -1.550   6.858
  268    HB3  TYR  32           HB3      TYR  32   0.393  -2.293   5.414
  269    HD1  TYR  32           HD1      TYR  32  -0.445  -1.664   9.001
  270    HD2  TYR  32           HD2      TYR  32  -1.867  -2.033   5.008
  271    HE1  TYR  32           HE1      TYR  32  -2.699  -1.043   9.755
  272    HE2  TYR  32           HE2      TYR  32  -4.128  -1.409   5.752
  273    HH   TYR  32           HH       TYR  32  -5.460  -1.424   7.812
  274    H    ALA  33           H        ALA  33   0.432  -4.786   4.780
  275    HA   ALA  33           HA       ALA  33  -2.174  -5.792   5.135
  276    HB1  ALA  33           HB1      ALA  33  -1.195  -5.396   2.937
  277    HB2  ALA  33           HB2      ALA  33  -1.757  -7.061   3.091
  278    HB3  ALA  33           HB3      ALA  33  -0.037  -6.697   3.209
  279    H    ARG  34           H        ARG  34   0.995  -7.134   5.792
  280    HA   ARG  34           HA       ARG  34   0.259  -9.806   6.252
  281    HB2  ARG  34           HB2      ARG  34   2.414  -8.208   7.648
  282    HB3  ARG  34           HB3      ARG  34   2.299  -9.961   7.592
  283    HG2  ARG  34           HG2      ARG  34   2.617  -9.919   5.190
  284    HG3  ARG  34           HG3      ARG  34   2.699  -8.159   5.226
  285    HD2  ARG  34           HD2      ARG  34   4.930  -9.124   5.113
  286    HD3  ARG  34           HD3      ARG  34   4.689  -8.281   6.642
  287    HE   ARG  34           HE       ARG  34   4.147 -11.120   6.703
  288   HH11  ARG  34          HH11      ARG  34   6.535  -8.598   7.181
  289   HH12  ARG  34          HH12      ARG  34   7.536  -9.573   8.218
  290   HH21  ARG  34          HH21      ARG  34   5.466 -12.409   8.038
  291   HH22  ARG  34          HH22      ARG  34   6.927 -11.740   8.700
  292    H    GLU  35           H        GLU  35   0.097  -6.932   8.247
  293    HA   GLU  35           HA       GLU  35  -0.306  -8.276  10.700
  294    HB2  GLU  35           HB2      GLU  35   0.522  -5.951  10.530
  295    HB3  GLU  35           HB3      GLU  35  -1.050  -5.446   9.933
  296    HG2  GLU  35           HG2      GLU  35  -2.077  -6.073  12.041
  297    HG3  GLU  35           HG3      GLU  35  -0.519  -6.642  12.642
  298    H    ILE  36           H        ILE  36  -2.518  -6.825   8.345
  299    HA   ILE  36           HA       ILE  36  -4.828  -7.552   9.932
  300    HB   ILE  36           HB       ILE  36  -6.137  -6.598   8.022
  301   HG12  ILE  36          HG12      ILE  36  -3.376  -5.909   6.983
  302   HG13  ILE  36          HG13      ILE  36  -4.522  -7.008   6.223
  303   HG21  ILE  36          HG21      ILE  36  -5.513  -4.276   8.508
  304   HG22  ILE  36          HG22      ILE  36  -4.003  -4.836   9.226
  305   HG23  ILE  36          HG23      ILE  36  -5.543  -5.262   9.971
  306   HD11  ILE  36          HD11      ILE  36  -4.908  -4.052   6.619
  307   HD12  ILE  36          HD12      ILE  36  -6.057  -5.149   5.854
  308   HD13  ILE  36          HD13      ILE  36  -4.489  -4.854   5.106
  309    H    GLY  37           H        GLY  37  -2.947  -8.992   7.458
  310    HA2  GLY  37           HA2      GLY  37  -3.122 -11.308   6.993
  311    HA3  GLY  37           HA3      GLY  37  -4.809 -11.254   7.476
  312    H    GLU  38           H        GLU  38  -3.045  -9.248   5.159
  313    HA   GLU  38           HA       GLU  38  -4.882 -10.200   3.058
  314    HB2  GLU  38           HB2      GLU  38  -3.583  -7.483   3.344
  315    HB3  GLU  38           HB3      GLU  38  -4.577  -7.989   1.987
  316    HG2  GLU  38           HG2      GLU  38  -5.506  -7.774   4.840
  317    HG3  GLU  38           HG3      GLU  38  -5.789  -6.577   3.578
  318    HA   PRO  39           HA       PRO  39  -0.916 -11.529   1.296
  319    HB2  PRO  39           HB2      PRO  39  -2.643 -12.897  -0.638
  320    HB3  PRO  39           HB3      PRO  39  -1.459 -13.581   0.477
  321    HG2  PRO  39           HG2      PRO  39  -4.110 -13.934   0.813
  322    HG3  PRO  39           HG3      PRO  39  -2.990 -13.804   2.181
  323    HD2  PRO  39           HD2      PRO  39  -4.817 -11.724   1.025
  324    HD3  PRO  39           HD3      PRO  39  -4.481 -12.107   2.729
  325    H    VAL  40           H        VAL  40  -3.722 -10.090  -0.192
  326    HA   VAL  40           HA       VAL  40  -2.009  -8.999  -2.331
  327    HB   VAL  40           HB       VAL  40  -5.013  -9.356  -2.401
  328   HG11  VAL  40          HG11      VAL  40  -3.064  -8.498  -4.534
  329   HG12  VAL  40          HG12      VAL  40  -4.266  -7.480  -3.742
  330   HG13  VAL  40          HG13      VAL  40  -4.783  -8.805  -4.785
  331   HG21  VAL  40          HG21      VAL  40  -3.838 -11.514  -2.459
  332   HG22  VAL  40          HG22      VAL  40  -2.888 -10.949  -3.834
  333   HG23  VAL  40          HG23      VAL  40  -4.633 -11.153  -3.991
  334    H    VAL  41           H        VAL  41  -1.659  -6.870  -2.239
  335    HA   VAL  41           HA       VAL  41  -3.037  -5.282  -0.257
  336    HB   VAL  41           HB       VAL  41  -0.960  -4.393  -2.267
  337   HG11  VAL  41          HG11      VAL  41  -1.931  -3.134   0.297
  338   HG12  VAL  41          HG12      VAL  41  -2.239  -2.552  -1.340
  339   HG13  VAL  41          HG13      VAL  41  -0.599  -2.541  -0.692
  340   HG21  VAL  41          HG21      VAL  41   0.662  -4.634  -0.443
  341   HG22  VAL  41          HG22      VAL  41  -0.075  -6.180  -0.866
  342   HG23  VAL  41          HG23      VAL  41  -0.597  -5.319   0.583
  343    H    THR  42           H        THR  42  -5.089  -4.919  -0.871
  344    HA   THR  42           HA       THR  42  -5.728  -4.068  -3.560
  345    HB   THR  42           HB       THR  42  -8.064  -3.959  -2.704
  346    HG1  THR  42           HG1      THR  42  -7.893  -5.245  -0.425
  347   HG21  THR  42          HG21      THR  42  -8.337  -6.369  -2.353
  348   HG22  THR  42          HG22      THR  42  -6.603  -6.529  -2.074
  349   HG23  THR  42          HG23      THR  42  -7.201  -6.040  -3.660
  350    H    ALA  43           H        ALA  43  -7.268  -2.121  -3.737
  351    HA   ALA  43           HA       ALA  43  -6.043   0.242  -2.901
  352    HB1  ALA  43           HB1      ALA  43  -8.948  -0.165  -3.613
  353    HB2  ALA  43           HB2      ALA  43  -7.639   0.110  -4.762
  354    HB3  ALA  43           HB3      ALA  43  -8.081   1.371  -3.611
  355    H    ASP  44           H        ASP  44  -8.498  -1.729  -1.369
  356    HA   ASP  44           HA       ASP  44  -9.301   0.147   0.601
  357    HB2  ASP  44           HB2      ASP  44 -10.645  -1.827  -0.076
  358    HB3  ASP  44           HB3      ASP  44  -9.456  -2.874   0.691
  359    H    VAL  45           H        VAL  45  -6.865  -2.399   0.509
  360    HA   VAL  45           HA       VAL  45  -6.112  -2.259   3.231
  361    HB   VAL  45           HB       VAL  45  -4.480  -3.150   0.844
  362   HG11  VAL  45          HG11      VAL  45  -3.051  -2.599   2.749
  363   HG12  VAL  45          HG12      VAL  45  -3.079  -4.338   2.459
  364   HG13  VAL  45          HG13      VAL  45  -4.016  -3.650   3.785
  365   HG21  VAL  45          HG21      VAL  45  -6.523  -4.441   1.129
  366   HG22  VAL  45          HG22      VAL  45  -6.122  -4.726   2.824
  367   HG23  VAL  45          HG23      VAL  45  -5.112  -5.413   1.550
  368    H    PHE  46           H        PHE  46  -4.749  -0.750   0.314
  369    HA   PHE  46           HA       PHE  46  -2.706   0.672   1.664
  370    HB2  PHE  46           HB2      PHE  46  -2.623   0.234  -0.747
  371    HB3  PHE  46           HB3      PHE  46  -4.037   1.251  -0.992
  372    HD1  PHE  46           HD1      PHE  46  -0.667   1.485   0.598
  373    HD2  PHE  46           HD2      PHE  46  -3.666   3.379  -1.753
  374    HE1  PHE  46           HE1      PHE  46   0.794   3.444   0.321
  375    HE2  PHE  46           HE2      PHE  46  -2.209   5.342  -2.035
  376    HZ   PHE  46           HZ       PHE  46   0.023   5.376  -0.998
  377    H    ARG  47           H        ARG  47  -6.049   1.390   0.918
  378    HA   ARG  47           HA       ARG  47  -6.056   4.125   1.563
  379    HB2  ARG  47           HB2      ARG  47  -7.885   3.042   0.373
  380    HB3  ARG  47           HB3      ARG  47  -8.247   2.058   1.781
  381    HG2  ARG  47           HG2      ARG  47  -9.070   3.907   2.985
  382    HG3  ARG  47           HG3      ARG  47  -8.401   5.055   1.819
  383    HD2  ARG  47           HD2      ARG  47 -10.857   4.706   1.603
  384    HD3  ARG  47           HD3      ARG  47  -9.945   4.349   0.137
  385    HE   ARG  47           HE       ARG  47 -10.763   2.189   1.971
  386   HH11  ARG  47          HH11      ARG  47 -10.681   3.639  -1.224
  387   HH12  ARG  47          HH12      ARG  47 -11.499   2.308  -1.995
  388   HH21  ARG  47          HH21      ARG  47 -11.837   0.421   0.955
  389   HH22  ARG  47          HH22      ARG  47 -12.175   0.492  -0.752
  390    H    LYS  48           H        LYS  48  -6.739   1.258   3.555
  391    HA   LYS  48           HA       LYS  48  -7.113   2.669   5.979
  392    HB2  LYS  48           HB2      LYS  48  -6.373  -0.189   5.379
  393    HB3  LYS  48           HB3      LYS  48  -6.550   0.404   7.022
  394    HG2  LYS  48           HG2      LYS  48  -8.868   0.994   6.573
  395    HG3  LYS  48           HG3      LYS  48  -8.696   0.428   4.910
  396    HD2  LYS  48           HD2      LYS  48  -8.307  -1.825   5.661
  397    HD3  LYS  48           HD3      LYS  48  -8.263  -1.302   7.346
  398    HE2  LYS  48           HE2      LYS  48 -10.402  -2.348   6.775
  399    HE3  LYS  48           HE3      LYS  48 -10.601  -0.656   7.225
  400    HZ1  LYS  48           HZ1      LYS  48 -11.919  -1.252   5.281
  401    HZ2  LYS  48           HZ2      LYS  48 -10.513  -1.693   4.442
  402    HZ3  LYS  48           HZ3      LYS  48 -10.758  -0.078   4.896
  403    H    ALA  49           H        ALA  49  -4.282   1.425   4.340
  404    HA   ALA  49           HA       ALA  49  -2.432   1.578   6.435
  405    HB1  ALA  49           HB1      ALA  49  -1.983   1.967   3.480
  406    HB2  ALA  49           HB2      ALA  49  -1.940   0.434   4.354
  407    HB3  ALA  49           HB3      ALA  49  -0.724   1.669   4.679
  408    H    LYS  50           H        LYS  50  -3.662   4.043   4.239
  409    HA   LYS  50           HA       LYS  50  -1.797   6.058   4.764
  410    HB2  LYS  50           HB2      LYS  50  -4.717   6.213   4.044
  411    HB3  LYS  50           HB3      LYS  50  -3.700   7.638   4.197
  412    HG2  LYS  50           HG2      LYS  50  -2.211   6.694   2.451
  413    HG3  LYS  50           HG3      LYS  50  -3.367   5.375   2.243
  414    HD2  LYS  50           HD2      LYS  50  -5.074   6.887   1.530
  415    HD3  LYS  50           HD3      LYS  50  -4.092   8.287   1.964
  416    HE2  LYS  50           HE2      LYS  50  -2.452   7.635   0.238
  417    HE3  LYS  50           HE3      LYS  50  -3.501   6.294  -0.223
  418    HZ1  LYS  50           HZ1      LYS  50  -3.711   8.326  -1.626
  419    HZ2  LYS  50           HZ2      LYS  50  -4.363   9.136  -0.284
  420    HZ3  LYS  50           HZ3      LYS  50  -5.168   7.794  -0.943
  421    H    GLU  51           H        GLU  51  -4.560   4.981   6.619
  422    HA   GLU  51           HA       GLU  51  -4.494   7.200   8.448
  423    HB2  GLU  51           HB2      GLU  51  -5.786   4.494   8.821
  424    HB3  GLU  51           HB3      GLU  51  -6.162   5.973   9.694
  425    HG2  GLU  51           HG2      GLU  51  -6.992   6.978   7.627
  426    HG3  GLU  51           HG3      GLU  51  -6.620   5.489   6.760
  427    H    HIS  52           H        HIS  52  -3.190   3.958   8.299
  428    HA   HIS  52           HA       HIS  52  -2.411   3.906  11.069
  429    HB2  HIS  52           HB2      HIS  52  -3.150   1.914   9.675
  430    HB3  HIS  52           HB3      HIS  52  -1.570   1.988   8.904
  431    HD1  HIS  52           HD1      HIS  52  -3.308   0.823  11.935
  432    HD2  HIS  52           HD2      HIS  52   0.613   1.292  10.632
  433    HE1  HIS  52           HE1      HIS  52  -1.894  -0.513  13.533
  434    HE2  HIS  52           HE2      HIS  52   0.445  -0.368  12.611
  435    H    LEU  53           H        LEU  53  -0.860   4.627   8.011
  436    HA   LEU  53           HA       LEU  53   1.795   4.472   9.207
  437    HB2  LEU  53           HB2      LEU  53   0.949   5.091   6.376
  438    HB3  LEU  53           HB3      LEU  53   2.604   4.889   6.916
  439    HG   LEU  53           HG       LEU  53   0.474   2.745   6.943
  440   HD11  LEU  53          HD11      LEU  53   1.229   3.329   4.695
  441   HD12  LEU  53          HD12      LEU  53   1.783   1.722   5.169
  442   HD13  LEU  53          HD13      LEU  53   2.904   3.084   5.194
  443   HD21  LEU  53          HD21      LEU  53   2.054   2.468   8.774
  444   HD22  LEU  53          HD22      LEU  53   3.405   2.623   7.650
  445   HD23  LEU  53          HD23      LEU  53   2.317   1.240   7.536
  446    H    GLY  54           H        GLY  54  -0.519   6.733   9.266
  447    HA2  GLY  54           HA2      GLY  54  -0.333   8.898  10.069
  448    HA3  GLY  54           HA3      GLY  54   1.409   8.784   9.878
  449    H    GLY  55           H        GLY  55  -1.064   8.303   7.394
  450    HA2  GLY  55           HA2      GLY  55   0.175  10.330   5.737
  451    HA3  GLY  55           HA3      GLY  55  -1.216   9.336   5.314
  452    H    LEU  56           H        LEU  56  -0.155  12.140   7.121
  453    HA   LEU  56           HA       LEU  56  -2.672  12.967   8.054
  454    HB2  LEU  56           HB2      LEU  56  -0.488  13.724   8.944
  455    HB3  LEU  56           HB3      LEU  56  -0.230  14.649   7.481
  456    HG   LEU  56           HG       LEU  56  -2.680  15.226   9.087
  457   HD11  LEU  56          HD11      LEU  56   0.084  16.205   9.808
  458   HD12  LEU  56          HD12      LEU  56  -0.891  15.085  10.759
  459   HD13  LEU  56          HD13      LEU  56  -1.433  16.746  10.528
  460   HD21  LEU  56          HD21      LEU  56  -0.737  16.948   7.547
  461   HD22  LEU  56          HD22      LEU  56  -2.231  17.498   8.306
  462   HD23  LEU  56          HD23      LEU  56  -2.291  16.364   6.955
  463    H    GLU  57           H        GLU  57  -4.353  13.537   6.909
  464    HA   GLU  57           HA       GLU  57  -4.189  14.398   4.187
  465    HB2  GLU  57           HB2      GLU  57  -6.106  13.107   4.905
  466    HB3  GLU  57           HB3      GLU  57  -6.490  14.286   6.152
  467    HG2  GLU  57           HG2      GLU  57  -8.010  14.503   4.293
  468    HG3  GLU  57           HG3      GLU  57  -7.003  15.940   4.426
  469    H    HIS  58           H        HIS  58  -4.387  16.417   3.352
  470    HA   HIS  58           HA       HIS  58  -3.693  18.589   5.140
  471    HB2  HIS  58           HB2      HIS  58  -4.046  18.519   2.130
  472    HB3  HIS  58           HB3      HIS  58  -3.498  19.923   3.037
  473    HD1  HIS  58           HD1      HIS  58  -1.043  20.175   3.068
  474    HD2  HIS  58           HD2      HIS  58  -2.191  16.196   2.675
  475    HE1  HIS  58           HE1      HIS  58   1.095  18.863   2.844
  476    HE2  HIS  58           HE2      HIS  58   0.369  16.447   2.882
  477    H    HIS  59           H        HIS  59  -6.451  17.373   3.492
  478    HA   HIS  59           HA       HIS  59  -8.636  17.983   3.406
  479    HB2  HIS  59           HB2      HIS  59  -8.243  17.946   5.907
  480    HB3  HIS  59           HB3      HIS  59  -8.027  19.689   5.832
  481    HD1  HIS  59           HD1      HIS  59 -10.077  20.970   6.345
  482    HD2  HIS  59           HD2      HIS  59 -10.955  17.213   4.786
  483    HE1  HIS  59           HE1      HIS  59 -12.585  20.779   6.396
  484    HE2  HIS  59           HE2      HIS  59 -13.101  18.490   5.484
  485    H    HIS  60           H        HIS  60  -7.233  19.245   1.592
  486    HA   HIS  60           HA       HIS  60  -7.315  20.956   0.112
  487    HB2  HIS  60           HB2      HIS  60  -9.679  21.159   0.455
  488    HB3  HIS  60           HB3      HIS  60  -9.446  22.021   1.970
  489    HD1  HIS  60           HD1      HIS  60 -10.572  24.187   1.380
  490    HD2  HIS  60           HD2      HIS  60  -7.727  23.052  -1.434
  491    HE1  HIS  60           HE1      HIS  60 -10.309  26.163  -0.157
  492    HE2  HIS  60           HE2      HIS  60  -8.459  25.515  -1.744
  493    H    HIS  61           H        HIS  61  -5.276  21.647   0.313
  494    HA   HIS  61           HA       HIS  61  -4.233  23.236   2.372
  495    HB2  HIS  61           HB2      HIS  61  -2.405  23.769   0.822
  496    HB3  HIS  61           HB3      HIS  61  -2.800  22.055   0.768
  497    HD1  HIS  61           HD1      HIS  61  -3.710  21.121  -1.451
  498    HD2  HIS  61           HD2      HIS  61  -3.029  25.219  -1.525
  499    HE1  HIS  61           HE1      HIS  61  -3.870  21.789  -3.868
  500    HE2  HIS  61           HE2      HIS  61  -3.729  24.305  -3.840
  501    H    HIS  62           H        HIS  62  -3.706  25.477   2.398
  502    HA   HIS  62           HA       HIS  62  -5.805  27.067   1.087
  503    HB2  HIS  62           HB2      HIS  62  -4.255  27.549   3.639
  504    HB3  HIS  62           HB3      HIS  62  -5.356  28.724   2.925
  505    HD1  HIS  62           HD1      HIS  62  -5.258  25.813   5.138
  506    HD2  HIS  62           HD2      HIS  62  -8.105  27.812   2.856
  507    HE1  HIS  62           HE1      HIS  62  -7.491  25.030   5.993
  508    HE2  HIS  62           HE2      HIS  62  -9.190  26.404   4.729
  509    H    HIS  63           H        HIS  63  -5.208  29.378   0.662
  510    HA   HIS  63           HA       HIS  63  -2.466  29.524  -0.396
  511    HB2  HIS  63           HB2      HIS  63  -5.014  30.868  -1.301
  512    HB3  HIS  63           HB3      HIS  63  -3.424  31.383  -1.850
  513    HD1  HIS  63           HD1      HIS  63  -6.126  29.246  -2.800
  514    HD2  HIS  63           HD2      HIS  63  -1.982  29.078  -3.123
  515    HE1  HIS  63           HE1      HIS  63  -5.650  27.565  -4.610
  516    HE2  HIS  63           HE2      HIS  63  -3.139  27.426  -4.742
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1  10.663 -12.315  -5.653
    2    H2   MET   1           H2       MET   1   9.633 -11.092  -5.078
    3    H3   MET   1           H3       MET   1   9.016 -12.625  -5.444
    4    HA   MET   1           HA       MET   1  10.238 -13.627  -3.673
    5    HB2  MET   1           HB2      MET   1  11.276 -10.820  -3.275
    6    HB3  MET   1           HB3      MET   1  11.371 -12.050  -2.025
    7    HG2  MET   1           HG2      MET   1  13.470 -11.934  -3.156
    8    HG3  MET   1           HG3      MET   1  12.690 -13.460  -3.567
    9    HE1  MET   1           HE1      MET   1  14.316 -13.841  -5.547
   10    HE2  MET   1           HE2      MET   1  15.160 -12.326  -5.223
   11    HE3  MET   1           HE3      MET   1  14.595 -12.690  -6.853
   12    H    GLY   2           H        GLY   2  10.039 -12.167  -1.157
   13    HA2  GLY   2           HA2      GLY   2   7.189 -12.425  -0.844
   14    HA3  GLY   2           HA3      GLY   2   8.356 -12.108   0.430
   15    H    GLU   3           H        GLU   3   7.289 -10.413  -2.510
   16    HA   GLU   3           HA       GLU   3   6.753  -8.038  -0.849
   17    HB2  GLU   3           HB2      GLU   3   8.214  -8.257  -3.217
   18    HB3  GLU   3           HB3      GLU   3   6.656  -7.635  -3.740
   19    HG2  GLU   3           HG2      GLU   3   8.331  -6.400  -1.568
   20    HG3  GLU   3           HG3      GLU   3   8.350  -5.887  -3.253
   21    H    LEU   4           H        LEU   4   4.700  -7.068  -1.028
   22    HA   LEU   4           HA       LEU   4   2.654  -9.015  -1.266
   23    HB2  LEU   4           HB2      LEU   4   2.432  -6.028  -0.957
   24    HB3  LEU   4           HB3      LEU   4   1.110  -7.163  -0.769
   25    HG   LEU   4           HG       LEU   4   3.573  -7.026   0.973
   26   HD11  LEU   4          HD11      LEU   4   2.033  -6.264   2.693
   27   HD12  LEU   4          HD12      LEU   4   0.701  -6.313   1.536
   28   HD13  LEU   4          HD13      LEU   4   2.024  -5.168   1.310
   29   HD21  LEU   4          HD21      LEU   4   2.747  -9.314   0.733
   30   HD22  LEU   4          HD22      LEU   4   1.125  -8.779   1.175
   31   HD23  LEU   4          HD23      LEU   4   2.436  -8.690   2.353
   32    H    SER   5           H        SER   5   0.722  -8.864  -2.553
   33    HA   SER   5           HA       SER   5   1.360  -8.246  -5.312
   34    HB2  SER   5           HB2      SER   5  -1.114  -9.497  -4.093
   35    HB3  SER   5           HB3      SER   5  -0.725  -9.435  -5.815
   36    HG   SER   5           HG       SER   5   1.340 -10.473  -4.452
   37    H    TRP   6           H        TRP   6   0.995  -6.272  -6.067
   38    HA   TRP   6           HA       TRP   6  -1.088  -4.633  -4.808
   39    HB2  TRP   6           HB2      TRP   6   1.345  -3.910  -6.444
   40    HB3  TRP   6           HB3      TRP   6   0.094  -2.741  -6.031
   41    HD1  TRP   6           HD1      TRP   6   2.436  -5.191  -4.113
   42    HE1  TRP   6           HE1      TRP   6   3.162  -4.039  -1.933
   43    HE3  TRP   6           HE3      TRP   6  -0.227  -0.853  -4.573
   44    HZ2  TRP   6           HZ2      TRP   6   2.659  -1.609  -0.582
   45    HZ3  TRP   6           HZ3      TRP   6  -0.050   0.833  -2.793
   46    HH2  TRP   6           HH2      TRP   6   1.366   0.459  -0.837
   47    H    THR   7           H        THR   7  -2.871  -4.049  -5.898
   48    HA   THR   7           HA       THR   7  -3.269  -5.139  -8.547
   49    HB   THR   7           HB       THR   7  -5.595  -4.278  -8.278
   50    HG1  THR   7           HG1      THR   7  -6.152  -3.121  -6.545
   51   HG21  THR   7          HG21      THR   7  -5.011  -6.545  -7.568
   52   HG22  THR   7          HG22      THR   7  -6.237  -5.846  -6.510
   53   HG23  THR   7          HG23      THR   7  -4.559  -5.933  -5.977
   54    H    ALA   8           H        ALA   8  -4.683  -3.609 -10.031
   55    HA   ALA   8           HA       ALA   8  -2.890  -1.631 -10.944
   56    HB1  ALA   8           HB1      ALA   8  -4.392  -2.858 -12.432
   57    HB2  ALA   8           HB2      ALA   8  -4.562  -1.112 -12.617
   58    HB3  ALA   8           HB3      ALA   8  -5.773  -2.026 -11.717
   59    H    GLU   9           H        GLU   9  -5.892  -1.413  -9.059
   60    HA   GLU   9           HA       GLU   9  -6.003   1.433  -9.100
   61    HB2  GLU   9           HB2      GLU   9  -7.018   0.086  -6.666
   62    HB3  GLU   9           HB3      GLU   9  -7.777   1.300  -7.679
   63    HG2  GLU   9           HG2      GLU   9  -9.116  -0.555  -7.957
   64    HG3  GLU   9           HG3      GLU   9  -8.069  -0.596  -9.377
   65    H    ALA  10           H        ALA  10  -4.440  -0.928  -7.026
   66    HA   ALA  10           HA       ALA  10  -3.669   0.811  -4.950
   67    HB1  ALA  10           HB1      ALA  10  -2.057  -0.915  -4.346
   68    HB2  ALA  10           HB2      ALA  10  -2.313  -1.710  -5.899
   69    HB3  ALA  10           HB3      ALA  10  -3.628  -1.620  -4.726
   70    H    GLU  11           H        GLU  11  -1.964  -0.253  -7.874
   71    HA   GLU  11           HA       GLU  11   0.368   1.272  -7.493
   72    HB2  GLU  11           HB2      GLU  11  -0.954   0.255 -10.012
   73    HB3  GLU  11           HB3      GLU  11   0.631   1.018  -9.983
   74    HG2  GLU  11           HG2      GLU  11  -0.009  -1.393  -8.318
   75    HG3  GLU  11           HG3      GLU  11   0.557  -1.519  -9.982
   76    H    LYS  12           H        LYS  12  -2.771   2.064  -8.781
   77    HA   LYS  12           HA       LYS  12  -2.040   4.614  -9.845
   78    HB2  LYS  12           HB2      LYS  12  -4.066   3.169 -10.450
   79    HB3  LYS  12           HB3      LYS  12  -4.792   3.741  -8.958
   80    HG2  LYS  12           HG2      LYS  12  -3.827   5.614 -11.096
   81    HG3  LYS  12           HG3      LYS  12  -5.446   4.919 -11.108
   82    HD2  LYS  12           HD2      LYS  12  -5.802   5.885  -8.840
   83    HD3  LYS  12           HD3      LYS  12  -4.235   6.684  -8.985
   84    HE2  LYS  12           HE2      LYS  12  -5.041   7.833 -11.009
   85    HE3  LYS  12           HE3      LYS  12  -6.618   7.072 -10.787
   86    HZ1  LYS  12           HZ1      LYS  12  -6.722   8.165  -8.584
   87    HZ2  LYS  12           HZ2      LYS  12  -6.700   9.259  -9.875
   88    HZ3  LYS  12           HZ3      LYS  12  -5.297   9.004  -8.963
   89    H    MET  13           H        MET  13  -3.504   3.472  -6.828
   90    HA   MET  13           HA       MET  13  -3.809   5.964  -5.552
   91    HB2  MET  13           HB2      MET  13  -3.256   3.246  -4.334
   92    HB3  MET  13           HB3      MET  13  -3.821   4.655  -3.448
   93    HG2  MET  13           HG2      MET  13  -5.342   3.425  -5.726
   94    HG3  MET  13           HG3      MET  13  -5.559   2.944  -4.046
   95    HE1  MET  13           HE1      MET  13  -5.524   5.370  -2.291
   96    HE2  MET  13           HE2      MET  13  -6.873   4.235  -2.293
   97    HE3  MET  13           HE3      MET  13  -7.179   5.971  -2.372
   98    H    LEU  14           H        LEU  14  -1.169   3.625  -5.570
   99    HA   LEU  14           HA       LEU  14   0.604   5.179  -3.962
  100    HB2  LEU  14           HB2      LEU  14   0.716   2.709  -4.234
  101    HB3  LEU  14           HB3      LEU  14   1.204   2.939  -5.901
  102    HG   LEU  14           HG       LEU  14   3.261   4.066  -5.125
  103   HD11  LEU  14          HD11      LEU  14   2.407   4.921  -3.003
  104   HD12  LEU  14          HD12      LEU  14   3.882   3.983  -2.778
  105   HD13  LEU  14          HD13      LEU  14   2.318   3.276  -2.374
  106   HD21  LEU  14          HD21      LEU  14   3.274   1.681  -5.608
  107   HD22  LEU  14          HD22      LEU  14   2.789   1.328  -3.950
  108   HD23  LEU  14          HD23      LEU  14   4.363   2.054  -4.275
  109    H    GLY  15           H        GLY  15  -0.481   5.441  -7.131
  110    HA2  GLY  15           HA2      GLY  15   1.848   6.489  -8.389
  111    HA3  GLY  15           HA3      GLY  15   0.188   6.675  -8.949
  112    H    LYS  16           H        LYS  16  -0.723   7.870  -6.452
  113    HA   LYS  16           HA       LYS  16  -0.097  10.598  -6.946
  114    HB2  LYS  16           HB2      LYS  16  -1.486   9.240  -4.630
  115    HB3  LYS  16           HB3      LYS  16  -1.311  10.983  -4.760
  116    HG2  LYS  16           HG2      LYS  16  -2.571  10.911  -6.888
  117    HG3  LYS  16           HG3      LYS  16  -2.810   9.179  -6.646
  118    HD2  LYS  16           HD2      LYS  16  -4.028   9.590  -4.599
  119    HD3  LYS  16           HD3      LYS  16  -3.697  11.319  -4.713
  120    HE2  LYS  16           HE2      LYS  16  -4.980  11.413  -6.803
  121    HE3  LYS  16           HE3      LYS  16  -5.332   9.691  -6.654
  122    HZ1  LYS  16           HZ1      LYS  16  -7.162  11.072  -5.853
  123    HZ2  LYS  16           HZ2      LYS  16  -6.144  11.786  -4.705
  124    HZ3  LYS  16           HZ3      LYS  16  -6.514  10.131  -4.601
  125    H    VAL  17           H        VAL  17   1.407   8.134  -5.172
  126    HA   VAL  17           HA       VAL  17   2.823   9.963  -3.397
  127    HB   VAL  17           HB       VAL  17   2.909   6.943  -3.562
  128   HG11  VAL  17          HG11      VAL  17   4.968   7.873  -2.653
  129   HG12  VAL  17          HG12      VAL  17   4.041   7.048  -1.400
  130   HG13  VAL  17          HG13      VAL  17   4.040   8.810  -1.482
  131   HG21  VAL  17          HG21      VAL  17   0.728   7.732  -2.849
  132   HG22  VAL  17          HG22      VAL  17   1.474   8.759  -1.625
  133   HG23  VAL  17          HG23      VAL  17   1.587   7.004  -1.492
  134    HA   PRO  18           HA       PRO  18   6.113  10.259  -6.434
  135    HB2  PRO  18           HB2      PRO  18   7.560  11.271  -4.045
  136    HB3  PRO  18           HB3      PRO  18   7.366  12.005  -5.640
  137    HG2  PRO  18           HG2      PRO  18   6.014  12.933  -3.540
  138    HG3  PRO  18           HG3      PRO  18   5.267  12.849  -5.145
  139    HD2  PRO  18           HD2      PRO  18   4.891  11.058  -2.782
  140    HD3  PRO  18           HD3      PRO  18   3.700  11.626  -3.969
  141    H    PHE  19           H        PHE  19   7.847   9.001  -6.932
  142    HA   PHE  19           HA       PHE  19   8.085   6.538  -5.664
  143    HB2  PHE  19           HB2      PHE  19  10.045   6.171  -7.154
  144    HB3  PHE  19           HB3      PHE  19   8.602   6.730  -7.987
  145    HD1  PHE  19           HD2      PHE  19   8.488   9.011  -8.879
  146    HD2  PHE  19           HD1      PHE  19  12.030   7.494  -7.074
  147    HE1  PHE  19           HE2      PHE  19   9.783  10.831  -9.904
  148    HE2  PHE  19           HE1      PHE  19  13.334   9.312  -8.098
  149    HZ   PHE  19           HZ       PHE  19  12.208  10.985  -9.516
  150    H    PHE  20           H        PHE  20   9.700   9.498  -4.962
  151    HA   PHE  20           HA       PHE  20  12.057   8.630  -3.761
  152    HB2  PHE  20           HB2      PHE  20  10.307  10.896  -2.780
  153    HB3  PHE  20           HB3      PHE  20  12.038  10.715  -2.522
  154    HD1  PHE  20           HD2      PHE  20  13.524  10.692  -4.632
  155    HD2  PHE  20           HD1      PHE  20   9.521  12.127  -4.554
  156    HE1  PHE  20           HE2      PHE  20  13.957  11.996  -6.671
  157    HE2  PHE  20           HE1      PHE  20   9.946  13.432  -6.598
  158    HZ   PHE  20           HZ       PHE  20  12.166  13.369  -7.655
  159    H    VAL  21           H        VAL  21   8.798   8.931  -2.419
  160    HA   VAL  21           HA       VAL  21   9.737   7.593   0.024
  161    HB   VAL  21           HB       VAL  21   7.711   8.462   1.118
  162   HG11  VAL  21          HG11      VAL  21   9.328  10.596  -0.273
  163   HG12  VAL  21          HG12      VAL  21   9.785   9.750   1.207
  164   HG13  VAL  21          HG13      VAL  21   8.375  10.810   1.197
  165   HG21  VAL  21          HG21      VAL  21   6.321  10.138  -0.001
  166   HG22  VAL  21          HG22      VAL  21   6.244   8.584  -0.831
  167   HG23  VAL  21          HG23      VAL  21   7.223   9.892  -1.497
  168    H    ARG  22           H        ARG  22   8.236   6.961  -2.830
  169    HA   ARG  22           HA       ARG  22   6.046   5.362  -2.174
  170    HB2  ARG  22           HB2      ARG  22   6.363   6.032  -4.444
  171    HB3  ARG  22           HB3      ARG  22   7.951   5.285  -4.514
  172    HG2  ARG  22           HG2      ARG  22   6.929   3.083  -4.357
  173    HG3  ARG  22           HG3      ARG  22   5.332   3.827  -4.266
  174    HD2  ARG  22           HD2      ARG  22   7.229   4.229  -6.573
  175    HD3  ARG  22           HD3      ARG  22   6.005   2.961  -6.531
  176    HE   ARG  22           HE       ARG  22   4.931   5.585  -6.061
  177   HH11  ARG  22          HH11      ARG  22   5.943   3.331  -8.545
  178   HH12  ARG  22          HH12      ARG  22   4.824   3.934  -9.731
  179   HH21  ARG  22          HH21      ARG  22   3.477   6.400  -7.622
  180   HH22  ARG  22          HH22      ARG  22   3.414   5.677  -9.203
  181    H    LYS  23           H        LYS  23   9.480   4.583  -2.398
  182    HA   LYS  23           HA       LYS  23   9.315   1.814  -2.026
  183    HB2  LYS  23           HB2      LYS  23  11.450   3.803  -1.262
  184    HB3  LYS  23           HB3      LYS  23  11.638   2.075  -1.021
  185    HG2  LYS  23           HG2      LYS  23  11.200   3.438  -3.671
  186    HG3  LYS  23           HG3      LYS  23  12.737   2.822  -3.059
  187    HD2  LYS  23           HD2      LYS  23  11.513   0.569  -2.859
  188    HD3  LYS  23           HD3      LYS  23  10.303   1.292  -3.918
  189    HE2  LYS  23           HE2      LYS  23  13.243   1.018  -4.533
  190    HE3  LYS  23           HE3      LYS  23  11.968  -0.020  -5.162
  191    HZ1  LYS  23           HZ1      LYS  23  12.145   2.909  -5.650
  192    HZ2  LYS  23           HZ2      LYS  23  11.040   1.831  -6.350
  193    HZ3  LYS  23           HZ3      LYS  23  12.685   1.719  -6.728
  194    H    LYS  24           H        LYS  24   9.385   4.471   0.281
  195    HA   LYS  24           HA       LYS  24   9.567   2.864   2.611
  196    HB2  LYS  24           HB2      LYS  24   8.449   5.659   2.325
  197    HB3  LYS  24           HB3      LYS  24   8.944   4.892   3.827
  198    HG2  LYS  24           HG2      LYS  24  11.256   4.786   2.974
  199    HG3  LYS  24           HG3      LYS  24  10.729   5.641   1.522
  200    HD2  LYS  24           HD2      LYS  24  11.725   7.197   3.095
  201    HD3  LYS  24           HD3      LYS  24  10.001   7.525   2.917
  202    HE2  LYS  24           HE2      LYS  24   9.571   6.257   4.982
  203    HE3  LYS  24           HE3      LYS  24  11.305   6.003   5.169
  204    HZ1  LYS  24           HZ1      LYS  24  10.539   7.834   6.527
  205    HZ2  LYS  24           HZ2      LYS  24   9.927   8.636   5.162
  206    HZ3  LYS  24           HZ3      LYS  24  11.599   8.399   5.330
  207    H    VAL  25           H        VAL  25   6.861   4.340   0.872
  208    HA   VAL  25           HA       VAL  25   4.821   3.716   2.666
  209    HB   VAL  25           HB       VAL  25   4.644   3.911  -0.347
  210   HG11  VAL  25          HG11      VAL  25   2.704   2.766   0.587
  211   HG12  VAL  25          HG12      VAL  25   2.264   4.375   0.016
  212   HG13  VAL  25          HG13      VAL  25   2.473   4.078   1.743
  213   HG21  VAL  25          HG21      VAL  25   3.934   6.213   0.064
  214   HG22  VAL  25          HG22      VAL  25   5.550   5.925   0.709
  215   HG23  VAL  25          HG23      VAL  25   4.162   5.979   1.797
  216    H    ARG  26           H        ARG  26   6.067   1.822  -0.085
  217    HA   ARG  26           HA       ARG  26   4.252  -0.299   0.150
  218    HB2  ARG  26           HB2      ARG  26   6.963  -0.045  -1.074
  219    HB3  ARG  26           HB3      ARG  26   6.251  -1.643  -0.896
  220    HG2  ARG  26           HG2      ARG  26   4.188  -0.562  -2.045
  221    HG3  ARG  26           HG3      ARG  26   5.357   0.651  -2.575
  222    HD2  ARG  26           HD2      ARG  26   6.696  -1.021  -3.651
  223    HD3  ARG  26           HD3      ARG  26   5.701  -2.312  -2.981
  224    HE   ARG  26           HE       ARG  26   4.340  -0.401  -4.690
  225   HH11  ARG  26          HH11      ARG  26   5.791  -3.569  -4.325
  226   HH12  ARG  26          HH12      ARG  26   5.132  -4.166  -5.818
  227   HH21  ARG  26          HH21      ARG  26   3.436  -1.214  -6.647
  228   HH22  ARG  26          HH22      ARG  26   3.823  -2.841  -7.136
  229    H    LYS  27           H        LYS  27   7.438   0.165   1.643
  230    HA   LYS  27           HA       LYS  27   7.503  -2.375   2.889
  231    HB2  LYS  27           HB2      LYS  27   9.492  -0.923   2.533
  232    HB3  LYS  27           HB3      LYS  27   8.890   0.161   3.781
  233    HG2  LYS  27           HG2      LYS  27   9.150  -1.516   5.459
  234    HG3  LYS  27           HG3      LYS  27   9.516  -2.744   4.246
  235    HD2  LYS  27           HD2      LYS  27  11.547  -1.481   3.628
  236    HD3  LYS  27           HD3      LYS  27  11.192  -0.325   4.913
  237    HE2  LYS  27           HE2      LYS  27  11.399  -2.061   6.582
  238    HE3  LYS  27           HE3      LYS  27  11.629  -3.278   5.327
  239    HZ1  LYS  27           HZ1      LYS  27  13.724  -2.623   6.332
  240    HZ2  LYS  27           HZ2      LYS  27  13.463  -1.004   5.879
  241    HZ3  LYS  27           HZ3      LYS  27  13.687  -2.193   4.691
  242    H    ASN  28           H        ASN  28   6.234   0.747   3.867
  243    HA   ASN  28           HA       ASN  28   5.601  -0.010   6.533
  244    HB2  ASN  28           HB2      ASN  28   4.821   2.257   4.748
  245    HB3  ASN  28           HB3      ASN  28   3.894   1.977   6.216
  246   HD21  ASN  28          HD21      ASN  28   6.988   2.877   4.905
  247   HD22  ASN  28          HD22      ASN  28   7.657   3.486   6.381
  248    H    THR  29           H        THR  29   3.735   0.031   3.503
  249    HA   THR  29           HA       THR  29   1.332  -0.896   4.697
  250    HB   THR  29           HB       THR  29   0.715  -1.581   2.354
  251    HG1  THR  29           HG1      THR  29   2.977  -1.785   1.661
  252   HG21  THR  29          HG21      THR  29   0.499   0.740   1.549
  253   HG22  THR  29          HG22      THR  29   1.625   1.257   2.805
  254   HG23  THR  29          HG23      THR  29   0.060   0.577   3.249
  255    H    ASP  30           H        ASP  30   4.119  -2.479   3.261
  256    HA   ASP  30           HA       ASP  30   3.216  -5.091   3.101
  257    HB2  ASP  30           HB2      ASP  30   5.415  -4.482   2.286
  258    HB3  ASP  30           HB3      ASP  30   5.946  -4.067   3.913
  259    H    ASN  31           H        ASN  31   4.704  -3.442   5.846
  260    HA   ASN  31           HA       ASN  31   4.437  -5.601   7.646
  261    HB2  ASN  31           HB2      ASN  31   4.925  -2.659   8.001
  262    HB3  ASN  31           HB3      ASN  31   4.684  -3.704   9.395
  263   HD21  ASN  31          HD21      ASN  31   6.775  -2.919   6.722
  264   HD22  ASN  31          HD22      ASN  31   8.148  -3.806   7.285
  265    H    TYR  32           H        TYR  32   2.253  -3.028   6.683
  266    HA   TYR  32           HA       TYR  32   0.470  -3.404   8.898
  267    HB2  TYR  32           HB2      TYR  32   0.552  -1.272   7.671
  268    HB3  TYR  32           HB3      TYR  32  -0.030  -2.084   6.221
  269    HD1  TYR  32           HD1      TYR  32  -0.972  -1.301   9.733
  270    HD2  TYR  32           HD2      TYR  32  -2.329  -2.282   5.820
  271    HE1  TYR  32           HE1      TYR  32  -3.291  -0.890  10.440
  272    HE2  TYR  32           HE2      TYR  32  -4.651  -1.875   6.518
  273    HH   TYR  32           HH       TYR  32  -5.969  -1.856   8.619
  274    H    ALA  33           H        ALA  33   0.350  -4.311   5.465
  275    HA   ALA  33           HA       ALA  33  -2.117  -5.688   5.660
  276    HB1  ALA  33           HB1      ALA  33   0.046  -5.912   3.577
  277    HB2  ALA  33           HB2      ALA  33  -1.304  -4.775   3.560
  278    HB3  ALA  33           HB3      ALA  33  -1.606  -6.509   3.419
  279    H    ARG  34           H        ARG  34   1.258  -6.788   5.759
  280    HA   ARG  34           HA       ARG  34   0.704  -9.550   5.898
  281    HB2  ARG  34           HB2      ARG  34   3.019  -7.806   6.482
  282    HB3  ARG  34           HB3      ARG  34   3.004  -9.355   7.315
  283    HG2  ARG  34           HG2      ARG  34   2.882 -10.531   5.226
  284    HG3  ARG  34           HG3      ARG  34   2.735  -9.012   4.340
  285    HD2  ARG  34           HD2      ARG  34   4.945  -8.404   4.773
  286    HD3  ARG  34           HD3      ARG  34   5.092  -9.544   6.110
  287    HE   ARG  34           HE       ARG  34   4.728 -11.204   4.062
  288   HH11  ARG  34          HH11      ARG  34   6.746  -8.350   4.241
  289   HH12  ARG  34          HH12      ARG  34   7.996  -9.030   3.250
  290   HH21  ARG  34          HH21      ARG  34   6.359 -12.094   2.751
  291   HH22  ARG  34          HH22      ARG  34   7.793 -11.162   2.415
  292    H    GLU  35           H        GLU  35   0.580  -7.024   8.264
  293    HA   GLU  35           HA       GLU  35   0.583  -8.731  10.547
  294    HB2  GLU  35           HB2      GLU  35   1.252  -6.355  10.652
  295    HB3  GLU  35           HB3      GLU  35  -0.391  -5.881  10.255
  296    HG2  GLU  35           HG2      GLU  35   0.020  -5.625  12.617
  297    HG3  GLU  35           HG3      GLU  35  -1.184  -6.882  12.339
  298    H    ILE  36           H        ILE  36  -1.934  -7.060   8.678
  299    HA   ILE  36           HA       ILE  36  -4.022  -8.088  10.383
  300    HB   ILE  36           HB       ILE  36  -5.566  -6.937   8.831
  301   HG12  ILE  36          HG12      ILE  36  -3.012  -6.150   7.409
  302   HG13  ILE  36          HG13      ILE  36  -4.293  -7.167   6.756
  303   HG21  ILE  36          HG21      ILE  36  -4.822  -4.657   9.403
  304   HG22  ILE  36          HG22      ILE  36  -3.243  -5.302   9.848
  305   HG23  ILE  36          HG23      ILE  36  -4.675  -5.774  10.761
  306   HD11  ILE  36          HD11      ILE  36  -4.548  -4.262   7.492
  307   HD12  ILE  36          HD12      ILE  36  -5.832  -5.279   6.838
  308   HD13  ILE  36          HD13      ILE  36  -4.409  -4.919   5.861
  309    H    GLY  37           H        GLY  37  -2.458  -9.097   7.489
  310    HA2  GLY  37           HA2      GLY  37  -2.610 -11.402   6.865
  311    HA3  GLY  37           HA3      GLY  37  -4.264 -11.419   7.451
  312    H    GLU  38           H        GLU  38  -2.758  -9.064   5.270
  313    HA   GLU  38           HA       GLU  38  -4.456 -10.121   3.104
  314    HB2  GLU  38           HB2      GLU  38  -3.834  -7.201   3.625
  315    HB3  GLU  38           HB3      GLU  38  -4.744  -7.827   2.258
  316    HG2  GLU  38           HG2      GLU  38  -6.382  -8.759   3.925
  317    HG3  GLU  38           HG3      GLU  38  -5.529  -7.831   5.155
  318    HA   PRO  39           HA       PRO  39  -0.299 -10.243   1.335
  319    HB2  PRO  39           HB2      PRO  39  -0.791 -12.185  -0.455
  320    HB3  PRO  39           HB3      PRO  39  -0.583 -12.542   1.264
  321    HG2  PRO  39           HG2      PRO  39  -3.097 -12.342  -0.339
  322    HG3  PRO  39           HG3      PRO  39  -2.672 -13.487   0.942
  323    HD2  PRO  39           HD2      PRO  39  -4.254 -11.252   1.296
  324    HD3  PRO  39           HD3      PRO  39  -3.362 -12.074   2.590
  325    H    VAL  40           H        VAL  40  -3.258  -9.265   0.134
  326    HA   VAL  40           HA       VAL  40  -2.066  -8.313  -2.381
  327    HB   VAL  40           HB       VAL  40  -4.968  -9.053  -1.928
  328   HG11  VAL  40          HG11      VAL  40  -5.207  -8.687  -4.344
  329   HG12  VAL  40          HG12      VAL  40  -3.525  -8.166  -4.430
  330   HG13  VAL  40          HG13      VAL  40  -4.696  -7.216  -3.517
  331   HG21  VAL  40          HG21      VAL  40  -2.827 -10.456  -3.529
  332   HG22  VAL  40          HG22      VAL  40  -4.530 -10.911  -3.470
  333   HG23  VAL  40          HG23      VAL  40  -3.534 -11.027  -2.019
  334    H    VAL  41           H        VAL  41  -1.917  -6.186  -2.473
  335    HA   VAL  41           HA       VAL  41  -3.543  -4.571  -0.644
  336    HB   VAL  41           HB       VAL  41  -1.115  -3.756  -2.257
  337   HG11  VAL  41          HG11      VAL  41  -1.136  -1.729  -0.894
  338   HG12  VAL  41          HG12      VAL  41  -2.611  -2.271  -0.094
  339   HG13  VAL  41          HG13      VAL  41  -2.632  -1.885  -1.816
  340   HG21  VAL  41          HG21      VAL  41  -0.527  -5.347  -0.518
  341   HG22  VAL  41          HG22      VAL  41  -1.393  -4.383   0.680
  342   HG23  VAL  41          HG23      VAL  41   0.052  -3.735  -0.096
  343    H    THR  42           H        THR  42  -5.386  -3.929  -1.503
  344    HA   THR  42           HA       THR  42  -5.481  -3.121  -4.321
  345    HB   THR  42           HB       THR  42  -7.945  -3.099  -3.998
  346    HG1  THR  42           HG1      THR  42  -8.568  -4.264  -1.928
  347   HG21  THR  42          HG21      THR  42  -6.577  -5.669  -3.185
  348   HG22  THR  42          HG22      THR  42  -6.902  -5.130  -4.833
  349   HG23  THR  42          HG23      THR  42  -8.240  -5.540  -3.759
  350    H    ALA  43           H        ALA  43  -7.343  -1.227  -4.453
  351    HA   ALA  43           HA       ALA  43  -6.292   1.127  -3.359
  352    HB1  ALA  43           HB1      ALA  43  -7.776   1.127  -5.296
  353    HB2  ALA  43           HB2      ALA  43  -8.409   2.178  -4.030
  354    HB3  ALA  43           HB3      ALA  43  -9.115   0.581  -4.288
  355    H    ASP  44           H        ASP  44  -8.628  -1.172  -2.165
  356    HA   ASP  44           HA       ASP  44  -9.634   0.321   0.008
  357    HB2  ASP  44           HB2      ASP  44 -10.834  -1.627  -0.746
  358    HB3  ASP  44           HB3      ASP  44  -9.439  -2.661  -0.459
  359    H    VAL  45           H        VAL  45  -7.112  -2.182  -0.138
  360    HA   VAL  45           HA       VAL  45  -6.425  -2.099   2.581
  361    HB   VAL  45           HB       VAL  45  -4.614  -2.836   0.273
  362   HG11  VAL  45          HG11      VAL  45  -3.451  -2.551   2.407
  363   HG12  VAL  45          HG12      VAL  45  -3.461  -4.238   1.891
  364   HG13  VAL  45          HG13      VAL  45  -4.558  -3.697   3.162
  365   HG21  VAL  45          HG21      VAL  45  -6.720  -4.063   0.150
  366   HG22  VAL  45          HG22      VAL  45  -6.536  -4.569   1.828
  367   HG23  VAL  45          HG23      VAL  45  -5.394  -5.132   0.608
  368    H    PHE  46           H        PHE  46  -5.311  -0.229  -0.179
  369    HA   PHE  46           HA       PHE  46  -3.091   1.007   1.012
  370    HB2  PHE  46           HB2      PHE  46  -3.712   1.040  -1.437
  371    HB3  PHE  46           HB3      PHE  46  -4.918   2.258  -1.043
  372    HD1  PHE  46           HD1      PHE  46  -1.295   1.543  -1.058
  373    HD2  PHE  46           HD2      PHE  46  -4.321   4.525  -0.787
  374    HE1  PHE  46           HE1      PHE  46   0.414   3.295  -1.321
  375    HE2  PHE  46           HE2      PHE  46  -2.618   6.280  -1.047
  376    HZ   PHE  46           HZ       PHE  46  -0.248   5.666  -1.316
  377    H    ARG  47           H        ARG  47  -6.503   1.971   0.891
  378    HA   ARG  47           HA       ARG  47  -6.211   4.424   2.260
  379    HB2  ARG  47           HB2      ARG  47  -8.585   2.568   2.025
  380    HB3  ARG  47           HB3      ARG  47  -8.660   4.189   2.706
  381    HG2  ARG  47           HG2      ARG  47  -7.997   5.150   0.595
  382    HG3  ARG  47           HG3      ARG  47  -7.795   3.542  -0.102
  383    HD2  ARG  47           HD2      ARG  47 -10.175   3.101   0.216
  384    HD3  ARG  47           HD3      ARG  47 -10.379   4.701   0.931
  385    HE   ARG  47           HE       ARG  47  -9.677   5.611  -1.262
  386   HH11  ARG  47          HH11      ARG  47 -11.046   2.388  -1.047
  387   HH12  ARG  47          HH12      ARG  47 -11.513   2.339  -2.718
  388   HH21  ARG  47          HH21      ARG  47 -10.292   5.551  -3.459
  389   HH22  ARG  47          HH22      ARG  47 -11.102   4.147  -4.091
  390    H    LYS  48           H        LYS  48  -6.968   1.162   3.375
  391    HA   LYS  48           HA       LYS  48  -7.385   1.706   6.089
  392    HB2  LYS  48           HB2      LYS  48  -6.179  -0.762   4.818
  393    HB3  LYS  48           HB3      LYS  48  -6.839  -0.673   6.446
  394    HG2  LYS  48           HG2      LYS  48  -9.037  -0.431   5.657
  395    HG3  LYS  48           HG3      LYS  48  -8.493  -0.065   4.018
  396    HD2  LYS  48           HD2      LYS  48  -9.342  -2.316   4.087
  397    HD3  LYS  48           HD3      LYS  48  -7.597  -2.364   3.844
  398    HE2  LYS  48           HE2      LYS  48  -7.299  -2.826   6.241
  399    HE3  LYS  48           HE3      LYS  48  -9.049  -2.813   6.451
  400    HZ1  LYS  48           HZ1      LYS  48  -8.342  -5.067   6.241
  401    HZ2  LYS  48           HZ2      LYS  48  -7.448  -4.732   4.840
  402    HZ3  LYS  48           HZ3      LYS  48  -9.144  -4.654   4.805
  403    H    ALA  49           H        ALA  49  -4.441   0.972   4.288
  404    HA   ALA  49           HA       ALA  49  -2.719   0.829   6.528
  405    HB1  ALA  49           HB1      ALA  49  -0.920   0.845   4.917
  406    HB2  ALA  49           HB2      ALA  49  -2.010   1.430   3.661
  407    HB3  ALA  49           HB3      ALA  49  -2.230  -0.184   4.336
  408    H    LYS  50           H        LYS  50  -3.360   3.439   4.178
  409    HA   LYS  50           HA       LYS  50  -1.442   5.238   5.058
  410    HB2  LYS  50           HB2      LYS  50  -4.139   5.742   3.814
  411    HB3  LYS  50           HB3      LYS  50  -2.966   7.017   4.110
  412    HG2  LYS  50           HG2      LYS  50  -2.416   4.583   2.424
  413    HG3  LYS  50           HG3      LYS  50  -2.974   6.131   1.786
  414    HD2  LYS  50           HD2      LYS  50  -0.583   6.173   3.537
  415    HD3  LYS  50           HD3      LYS  50  -0.387   5.470   1.932
  416    HE2  LYS  50           HE2      LYS  50   0.175   7.824   1.870
  417    HE3  LYS  50           HE3      LYS  50  -1.289   7.535   0.938
  418    HZ1  LYS  50           HZ1      LYS  50  -1.295   8.521   3.739
  419    HZ2  LYS  50           HZ2      LYS  50  -2.609   8.447   2.671
  420    HZ3  LYS  50           HZ3      LYS  50  -1.342   9.536   2.385
  421    H    GLU  51           H        GLU  51  -4.622   4.597   6.410
  422    HA   GLU  51           HA       GLU  51  -4.775   6.858   8.092
  423    HB2  GLU  51           HB2      GLU  51  -6.743   5.526   7.647
  424    HB3  GLU  51           HB3      GLU  51  -5.992   4.108   8.369
  425    HG2  GLU  51           HG2      GLU  51  -5.929   5.305  10.534
  426    HG3  GLU  51           HG3      GLU  51  -6.815   6.631   9.785
  427    H    HIS  52           H        HIS  52  -3.670   3.536   8.731
  428    HA   HIS  52           HA       HIS  52  -2.942   4.106  11.430
  429    HB2  HIS  52           HB2      HIS  52  -3.605   1.856  10.786
  430    HB3  HIS  52           HB3      HIS  52  -2.277   1.758   9.639
  431    HD1  HIS  52           HD1      HIS  52  -2.882   1.952  13.381
  432    HD2  HIS  52           HD2      HIS  52   0.049   0.777  10.669
  433    HE1  HIS  52           HE1      HIS  52  -1.106   0.802  14.746
  434    HE2  HIS  52           HE2      HIS  52   0.521  -0.113  13.052
  435    H    LEU  53           H        LEU  53  -1.192   3.893   8.379
  436    HA   LEU  53           HA       LEU  53   1.407   4.065   9.491
  437    HB2  LEU  53           HB2      LEU  53   0.457   4.869   6.740
  438    HB3  LEU  53           HB3      LEU  53   2.129   4.640   7.218
  439    HG   LEU  53           HG       LEU  53   0.012   2.490   7.125
  440   HD11  LEU  53          HD11      LEU  53   0.708   3.209   4.912
  441   HD12  LEU  53          HD12      LEU  53   1.344   1.603   5.269
  442   HD13  LEU  53          HD13      LEU  53   2.402   3.011   5.362
  443   HD21  LEU  53          HD21      LEU  53   2.952   2.303   7.768
  444   HD22  LEU  53          HD22      LEU  53   1.839   0.944   7.615
  445   HD23  LEU  53          HD23      LEU  53   1.631   2.113   8.919
  446    H    GLY  54           H        GLY  54  -0.973   6.453   8.555
  447    HA2  GLY  54           HA2      GLY  54   0.905   8.589   9.343
  448    HA3  GLY  54           HA3      GLY  54  -0.503   8.816   8.313
  449    H    GLY  55           H        GLY  55  -0.433   6.925  11.270
  450    HA2  GLY  55           HA2      GLY  55  -2.644   8.535  12.274
  451    HA3  GLY  55           HA3      GLY  55  -2.119   6.981  12.902
  452    H    LEU  56           H        LEU  56   0.585   8.815  12.493
  453    HA   LEU  56           HA       LEU  56   1.237   9.015  15.181
  454    HB2  LEU  56           HB2      LEU  56   2.230  10.683  12.867
  455    HB3  LEU  56           HB3      LEU  56   2.933  10.727  14.470
  456    HG   LEU  56           HG       LEU  56   3.371   8.218  14.165
  457   HD11  LEU  56          HD11      LEU  56   1.897   7.884  12.245
  458   HD12  LEU  56          HD12      LEU  56   3.564   7.448  11.866
  459   HD13  LEU  56          HD13      LEU  56   2.896   8.977  11.290
  460   HD21  LEU  56          HD21      LEU  56   5.431   8.661  12.900
  461   HD22  LEU  56          HD22      LEU  56   5.131   9.887  14.132
  462   HD23  LEU  56          HD23      LEU  56   4.792  10.239  12.438
  463    H    GLU  57           H        GLU  57   0.604  11.849  13.130
  464    HA   GLU  57           HA       GLU  57  -0.483  13.216  15.470
  465    HB2  GLU  57           HB2      GLU  57   1.205  14.272  13.814
  466    HB3  GLU  57           HB3      GLU  57  -0.167  14.421  12.727
  467    HG2  GLU  57           HG2      GLU  57   0.040  15.632  15.474
  468    HG3  GLU  57           HG3      GLU  57   0.272  16.486  13.951
  469    H    HIS  58           H        HIS  58  -2.346  12.032  15.656
  470    HA   HIS  58           HA       HIS  58  -4.614  13.143  14.458
  471    HB2  HIS  58           HB2      HIS  58  -3.589  11.450  12.650
  472    HB3  HIS  58           HB3      HIS  58  -4.469  10.278  13.626
  473    HD1  HIS  58           HD1      HIS  58  -5.289  13.686  12.113
  474    HD2  HIS  58           HD2      HIS  58  -6.949   9.904  12.633
  475    HE1  HIS  58           HE1      HIS  58  -7.533  13.771  10.988
  476    HE2  HIS  58           HE2      HIS  58  -8.421  11.412  11.126
  477    H    HIS  59           H        HIS  59  -3.270  10.152  15.796
  478    HA   HIS  59           HA       HIS  59  -3.538   9.149  17.815
  479    HB2  HIS  59           HB2      HIS  59  -5.100  11.592  18.663
  480    HB3  HIS  59           HB3      HIS  59  -4.291  10.432  19.707
  481    HD1  HIS  59           HD1      HIS  59  -1.497  10.358  19.048
  482    HD2  HIS  59           HD2      HIS  59  -3.674  13.855  18.449
  483    HE1  HIS  59           HE1      HIS  59   0.197  12.216  18.973
  484    HE2  HIS  59           HE2      HIS  59  -1.153  14.333  18.765
  485    H    HIS  60           H        HIS  60  -5.790   9.156  15.673
  486    HA   HIS  60           HA       HIS  60  -8.097   8.715  17.416
  487    HB2  HIS  60           HB2      HIS  60  -8.281  10.273  15.447
  488    HB3  HIS  60           HB3      HIS  60  -8.081   8.871  14.400
  489    HD1  HIS  60           HD1      HIS  60 -10.606  10.838  16.085
  490    HD2  HIS  60           HD2      HIS  60 -10.263   6.898  14.789
  491    HE1  HIS  60           HE1      HIS  60 -12.951   9.921  16.045
  492    HE2  HIS  60           HE2      HIS  60 -12.698   7.494  15.436
  493    H    HIS  61           H        HIS  61  -8.433   6.745  18.083
  494    HA   HIS  61           HA       HIS  61  -7.669   4.399  16.594
  495    HB2  HIS  61           HB2      HIS  61  -7.684   4.253  19.001
  496    HB3  HIS  61           HB3      HIS  61  -9.340   4.840  19.085
  497    HD1  HIS  61           HD1      HIS  61  -7.315   1.754  18.540
  498    HD2  HIS  61           HD2      HIS  61 -11.316   2.907  18.520
  499    HE1  HIS  61           HE1      HIS  61  -8.641  -0.382  18.574
  500    HE2  HIS  61           HE2      HIS  61 -11.058   0.341  18.717
  501    H    HIS  62           H        HIS  62  -8.729   3.983  14.729
  502    HA   HIS  62           HA       HIS  62 -11.224   5.120  14.100
  503    HB2  HIS  62           HB2      HIS  62 -11.039   4.144  12.001
  504    HB3  HIS  62           HB3      HIS  62  -9.360   4.269  12.503
  505    HD1  HIS  62           HD1      HIS  62  -8.049   2.087  12.765
  506    HD2  HIS  62           HD2      HIS  62 -12.070   1.513  11.880
  507    HE1  HIS  62           HE1      HIS  62  -8.284  -0.357  12.238
  508    HE2  HIS  62           HE2      HIS  62 -10.663  -0.608  11.453
  509    H    HIS  63           H        HIS  63 -13.255   4.262  13.874
  510    HA   HIS  63           HA       HIS  63 -13.734   1.749  15.340
  511    HB2  HIS  63           HB2      HIS  63 -14.694   3.920  16.277
  512    HB3  HIS  63           HB3      HIS  63 -15.749   3.954  14.868
  513    HD1  HIS  63           HD1      HIS  63 -17.707   2.246  14.808
  514    HD2  HIS  63           HD2      HIS  63 -15.314   2.008  18.206
  515    HE1  HIS  63           HE1      HIS  63 -18.987   0.827  16.444
  516    HE2  HIS  63           HE2      HIS  63 -17.559   0.759  18.524
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1   2.865 -16.243   3.685
    2    H2   MET   1           H2       MET   1   4.244 -17.151   3.282
    3    H3   MET   1           H3       MET   1   3.072 -16.819   2.104
    4    HA   MET   1           HA       MET   1   3.546 -14.491   2.201
    5    HB2  MET   1           HB2      MET   1   4.214 -14.351   4.538
    6    HB3  MET   1           HB3      MET   1   5.648 -15.316   4.212
    7    HG2  MET   1           HG2      MET   1   6.160 -12.929   4.401
    8    HG3  MET   1           HG3      MET   1   6.550 -13.576   2.808
    9    HE1  MET   1           HE1      MET   1   6.736 -11.139   1.802
   10    HE2  MET   1           HE2      MET   1   6.367 -10.458   3.388
   11    HE3  MET   1           HE3      MET   1   5.477  -9.915   1.966
   12    H    GLY   2           H        GLY   2   4.242 -14.326   0.224
   13    HA2  GLY   2           HA2      GLY   2   6.988 -14.935  -0.434
   14    HA3  GLY   2           HA3      GLY   2   5.806 -15.920  -1.294
   15    H    GLU   3           H        GLU   3   6.542 -12.561  -0.472
   16    HA   GLU   3           HA       GLU   3   6.215 -10.584  -1.528
   17    HB2  GLU   3           HB2      GLU   3   7.316 -11.745  -3.472
   18    HB3  GLU   3           HB3      GLU   3   5.712 -12.161  -4.062
   19    HG2  GLU   3           HG2      GLU   3   5.192  -9.721  -4.114
   20    HG3  GLU   3           HG3      GLU   3   6.883  -9.416  -3.729
   21    H    LEU   4           H        LEU   4   4.482  -9.228  -1.645
   22    HA   LEU   4           HA       LEU   4   1.877 -10.494  -1.432
   23    HB2  LEU   4           HB2      LEU   4   2.629  -7.586  -1.171
   24    HB3  LEU   4           HB3      LEU   4   1.069  -8.285  -0.789
   25    HG   LEU   4           HG       LEU   4   3.652  -8.891   0.650
   26   HD11  LEU   4          HD11      LEU   4   2.614  -7.681   2.502
   27   HD12  LEU   4          HD12      LEU   4   1.240  -7.286   1.469
   28   HD13  LEU   4          HD13      LEU   4   2.840  -6.647   1.091
   29   HD21  LEU   4          HD21      LEU   4   0.826  -9.781   1.222
   30   HD22  LEU   4          HD22      LEU   4   2.235 -10.092   2.235
   31   HD23  LEU   4          HD23      LEU   4   2.132 -10.807   0.627
   32    H    SER   5           H        SER   5   0.017  -9.539  -2.576
   33    HA   SER   5           HA       SER   5   0.784  -8.969  -5.353
   34    HB2  SER   5           HB2      SER   5  -1.789 -10.106  -4.242
   35    HB3  SER   5           HB3      SER   5  -1.430  -9.866  -5.951
   36    HG   SER   5           HG       SER   5  -1.010 -12.038  -4.776
   37    H    TRP   6           H        TRP   6   0.899  -6.790  -5.469
   38    HA   TRP   6           HA       TRP   6  -1.199  -5.102  -4.414
   39    HB2  TRP   6           HB2      TRP   6   1.312  -4.598  -6.006
   40    HB3  TRP   6           HB3      TRP   6   0.118  -3.328  -5.763
   41    HD1  TRP   6           HD1      TRP   6   2.197  -5.739  -3.506
   42    HE1  TRP   6           HE1      TRP   6   2.888  -4.419  -1.391
   43    HE3  TRP   6           HE3      TRP   6  -0.165  -1.306  -4.511
   44    HZ2  TRP   6           HZ2      TRP   6   2.469  -1.843  -0.312
   45    HZ3  TRP   6           HZ3      TRP   6   0.037   0.535  -2.888
   46    HH2  TRP   6           HH2      TRP   6   1.328   0.266  -0.835
   47    H    THR   7           H        THR   7  -2.884  -4.225  -5.573
   48    HA   THR   7           HA       THR   7  -3.223  -5.249  -8.294
   49    HB   THR   7           HB       THR   7  -5.566  -4.530  -8.101
   50    HG1  THR   7           HG1      THR   7  -6.279  -3.379  -6.437
   51   HG21  THR   7          HG21      THR   7  -4.964  -6.773  -7.363
   52   HG22  THR   7          HG22      THR   7  -6.255  -6.120  -6.355
   53   HG23  THR   7          HG23      THR   7  -4.599  -6.162  -5.750
   54    H    ALA   8           H        ALA   8  -4.456  -3.653  -9.787
   55    HA   ALA   8           HA       ALA   8  -2.696  -1.562 -10.403
   56    HB1  ALA   8           HB1      ALA   8  -5.538  -1.939 -11.342
   57    HB2  ALA   8           HB2      ALA   8  -4.110  -2.678 -12.068
   58    HB3  ALA   8           HB3      ALA   8  -4.314  -0.926 -12.107
   59    H    GLU   9           H        GLU   9  -5.722  -1.623  -8.619
   60    HA   GLU   9           HA       GLU   9  -6.162   1.143  -8.431
   61    HB2  GLU   9           HB2      GLU   9  -6.820  -0.862  -6.273
   62    HB3  GLU   9           HB3      GLU   9  -7.611   0.675  -6.579
   63    HG2  GLU   9           HG2      GLU   9  -9.112  -0.878  -7.402
   64    HG3  GLU   9           HG3      GLU   9  -8.255  -0.345  -8.849
   65    H    ALA  10           H        ALA  10  -4.525  -1.076  -6.190
   66    HA   ALA  10           HA       ALA  10  -3.821   0.867  -4.283
   67    HB1  ALA  10           HB1      ALA  10  -3.869  -1.514  -3.781
   68    HB2  ALA  10           HB2      ALA  10  -2.289  -0.824  -3.408
   69    HB3  ALA  10           HB3      ALA  10  -2.509  -1.783  -4.872
   70    H    GLU  11           H        GLU  11  -1.985  -0.531  -6.982
   71    HA   GLU  11           HA       GLU  11   0.407   0.852  -6.581
   72    HB2  GLU  11           HB2      GLU  11  -0.893  -0.533  -8.855
   73    HB3  GLU  11           HB3      GLU  11   0.389   0.600  -9.263
   74    HG2  GLU  11           HG2      GLU  11   0.710  -1.617  -7.257
   75    HG3  GLU  11           HG3      GLU  11   1.110  -1.778  -8.967
   76    H    LYS  12           H        LYS  12  -2.534   1.803  -8.290
   77    HA   LYS  12           HA       LYS  12  -1.477   4.188  -9.408
   78    HB2  LYS  12           HB2      LYS  12  -3.538   2.980 -10.188
   79    HB3  LYS  12           HB3      LYS  12  -4.365   3.578  -8.757
   80    HG2  LYS  12           HG2      LYS  12  -4.930   4.961 -10.626
   81    HG3  LYS  12           HG3      LYS  12  -3.918   5.888  -9.516
   82    HD2  LYS  12           HD2      LYS  12  -3.232   6.274 -11.822
   83    HD3  LYS  12           HD3      LYS  12  -1.963   5.430 -10.933
   84    HE2  LYS  12           HE2      LYS  12  -2.232   4.466 -13.143
   85    HE3  LYS  12           HE3      LYS  12  -2.715   3.303 -11.910
   86    HZ1  LYS  12           HZ1      LYS  12  -4.282   3.322 -13.733
   87    HZ2  LYS  12           HZ2      LYS  12  -4.547   4.986 -13.536
   88    HZ3  LYS  12           HZ3      LYS  12  -5.034   3.902 -12.327
   89    H    MET  13           H        MET  13  -3.288   3.471  -6.456
   90    HA   MET  13           HA       MET  13  -3.494   6.162  -5.564
   91    HB2  MET  13           HB2      MET  13  -3.657   3.540  -4.065
   92    HB3  MET  13           HB3      MET  13  -4.014   5.106  -3.347
   93    HG2  MET  13           HG2      MET  13  -5.878   5.434  -4.779
   94    HG3  MET  13           HG3      MET  13  -5.444   4.042  -5.767
   95    HE1  MET  13           HE1      MET  13  -6.835   5.251  -2.288
   96    HE2  MET  13           HE2      MET  13  -5.414   4.316  -1.822
   97    HE3  MET  13           HE3      MET  13  -7.029   3.717  -1.438
   98    H    LEU  14           H        LEU  14  -1.059   3.691  -5.297
   99    HA   LEU  14           HA       LEU  14   0.538   5.025  -3.331
  100    HB2  LEU  14           HB2      LEU  14   0.669   2.599  -3.728
  101    HB3  LEU  14           HB3      LEU  14   1.271   2.893  -5.348
  102    HG   LEU  14           HG       LEU  14   3.291   3.960  -4.357
  103   HD11  LEU  14          HD11      LEU  14   2.155   2.926  -1.760
  104   HD12  LEU  14          HD12      LEU  14   2.309   4.624  -2.213
  105   HD13  LEU  14          HD13      LEU  14   3.754   3.637  -1.985
  106   HD21  LEU  14          HD21      LEU  14   2.698   1.133  -3.494
  107   HD22  LEU  14          HD22      LEU  14   4.304   1.854  -3.596
  108   HD23  LEU  14          HD23      LEU  14   3.339   1.638  -5.057
  109    H    GLY  15           H        GLY  15  -0.025   5.452  -6.657
  110    HA2  GLY  15           HA2      GLY  15   2.492   6.543  -7.433
  111    HA3  GLY  15           HA3      GLY  15   0.972   6.713  -8.297
  112    H    LYS  16           H        LYS  16   0.014   7.751  -5.481
  113    HA   LYS  16           HA       LYS  16   0.275  10.526  -6.079
  114    HB2  LYS  16           HB2      LYS  16  -0.646   9.177  -3.533
  115    HB3  LYS  16           HB3      LYS  16  -0.845  10.881  -3.912
  116    HG2  LYS  16           HG2      LYS  16  -2.263  10.269  -5.823
  117    HG3  LYS  16           HG3      LYS  16  -2.100   8.569  -5.377
  118    HD2  LYS  16           HD2      LYS  16  -4.192   9.407  -4.515
  119    HD3  LYS  16           HD3      LYS  16  -3.096   9.108  -3.164
  120    HE2  LYS  16           HE2      LYS  16  -2.543  11.489  -3.086
  121    HE3  LYS  16           HE3      LYS  16  -3.625  11.789  -4.445
  122    HZ1  LYS  16           HZ1      LYS  16  -4.825  12.341  -2.528
  123    HZ2  LYS  16           HZ2      LYS  16  -4.333  10.950  -1.690
  124    HZ3  LYS  16           HZ3      LYS  16  -5.422  10.819  -2.985
  125    H    VAL  17           H        VAL  17   2.190   8.271  -4.403
  126    HA   VAL  17           HA       VAL  17   3.538  10.312  -2.803
  127    HB   VAL  17           HB       VAL  17   3.981   7.320  -2.839
  128   HG11  VAL  17          HG11      VAL  17   5.909   8.525  -2.009
  129   HG12  VAL  17          HG12      VAL  17   5.093   7.710  -0.675
  130   HG13  VAL  17          HG13      VAL  17   4.890   9.447  -0.903
  131   HG21  VAL  17          HG21      VAL  17   2.709   7.303  -0.725
  132   HG22  VAL  17          HG22      VAL  17   1.727   7.786  -2.107
  133   HG23  VAL  17          HG23      VAL  17   2.314   9.004  -0.973
  134    HA   PRO  18           HA       PRO  18   6.653  10.825  -5.995
  135    HB2  PRO  18           HB2      PRO  18   8.229  11.725  -3.634
  136    HB3  PRO  18           HB3      PRO  18   7.961  12.537  -5.180
  137    HG2  PRO  18           HG2      PRO  18   6.704  13.344  -2.971
  138    HG3  PRO  18           HG3      PRO  18   5.889  13.350  -4.545
  139    HD2  PRO  18           HD2      PRO  18   5.579  11.466  -2.254
  140    HD3  PRO  18           HD3      PRO  18   4.366  12.049  -3.413
  141    H    PHE  19           H        PHE  19   8.314   9.651  -6.694
  142    HA   PHE  19           HA       PHE  19   8.453   7.046  -5.817
  143    HB2  PHE  19           HB2      PHE  19   9.085   8.103  -8.084
  144    HB3  PHE  19           HB3      PHE  19  10.690   8.286  -7.384
  145    HD1  PHE  19           HD1      PHE  19   8.062   5.810  -8.139
  146    HD2  PHE  19           HD2      PHE  19  12.187   6.495  -7.363
  147    HE1  PHE  19           HE1      PHE  19   8.561   3.474  -8.748
  148    HE2  PHE  19           HE2      PHE  19  12.694   4.161  -7.964
  149    HZ   PHE  19           HZ       PHE  19  10.882   2.649  -8.658
  150    H    PHE  20           H        PHE  20  10.496   9.728  -4.886
  151    HA   PHE  20           HA       PHE  20  12.727   8.354  -3.925
  152    HB2  PHE  20           HB2      PHE  20  11.556  10.872  -2.731
  153    HB3  PHE  20           HB3      PHE  20  13.232  10.343  -2.653
  154    HD1  PHE  20           HD2      PHE  20  14.500  10.153  -4.879
  155    HD2  PHE  20           HD1      PHE  20  10.839  12.268  -4.415
  156    HE1  PHE  20           HE2      PHE  20  14.980  11.425  -6.931
  157    HE2  PHE  20           HE1      PHE  20  11.309  13.542  -6.470
  158    HZ   PHE  20           HZ       PHE  20  13.383  13.123  -7.728
  159    H    VAL  21           H        VAL  21   9.624   9.038  -2.405
  160    HA   VAL  21           HA       VAL  21  10.494   7.447  -0.078
  161    HB   VAL  21           HB       VAL  21   8.810   8.646   1.255
  162   HG11  VAL  21          HG11      VAL  21  11.108   9.463   1.209
  163   HG12  VAL  21          HG12      VAL  21   9.967  10.798   1.371
  164   HG13  VAL  21          HG13      VAL  21  10.730  10.473  -0.188
  165   HG21  VAL  21          HG21      VAL  21   8.421  10.328  -1.223
  166   HG22  VAL  21          HG22      VAL  21   7.728  10.656   0.365
  167   HG23  VAL  21          HG23      VAL  21   7.241   9.216  -0.530
  168    H    ARG  22           H        ARG  22   8.735   7.267  -2.810
  169    HA   ARG  22           HA       ARG  22   6.272   6.169  -2.026
  170    HB2  ARG  22           HB2      ARG  22   6.811   6.964  -4.324
  171    HB3  ARG  22           HB3      ARG  22   7.856   5.564  -4.530
  172    HG2  ARG  22           HG2      ARG  22   5.869   4.112  -4.159
  173    HG3  ARG  22           HG3      ARG  22   4.872   5.569  -4.154
  174    HD2  ARG  22           HD2      ARG  22   5.691   6.097  -6.419
  175    HD3  ARG  22           HD3      ARG  22   6.603   4.588  -6.417
  176    HE   ARG  22           HE       ARG  22   3.666   4.787  -6.355
  177   HH11  ARG  22          HH11      ARG  22   6.601   3.046  -7.128
  178   HH12  ARG  22          HH12      ARG  22   5.773   1.722  -7.892
  179   HH21  ARG  22          HH21      ARG  22   2.560   3.041  -7.376
  180   HH22  ARG  22          HH22      ARG  22   3.477   1.704  -8.004
  181    H    LYS  23           H        LYS  23   9.335   4.628  -2.915
  182    HA   LYS  23           HA       LYS  23   8.535   1.978  -2.452
  183    HB2  LYS  23           HB2      LYS  23  10.995   1.525  -2.266
  184    HB3  LYS  23           HB3      LYS  23  10.512   2.381  -3.724
  185    HG2  LYS  23           HG2      LYS  23  11.173   4.511  -2.543
  186    HG3  LYS  23           HG3      LYS  23  11.899   3.490  -1.301
  187    HD2  LYS  23           HD2      LYS  23  12.594   3.453  -4.238
  188    HD3  LYS  23           HD3      LYS  23  13.546   4.223  -2.967
  189    HE2  LYS  23           HE2      LYS  23  13.964   2.093  -1.926
  190    HE3  LYS  23           HE3      LYS  23  12.878   1.287  -3.058
  191    HZ1  LYS  23           HZ1      LYS  23  15.389   2.683  -3.819
  192    HZ2  LYS  23           HZ2      LYS  23  14.368   1.800  -4.852
  193    HZ3  LYS  23           HZ3      LYS  23  15.226   1.002  -3.629
  194    H    LYS  24           H        LYS  24   9.736   4.470  -0.328
  195    HA   LYS  24           HA       LYS  24  10.173   2.893   1.964
  196    HB2  LYS  24           HB2      LYS  24  10.954   5.240   1.708
  197    HB3  LYS  24           HB3      LYS  24   9.286   5.785   1.812
  198    HG2  LYS  24           HG2      LYS  24   9.164   4.793   4.085
  199    HG3  LYS  24           HG3      LYS  24  10.886   4.428   3.966
  200    HD2  LYS  24           HD2      LYS  24  11.258   6.882   3.530
  201    HD3  LYS  24           HD3      LYS  24   9.566   7.133   3.963
  202    HE2  LYS  24           HE2      LYS  24  10.971   7.545   5.886
  203    HE3  LYS  24           HE3      LYS  24  10.003   6.094   6.154
  204    HZ1  LYS  24           HZ1      LYS  24  12.360   5.860   6.820
  205    HZ2  LYS  24           HZ2      LYS  24  12.816   6.072   5.200
  206    HZ3  LYS  24           HZ3      LYS  24  11.884   4.728   5.650
  207    H    VAL  25           H        VAL  25   7.385   4.835   0.936
  208    HA   VAL  25           HA       VAL  25   5.673   4.079   3.031
  209    HB   VAL  25           HB       VAL  25   4.950   4.987   0.237
  210   HG11  VAL  25          HG11      VAL  25   3.048   3.906   1.267
  211   HG12  VAL  25          HG12      VAL  25   2.793   5.652   1.262
  212   HG13  VAL  25          HG13      VAL  25   3.280   4.835   2.747
  213   HG21  VAL  25          HG21      VAL  25   4.693   7.192   1.250
  214   HG22  VAL  25          HG22      VAL  25   6.338   6.590   1.456
  215   HG23  VAL  25          HG23      VAL  25   5.206   6.543   2.807
  216    H    ARG  26           H        ARG  26   6.135   2.724  -0.225
  217    HA   ARG  26           HA       ARG  26   4.026   0.896  -0.189
  218    HB2  ARG  26           HB2      ARG  26   5.441   1.413  -2.193
  219    HB3  ARG  26           HB3      ARG  26   6.706   0.404  -1.493
  220    HG2  ARG  26           HG2      ARG  26   4.602  -1.274  -1.338
  221    HG3  ARG  26           HG3      ARG  26   4.173  -0.356  -2.778
  222    HD2  ARG  26           HD2      ARG  26   5.817  -1.278  -4.006
  223    HD3  ARG  26           HD3      ARG  26   6.962  -1.276  -2.659
  224    HE   ARG  26           HE       ARG  26   5.681  -3.233  -1.788
  225   HH11  ARG  26          HH11      ARG  26   5.620  -2.485  -5.229
  226   HH12  ARG  26          HH12      ARG  26   5.271  -4.125  -5.698
  227   HH21  ARG  26          HH21      ARG  26   5.170  -5.340  -2.390
  228   HH22  ARG  26          HH22      ARG  26   5.000  -5.760  -4.074
  229    H    LYS  27           H        LYS  27   7.379   0.479   0.901
  230    HA   LYS  27           HA       LYS  27   7.125  -2.236   1.599
  231    HB2  LYS  27           HB2      LYS  27   9.267  -0.896   1.310
  232    HB3  LYS  27           HB3      LYS  27   8.982  -0.264   2.926
  233    HG2  LYS  27           HG2      LYS  27   9.252  -2.384   3.916
  234    HG3  LYS  27           HG3      LYS  27   9.150  -3.204   2.357
  235    HD2  LYS  27           HD2      LYS  27  11.255  -2.018   1.692
  236    HD3  LYS  27           HD3      LYS  27  11.377  -1.435   3.354
  237    HE2  LYS  27           HE2      LYS  27  11.552  -3.669   4.194
  238    HE3  LYS  27           HE3      LYS  27  11.199  -4.347   2.605
  239    HZ1  LYS  27           HZ1      LYS  27  13.276  -3.349   1.795
  240    HZ2  LYS  27           HZ2      LYS  27  13.539  -4.472   3.037
  241    HZ3  LYS  27           HZ3      LYS  27  13.623  -2.810   3.366
  242    H    ASN  28           H        ASN  28   6.352   0.723   3.305
  243    HA   ASN  28           HA       ASN  28   5.844  -0.487   5.823
  244    HB2  ASN  28           HB2      ASN  28   5.096   2.130   4.574
  245    HB3  ASN  28           HB3      ASN  28   4.287   1.621   6.054
  246   HD21  ASN  28          HD21      ASN  28   7.264   2.684   4.633
  247   HD22  ASN  28          HD22      ASN  28   8.111   2.949   6.125
  248    H    THR  29           H        THR  29   3.817   0.178   2.985
  249    HA   THR  29           HA       THR  29   1.421  -0.823   4.131
  250    HB   THR  29           HB       THR  29   1.262  -1.287   1.388
  251    HG1  THR  29           HG1      THR  29   3.129  -0.184   0.954
  252   HG21  THR  29          HG21      THR  29   0.468   1.153   2.974
  253   HG22  THR  29          HG22      THR  29  -0.491  -0.315   2.775
  254   HG23  THR  29          HG23      THR  29  -0.153   0.713   1.383
  255    H    ASP  30           H        ASP  30   3.994  -2.336   2.191
  256    HA   ASP  30           HA       ASP  30   2.878  -4.873   1.890
  257    HB2  ASP  30           HB2      ASP  30   5.761  -4.051   2.308
  258    HB3  ASP  30           HB3      ASP  30   5.290  -5.715   1.996
  259    H    ASN  31           H        ASN  31   4.709  -3.498   4.586
  260    HA   ASN  31           HA       ASN  31   4.507  -5.797   6.244
  261    HB2  ASN  31           HB2      ASN  31   5.254  -2.937   6.701
  262    HB3  ASN  31           HB3      ASN  31   4.948  -3.978   8.086
  263   HD21  ASN  31          HD21      ASN  31   7.024  -3.375   5.350
  264   HD22  ASN  31          HD22      ASN  31   8.311  -4.413   5.862
  265    H    TYR  32           H        TYR  32   2.428  -3.029   5.677
  266    HA   TYR  32           HA       TYR  32   0.784  -3.398   7.974
  267    HB2  TYR  32           HB2      TYR  32   0.817  -1.257   6.790
  268    HB3  TYR  32           HB3      TYR  32   0.177  -2.028   5.341
  269    HD1  TYR  32           HD1      TYR  32  -0.651  -1.339   8.906
  270    HD2  TYR  32           HD2      TYR  32  -2.130  -2.132   4.996
  271    HE1  TYR  32           HE1      TYR  32  -2.935  -0.871   9.680
  272    HE2  TYR  32           HE2      TYR  32  -4.420  -1.661   5.759
  273    HH   TYR  32           HH       TYR  32  -5.681  -1.677   7.917
  274    H    ALA  33           H        ALA  33   0.617  -4.479   4.630
  275    HA   ALA  33           HA       ALA  33  -1.859  -5.777   4.751
  276    HB1  ALA  33           HB1      ALA  33  -1.128  -6.986   2.773
  277    HB2  ALA  33           HB2      ALA  33   0.539  -6.495   3.072
  278    HB3  ALA  33           HB3      ALA  33  -0.677  -5.285   2.664
  279    H    ARG  34           H        ARG  34   1.421  -6.987   5.352
  280    HA   ARG  34           HA       ARG  34   0.718  -9.631   6.020
  281    HB2  ARG  34           HB2      ARG  34   3.014  -7.996   7.125
  282    HB3  ARG  34           HB3      ARG  34   2.900  -9.752   7.111
  283    HG2  ARG  34           HG2      ARG  34   3.036  -9.796   4.726
  284    HG3  ARG  34           HG3      ARG  34   2.957  -8.036   4.651
  285    HD2  ARG  34           HD2      ARG  34   5.235  -8.663   4.355
  286    HD3  ARG  34           HD3      ARG  34   5.081  -7.969   5.968
  287    HE   ARG  34           HE       ARG  34   4.761 -10.704   6.270
  288   HH11  ARG  34          HH11      ARG  34   7.242  -8.488   5.180
  289   HH12  ARG  34          HH12      ARG  34   8.560  -9.542   5.584
  290   HH21  ARG  34          HH21      ARG  34   6.489 -12.125   6.779
  291   HH22  ARG  34          HH22      ARG  34   8.131 -11.620   6.482
  292    H    GLU  35           H        GLU  35   0.913  -6.676   7.883
  293    HA   GLU  35           HA       GLU  35   0.670  -7.721  10.446
  294    HB2  GLU  35           HB2      GLU  35   1.252  -5.354   9.803
  295    HB3  GLU  35           HB3      GLU  35  -0.452  -5.089   9.469
  296    HG2  GLU  35           HG2      GLU  35  -0.032  -4.207  11.611
  297    HG3  GLU  35           HG3      GLU  35  -0.913  -5.714  11.856
  298    H    ILE  36           H        ILE  36  -1.837  -6.628   8.174
  299    HA   ILE  36           HA       ILE  36  -3.952  -7.414   9.996
  300    HB   ILE  36           HB       ILE  36  -5.488  -6.627   8.213
  301   HG12  ILE  36          HG12      ILE  36  -2.914  -5.944   6.775
  302   HG13  ILE  36          HG13      ILE  36  -4.104  -7.135   6.261
  303   HG21  ILE  36          HG21      ILE  36  -4.713  -5.119   9.959
  304   HG22  ILE  36          HG22      ILE  36  -4.927  -4.258   8.436
  305   HG23  ILE  36          HG23      ILE  36  -3.307  -4.692   8.984
  306   HD11  ILE  36          HD11      ILE  36  -4.516  -4.157   6.435
  307   HD12  ILE  36          HD12      ILE  36  -5.749  -5.333   5.974
  308   HD13  ILE  36          HD13      ILE  36  -4.320  -5.112   4.965
  309    H    GLY  37           H        GLY  37  -2.109  -8.952   7.625
  310    HA2  GLY  37           HA2      GLY  37  -2.184 -11.254   7.208
  311    HA3  GLY  37           HA3      GLY  37  -3.817 -11.299   7.851
  312    H    GLU  38           H        GLU  38  -2.837  -9.009   5.395
  313    HA   GLU  38           HA       GLU  38  -4.599 -10.407   3.489
  314    HB2  GLU  38           HB2      GLU  38  -3.909  -7.474   3.726
  315    HB3  GLU  38           HB3      GLU  38  -4.836  -8.162   2.400
  316    HG2  GLU  38           HG2      GLU  38  -5.627  -8.207   5.304
  317    HG3  GLU  38           HG3      GLU  38  -6.263  -7.109   4.080
  318    HA   PRO  39           HA       PRO  39  -0.644 -10.964   1.338
  319    HB2  PRO  39           HB2      PRO  39  -2.237 -12.699  -0.408
  320    HB3  PRO  39           HB3      PRO  39  -0.839 -13.100   0.592
  321    HG2  PRO  39           HG2      PRO  39  -3.326 -13.957   1.191
  322    HG3  PRO  39           HG3      PRO  39  -2.126 -13.574   2.440
  323    HD2  PRO  39           HD2      PRO  39  -4.435 -11.932   1.461
  324    HD3  PRO  39           HD3      PRO  39  -3.855 -12.180   3.122
  325    H    VAL  40           H        VAL  40  -3.740  -9.939   0.180
  326    HA   VAL  40           HA       VAL  40  -2.491  -8.896  -2.277
  327    HB   VAL  40           HB       VAL  40  -5.422  -9.430  -1.749
  328   HG11  VAL  40          HG11      VAL  40  -5.732  -8.952  -4.133
  329   HG12  VAL  40          HG12      VAL  40  -4.028  -8.521  -4.264
  330   HG13  VAL  40          HG13      VAL  40  -5.105  -7.552  -3.260
  331   HG21  VAL  40          HG21      VAL  40  -4.201 -11.503  -1.976
  332   HG22  VAL  40          HG22      VAL  40  -3.434 -10.923  -3.453
  333   HG23  VAL  40          HG23      VAL  40  -5.171 -11.224  -3.423
  334    H    VAL  41           H        VAL  41  -2.180  -6.770  -2.339
  335    HA   VAL  41           HA       VAL  41  -3.567  -5.078  -0.399
  336    HB   VAL  41           HB       VAL  41  -1.285  -4.369  -2.256
  337   HG11  VAL  41          HG11      VAL  41  -2.569  -2.843   0.006
  338   HG12  VAL  41          HG12      VAL  41  -2.580  -2.413  -1.706
  339   HG13  VAL  41          HG13      VAL  41  -1.069  -2.376  -0.795
  340   HG21  VAL  41          HG21      VAL  41   0.094  -4.388  -0.206
  341   HG22  VAL  41          HG22      VAL  41  -0.556  -5.982  -0.600
  342   HG23  VAL  41          HG23      VAL  41  -1.285  -5.023   0.689
  343    H    THR  42           H        THR  42  -5.503  -4.517  -1.105
  344    HA   THR  42           HA       THR  42  -5.913  -3.735  -3.892
  345    HB   THR  42           HB       THR  42  -8.321  -3.676  -3.238
  346    HG1  THR  42           HG1      THR  42  -8.532  -4.885  -1.032
  347   HG21  THR  42          HG21      THR  42  -8.606  -6.089  -2.990
  348   HG22  THR  42          HG22      THR  42  -6.916  -6.254  -2.512
  349   HG23  THR  42          HG23      THR  42  -7.323  -5.741  -4.150
  350    H    ALA  43           H        ALA  43  -7.645  -1.814  -3.993
  351    HA   ALA  43           HA       ALA  43  -6.516   0.554  -3.000
  352    HB1  ALA  43           HB1      ALA  43  -9.378   0.049  -3.824
  353    HB2  ALA  43           HB2      ALA  43  -8.062   0.489  -4.910
  354    HB3  ALA  43           HB3      ALA  43  -8.601   1.628  -3.677
  355    H    ASP  44           H        ASP  44  -9.013  -1.584  -1.798
  356    HA   ASP  44           HA       ASP  44  -9.884  -0.134   0.426
  357    HB2  ASP  44           HB2      ASP  44 -11.201  -1.984  -0.076
  358    HB3  ASP  44           HB3      ASP  44  -9.811  -3.040  -0.298
  359    H    VAL  45           H        VAL  45  -7.354  -2.636   0.220
  360    HA   VAL  45           HA       VAL  45  -6.564  -2.507   2.907
  361    HB   VAL  45           HB       VAL  45  -4.904  -3.280   0.498
  362   HG11  VAL  45          HG11      VAL  45  -3.491  -2.769   2.427
  363   HG12  VAL  45          HG12      VAL  45  -3.492  -4.497   2.077
  364   HG13  VAL  45          HG13      VAL  45  -4.444  -3.868   3.423
  365   HG21  VAL  45          HG21      VAL  45  -6.917  -4.626   0.723
  366   HG22  VAL  45          HG22      VAL  45  -6.532  -4.952   2.412
  367   HG23  VAL  45          HG23      VAL  45  -5.491  -5.580   1.136
  368    H    PHE  46           H        PHE  46  -5.406  -0.737   0.066
  369    HA   PHE  46           HA       PHE  46  -3.325   0.629   1.427
  370    HB2  PHE  46           HB2      PHE  46  -3.523   0.295  -1.073
  371    HB3  PHE  46           HB3      PHE  46  -4.755   1.552  -1.069
  372    HD1  PHE  46           HD1      PHE  46  -1.199   0.856  -0.369
  373    HD2  PHE  46           HD2      PHE  46  -4.165   3.836  -1.024
  374    HE1  PHE  46           HE1      PHE  46   0.565   2.558  -0.576
  375    HE2  PHE  46           HE2      PHE  46  -2.408   5.546  -1.224
  376    HZ   PHE  46           HZ       PHE  46  -0.041   4.909  -1.005
  377    H    ARG  47           H        ARG  47  -6.712   1.338   0.792
  378    HA   ARG  47           HA       ARG  47  -6.745   4.023   1.617
  379    HB2  ARG  47           HB2      ARG  47  -8.570   2.957   0.364
  380    HB3  ARG  47           HB3      ARG  47  -8.945   1.955   1.756
  381    HG2  ARG  47           HG2      ARG  47  -9.619   3.881   3.026
  382    HG3  ARG  47           HG3      ARG  47  -9.109   4.959   1.723
  383    HD2  ARG  47           HD2      ARG  47 -10.786   3.941   0.244
  384    HD3  ARG  47           HD3      ARG  47 -11.304   2.893   1.564
  385    HE   ARG  47           HE       ARG  47 -11.694   5.214   2.714
  386   HH11  ARG  47          HH11      ARG  47 -12.388   4.333  -0.622
  387   HH12  ARG  47          HH12      ARG  47 -13.699   5.470  -0.762
  388   HH21  ARG  47          HH21      ARG  47 -13.421   6.682   2.501
  389   HH22  ARG  47          HH22      ARG  47 -14.285   6.786   0.996
  390    H    LYS  48           H        LYS  48  -7.348   1.031   3.430
  391    HA   LYS  48           HA       LYS  48  -7.847   2.259   5.922
  392    HB2  LYS  48           HB2      LYS  48  -6.895  -0.495   5.159
  393    HB3  LYS  48           HB3      LYS  48  -7.143  -0.026   6.837
  394    HG2  LYS  48           HG2      LYS  48  -9.463   0.355   6.466
  395    HG3  LYS  48           HG3      LYS  48  -9.274   0.163   4.723
  396    HD2  LYS  48           HD2      LYS  48  -8.736  -2.012   6.742
  397    HD3  LYS  48           HD3      LYS  48 -10.261  -1.819   5.873
  398    HE2  LYS  48           HE2      LYS  48  -8.907  -1.936   3.743
  399    HE3  LYS  48           HE3      LYS  48  -7.544  -2.439   4.741
  400    HZ1  LYS  48           HZ1      LYS  48 -10.112  -3.877   4.898
  401    HZ2  LYS  48           HZ2      LYS  48  -8.550  -4.438   5.255
  402    HZ3  LYS  48           HZ3      LYS  48  -9.029  -4.206   3.643
  403    H    ALA  49           H        ALA  49  -4.907   1.318   4.280
  404    HA   ALA  49           HA       ALA  49  -3.133   1.598   6.461
  405    HB1  ALA  49           HB1      ALA  49  -2.540   0.392   4.415
  406    HB2  ALA  49           HB2      ALA  49  -1.364   1.652   4.793
  407    HB3  ALA  49           HB3      ALA  49  -2.556   1.910   3.518
  408    H    LYS  50           H        LYS  50  -4.382   3.873   4.077
  409    HA   LYS  50           HA       LYS  50  -2.698   6.040   4.479
  410    HB2  LYS  50           HB2      LYS  50  -5.691   6.149   4.046
  411    HB3  LYS  50           HB3      LYS  50  -4.555   7.452   3.737
  412    HG2  LYS  50           HG2      LYS  50  -4.538   4.801   2.315
  413    HG3  LYS  50           HG3      LYS  50  -5.300   6.270   1.703
  414    HD2  LYS  50           HD2      LYS  50  -2.374   6.022   2.392
  415    HD3  LYS  50           HD3      LYS  50  -3.036   5.828   0.767
  416    HE2  LYS  50           HE2      LYS  50  -3.979   8.124   0.953
  417    HE3  LYS  50           HE3      LYS  50  -3.132   8.300   2.490
  418    HZ1  LYS  50           HZ1      LYS  50  -1.840   7.766  -0.128
  419    HZ2  LYS  50           HZ2      LYS  50  -1.038   7.987   1.345
  420    HZ3  LYS  50           HZ3      LYS  50  -1.896   9.276   0.641
  421    H    GLU  51           H        GLU  51  -5.675   5.214   6.178
  422    HA   GLU  51           HA       GLU  51  -5.596   7.347   8.033
  423    HB2  GLU  51           HB2      GLU  51  -7.645   6.112   7.484
  424    HB3  GLU  51           HB3      GLU  51  -6.968   4.653   8.190
  425    HG2  GLU  51           HG2      GLU  51  -6.854   5.876  10.372
  426    HG3  GLU  51           HG3      GLU  51  -7.768   7.178   9.609
  427    H    HIS  52           H        HIS  52  -4.361   4.057   8.071
  428    HA   HIS  52           HA       HIS  52  -3.838   3.946  10.855
  429    HB2  HIS  52           HB2      HIS  52  -4.141   1.974   9.334
  430    HB3  HIS  52           HB3      HIS  52  -2.543   2.308   8.676
  431    HD1  HIS  52           HD1      HIS  52  -4.276   0.652  11.452
  432    HD2  HIS  52           HD2      HIS  52  -0.398   1.885  10.567
  433    HE1  HIS  52           HE1      HIS  52  -2.788  -0.552  13.088
  434    HE2  HIS  52           HE2      HIS  52  -0.438   0.113  12.459
  435    H    LEU  53           H        LEU  53  -1.893   4.857   8.062
  436    HA   LEU  53           HA       LEU  53   0.599   4.870   9.412
  437    HB2  LEU  53           HB2      LEU  53  -0.284   6.307   6.915
  438    HB3  LEU  53           HB3      LEU  53   1.374   6.235   7.478
  439    HG   LEU  53           HG       LEU  53  -0.287   3.843   6.674
  440   HD11  LEU  53          HD11      LEU  53   0.235   5.225   4.752
  441   HD12  LEU  53          HD12      LEU  53   1.201   3.748   4.724
  442   HD13  LEU  53          HD13      LEU  53   1.934   5.272   5.222
  443   HD21  LEU  53          HD21      LEU  53   1.360   3.266   8.355
  444   HD22  LEU  53          HD22      LEU  53   2.622   4.087   7.437
  445   HD23  LEU  53          HD23      LEU  53   1.860   2.638   6.784
  446    H    GLY  54           H        GLY  54  -1.985   7.176   9.199
  447    HA2  GLY  54           HA2      GLY  54  -1.633   8.666  11.318
  448    HA3  GLY  54           HA3      GLY  54  -0.293   9.269  10.351
  449    H    GLY  55           H        GLY  55  -1.018  11.322  10.023
  450    HA2  GLY  55           HA2      GLY  55  -3.488  11.551   8.423
  451    HA3  GLY  55           HA3      GLY  55  -3.192  12.629   9.777
  452    H    LEU  56           H        LEU  56  -0.640  11.548   7.664
  453    HA   LEU  56           HA       LEU  56   0.238  14.150   7.066
  454    HB2  LEU  56           HB2      LEU  56   1.673  12.153   6.963
  455    HB3  LEU  56           HB3      LEU  56   0.780  11.588   5.565
  456    HG   LEU  56           HG       LEU  56   1.550  13.552   4.286
  457   HD11  LEU  56          HD11      LEU  56   3.324  14.966   5.191
  458   HD12  LEU  56          HD12      LEU  56   3.177  14.154   6.749
  459   HD13  LEU  56          HD13      LEU  56   1.836  15.115   6.127
  460   HD21  LEU  56          HD21      LEU  56   3.774  11.972   5.572
  461   HD22  LEU  56          HD22      LEU  56   3.874  12.852   4.047
  462   HD23  LEU  56          HD23      LEU  56   2.805  11.457   4.193
  463    H    GLU  57           H        GLU  57  -1.727  11.864   5.227
  464    HA   GLU  57           HA       GLU  57  -2.361  13.983   3.300
  465    HB2  GLU  57           HB2      GLU  57  -1.576  11.706   2.500
  466    HB3  GLU  57           HB3      GLU  57  -3.076  11.051   3.136
  467    HG2  GLU  57           HG2      GLU  57  -4.356  12.429   1.607
  468    HG3  GLU  57           HG3      GLU  57  -2.872  13.162   1.000
  469    H    HIS  58           H        HIS  58  -3.889  15.197   4.330
  470    HA   HIS  58           HA       HIS  58  -6.159  13.742   5.529
  471    HB2  HIS  58           HB2      HIS  58  -4.698  14.931   7.165
  472    HB3  HIS  58           HB3      HIS  58  -5.088  16.446   6.360
  473    HD1  HIS  58           HD1      HIS  58  -6.637  17.698   7.829
  474    HD2  HIS  58           HD2      HIS  58  -7.518  13.631   7.747
  475    HE1  HIS  58           HE1      HIS  58  -8.700  17.418   9.246
  476    HE2  HIS  58           HE2      HIS  58  -9.271  14.965   9.110
  477    H    HIS  59           H        HIS  59  -5.179  16.071   3.227
  478    HA   HIS  59           HA       HIS  59  -7.904  17.091   2.913
  479    HB2  HIS  59           HB2      HIS  59  -5.247  17.879   1.748
  480    HB3  HIS  59           HB3      HIS  59  -6.747  18.419   1.006
  481    HD1  HIS  59           HD1      HIS  59  -5.297  20.723   1.838
  482    HD2  HIS  59           HD2      HIS  59  -7.471  18.534   4.633
  483    HE1  HIS  59           HE1      HIS  59  -5.698  22.288   3.767
  484    HE2  HIS  59           HE2      HIS  59  -7.185  21.005   5.352
  485    H    HIS  60           H        HIS  60  -9.267  15.983   1.683
  486    HA   HIS  60           HA       HIS  60  -8.208  14.811  -0.799
  487    HB2  HIS  60           HB2      HIS  60  -8.629  13.061   0.986
  488    HB3  HIS  60           HB3      HIS  60 -10.338  13.470   0.873
  489    HD1  HIS  60           HD1      HIS  60  -7.539  12.282  -1.406
  490    HD2  HIS  60           HD2      HIS  60 -11.674  12.024  -1.019
  491    HE1  HIS  60           HE1      HIS  60  -8.293  10.689  -3.204
  492    HE2  HIS  60           HE2      HIS  60 -10.778  10.446  -2.873
  493    H    HIS  61           H        HIS  61  -9.026  17.044  -1.352
  494    HA   HIS  61           HA       HIS  61 -11.913  17.161  -1.768
  495    HB2  HIS  61           HB2      HIS  61 -10.457  19.168  -1.083
  496    HB3  HIS  61           HB3      HIS  61  -9.852  19.151  -2.734
  497    HD1  HIS  61           HD1      HIS  61 -12.499  20.490  -0.656
  498    HD2  HIS  61           HD2      HIS  61 -12.016  19.618  -4.700
  499    HE1  HIS  61           HE1      HIS  61 -14.296  21.776  -1.852
  500    HE2  HIS  61           HE2      HIS  61 -13.892  21.359  -4.300
  501    H    HIS  62           H        HIS  62  -8.913  16.660  -3.437
  502    HA   HIS  62           HA       HIS  62 -10.131  15.232  -5.555
  503    HB2  HIS  62           HB2      HIS  62 -10.241  17.941  -5.993
  504    HB3  HIS  62           HB3      HIS  62  -8.735  17.503  -6.792
  505    HD1  HIS  62           HD1      HIS  62  -8.903  16.197  -8.991
  506    HD2  HIS  62           HD2      HIS  62 -12.565  16.743  -7.083
  507    HE1  HIS  62           HE1      HIS  62 -10.657  15.506 -10.663
  508    HE2  HIS  62           HE2      HIS  62 -12.866  15.911  -9.512
  509    H    HIS  63           H        HIS  63  -7.375  16.917  -4.220
  510    HA   HIS  63           HA       HIS  63  -5.635  14.848  -5.375
  511    HB2  HIS  63           HB2      HIS  63  -3.765  16.550  -5.221
  512    HB3  HIS  63           HB3      HIS  63  -4.976  16.866  -6.455
  513    HD1  HIS  63           HD1      HIS  63  -6.277  19.035  -6.300
  514    HD2  HIS  63           HD2      HIS  63  -3.818  18.360  -3.008
  515    HE1  HIS  63           HE1      HIS  63  -6.270  21.191  -5.004
  516    HE2  HIS  63           HE2      HIS  63  -4.638  20.819  -3.118
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1  12.402 -11.472  -0.468
    2    H2   MET   1           H2       MET   1  13.367 -11.197  -1.839
    3    H3   MET   1           H3       MET   1  11.745 -11.651  -2.022
    4    HA   MET   1           HA       MET   1  12.724  -9.123  -0.830
    5    HB2  MET   1           HB2      MET   1  12.990  -9.279  -3.299
    6    HB3  MET   1           HB3      MET   1  11.274  -9.627  -3.442
    7    HG2  MET   1           HG2      MET   1  10.758  -7.430  -2.485
    8    HG3  MET   1           HG3      MET   1  12.483  -7.082  -2.387
    9    HE1  MET   1           HE1      MET   1  10.182  -7.663  -6.345
   10    HE2  MET   1           HE2      MET   1   9.408  -7.647  -4.761
   11    HE3  MET   1           HE3      MET   1  10.488  -8.969  -5.202
   12    H    GLY   2           H        GLY   2  11.134  -7.750  -0.020
   13    HA2  GLY   2           HA2      GLY   2   8.771  -9.021   0.979
   14    HA3  GLY   2           HA3      GLY   2   9.209  -7.326   1.175
   15    H    GLU   3           H        GLU   3   7.846  -9.664  -1.075
   16    HA   GLU   3           HA       GLU   3   6.518  -7.441  -2.474
   17    HB2  GLU   3           HB2      GLU   3   8.157  -8.765  -3.821
   18    HB3  GLU   3           HB3      GLU   3   7.149 -10.185  -3.571
   19    HG2  GLU   3           HG2      GLU   3   6.672  -9.287  -5.725
   20    HG3  GLU   3           HG3      GLU   3   5.284  -8.989  -4.679
   21    H    LEU   4           H        LEU   4   4.368  -7.482  -2.709
   22    HA   LEU   4           HA       LEU   4   2.901  -9.872  -1.831
   23    HB2  LEU   4           HB2      LEU   4   2.249  -6.986  -1.207
   24    HB3  LEU   4           HB3      LEU   4   1.172  -8.333  -0.893
   25    HG   LEU   4           HG       LEU   4   3.904  -8.014   0.358
   26   HD11  LEU   4          HD11      LEU   4   2.389  -6.257   1.101
   27   HD12  LEU   4          HD12      LEU   4   2.697  -7.418   2.393
   28   HD13  LEU   4          HD13      LEU   4   1.173  -7.467   1.507
   29   HD21  LEU   4          HD21      LEU   4   3.120  -9.784   1.865
   30   HD22  LEU   4          HD22      LEU   4   3.179 -10.329   0.188
   31   HD23  LEU   4          HD23      LEU   4   1.631  -9.916   0.928
   32    H    SER   5           H        SER   5   0.466  -9.534  -2.593
   33    HA   SER   5           HA       SER   5   0.667  -9.090  -5.445
   34    HB2  SER   5           HB2      SER   5  -1.634 -10.058  -3.735
   35    HB3  SER   5           HB3      SER   5  -1.659  -9.970  -5.497
   36    HG   SER   5           HG       SER   5   0.064 -11.452  -5.544
   37    H    TRP   6           H        TRP   6   0.730  -7.000  -5.945
   38    HA   TRP   6           HA       TRP   6  -1.076  -5.119  -4.635
   39    HB2  TRP   6           HB2      TRP   6   1.330  -4.843  -6.407
   40    HB3  TRP   6           HB3      TRP   6   0.229  -3.486  -6.192
   41    HD1  TRP   6           HD1      TRP   6   2.420  -5.829  -3.999
   42    HE1  TRP   6           HE1      TRP   6   3.192  -4.480  -1.946
   43    HE3  TRP   6           HE3      TRP   6  -0.111  -1.483  -4.897
   44    HZ2  TRP   6           HZ2      TRP   6   2.772  -1.903  -0.853
   45    HZ3  TRP   6           HZ3      TRP   6   0.132   0.376  -3.306
   46    HH2  TRP   6           HH2      TRP   6   1.547   0.169  -1.326
   47    H    THR   7           H        THR   7  -2.748  -4.136  -5.596
   48    HA   THR   7           HA       THR   7  -3.514  -5.060  -8.262
   49    HB   THR   7           HB       THR   7  -5.717  -4.011  -7.711
   50    HG1  THR   7           HG1      THR   7  -4.624  -3.742  -5.088
   51   HG21  THR   7          HG21      THR   7  -4.699  -6.021  -5.704
   52   HG22  THR   7          HG22      THR   7  -5.329  -6.390  -7.310
   53   HG23  THR   7          HG23      THR   7  -6.393  -5.707  -6.078
   54    H    ALA   8           H        ALA   8  -4.378  -3.489  -9.806
   55    HA   ALA   8           HA       ALA   8  -2.633  -1.286 -10.153
   56    HB1  ALA   8           HB1      ALA   8  -4.034  -0.717 -12.075
   57    HB2  ALA   8           HB2      ALA   8  -5.257  -1.865 -11.528
   58    HB3  ALA   8           HB3      ALA   8  -3.671  -2.443 -12.037
   59    H    GLU   9           H        GLU   9  -5.743  -1.659  -8.656
   60    HA   GLU   9           HA       GLU   9  -6.561   1.028  -8.588
   61    HB2  GLU   9           HB2      GLU   9  -7.135  -1.207  -6.640
   62    HB3  GLU   9           HB3      GLU   9  -7.994   0.327  -6.696
   63    HG2  GLU   9           HG2      GLU   9  -7.965  -1.844  -8.775
   64    HG3  GLU   9           HG3      GLU   9  -9.330  -1.286  -7.807
   65    H    ALA  10           H        ALA  10  -4.579  -0.892  -6.379
   66    HA   ALA  10           HA       ALA  10  -4.245   1.209  -4.471
   67    HB1  ALA  10           HB1      ALA  10  -2.542  -0.240  -3.476
   68    HB2  ALA  10           HB2      ALA  10  -2.616  -1.300  -4.884
   69    HB3  ALA  10           HB3      ALA  10  -4.019  -1.137  -3.829
   70    H    GLU  11           H        GLU  11  -2.418   0.025  -7.240
   71    HA   GLU  11           HA       GLU  11  -0.061   1.496  -6.801
   72    HB2  GLU  11           HB2      GLU  11  -1.240   0.496  -9.398
   73    HB3  GLU  11           HB3      GLU  11   0.407   1.079  -9.194
   74    HG2  GLU  11           HG2      GLU  11   0.856  -0.729  -7.613
   75    HG3  GLU  11           HG3      GLU  11  -0.796  -1.311  -7.817
   76    H    LYS  12           H        LYS  12  -3.099   2.373  -8.322
   77    HA   LYS  12           HA       LYS  12  -2.221   4.744  -9.574
   78    HB2  LYS  12           HB2      LYS  12  -4.936   3.943  -8.526
   79    HB3  LYS  12           HB3      LYS  12  -4.647   5.430  -9.420
   80    HG2  LYS  12           HG2      LYS  12  -3.874   4.122 -11.337
   81    HG3  LYS  12           HG3      LYS  12  -4.176   2.634 -10.439
   82    HD2  LYS  12           HD2      LYS  12  -6.259   4.691 -11.176
   83    HD3  LYS  12           HD3      LYS  12  -5.996   3.155 -12.005
   84    HE2  LYS  12           HE2      LYS  12  -6.486   1.978  -9.885
   85    HE3  LYS  12           HE3      LYS  12  -6.850   3.530  -9.134
   86    HZ1  LYS  12           HZ1      LYS  12  -8.273   2.396 -11.483
   87    HZ2  LYS  12           HZ2      LYS  12  -8.660   3.842 -10.684
   88    HZ3  LYS  12           HZ3      LYS  12  -8.847   2.351  -9.888
   89    H    MET  13           H        MET  13  -3.429   4.106  -6.308
   90    HA   MET  13           HA       MET  13  -3.304   6.887  -5.563
   91    HB2  MET  13           HB2      MET  13  -3.758   4.381  -3.939
   92    HB3  MET  13           HB3      MET  13  -3.751   5.999  -3.248
   93    HG2  MET  13           HG2      MET  13  -5.600   6.617  -4.752
   94    HG3  MET  13           HG3      MET  13  -5.641   4.957  -5.341
   95    HE1  MET  13           HE1      MET  13  -6.696   2.981  -2.129
   96    HE2  MET  13           HE2      MET  13  -5.040   3.328  -2.625
   97    HE3  MET  13           HE3      MET  13  -6.246   2.869  -3.830
   98    H    LEU  14           H        LEU  14  -1.213   4.111  -5.424
   99    HA   LEU  14           HA       LEU  14   0.693   5.186  -3.607
  100    HB2  LEU  14           HB2      LEU  14   0.543   2.787  -4.156
  101    HB3  LEU  14           HB3      LEU  14   1.059   3.131  -5.796
  102    HG   LEU  14           HG       LEU  14   3.231   3.952  -4.903
  103   HD11  LEU  14          HD11      LEU  14   3.839   3.457  -2.600
  104   HD12  LEU  14          HD12      LEU  14   2.206   2.874  -2.281
  105   HD13  LEU  14          HD13      LEU  14   2.474   4.574  -2.664
  106   HD21  LEU  14          HD21      LEU  14   2.467   1.136  -4.151
  107   HD22  LEU  14          HD22      LEU  14   4.115   1.736  -4.337
  108   HD23  LEU  14          HD23      LEU  14   3.031   1.684  -5.729
  109    H    GLY  15           H        GLY  15   0.021   5.649  -6.959
  110    HA2  GLY  15           HA2      GLY  15   2.529   6.711  -7.758
  111    HA3  GLY  15           HA3      GLY  15   0.998   6.933  -8.591
  112    H    LYS  16           H        LYS  16   0.091   7.984  -5.765
  113    HA   LYS  16           HA       LYS  16   0.575  10.759  -6.339
  114    HB2  LYS  16           HB2      LYS  16  -0.626   9.530  -3.852
  115    HB3  LYS  16           HB3      LYS  16  -0.737  11.214  -4.343
  116    HG2  LYS  16           HG2      LYS  16  -1.948  10.394  -6.408
  117    HG3  LYS  16           HG3      LYS  16  -2.047   8.826  -5.604
  118    HD2  LYS  16           HD2      LYS  16  -3.161  11.444  -4.607
  119    HD3  LYS  16           HD3      LYS  16  -4.083  10.070  -5.215
  120    HE2  LYS  16           HE2      LYS  16  -3.368   8.717  -3.346
  121    HE3  LYS  16           HE3      LYS  16  -2.320  10.011  -2.765
  122    HZ1  LYS  16           HZ1      LYS  16  -4.407  11.383  -2.598
  123    HZ2  LYS  16           HZ2      LYS  16  -4.259  10.123  -1.478
  124    HZ3  LYS  16           HZ3      LYS  16  -5.280   9.944  -2.822
  125    H    VAL  17           H        VAL  17   2.216   8.323  -4.730
  126    HA   VAL  17           HA       VAL  17   3.673  10.157  -2.978
  127    HB   VAL  17           HB       VAL  17   3.779   7.140  -3.188
  128   HG11  VAL  17          HG11      VAL  17   5.047   8.967  -1.150
  129   HG12  VAL  17          HG12      VAL  17   5.905   8.110  -2.429
  130   HG13  VAL  17          HG13      VAL  17   5.102   7.204  -1.145
  131   HG21  VAL  17          HG21      VAL  17   1.657   7.949  -2.301
  132   HG22  VAL  17          HG22      VAL  17   2.515   8.917  -1.103
  133   HG23  VAL  17          HG23      VAL  17   2.602   7.156  -1.043
  134    HA   PRO  18           HA       PRO  18   6.821  10.602  -6.126
  135    HB2  PRO  18           HB2      PRO  18   8.463  11.325  -3.755
  136    HB3  PRO  18           HB3      PRO  18   8.195  12.223  -5.253
  137    HG2  PRO  18           HG2      PRO  18   7.020  12.977  -2.985
  138    HG3  PRO  18           HG3      PRO  18   6.159  13.072  -4.534
  139    HD2  PRO  18           HD2      PRO  18   5.892  11.070  -2.331
  140    HD3  PRO  18           HD3      PRO  18   4.638  11.787  -3.366
  141    H    PHE  19           H        PHE  19   8.512   9.450  -6.866
  142    HA   PHE  19           HA       PHE  19   8.659   6.793  -6.062
  143    HB2  PHE  19           HB2      PHE  19   9.241   7.912  -8.317
  144    HB3  PHE  19           HB3      PHE  19  10.849   8.121  -7.628
  145    HD1  PHE  19           HD1      PHE  19   8.285   5.449  -7.870
  146    HD2  PHE  19           HD2      PHE  19  12.384   6.521  -8.207
  147    HE1  PHE  19           HE1      PHE  19   8.827   3.138  -8.532
  148    HE2  PHE  19           HE2      PHE  19  12.942   4.214  -8.869
  149    HZ   PHE  19           HZ       PHE  19  11.161   2.518  -9.033
  150    H    PHE  20           H        PHE  20  10.600   9.524  -5.101
  151    HA   PHE  20           HA       PHE  20  12.882   8.269  -4.132
  152    HB2  PHE  20           HB2      PHE  20  11.495  10.669  -2.917
  153    HB3  PHE  20           HB3      PHE  20  13.179  10.215  -2.689
  154    HD1  PHE  20           HD2      PHE  20  14.618  10.082  -4.858
  155    HD2  PHE  20           HD1      PHE  20  10.936  12.191  -4.541
  156    HE1  PHE  20           HE2      PHE  20  15.246  11.460  -6.799
  157    HE2  PHE  20           HE1      PHE  20  11.556  13.571  -6.483
  158    HZ   PHE  20           HZ       PHE  20  13.714  13.207  -7.612
  159    H    VAL  21           H        VAL  21   9.750   8.785  -2.564
  160    HA   VAL  21           HA       VAL  21  10.718   7.213  -0.268
  161    HB   VAL  21           HB       VAL  21   8.981   8.310   1.081
  162   HG11  VAL  21          HG11      VAL  21  10.796  10.218  -0.394
  163   HG12  VAL  21          HG12      VAL  21  11.203   9.277   1.042
  164   HG13  VAL  21          HG13      VAL  21   9.994  10.556   1.142
  165   HG21  VAL  21          HG21      VAL  21   7.760  10.246   0.183
  166   HG22  VAL  21          HG22      VAL  21   7.347   8.760  -0.673
  167   HG23  VAL  21          HG23      VAL  21   8.443   9.928  -1.411
  168    H    ARG  22           H        ARG  22   8.875   6.959  -2.975
  169    HA   ARG  22           HA       ARG  22   6.500   5.749  -2.134
  170    HB2  ARG  22           HB2      ARG  22   6.975   6.506  -4.459
  171    HB3  ARG  22           HB3      ARG  22   8.057   5.135  -4.654
  172    HG2  ARG  22           HG2      ARG  22   6.175   3.609  -4.291
  173    HG3  ARG  22           HG3      ARG  22   5.094   4.995  -4.129
  174    HD2  ARG  22           HD2      ARG  22   6.704   4.258  -6.572
  175    HD3  ARG  22           HD3      ARG  22   4.967   4.046  -6.368
  176    HE   ARG  22           HE       ARG  22   5.333   6.702  -5.953
  177   HH11  ARG  22          HH11      ARG  22   6.157   4.496  -8.549
  178   HH12  ARG  22          HH12      ARG  22   6.145   5.733  -9.773
  179   HH21  ARG  22          HH21      ARG  22   5.295   8.319  -7.557
  180   HH22  ARG  22          HH22      ARG  22   5.660   7.911  -9.210
  181    H    LYS  23           H        LYS  23   9.709   4.430  -2.659
  182    HA   LYS  23           HA       LYS  23   9.124   1.704  -2.428
  183    HB2  LYS  23           HB2      LYS  23  11.604   3.202  -1.572
  184    HB3  LYS  23           HB3      LYS  23  11.491   1.457  -1.739
  185    HG2  LYS  23           HG2      LYS  23  11.089   3.429  -3.976
  186    HG3  LYS  23           HG3      LYS  23  12.585   2.554  -3.650
  187    HD2  LYS  23           HD2      LYS  23  11.355   0.426  -3.943
  188    HD3  LYS  23           HD3      LYS  23   9.916   1.352  -4.377
  189    HE2  LYS  23           HE2      LYS  23  11.093   0.558  -6.364
  190    HE3  LYS  23           HE3      LYS  23  11.098   2.318  -6.277
  191    HZ1  LYS  23           HZ1      LYS  23  13.354   2.235  -5.416
  192    HZ2  LYS  23           HZ2      LYS  23  13.261   1.451  -6.918
  193    HZ3  LYS  23           HZ3      LYS  23  13.348   0.540  -5.493
  194    H    LYS  24           H        LYS  24   9.783   4.156   0.022
  195    HA   LYS  24           HA       LYS  24   9.847   2.308   2.192
  196    HB2  LYS  24           HB2      LYS  24   9.590   5.315   2.123
  197    HB3  LYS  24           HB3      LYS  24   9.737   4.378   3.605
  198    HG2  LYS  24           HG2      LYS  24  11.902   3.538   2.875
  199    HG3  LYS  24           HG3      LYS  24  11.755   4.449   1.372
  200    HD2  LYS  24           HD2      LYS  24  11.717   6.538   2.645
  201    HD3  LYS  24           HD3      LYS  24  11.858   5.624   4.149
  202    HE2  LYS  24           HE2      LYS  24  14.017   4.740   3.405
  203    HE3  LYS  24           HE3      LYS  24  13.874   5.654   1.905
  204    HZ1  LYS  24           HZ1      LYS  24  15.284   6.795   3.475
  205    HZ2  LYS  24           HZ2      LYS  24  14.049   6.804   4.637
  206    HZ3  LYS  24           HZ3      LYS  24  13.873   7.700   3.208
  207    H    VAL  25           H        VAL  25   7.385   4.447   0.821
  208    HA   VAL  25           HA       VAL  25   5.380   3.897   2.739
  209    HB   VAL  25           HB       VAL  25   5.056   4.641  -0.178
  210   HG11  VAL  25          HG11      VAL  25   3.013   3.666   0.739
  211   HG12  VAL  25          HG12      VAL  25   2.814   5.393   0.449
  212   HG13  VAL  25          HG13      VAL  25   3.069   4.796   2.090
  213   HG21  VAL  25          HG21      VAL  25   4.762   6.923   0.654
  214   HG22  VAL  25          HG22      VAL  25   6.348   6.281   1.085
  215   HG23  VAL  25          HG23      VAL  25   5.072   6.366   2.299
  216    H    ARG  26           H        ARG  26   6.240   2.388  -0.333
  217    HA   ARG  26           HA       ARG  26   4.288   0.376  -0.390
  218    HB2  ARG  26           HB2      ARG  26   5.712   0.957  -2.298
  219    HB3  ARG  26           HB3      ARG  26   7.126   0.370  -1.437
  220    HG2  ARG  26           HG2      ARG  26   6.252  -1.897  -1.514
  221    HG3  ARG  26           HG3      ARG  26   4.793  -1.316  -2.325
  222    HD2  ARG  26           HD2      ARG  26   6.091  -0.559  -4.212
  223    HD3  ARG  26           HD3      ARG  26   7.590  -0.983  -3.396
  224    HE   ARG  26           HE       ARG  26   6.118  -3.315  -3.536
  225   HH11  ARG  26          HH11      ARG  26   7.442  -0.991  -5.808
  226   HH12  ARG  26          HH12      ARG  26   7.725  -2.173  -7.048
  227   HH21  ARG  26          HH21      ARG  26   6.481  -4.877  -5.194
  228   HH22  ARG  26          HH22      ARG  26   7.155  -4.358  -6.709
  229    H    LYS  27           H        LYS  27   7.459   0.519   1.144
  230    HA   LYS  27           HA       LYS  27   7.487  -2.119   2.161
  231    HB2  LYS  27           HB2      LYS  27   9.510  -0.760   2.009
  232    HB3  LYS  27           HB3      LYS  27   8.844   0.392   3.159
  233    HG2  LYS  27           HG2      LYS  27   8.863  -1.325   4.893
  234    HG3  LYS  27           HG3      LYS  27   9.545  -2.475   3.740
  235    HD2  LYS  27           HD2      LYS  27  11.523  -1.088   3.487
  236    HD3  LYS  27           HD3      LYS  27  10.834   0.126   4.567
  237    HE2  LYS  27           HE2      LYS  27  10.855  -1.476   6.401
  238    HE3  LYS  27           HE3      LYS  27  11.499  -2.716   5.325
  239    HZ1  LYS  27           HZ1      LYS  27  13.498  -1.434   5.043
  240    HZ2  LYS  27           HZ2      LYS  27  13.215  -1.666   6.701
  241    HZ3  LYS  27           HZ3      LYS  27  12.874  -0.165   5.985
  242    H    ASN  28           H        ASN  28   6.208   0.932   3.399
  243    HA   ASN  28           HA       ASN  28   5.548  -0.025   5.983
  244    HB2  ASN  28           HB2      ASN  28   4.662   2.328   4.350
  245    HB3  ASN  28           HB3      ASN  28   3.804   1.925   5.833
  246   HD21  ASN  28          HD21      ASN  28   7.243   1.419   5.378
  247   HD22  ASN  28          HD22      ASN  28   7.752   2.618   6.511
  248    H    THR  29           H        THR  29   3.691   0.178   2.952
  249    HA   THR  29           HA       THR  29   1.333  -0.977   4.011
  250    HB   THR  29           HB       THR  29   1.048  -1.691   1.507
  251    HG1  THR  29           HG1      THR  29   3.295  -1.216   1.018
  252   HG21  THR  29          HG21      THR  29   1.088   1.205   2.355
  253   HG22  THR  29          HG22      THR  29  -0.238   0.069   2.610
  254   HG23  THR  29          HG23      THR  29   0.213   0.543   0.972
  255    H    ASP  30           H        ASP  30   4.246  -2.337   2.583
  256    HA   ASP  30           HA       ASP  30   3.511  -5.012   2.371
  257    HB2  ASP  30           HB2      ASP  30   5.633  -4.307   1.513
  258    HB3  ASP  30           HB3      ASP  30   6.147  -3.706   3.083
  259    H    ASN  31           H        ASN  31   4.773  -3.224   5.137
  260    HA   ASN  31           HA       ASN  31   4.596  -5.421   6.940
  261    HB2  ASN  31           HB2      ASN  31   5.050  -2.473   7.283
  262    HB3  ASN  31           HB3      ASN  31   4.782  -3.507   8.682
  263   HD21  ASN  31          HD21      ASN  31   6.912  -2.777   6.018
  264   HD22  ASN  31          HD22      ASN  31   8.286  -3.629   6.638
  265    H    TYR  32           H        TYR  32   2.383  -2.874   5.945
  266    HA   TYR  32           HA       TYR  32   0.594  -3.235   8.149
  267    HB2  TYR  32           HB2      TYR  32   0.589  -1.114   6.960
  268    HB3  TYR  32           HB3      TYR  32   0.138  -1.925   5.461
  269    HD1  TYR  32           HD1      TYR  32  -1.063  -1.430   8.954
  270    HD2  TYR  32           HD2      TYR  32  -2.116  -2.066   4.883
  271    HE1  TYR  32           HE1      TYR  32  -3.436  -1.179   9.537
  272    HE2  TYR  32           HE2      TYR  32  -4.497  -1.809   5.452
  273    HH   TYR  32           HH       TYR  32  -5.931  -2.113   7.539
  274    H    ALA  33           H        ALA  33   0.623  -4.344   4.784
  275    HA   ALA  33           HA       ALA  33  -1.829  -5.718   4.863
  276    HB1  ALA  33           HB1      ALA  33  -1.030  -6.890   2.879
  277    HB2  ALA  33           HB2      ALA  33   0.605  -6.304   3.183
  278    HB3  ALA  33           HB3      ALA  33  -0.679  -5.164   2.780
  279    H    ARG  34           H        ARG  34   1.473  -6.726   5.584
  280    HA   ARG  34           HA       ARG  34   0.792  -9.409   6.234
  281    HB2  ARG  34           HB2      ARG  34   3.184  -7.685   6.433
  282    HB3  ARG  34           HB3      ARG  34   3.103  -9.025   7.572
  283    HG2  ARG  34           HG2      ARG  34   2.965 -10.616   5.843
  284    HG3  ARG  34           HG3      ARG  34   2.693  -9.373   4.624
  285    HD2  ARG  34           HD2      ARG  34   4.928  -8.617   4.757
  286    HD3  ARG  34           HD3      ARG  34   5.219  -9.513   6.251
  287    HE   ARG  34           HE       ARG  34   5.103 -11.557   4.939
  288   HH11  ARG  34          HH11      ARG  34   5.585  -8.564   3.154
  289   HH12  ARG  34          HH12      ARG  34   6.247  -9.375   1.773
  290   HH21  ARG  34          HH21      ARG  34   5.980 -12.593   3.116
  291   HH22  ARG  34          HH22      ARG  34   6.487 -11.647   1.742
  292    H    GLU  35           H        GLU  35   0.622  -6.418   7.932
  293    HA   GLU  35           HA       GLU  35   0.581  -7.492  10.562
  294    HB2  GLU  35           HB2      GLU  35   1.078  -5.124  10.118
  295    HB3  GLU  35           HB3      GLU  35  -0.545  -4.892   9.487
  296    HG2  GLU  35           HG2      GLU  35  -1.450  -5.430  11.719
  297    HG3  GLU  35           HG3      GLU  35   0.201  -5.554  12.327
  298    H    ILE  36           H        ILE  36  -1.865  -6.738   8.145
  299    HA   ILE  36           HA       ILE  36  -4.001  -7.633   9.912
  300    HB   ILE  36           HB       ILE  36  -5.528  -6.993   8.077
  301   HG12  ILE  36          HG12      ILE  36  -2.998  -6.074   6.691
  302   HG13  ILE  36          HG13      ILE  36  -4.010  -7.421   6.182
  303   HG21  ILE  36          HG21      ILE  36  -3.531  -4.895   8.910
  304   HG22  ILE  36          HG22      ILE  36  -4.977  -5.383   9.794
  305   HG23  ILE  36          HG23      ILE  36  -5.128  -4.564   8.239
  306   HD11  ILE  36          HD11      ILE  36  -4.854  -4.531   6.281
  307   HD12  ILE  36          HD12      ILE  36  -5.846  -5.885   5.739
  308   HD13  ILE  36          HD13      ILE  36  -4.402  -5.431   4.834
  309    H    GLY  37           H        GLY  37  -1.874  -9.054   7.788
  310    HA2  GLY  37           HA2      GLY  37  -1.713 -11.345   7.403
  311    HA3  GLY  37           HA3      GLY  37  -3.374 -11.527   7.938
  312    H    GLU  38           H        GLU  38  -3.067  -9.083   5.624
  313    HA   GLU  38           HA       GLU  38  -4.290 -10.857   3.629
  314    HB2  GLU  38           HB2      GLU  38  -4.312  -7.845   3.906
  315    HB3  GLU  38           HB3      GLU  38  -5.046  -8.717   2.568
  316    HG2  GLU  38           HG2      GLU  38  -5.812  -9.204   5.430
  317    HG3  GLU  38           HG3      GLU  38  -6.587  -7.980   4.427
  318    HA   PRO  39           HA       PRO  39  -0.332 -10.426   1.546
  319    HB2  PRO  39           HB2      PRO  39  -1.176 -12.540  -0.218
  320    HB3  PRO  39           HB3      PRO  39   0.007 -12.612   1.089
  321    HG2  PRO  39           HG2      PRO  39  -2.409 -13.910   1.136
  322    HG3  PRO  39           HG3      PRO  39  -1.517 -13.421   2.588
  323    HD2  PRO  39           HD2      PRO  39  -3.838 -12.083   1.245
  324    HD3  PRO  39           HD3      PRO  39  -3.517 -12.314   2.980
  325    H    VAL  40           H        VAL  40  -3.361  -9.638   0.479
  326    HA   VAL  40           HA       VAL  40  -2.370  -8.846  -2.182
  327    HB   VAL  40           HB       VAL  40  -5.238  -9.449  -1.419
  328   HG11  VAL  40          HG11      VAL  40  -5.675  -9.246  -3.831
  329   HG12  VAL  40          HG12      VAL  40  -4.003  -8.747  -4.078
  330   HG13  VAL  40          HG13      VAL  40  -5.091  -7.737  -3.129
  331   HG21  VAL  40          HG21      VAL  40  -3.325 -11.034  -3.130
  332   HG22  VAL  40          HG22      VAL  40  -5.027 -11.411  -2.863
  333   HG23  VAL  40          HG23      VAL  40  -3.885 -11.483  -1.520
  334    H    VAL  41           H        VAL  41  -2.154  -6.736  -2.417
  335    HA   VAL  41           HA       VAL  41  -3.456  -4.952  -0.499
  336    HB   VAL  41           HB       VAL  41  -1.238  -4.356  -2.471
  337   HG11  VAL  41          HG11      VAL  41  -2.374  -2.675  -0.236
  338   HG12  VAL  41          HG12      VAL  41  -2.562  -2.377  -1.965
  339   HG13  VAL  41          HG13      VAL  41  -0.967  -2.265  -1.219
  340   HG21  VAL  41          HG21      VAL  41  -0.499  -5.883  -0.727
  341   HG22  VAL  41          HG22      VAL  41  -1.139  -4.805   0.512
  342   HG23  VAL  41          HG23      VAL  41   0.216  -4.288  -0.490
  343    H    THR  42           H        THR  42  -5.468  -4.592  -1.209
  344    HA   THR  42           HA       THR  42  -5.928  -3.776  -3.974
  345    HB   THR  42           HB       THR  42  -8.334  -3.711  -3.230
  346    HG1  THR  42           HG1      THR  42  -8.046  -5.242  -1.033
  347   HG21  THR  42          HG21      THR  42  -7.393  -5.682  -4.345
  348   HG22  THR  42          HG22      THR  42  -8.595  -6.146  -3.141
  349   HG23  THR  42          HG23      THR  42  -6.876  -6.322  -2.787
  350    H    ALA  43           H        ALA  43  -7.716  -1.903  -4.030
  351    HA   ALA  43           HA       ALA  43  -6.582   0.483  -3.065
  352    HB1  ALA  43           HB1      ALA  43  -9.446  -0.036  -3.876
  353    HB2  ALA  43           HB2      ALA  43  -8.133   0.409  -4.966
  354    HB3  ALA  43           HB3      ALA  43  -8.679   1.547  -3.733
  355    H    ASP  44           H        ASP  44  -8.881  -1.758  -1.711
  356    HA   ASP  44           HA       ASP  44  -9.817  -0.114   0.400
  357    HB2  ASP  44           HB2      ASP  44  -9.703  -3.137   0.234
  358    HB3  ASP  44           HB3      ASP  44 -10.646  -2.210   1.397
  359    H    VAL  45           H        VAL  45  -7.244  -2.535   0.166
  360    HA   VAL  45           HA       VAL  45  -6.430  -2.403   2.865
  361    HB   VAL  45           HB       VAL  45  -4.786  -3.139   0.435
  362   HG11  VAL  45          HG11      VAL  45  -3.363  -2.607   2.334
  363   HG12  VAL  45          HG12      VAL  45  -3.352  -4.344   2.023
  364   HG13  VAL  45          HG13      VAL  45  -4.301  -3.693   3.359
  365   HG21  VAL  45          HG21      VAL  45  -5.314  -5.449   1.036
  366   HG22  VAL  45          HG22      VAL  45  -6.775  -4.527   0.679
  367   HG23  VAL  45          HG23      VAL  45  -6.337  -4.872   2.352
  368    H    PHE  46           H        PHE  46  -5.266  -0.701  -0.040
  369    HA   PHE  46           HA       PHE  46  -3.241   0.762   1.290
  370    HB2  PHE  46           HB2      PHE  46  -3.502   0.411  -1.225
  371    HB3  PHE  46           HB3      PHE  46  -4.717   1.684  -1.177
  372    HD1  PHE  46           HD2      PHE  46  -4.066   4.004  -0.641
  373    HD2  PHE  46           HD1      PHE  46  -1.182   0.902  -1.049
  374    HE1  PHE  46           HE2      PHE  46  -2.288   5.688  -0.851
  375    HE2  PHE  46           HE1      PHE  46   0.601   2.583  -1.260
  376    HZ   PHE  46           HZ       PHE  46   0.050   4.978  -1.159
  377    H    ARG  47           H        ARG  47  -6.653   1.356   0.698
  378    HA   ARG  47           HA       ARG  47  -6.826   4.010   1.565
  379    HB2  ARG  47           HB2      ARG  47  -8.659   2.750   0.453
  380    HB3  ARG  47           HB3      ARG  47  -8.872   1.812   1.924
  381    HG2  ARG  47           HG2      ARG  47  -9.331   3.993   3.104
  382    HG3  ARG  47           HG3      ARG  47  -9.398   4.736   1.504
  383    HD2  ARG  47           HD2      ARG  47 -11.153   2.535   2.575
  384    HD3  ARG  47           HD3      ARG  47 -11.627   4.188   2.192
  385    HE   ARG  47           HE       ARG  47 -10.721   2.287   0.126
  386   HH11  ARG  47          HH11      ARG  47 -12.922   4.752   1.285
  387   HH12  ARG  47          HH12      ARG  47 -13.945   4.665  -0.120
  388   HH21  ARG  47          HH21      ARG  47 -12.034   2.193  -1.731
  389   HH22  ARG  47          HH22      ARG  47 -13.425   3.232  -1.844
  390    H    LYS  48           H        LYS  48  -7.307   0.981   3.369
  391    HA   LYS  48           HA       LYS  48  -7.691   2.175   5.879
  392    HB2  LYS  48           HB2      LYS  48  -6.722  -0.584   5.142
  393    HB3  LYS  48           HB3      LYS  48  -7.059  -0.084   6.794
  394    HG2  LYS  48           HG2      LYS  48  -9.388   0.510   5.981
  395    HG3  LYS  48           HG3      LYS  48  -8.981  -0.383   4.512
  396    HD2  LYS  48           HD2      LYS  48  -8.556  -2.386   5.815
  397    HD3  LYS  48           HD3      LYS  48  -8.855  -1.499   7.312
  398    HE2  LYS  48           HE2      LYS  48 -11.164  -1.031   6.465
  399    HE3  LYS  48           HE3      LYS  48 -10.825  -2.133   5.130
  400    HZ1  LYS  48           HZ1      LYS  48 -10.749  -2.850   8.011
  401    HZ2  LYS  48           HZ2      LYS  48 -10.467  -3.907   6.717
  402    HZ3  LYS  48           HZ3      LYS  48 -12.004  -3.231   6.939
  403    H    ALA  49           H        ALA  49  -4.783   1.253   4.158
  404    HA   ALA  49           HA       ALA  49  -2.915   1.492   6.212
  405    HB1  ALA  49           HB1      ALA  49  -2.565   2.275   3.320
  406    HB2  ALA  49           HB2      ALA  49  -2.373   0.649   3.977
  407    HB3  ALA  49           HB3      ALA  49  -1.273   1.936   4.474
  408    H    LYS  50           H        LYS  50  -4.360   3.973   4.138
  409    HA   LYS  50           HA       LYS  50  -2.883   6.154   5.179
  410    HB2  LYS  50           HB2      LYS  50  -5.526   5.981   3.738
  411    HB3  LYS  50           HB3      LYS  50  -4.843   7.514   4.257
  412    HG2  LYS  50           HG2      LYS  50  -3.105   5.728   2.659
  413    HG3  LYS  50           HG3      LYS  50  -4.449   6.510   1.830
  414    HD2  LYS  50           HD2      LYS  50  -2.395   7.832   1.660
  415    HD3  LYS  50           HD3      LYS  50  -3.646   8.696   2.552
  416    HE2  LYS  50           HE2      LYS  50  -2.580   8.069   4.660
  417    HE3  LYS  50           HE3      LYS  50  -1.347   7.171   3.778
  418    HZ1  LYS  50           HZ1      LYS  50  -0.691   9.451   4.517
  419    HZ2  LYS  50           HZ2      LYS  50  -1.801  10.080   3.405
  420    HZ3  LYS  50           HZ3      LYS  50  -0.485   9.154   2.862
  421    H    GLU  51           H        GLU  51  -5.806   4.536   6.220
  422    HA   GLU  51           HA       GLU  51  -6.522   6.537   8.153
  423    HB2  GLU  51           HB2      GLU  51  -7.434   3.660   8.024
  424    HB3  GLU  51           HB3      GLU  51  -8.231   4.988   8.858
  425    HG2  GLU  51           HG2      GLU  51  -8.662   6.074   6.710
  426    HG3  GLU  51           HG3      GLU  51  -7.884   4.726   5.881
  427    H    HIS  52           H        HIS  52  -4.748   3.510   8.171
  428    HA   HIS  52           HA       HIS  52  -4.566   3.376  11.043
  429    HB2  HIS  52           HB2      HIS  52  -4.669   1.395   9.482
  430    HB3  HIS  52           HB3      HIS  52  -3.018   1.765   9.013
  431    HD1  HIS  52           HD1      HIS  52  -5.043   0.646  11.986
  432    HD2  HIS  52           HD2      HIS  52  -1.087   0.793  10.711
  433    HE1  HIS  52           HE1      HIS  52  -3.748  -0.744  13.633
  434    HE2  HIS  52           HE2      HIS  52  -1.425  -0.863  12.668
  435    H    LEU  53           H        LEU  53  -2.394   4.236   8.380
  436    HA   LEU  53           HA       LEU  53  -0.211   4.710  10.245
  437    HB2  LEU  53           HB2      LEU  53  -0.339   5.046   7.247
  438    HB3  LEU  53           HB3      LEU  53   1.105   5.231   8.225
  439    HG   LEU  53           HG       LEU  53  -0.462   2.672   7.889
  440   HD11  LEU  53          HD11      LEU  53   1.466   1.904   6.613
  441   HD12  LEU  53          HD12      LEU  53   2.214   3.493   6.774
  442   HD13  LEU  53          HD13      LEU  53   0.719   3.311   5.855
  443   HD21  LEU  53          HD21      LEU  53   1.422   1.636   9.059
  444   HD22  LEU  53          HD22      LEU  53   0.591   2.815  10.072
  445   HD23  LEU  53          HD23      LEU  53   2.130   3.229   9.321
  446    H    GLY  54           H        GLY  54  -2.531   6.510   8.350
  447    HA2  GLY  54           HA2      GLY  54  -1.254   9.044   9.082
  448    HA3  GLY  54           HA3      GLY  54  -2.589   8.845   7.954
  449    H    GLY  55           H        GLY  55  -4.688   8.245   8.868
  450    HA2  GLY  55           HA2      GLY  55  -6.329   8.201  10.489
  451    HA3  GLY  55           HA3      GLY  55  -5.086   8.432  11.709
  452    H    LEU  56           H        LEU  56  -3.992  10.762  11.283
  453    HA   LEU  56           HA       LEU  56  -5.756  12.570  12.396
  454    HB2  LEU  56           HB2      LEU  56  -3.238  13.119  10.832
  455    HB3  LEU  56           HB3      LEU  56  -4.081  14.316  11.795
  456    HG   LEU  56           HG       LEU  56  -2.809  11.790  12.860
  457   HD11  LEU  56          HD11      LEU  56  -1.969  14.673  13.107
  458   HD12  LEU  56          HD12      LEU  56  -1.174  13.445  12.123
  459   HD13  LEU  56          HD13      LEU  56  -1.189  13.293  13.880
  460   HD21  LEU  56          HD21      LEU  56  -4.108  14.091  14.319
  461   HD22  LEU  56          HD22      LEU  56  -3.299  12.710  15.060
  462   HD23  LEU  56          HD23      LEU  56  -4.784  12.473  14.141
  463    H    GLU  57           H        GLU  57  -4.543  12.720   9.027
  464    HA   GLU  57           HA       GLU  57  -6.990  14.231   8.404
  465    HB2  GLU  57           HB2      GLU  57  -4.209  14.655   7.326
  466    HB3  GLU  57           HB3      GLU  57  -5.649  15.405   6.649
  467    HG2  GLU  57           HG2      GLU  57  -6.081  16.475   8.821
  468    HG3  GLU  57           HG3      GLU  57  -4.584  15.774   9.438
  469    H    HIS  58           H        HIS  58  -7.943  13.952   6.433
  470    HA   HIS  58           HA       HIS  58  -6.961  11.911   4.624
  471    HB2  HIS  58           HB2      HIS  58  -9.314  10.821   4.688
  472    HB3  HIS  58           HB3      HIS  58  -8.154  10.390   5.935
  473    HD1  HIS  58           HD1      HIS  58 -11.230  12.548   5.440
  474    HD2  HIS  58           HD2      HIS  58  -8.987  10.860   8.503
  475    HE1  HIS  58           HE1      HIS  58 -12.573  12.900   7.532
  476    HE2  HIS  58           HE2      HIS  58 -11.276  11.723   9.346
  477    H    HIS  59           H        HIS  59  -6.778  13.693   3.241
  478    HA   HIS  59           HA       HIS  59  -9.160  15.280   2.722
  479    HB2  HIS  59           HB2      HIS  59  -6.314  15.556   1.738
  480    HB3  HIS  59           HB3      HIS  59  -7.627  16.622   1.256
  481    HD1  HIS  59           HD1      HIS  59  -8.448  18.359   2.968
  482    HD2  HIS  59           HD2      HIS  59  -5.358  15.936   4.358
  483    HE1  HIS  59           HE1      HIS  59  -7.625  19.442   5.090
  484    HE2  HIS  59           HE2      HIS  59  -5.789  17.939   5.945
  485    H    HIS  60           H        HIS  60 -10.534  14.074   1.563
  486    HA   HIS  60           HA       HIS  60  -9.817  13.675  -1.227
  487    HB2  HIS  60           HB2      HIS  60  -9.438  11.476  -0.073
  488    HB3  HIS  60           HB3      HIS  60 -11.137  11.479   0.390
  489    HD1  HIS  60           HD1      HIS  60  -9.027  11.512  -2.779
  490    HD2  HIS  60           HD2      HIS  60 -12.786  10.339  -1.428
  491    HE1  HIS  60           HE1      HIS  60 -10.088  10.272  -4.701
  492    HE2  HIS  60           HE2      HIS  60 -12.301   9.442  -3.806
  493    H    HIS  61           H        HIS  61 -11.305  14.669  -2.372
  494    HA   HIS  61           HA       HIS  61 -13.798  15.422  -1.053
  495    HB2  HIS  61           HB2      HIS  61 -12.274  17.110  -2.168
  496    HB3  HIS  61           HB3      HIS  61 -12.726  16.388  -3.708
  497    HD1  HIS  61           HD1      HIS  61 -13.907  18.702  -1.075
  498    HD2  HIS  61           HD2      HIS  61 -15.422  16.884  -4.499
  499    HE1  HIS  61           HE1      HIS  61 -16.028  19.942  -1.626
  500    HE2  HIS  61           HE2      HIS  61 -16.824  18.943  -3.800
  501    H    HIS  62           H        HIS  62 -15.554  14.271  -1.392
  502    HA   HIS  62           HA       HIS  62 -15.735  12.393  -3.575
  503    HB2  HIS  62           HB2      HIS  62 -16.648  11.825  -1.364
  504    HB3  HIS  62           HB3      HIS  62 -17.763  13.184  -1.469
  505    HD1  HIS  62           HD1      HIS  62 -19.808  12.931  -3.056
  506    HD2  HIS  62           HD2      HIS  62 -17.400   9.545  -2.802
  507    HE1  HIS  62           HE1      HIS  62 -21.148  11.066  -4.077
  508    HE2  HIS  62           HE2      HIS  62 -19.748   8.999  -3.759
  509    H    HIS  63           H        HIS  63 -16.519  12.832  -5.525
  510    HA   HIS  63           HA       HIS  63 -18.748  14.618  -5.885
  511    HB2  HIS  63           HB2      HIS  63 -16.751  16.152  -5.848
  512    HB3  HIS  63           HB3      HIS  63 -16.135  15.295  -7.255
  513    HD1  HIS  63           HD1      HIS  63 -16.758  16.273  -9.436
  514    HD2  HIS  63           HD2      HIS  63 -19.408  17.372  -6.423
  515    HE1  HIS  63           HE1      HIS  63 -18.349  17.905 -10.493
  516    HE2  HIS  63           HE2      HIS  63 -19.839  18.687  -8.611
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1   3.686 -16.806   2.259
    2    H2   MET   1           H2       MET   1   2.007 -16.799   2.036
    3    H3   MET   1           H3       MET   1   2.910 -15.410   1.693
    4    HA   MET   1           HA       MET   1   3.026 -17.994   0.255
    5    HB2  MET   1           HB2      MET   1   1.035 -16.653  -0.249
    6    HB3  MET   1           HB3      MET   1   2.047 -15.260  -0.599
    7    HG2  MET   1           HG2      MET   1   3.047 -16.463  -2.479
    8    HG3  MET   1           HG3      MET   1   2.018 -17.851  -2.130
    9    HE1  MET   1           HE1      MET   1   0.411 -13.742  -3.499
   10    HE2  MET   1           HE2      MET   1   2.122 -14.090  -3.246
   11    HE3  MET   1           HE3      MET   1   1.018 -14.043  -1.870
   12    H    GLY   2           H        GLY   2   4.246 -14.666   0.495
   13    HA2  GLY   2           HA2      GLY   2   6.894 -15.083   0.188
   14    HA3  GLY   2           HA3      GLY   2   6.314 -15.162  -1.471
   15    H    GLU   3           H        GLU   3   5.653 -13.319  -2.502
   16    HA   GLU   3           HA       GLU   3   6.205 -10.807  -1.072
   17    HB2  GLU   3           HB2      GLU   3   7.128 -11.701  -3.511
   18    HB3  GLU   3           HB3      GLU   3   5.779 -10.678  -3.977
   19    HG2  GLU   3           HG2      GLU   3   7.994  -9.765  -2.160
   20    HG3  GLU   3           HG3      GLU   3   8.025  -9.568  -3.910
   21    H    LEU   4           H        LEU   4   4.714  -9.013  -1.432
   22    HA   LEU   4           HA       LEU   4   1.988  -9.952  -1.298
   23    HB2  LEU   4           HB2      LEU   4   3.012  -7.116  -1.267
   24    HB3  LEU   4           HB3      LEU   4   1.413  -7.647  -0.797
   25    HG   LEU   4           HG       LEU   4   3.977  -8.328   0.643
   26   HD11  LEU   4          HD11      LEU   4   1.712  -6.482   1.393
   27   HD12  LEU   4          HD12      LEU   4   3.346  -5.999   0.933
   28   HD13  LEU   4          HD13      LEU   4   3.083  -6.906   2.423
   29   HD21  LEU   4          HD21      LEU   4   2.524  -9.303   2.340
   30   HD22  LEU   4          HD22      LEU   4   2.324 -10.119   0.787
   31   HD23  LEU   4          HD23      LEU   4   1.114  -8.960   1.339
   32    H    SER   5           H        SER   5   0.264  -8.982  -2.586
   33    HA   SER   5           HA       SER   5   1.181  -8.434  -5.333
   34    HB2  SER   5           HB2      SER   5  -1.374  -9.783  -4.441
   35    HB3  SER   5           HB3      SER   5  -0.854  -9.537  -6.107
   36    HG   SER   5           HG       SER   5   0.891 -10.854  -4.374
   37    H    TRP   6           H        TRP   6   1.005  -6.298  -5.624
   38    HA   TRP   6           HA       TRP   6  -1.115  -4.767  -4.405
   39    HB2  TRP   6           HB2      TRP   6   1.150  -4.089  -6.267
   40    HB3  TRP   6           HB3      TRP   6  -0.103  -2.914  -5.878
   41    HD1  TRP   6           HD1      TRP   6   2.249  -5.235  -3.805
   42    HE1  TRP   6           HE1      TRP   6   3.107  -3.868  -1.801
   43    HE3  TRP   6           HE3      TRP   6  -0.222  -0.851  -4.700
   44    HZ2  TRP   6           HZ2      TRP   6   2.788  -1.269  -0.748
   45    HZ3  TRP   6           HZ3      TRP   6   0.113   1.032  -3.149
   46    HH2  TRP   6           HH2      TRP   6   1.587   0.824  -1.212
   47    H    THR   7           H        THR   7  -2.890  -3.936  -5.360
   48    HA   THR   7           HA       THR   7  -3.711  -5.123  -7.875
   49    HB   THR   7           HB       THR   7  -5.887  -3.965  -7.386
   50    HG1  THR   7           HG1      THR   7  -4.689  -3.413  -4.855
   51   HG21  THR   7          HG21      THR   7  -5.550  -6.278  -6.721
   52   HG22  THR   7          HG22      THR   7  -6.485  -5.426  -5.490
   53   HG23  THR   7          HG23      THR   7  -4.772  -5.756  -5.228
   54    H    ALA   8           H        ALA   8  -4.737  -3.785  -9.540
   55    HA   ALA   8           HA       ALA   8  -3.111  -1.747 -10.506
   56    HB1  ALA   8           HB1      ALA   8  -4.878  -1.305 -12.116
   57    HB2  ALA   8           HB2      ALA   8  -6.019  -2.224 -11.134
   58    HB3  ALA   8           HB3      ALA   8  -4.655  -3.041 -11.897
   59    H    GLU   9           H        GLU   9  -6.002  -1.586  -8.524
   60    HA   GLU   9           HA       GLU   9  -6.375   1.206  -8.628
   61    HB2  GLU   9           HB2      GLU   9  -7.227  -0.855  -6.599
   62    HB3  GLU   9           HB3      GLU   9  -7.740   0.826  -6.555
   63    HG2  GLU   9           HG2      GLU   9  -8.251  -1.081  -8.825
   64    HG3  GLU   9           HG3      GLU   9  -9.414  -0.642  -7.573
   65    H    ALA  10           H        ALA  10  -4.688  -0.880  -6.315
   66    HA   ALA  10           HA       ALA  10  -3.974   1.159  -4.504
   67    HB1  ALA  10           HB1      ALA  10  -2.556  -1.454  -5.021
   68    HB2  ALA  10           HB2      ALA  10  -3.926  -1.231  -3.934
   69    HB3  ALA  10           HB3      ALA  10  -2.387  -0.439  -3.590
   70    H    GLU  11           H        GLU  11  -2.208  -0.315  -7.213
   71    HA   GLU  11           HA       GLU  11   0.143   1.220  -6.909
   72    HB2  GLU  11           HB2      GLU  11  -0.977  -0.071  -9.401
   73    HB3  GLU  11           HB3      GLU  11   0.668   0.519  -9.207
   74    HG2  GLU  11           HG2      GLU  11   1.000  -1.115  -7.391
   75    HG3  GLU  11           HG3      GLU  11  -0.618  -1.744  -7.700
   76    H    LYS  12           H        LYS  12  -2.864   1.781  -8.606
   77    HA   LYS  12           HA       LYS  12  -2.112   3.920 -10.241
   78    HB2  LYS  12           HB2      LYS  12  -4.255   2.655 -10.372
   79    HB3  LYS  12           HB3      LYS  12  -4.790   3.469  -8.910
   80    HG2  LYS  12           HG2      LYS  12  -4.761   5.601 -10.041
   81    HG3  LYS  12           HG3      LYS  12  -4.102   4.849 -11.497
   82    HD2  LYS  12           HD2      LYS  12  -6.467   5.156 -11.802
   83    HD3  LYS  12           HD3      LYS  12  -6.146   3.431 -11.619
   84    HE2  LYS  12           HE2      LYS  12  -6.735   3.689  -9.187
   85    HE3  LYS  12           HE3      LYS  12  -7.266   5.327  -9.562
   86    HZ1  LYS  12           HZ1      LYS  12  -8.416   2.769 -10.513
   87    HZ2  LYS  12           HZ2      LYS  12  -8.766   4.247 -11.275
   88    HZ3  LYS  12           HZ3      LYS  12  -9.181   4.009  -9.646
   89    H    MET  13           H        MET  13  -3.220   3.858  -6.881
   90    HA   MET  13           HA       MET  13  -3.116   6.727  -6.624
   91    HB2  MET  13           HB2      MET  13  -3.494   4.517  -4.605
   92    HB3  MET  13           HB3      MET  13  -3.481   6.223  -4.180
   93    HG2  MET  13           HG2      MET  13  -5.397   6.594  -5.661
   94    HG3  MET  13           HG3      MET  13  -5.418   4.875  -6.049
   95    HE1  MET  13           HE1      MET  13  -4.745   3.542  -3.259
   96    HE2  MET  13           HE2      MET  13  -6.030   2.973  -4.327
   97    HE3  MET  13           HE3      MET  13  -6.367   3.261  -2.623
   98    H    LEU  14           H        LEU  14  -1.021   4.011  -5.956
   99    HA   LEU  14           HA       LEU  14   0.852   5.371  -4.327
  100    HB2  LEU  14           HB2      LEU  14   0.638   2.897  -4.524
  101    HB3  LEU  14           HB3      LEU  14   1.320   2.996  -6.135
  102    HG   LEU  14           HG       LEU  14   3.408   3.923  -5.154
  103   HD11  LEU  14          HD11      LEU  14   2.445   4.868  -3.120
  104   HD12  LEU  14          HD12      LEU  14   3.769   3.764  -2.752
  105   HD13  LEU  14          HD13      LEU  14   2.098   3.246  -2.525
  106   HD21  LEU  14          HD21      LEU  14   4.186   1.800  -4.184
  107   HD22  LEU  14          HD22      LEU  14   3.250   1.557  -5.660
  108   HD23  LEU  14          HD23      LEU  14   2.513   1.245  -4.088
  109    H    GLY  15           H        GLY  15   0.304   5.252  -7.743
  110    HA2  GLY  15           HA2      GLY  15   2.846   6.176  -8.607
  111    HA3  GLY  15           HA3      GLY  15   1.351   6.258  -9.524
  112    H    LYS  16           H        LYS  16   0.133   7.784  -7.198
  113    HA   LYS  16           HA       LYS  16   0.876  10.419  -8.095
  114    HB2  LYS  16           HB2      LYS  16  -1.056   9.407  -6.016
  115    HB3  LYS  16           HB3      LYS  16  -0.757  11.122  -6.259
  116    HG2  LYS  16           HG2      LYS  16  -1.493  10.901  -8.595
  117    HG3  LYS  16           HG3      LYS  16  -1.837   9.194  -8.307
  118    HD2  LYS  16           HD2      LYS  16  -3.544   9.730  -6.724
  119    HD3  LYS  16           HD3      LYS  16  -3.092  11.435  -6.729
  120    HE2  LYS  16           HE2      LYS  16  -3.762  11.587  -9.092
  121    HE3  LYS  16           HE3      LYS  16  -4.248   9.893  -9.050
  122    HZ1  LYS  16           HZ1      LYS  16  -6.013  11.715  -8.701
  123    HZ2  LYS  16           HZ2      LYS  16  -5.398  11.808  -7.122
  124    HZ3  LYS  16           HZ3      LYS  16  -6.045  10.348  -7.701
  125    H    VAL  17           H        VAL  17   1.921   8.275  -5.721
  126    HA   VAL  17           HA       VAL  17   2.953  10.291  -3.909
  127    HB   VAL  17           HB       VAL  17   3.158   7.276  -3.934
  128   HG11  VAL  17          HG11      VAL  17   5.150   8.198  -2.877
  129   HG12  VAL  17          HG12      VAL  17   4.099   7.445  -1.677
  130   HG13  VAL  17          HG13      VAL  17   4.145   9.203  -1.832
  131   HG21  VAL  17          HG21      VAL  17   0.940   8.065  -3.426
  132   HG22  VAL  17          HG22      VAL  17   1.575   9.181  -2.218
  133   HG23  VAL  17          HG23      VAL  17   1.691   7.442  -1.955
  134    HA   PRO  18           HA       PRO  18   6.771  10.980  -6.110
  135    HB2  PRO  18           HB2      PRO  18   7.787  11.184  -3.308
  136    HB3  PRO  18           HB3      PRO  18   8.035  12.277  -4.676
  137    HG2  PRO  18           HG2      PRO  18   6.308  12.903  -2.756
  138    HG3  PRO  18           HG3      PRO  18   5.935  13.244  -4.456
  139    HD2  PRO  18           HD2      PRO  18   4.867  11.112  -2.672
  140    HD3  PRO  18           HD3      PRO  18   4.066  11.990  -3.989
  141    H    PHE  19           H        PHE  19   8.244   9.574  -6.862
  142    HA   PHE  19           HA       PHE  19   8.179   6.913  -5.937
  143    HB2  PHE  19           HB2      PHE  19   9.828   6.415  -7.645
  144    HB3  PHE  19           HB3      PHE  19   8.583   7.472  -8.290
  145    HD1  PHE  19           HD2      PHE  19   9.097   9.840  -8.753
  146    HD2  PHE  19           HD1      PHE  19  12.102   7.085  -7.532
  147    HE1  PHE  19           HE2      PHE  19  10.834  11.379  -9.566
  148    HE2  PHE  19           HE1      PHE  19  13.843   8.616  -8.348
  149    HZ   PHE  19           HZ       PHE  19  13.211  10.767  -9.366
  150    H    PHE  20           H        PHE  20  10.132   9.558  -5.004
  151    HA   PHE  20           HA       PHE  20  12.381   8.201  -3.991
  152    HB2  PHE  20           HB2      PHE  20  11.075  10.713  -2.915
  153    HB3  PHE  20           HB3      PHE  20  12.711  10.168  -2.563
  154    HD1  PHE  20           HD2      PHE  20  14.404  10.135  -4.403
  155    HD2  PHE  20           HD1      PHE  20  10.587  11.965  -4.828
  156    HE1  PHE  20           HE2      PHE  20  15.245  11.429  -6.319
  157    HE2  PHE  20           HE1      PHE  20  11.420  13.267  -6.746
  158    HZ   PHE  20           HZ       PHE  20  13.751  13.000  -7.493
  159    H    VAL  21           H        VAL  21   9.471   9.364  -2.304
  160    HA   VAL  21           HA       VAL  21  10.163   7.875   0.068
  161    HB   VAL  21           HB       VAL  21   8.162   8.859   1.063
  162   HG11  VAL  21          HG11      VAL  21   8.823  11.201   0.951
  163   HG12  VAL  21          HG12      VAL  21   9.764  10.879  -0.506
  164   HG13  VAL  21          HG13      VAL  21  10.238  10.151   1.030
  165   HG21  VAL  21          HG21      VAL  21   6.758  10.423  -0.198
  166   HG22  VAL  21          HG22      VAL  21   6.688   8.799  -0.884
  167   HG23  VAL  21          HG23      VAL  21   7.658  10.047  -1.668
  168    H    ARG  22           H        ARG  22   8.464   7.254  -2.766
  169    HA   ARG  22           HA       ARG  22   6.308   5.694  -2.002
  170    HB2  ARG  22           HB2      ARG  22   6.787   6.406  -4.320
  171    HB3  ARG  22           HB3      ARG  22   8.122   5.265  -4.383
  172    HG2  ARG  22           HG2      ARG  22   6.543   3.415  -4.075
  173    HG3  ARG  22           HG3      ARG  22   5.210   4.572  -4.052
  174    HD2  ARG  22           HD2      ARG  22   7.123   4.128  -6.343
  175    HD3  ARG  22           HD3      ARG  22   5.472   3.518  -6.253
  176    HE   ARG  22           HE       ARG  22   5.158   6.187  -5.930
  177   HH11  ARG  22          HH11      ARG  22   6.807   4.239  -8.316
  178   HH12  ARG  22          HH12      ARG  22   6.587   5.384  -9.603
  179   HH21  ARG  22          HH21      ARG  22   4.860   7.713  -7.598
  180   HH22  ARG  22          HH22      ARG  22   5.451   7.368  -9.201
  181    H    LYS  23           H        LYS  23   9.711   4.811  -2.248
  182    HA   LYS  23           HA       LYS  23   9.429   2.032  -1.951
  183    HB2  LYS  23           HB2      LYS  23  11.685   3.892  -1.209
  184    HB3  LYS  23           HB3      LYS  23  11.802   2.141  -1.094
  185    HG2  LYS  23           HG2      LYS  23  11.484   1.915  -3.468
  186    HG3  LYS  23           HG3      LYS  23  11.197   3.648  -3.630
  187    HD2  LYS  23           HD2      LYS  23  13.471   3.048  -4.308
  188    HD3  LYS  23           HD3      LYS  23  13.474   4.110  -2.900
  189    HE2  LYS  23           HE2      LYS  23  15.113   2.341  -2.617
  190    HE3  LYS  23           HE3      LYS  23  13.812   2.158  -1.444
  191    HZ1  LYS  23           HZ1      LYS  23  14.550   0.065  -2.556
  192    HZ2  LYS  23           HZ2      LYS  23  13.906   0.663  -4.009
  193    HZ3  LYS  23           HZ3      LYS  23  12.888   0.380  -2.678
  194    H    LYS  24           H        LYS  24   9.630   4.628   0.417
  195    HA   LYS  24           HA       LYS  24   9.746   2.829   2.648
  196    HB2  LYS  24           HB2      LYS  24   9.463   5.805   2.386
  197    HB3  LYS  24           HB3      LYS  24   9.195   5.020   3.935
  198    HG2  LYS  24           HG2      LYS  24  11.443   5.785   3.893
  199    HG3  LYS  24           HG3      LYS  24  11.477   4.029   3.745
  200    HD2  LYS  24           HD2      LYS  24  13.047   4.822   2.179
  201    HD3  LYS  24           HD3      LYS  24  11.620   4.394   1.233
  202    HE2  LYS  24           HE2      LYS  24  12.447   6.499   0.439
  203    HE3  LYS  24           HE3      LYS  24  10.937   6.786   1.307
  204    HZ1  LYS  24           HZ1      LYS  24  12.630   8.412   1.896
  205    HZ2  LYS  24           HZ2      LYS  24  13.666   7.175   2.415
  206    HZ3  LYS  24           HZ3      LYS  24  12.214   7.468   3.241
  207    H    VAL  25           H        VAL  25   7.241   4.665   0.989
  208    HA   VAL  25           HA       VAL  25   5.132   4.107   2.778
  209    HB   VAL  25           HB       VAL  25   4.979   4.522  -0.217
  210   HG11  VAL  25          HG11      VAL  25   2.950   3.505   0.678
  211   HG12  VAL  25          HG12      VAL  25   2.656   5.175   0.190
  212   HG13  VAL  25          HG13      VAL  25   2.843   4.775   1.899
  213   HG21  VAL  25          HG21      VAL  25   4.474   6.853   0.334
  214   HG22  VAL  25          HG22      VAL  25   6.071   6.384   0.919
  215   HG23  VAL  25          HG23      VAL  25   4.718   6.499   2.045
  216    H    ARG  26           H        ARG  26   6.313   2.426  -0.100
  217    HA   ARG  26           HA       ARG  26   4.483   0.312  -0.170
  218    HB2  ARG  26           HB2      ARG  26   6.543   1.096  -1.717
  219    HB3  ARG  26           HB3      ARG  26   7.312  -0.244  -0.886
  220    HG2  ARG  26           HG2      ARG  26   4.682  -0.558  -2.289
  221    HG3  ARG  26           HG3      ARG  26   6.213  -0.695  -3.143
  222    HD2  ARG  26           HD2      ARG  26   6.830  -2.438  -1.380
  223    HD3  ARG  26           HD3      ARG  26   5.118  -2.436  -0.957
  224    HE   ARG  26           HE       ARG  26   5.293  -2.760  -3.717
  225   HH11  ARG  26          HH11      ARG  26   6.060  -4.578  -0.802
  226   HH12  ARG  26          HH12      ARG  26   6.019  -6.119  -1.625
  227   HH21  ARG  26          HH21      ARG  26   5.220  -4.767  -4.757
  228   HH22  ARG  26          HH22      ARG  26   5.575  -6.226  -3.872
  229    H    LYS  27           H        LYS  27   7.591   0.622   1.500
  230    HA   LYS  27           HA       LYS  27   7.654  -1.947   2.645
  231    HB2  LYS  27           HB2      LYS  27   9.628  -0.530   2.523
  232    HB3  LYS  27           HB3      LYS  27   8.879   0.649   3.590
  233    HG2  LYS  27           HG2      LYS  27   8.859  -1.033   5.391
  234    HG3  LYS  27           HG3      LYS  27   9.697  -2.155   4.317
  235    HD2  LYS  27           HD2      LYS  27  11.579  -0.638   4.150
  236    HD3  LYS  27           HD3      LYS  27  10.733   0.559   5.131
  237    HE2  LYS  27           HE2      LYS  27  10.718  -1.044   7.005
  238    HE3  LYS  27           HE3      LYS  27  11.637  -2.177   6.017
  239    HZ1  LYS  27           HZ1      LYS  27  13.448  -0.631   5.914
  240    HZ2  LYS  27           HZ2      LYS  27  13.031  -0.873   7.541
  241    HZ3  LYS  27           HZ3      LYS  27  12.558   0.546   6.749
  242    H    ASN  28           H        ASN  28   6.241   1.097   3.745
  243    HA   ASN  28           HA       ASN  28   5.521   0.232   6.331
  244    HB2  ASN  28           HB2      ASN  28   4.731   2.485   4.560
  245    HB3  ASN  28           HB3      ASN  28   3.634   2.082   5.876
  246   HD21  ASN  28          HD21      ASN  28   6.805   3.253   5.040
  247   HD22  ASN  28          HD22      ASN  28   7.212   3.846   6.619
  248    H    THR  29           H        THR  29   3.743   0.198   3.250
  249    HA   THR  29           HA       THR  29   1.418  -1.014   4.344
  250    HB   THR  29           HB       THR  29   1.054  -1.724   1.895
  251    HG1  THR  29           HG1      THR  29   3.432  -1.254   1.490
  252   HG21  THR  29          HG21      THR  29   1.298   1.195   2.608
  253   HG22  THR  29          HG22      THR  29  -0.083   0.157   2.955
  254   HG23  THR  29          HG23      THR  29   0.338   0.534   1.284
  255    H    ASP  30           H        ASP  30   4.410  -2.261   3.010
  256    HA   ASP  30           HA       ASP  30   3.815  -4.946   2.703
  257    HB2  ASP  30           HB2      ASP  30   6.226  -3.353   3.191
  258    HB3  ASP  30           HB3      ASP  30   6.336  -4.983   3.841
  259    H    ASN  31           H        ASN  31   4.754  -3.176   5.597
  260    HA   ASN  31           HA       ASN  31   4.683  -5.408   7.351
  261    HB2  ASN  31           HB2      ASN  31   4.522  -2.436   7.915
  262    HB3  ASN  31           HB3      ASN  31   4.707  -3.675   9.153
  263   HD21  ASN  31          HD21      ASN  31   6.461  -1.444   8.380
  264   HD22  ASN  31          HD22      ASN  31   7.986  -2.175   8.020
  265    H    TYR  32           H        TYR  32   2.316  -2.986   6.354
  266    HA   TYR  32           HA       TYR  32   0.482  -3.607   8.463
  267    HB2  TYR  32           HB2      TYR  32   0.518  -1.377   7.432
  268    HB3  TYR  32           HB3      TYR  32   0.010  -2.074   5.895
  269    HD1  TYR  32           HD1      TYR  32  -1.055  -1.766   9.451
  270    HD2  TYR  32           HD2      TYR  32  -2.267  -2.232   5.401
  271    HE1  TYR  32           HE1      TYR  32  -3.405  -1.533  10.133
  272    HE2  TYR  32           HE2      TYR  32  -4.620  -1.996   6.073
  273    HH   TYR  32           HH       TYR  32  -5.982  -2.342   8.138
  274    H    ALA  33           H        ALA  33   0.672  -4.410   5.020
  275    HA   ALA  33           HA       ALA  33  -1.831  -5.662   4.802
  276    HB1  ALA  33           HB1      ALA  33  -0.957  -6.669   2.758
  277    HB2  ALA  33           HB2      ALA  33   0.683  -6.217   3.223
  278    HB3  ALA  33           HB3      ALA  33  -0.509  -4.967   2.865
  279    H    ARG  34           H        ARG  34   1.342  -6.952   5.671
  280    HA   ARG  34           HA       ARG  34   0.413  -9.651   5.820
  281    HB2  ARG  34           HB2      ARG  34   2.814  -8.879   5.442
  282    HB3  ARG  34           HB3      ARG  34   2.874  -8.546   7.169
  283    HG2  ARG  34           HG2      ARG  34   2.385 -10.884   7.649
  284    HG3  ARG  34           HG3      ARG  34   2.296 -11.222   5.919
  285    HD2  ARG  34           HD2      ARG  34   4.656 -10.452   5.719
  286    HD3  ARG  34           HD3      ARG  34   4.710 -10.320   7.477
  287    HE   ARG  34           HE       ARG  34   3.843 -12.904   6.617
  288   HH11  ARG  34          HH11      ARG  34   6.685 -10.910   7.094
  289   HH12  ARG  34          HH12      ARG  34   7.751 -12.264   7.341
  290   HH21  ARG  34          HH21      ARG  34   5.240 -14.681   6.904
  291   HH22  ARG  34          HH22      ARG  34   6.923 -14.409   7.228
  292    H    GLU  35           H        GLU  35   0.435  -6.946   7.951
  293    HA   GLU  35           HA       GLU  35   0.198  -8.416  10.394
  294    HB2  GLU  35           HB2      GLU  35   1.142  -6.155  10.336
  295    HB3  GLU  35           HB3      GLU  35  -0.394  -5.516   9.771
  296    HG2  GLU  35           HG2      GLU  35  -1.448  -6.024  11.846
  297    HG3  GLU  35           HG3      GLU  35  -0.030  -6.911  12.406
  298    H    ILE  36           H        ILE  36  -2.044  -6.970   8.095
  299    HA   ILE  36           HA       ILE  36  -4.331  -7.681   9.749
  300    HB   ILE  36           HB       ILE  36  -5.714  -6.760   7.933
  301   HG12  ILE  36          HG12      ILE  36  -3.075  -6.112   6.600
  302   HG13  ILE  36          HG13      ILE  36  -4.205  -7.347   6.056
  303   HG21  ILE  36          HG21      ILE  36  -3.463  -4.966   8.824
  304   HG22  ILE  36          HG22      ILE  36  -4.938  -5.316   9.724
  305   HG23  ILE  36          HG23      ILE  36  -5.023  -4.426   8.204
  306   HD11  ILE  36          HD11      ILE  36  -4.395  -5.322   4.734
  307   HD12  ILE  36          HD12      ILE  36  -4.757  -4.392   6.189
  308   HD13  ILE  36          HD13      ILE  36  -5.880  -5.632   5.630
  309    H    GLY  37           H        GLY  37  -2.332  -9.299   7.706
  310    HA2  GLY  37           HA2      GLY  37  -2.456 -11.489   6.998
  311    HA3  GLY  37           HA3      GLY  37  -4.097 -11.557   7.618
  312    H    GLU  38           H        GLU  38  -2.818  -9.306   5.214
  313    HA   GLU  38           HA       GLU  38  -4.523 -10.591   3.188
  314    HB2  GLU  38           HB2      GLU  38  -5.581  -8.536   4.050
  315    HB3  GLU  38           HB3      GLU  38  -4.135  -7.625   3.639
  316    HG2  GLU  38           HG2      GLU  38  -5.821  -7.260   1.975
  317    HG3  GLU  38           HG3      GLU  38  -4.489  -8.178   1.274
  318    HA   PRO  39           HA       PRO  39  -0.489 -10.420   1.177
  319    HB2  PRO  39           HB2      PRO  39  -1.575 -12.228  -0.791
  320    HB3  PRO  39           HB3      PRO  39  -0.370 -12.555   0.454
  321    HG2  PRO  39           HG2      PRO  39  -2.898 -13.618   0.445
  322    HG3  PRO  39           HG3      PRO  39  -1.919 -13.394   1.905
  323    HD2  PRO  39           HD2      PRO  39  -4.156 -11.721   0.842
  324    HD3  PRO  39           HD3      PRO  39  -3.765 -12.147   2.523
  325    H    VAL  40           H        VAL  40  -3.600  -9.608   0.011
  326    HA   VAL  40           HA       VAL  40  -2.468  -8.536  -2.485
  327    HB   VAL  40           HB       VAL  40  -5.357  -9.161  -1.846
  328   HG11  VAL  40          HG11      VAL  40  -5.745  -8.738  -4.234
  329   HG12  VAL  40          HG12      VAL  40  -4.064  -8.230  -4.408
  330   HG13  VAL  40          HG13      VAL  40  -5.167  -7.301  -3.392
  331   HG21  VAL  40          HG21      VAL  40  -5.101 -10.976  -3.477
  332   HG22  VAL  40          HG22      VAL  40  -4.023 -11.182  -2.096
  333   HG23  VAL  40          HG23      VAL  40  -3.387 -10.590  -3.631
  334    H    VAL  41           H        VAL  41  -2.003  -6.449  -2.329
  335    HA   VAL  41           HA       VAL  41  -3.385  -4.747  -0.440
  336    HB   VAL  41           HB       VAL  41  -1.231  -4.025  -2.442
  337   HG11  VAL  41          HG11      VAL  41  -0.939  -2.015  -1.073
  338   HG12  VAL  41          HG12      VAL  41  -2.297  -2.509  -0.061
  339   HG13  VAL  41          HG13      VAL  41  -2.564  -2.099  -1.756
  340   HG21  VAL  41          HG21      VAL  41   0.286  -4.076  -0.513
  341   HG22  VAL  41          HG22      VAL  41  -0.430  -5.658  -0.823
  342   HG23  VAL  41          HG23      VAL  41  -1.033  -4.661   0.502
  343    H    THR  42           H        THR  42  -5.410  -4.298  -1.061
  344    HA   THR  42           HA       THR  42  -5.979  -3.524  -3.812
  345    HB   THR  42           HB       THR  42  -8.331  -3.474  -3.095
  346    HG1  THR  42           HG1      THR  42  -8.443  -4.519  -0.774
  347   HG21  THR  42          HG21      THR  42  -6.859  -5.959  -2.210
  348   HG22  THR  42          HG22      THR  42  -7.409  -5.598  -3.846
  349   HG23  THR  42          HG23      THR  42  -8.585  -5.865  -2.559
  350    H    ALA  43           H        ALA  43  -7.602  -1.583  -3.967
  351    HA   ALA  43           HA       ALA  43  -6.444   0.787  -3.030
  352    HB1  ALA  43           HB1      ALA  43  -8.543   1.875  -3.685
  353    HB2  ALA  43           HB2      ALA  43  -9.317   0.294  -3.824
  354    HB3  ALA  43           HB3      ALA  43  -7.998   0.729  -4.912
  355    H    ASP  44           H        ASP  44  -8.840  -1.340  -1.631
  356    HA   ASP  44           HA       ASP  44  -9.659   0.412   0.457
  357    HB2  ASP  44           HB2      ASP  44 -11.072  -1.447  -0.311
  358    HB3  ASP  44           HB3      ASP  44  -9.866  -2.600   0.253
  359    H    VAL  45           H        VAL  45  -7.331  -2.261   0.244
  360    HA   VAL  45           HA       VAL  45  -6.490  -2.211   2.927
  361    HB   VAL  45           HB       VAL  45  -4.921  -2.989   0.460
  362   HG11  VAL  45          HG11      VAL  45  -3.517  -4.297   2.031
  363   HG12  VAL  45          HG12      VAL  45  -4.353  -3.519   3.375
  364   HG13  VAL  45          HG13      VAL  45  -3.382  -2.555   2.263
  365   HG21  VAL  45          HG21      VAL  45  -6.454  -4.678   2.433
  366   HG22  VAL  45          HG22      VAL  45  -5.526  -5.273   1.054
  367   HG23  VAL  45          HG23      VAL  45  -6.967  -4.289   0.790
  368    H    PHE  46           H        PHE  46  -5.462  -0.367   0.097
  369    HA   PHE  46           HA       PHE  46  -3.269   0.958   1.270
  370    HB2  PHE  46           HB2      PHE  46  -3.870   0.866  -1.195
  371    HB3  PHE  46           HB3      PHE  46  -5.082   2.097  -0.866
  372    HD1  PHE  46           HD1      PHE  46  -1.474   1.383  -0.907
  373    HD2  PHE  46           HD2      PHE  46  -4.484   4.375  -0.612
  374    HE1  PHE  46           HE1      PHE  46   0.232   3.123  -1.230
  375    HE2  PHE  46           HE2      PHE  46  -2.784   6.123  -0.932
  376    HZ   PHE  46           HZ       PHE  46  -0.422   5.498  -1.243
  377    H    ARG  47           H        ARG  47  -6.719   1.687   1.179
  378    HA   ARG  47           HA       ARG  47  -6.616   4.196   2.469
  379    HB2  ARG  47           HB2      ARG  47  -8.808   2.107   2.477
  380    HB3  ARG  47           HB3      ARG  47  -8.996   3.763   3.035
  381    HG2  ARG  47           HG2      ARG  47  -8.595   4.606   0.819
  382    HG3  ARG  47           HG3      ARG  47  -8.246   2.980   0.227
  383    HD2  ARG  47           HD2      ARG  47 -10.542   2.305   0.811
  384    HD3  ARG  47           HD3      ARG  47 -10.877   3.954   1.334
  385    HE   ARG  47           HE       ARG  47 -10.000   4.230  -1.234
  386   HH11  ARG  47          HH11      ARG  47 -12.568   2.404   0.312
  387   HH12  ARG  47          HH12      ARG  47 -13.605   2.458  -1.088
  388   HH21  ARG  47          HH21      ARG  47 -11.377   4.305  -3.048
  389   HH22  ARG  47          HH22      ARG  47 -12.929   3.526  -2.987
  390    H    LYS  48           H        LYS  48  -7.042   0.905   3.698
  391    HA   LYS  48           HA       LYS  48  -7.273   1.486   6.420
  392    HB2  LYS  48           HB2      LYS  48  -6.064  -0.917   5.041
  393    HB3  LYS  48           HB3      LYS  48  -6.389  -0.838   6.764
  394    HG2  LYS  48           HG2      LYS  48  -8.771  -0.587   6.311
  395    HG3  LYS  48           HG3      LYS  48  -8.449  -0.657   4.576
  396    HD2  LYS  48           HD2      LYS  48  -7.517  -2.902   4.834
  397    HD3  LYS  48           HD3      LYS  48  -7.813  -2.834   6.571
  398    HE2  LYS  48           HE2      LYS  48  -9.926  -2.692   4.424
  399    HE3  LYS  48           HE3      LYS  48  -9.526  -4.126   5.367
  400    HZ1  LYS  48           HZ1      LYS  48 -10.163  -2.896   7.379
  401    HZ2  LYS  48           HZ2      LYS  48 -11.449  -3.048   6.281
  402    HZ3  LYS  48           HZ3      LYS  48 -10.623  -1.575   6.421
  403    H    ALA  49           H        ALA  49  -4.421   0.963   4.411
  404    HA   ALA  49           HA       ALA  49  -2.477   0.920   6.407
  405    HB1  ALA  49           HB1      ALA  49  -2.187   2.011   3.613
  406    HB2  ALA  49           HB2      ALA  49  -2.084   0.307   4.058
  407    HB3  ALA  49           HB3      ALA  49  -0.887   1.450   4.666
  408    H    LYS  50           H        LYS  50  -3.607   3.703   4.467
  409    HA   LYS  50           HA       LYS  50  -2.008   5.596   5.822
  410    HB2  LYS  50           HB2      LYS  50  -4.465   5.851   4.116
  411    HB3  LYS  50           HB3      LYS  50  -3.764   7.253   4.908
  412    HG2  LYS  50           HG2      LYS  50  -1.578   6.580   3.773
  413    HG3  LYS  50           HG3      LYS  50  -2.577   5.526   2.768
  414    HD2  LYS  50           HD2      LYS  50  -3.852   7.391   1.966
  415    HD3  LYS  50           HD3      LYS  50  -3.074   8.481   3.113
  416    HE2  LYS  50           HE2      LYS  50  -0.897   7.949   1.968
  417    HE3  LYS  50           HE3      LYS  50  -1.837   7.127   0.723
  418    HZ1  LYS  50           HZ1      LYS  50  -2.954   9.182   0.209
  419    HZ2  LYS  50           HZ2      LYS  50  -1.279   9.452   0.162
  420    HZ3  LYS  50           HZ3      LYS  50  -2.184   9.977   1.493
  421    H    GLU  51           H        GLU  51  -5.127   4.219   6.551
  422    HA   GLU  51           HA       GLU  51  -5.878   6.180   8.478
  423    HB2  GLU  51           HB2      GLU  51  -7.553   4.753   7.439
  424    HB3  GLU  51           HB3      GLU  51  -6.790   3.320   8.111
  425    HG2  GLU  51           HG2      GLU  51  -7.346   4.055  10.358
  426    HG3  GLU  51           HG3      GLU  51  -8.067   5.528   9.712
  427    H    HIS  52           H        HIS  52  -4.472   2.931   8.744
  428    HA   HIS  52           HA       HIS  52  -4.269   3.011  11.581
  429    HB2  HIS  52           HB2      HIS  52  -4.446   0.897  10.401
  430    HB3  HIS  52           HB3      HIS  52  -2.944   1.213   9.542
  431    HD1  HIS  52           HD1      HIS  52  -4.296   0.028  12.813
  432    HD2  HIS  52           HD2      HIS  52  -0.598   0.771  11.052
  433    HE1  HIS  52           HE1      HIS  52  -2.596  -1.042  14.321
  434    HE2  HIS  52           HE2      HIS  52  -0.393  -0.759  13.129
  435    H    LEU  53           H        LEU  53  -1.868   3.411   8.976
  436    HA   LEU  53           HA       LEU  53   0.286   3.756  10.839
  437    HB2  LEU  53           HB2      LEU  53   0.177   4.293   7.869
  438    HB3  LEU  53           HB3      LEU  53   1.635   4.239   8.842
  439    HG   LEU  53           HG       LEU  53  -0.221   1.894   8.426
  440   HD11  LEU  53          HD11      LEU  53   1.494   1.021   6.938
  441   HD12  LEU  53          HD12      LEU  53   2.437   2.496   7.139
  442   HD13  LEU  53          HD13      LEU  53   0.868   2.557   6.340
  443   HD21  LEU  53          HD21      LEU  53   2.532   2.088   9.643
  444   HD22  LEU  53          HD22      LEU  53   1.624   0.598   9.376
  445   HD23  LEU  53          HD23      LEU  53   1.027   1.805  10.517
  446    H    GLY  54           H        GLY  54  -1.850   5.872   9.059
  447    HA2  GLY  54           HA2      GLY  54  -2.273   8.121   9.377
  448    HA3  GLY  54           HA3      GLY  54  -1.069   8.125  10.658
  449    H    GLY  55           H        GLY  55   0.979   8.771  10.240
  450    HA2  GLY  55           HA2      GLY  55   2.844   9.366   9.004
  451    HA3  GLY  55           HA3      GLY  55   1.972   8.943   7.537
  452    H    LEU  56           H        LEU  56  -0.085  10.534   7.352
  453    HA   LEU  56           HA       LEU  56   1.171  13.176   7.148
  454    HB2  LEU  56           HB2      LEU  56  -0.303  11.626   5.347
  455    HB3  LEU  56           HB3      LEU  56  -1.403  12.898   5.840
  456    HG   LEU  56           HG       LEU  56  -0.205  13.512   3.805
  457   HD11  LEU  56          HD11      LEU  56   0.629  15.128   6.207
  458   HD12  LEU  56          HD12      LEU  56  -0.857  15.315   5.276
  459   HD13  LEU  56          HD13      LEU  56   0.701  15.679   4.534
  460   HD21  LEU  56          HD21      LEU  56   1.820  12.203   4.167
  461   HD22  LEU  56          HD22      LEU  56   2.288  13.276   5.487
  462   HD23  LEU  56          HD23      LEU  56   2.208  13.891   3.836
  463    H    GLU  57           H        GLU  57   0.488  14.840   8.315
  464    HA   GLU  57           HA       GLU  57  -1.588  14.568  10.253
  465    HB2  GLU  57           HB2      GLU  57  -1.160  16.945  10.743
  466    HB3  GLU  57           HB3      GLU  57   0.327  16.007  10.700
  467    HG2  GLU  57           HG2      GLU  57   0.994  16.933   8.666
  468    HG3  GLU  57           HG3      GLU  57  -0.629  17.517   8.299
  469    H    HIS  58           H        HIS  58  -3.333  16.362  10.388
  470    HA   HIS  58           HA       HIS  58  -5.314  17.153   9.568
  471    HB2  HIS  58           HB2      HIS  58  -3.679  17.479   7.038
  472    HB3  HIS  58           HB3      HIS  58  -5.337  18.045   7.209
  473    HD1  HIS  58           HD1      HIS  58  -1.886  19.059   7.754
  474    HD2  HIS  58           HD2      HIS  58  -5.610  20.089   9.277
  475    HE1  HIS  58           HE1      HIS  58  -1.562  21.284   8.876
  476    HE2  HIS  58           HE2      HIS  58  -3.884  21.987   9.570
  477    H    HIS  59           H        HIS  59  -4.815  14.455   9.700
  478    HA   HIS  59           HA       HIS  59  -5.218  12.956   7.376
  479    HB2  HIS  59           HB2      HIS  59  -4.278  12.195   9.593
  480    HB3  HIS  59           HB3      HIS  59  -5.930  12.133  10.193
  481    HD1  HIS  59           HD1      HIS  59  -7.362  10.144   9.516
  482    HD2  HIS  59           HD2      HIS  59  -3.610  10.198   7.717
  483    HE1  HIS  59           HE1      HIS  59  -7.078   7.876   8.463
  484    HE2  HIS  59           HE2      HIS  59  -4.695   7.856   7.645
  485    H    HIS  60           H        HIS  60  -7.483  14.445   9.577
  486    HA   HIS  60           HA       HIS  60  -9.723  12.892   8.710
  487    HB2  HIS  60           HB2      HIS  60 -11.087  14.332  10.083
  488    HB3  HIS  60           HB3      HIS  60  -9.616  13.940  10.961
  489    HD1  HIS  60           HD1      HIS  60 -11.744  16.692  10.190
  490    HD2  HIS  60           HD2      HIS  60  -7.638  16.219  10.670
  491    HE1  HIS  60           HE1      HIS  60 -10.839  19.001  10.620
  492    HE2  HIS  60           HE2      HIS  60  -8.338  18.714  10.647
  493    H    HIS  61           H        HIS  61 -10.214  12.987   6.627
  494    HA   HIS  61           HA       HIS  61 -11.236  15.529   5.606
  495    HB2  HIS  61           HB2      HIS  61  -9.170  13.822   4.219
  496    HB3  HIS  61           HB3      HIS  61 -10.266  14.845   3.301
  497    HD1  HIS  61           HD1      HIS  61  -7.019  15.055   3.758
  498    HD2  HIS  61           HD2      HIS  61 -10.022  17.532   5.234
  499    HE1  HIS  61           HE1      HIS  61  -5.909  17.259   4.235
  500    HE2  HIS  61           HE2      HIS  61  -7.701  18.684   5.288
  501    H    HIS  62           H        HIS  62 -12.994  15.276   4.203
  502    HA   HIS  62           HA       HIS  62 -13.792  12.505   3.620
  503    HB2  HIS  62           HB2      HIS  62 -15.022  13.575   5.637
  504    HB3  HIS  62           HB3      HIS  62 -15.849  14.547   4.423
  505    HD1  HIS  62           HD1      HIS  62 -15.675  11.133   5.853
  506    HD2  HIS  62           HD2      HIS  62 -17.622  13.087   2.737
  507    HE1  HIS  62           HE1      HIS  62 -17.473   9.552   5.074
  508    HE2  HIS  62           HE2      HIS  62 -18.562  10.700   3.113
  509    H    HIS  63           H        HIS  63 -13.580  15.797   2.720
  510    HA   HIS  63           HA       HIS  63 -14.581  15.099   0.042
  511    HB2  HIS  63           HB2      HIS  63 -14.867  17.733   1.509
  512    HB3  HIS  63           HB3      HIS  63 -15.166  17.537  -0.214
  513    HD1  HIS  63           HD1      HIS  63 -16.979  17.791   2.774
  514    HD2  HIS  63           HD2      HIS  63 -17.215  15.247  -0.515
  515    HE1  HIS  63           HE1      HIS  63 -19.308  16.842   2.805
  516    HE2  HIS  63           HE2      HIS  63 -19.474  15.420   0.732
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1   8.170  -8.243   4.209
    2    H2   MET   1           H2       MET   1   8.280  -8.816   2.620
    3    H3   MET   1           H3       MET   1   7.202  -7.558   2.998
    4    HA   MET   1           HA       MET   1   8.993  -6.090   3.509
    5    HB2  MET   1           HB2      MET   1  10.713  -8.479   2.827
    6    HB3  MET   1           HB3      MET   1  11.330  -6.838   2.942
    7    HG2  MET   1           HG2      MET   1  11.798  -7.987   4.984
    8    HG3  MET   1           HG3      MET   1  10.575  -6.757   5.292
    9    HE1  MET   1           HE1      MET   1  11.191  -9.068   7.364
   10    HE2  MET   1           HE2      MET   1   9.557  -9.555   7.816
   11    HE3  MET   1           HE3      MET   1   9.941  -7.846   7.605
   12    H    GLY   2           H        GLY   2   9.410  -4.664   1.919
   13    HA2  GLY   2           HA2      GLY   2   9.912  -3.917  -0.231
   14    HA3  GLY   2           HA3      GLY   2   9.800  -5.574  -0.809
   15    H    GLU   3           H        GLU   3   7.622  -6.503  -0.999
   16    HA   GLU   3           HA       GLU   3   5.376  -4.739  -1.089
   17    HB2  GLU   3           HB2      GLU   3   4.994  -4.723  -3.468
   18    HB3  GLU   3           HB3      GLU   3   6.590  -4.063  -3.143
   19    HG2  GLU   3           HG2      GLU   3   6.043  -6.875  -4.084
   20    HG3  GLU   3           HG3      GLU   3   6.513  -5.531  -5.120
   21    H    LEU   4           H        LEU   4   3.681  -5.981  -2.693
   22    HA   LEU   4           HA       LEU   4   3.678  -8.836  -2.180
   23    HB2  LEU   4           HB2      LEU   4   1.757  -6.867  -0.964
   24    HB3  LEU   4           HB3      LEU   4   1.256  -8.513  -1.296
   25    HG   LEU   4           HG       LEU   4   3.607  -7.811   0.459
   26   HD11  LEU   4          HD11      LEU   4   0.778  -8.505   1.233
   27   HD12  LEU   4          HD12      LEU   4   1.558  -6.936   1.438
   28   HD13  LEU   4          HD13      LEU   4   2.139  -8.335   2.344
   29   HD21  LEU   4          HD21      LEU   4   3.640 -10.042  -0.567
   30   HD22  LEU   4          HD22      LEU   4   2.042 -10.364   0.104
   31   HD23  LEU   4          HD23      LEU   4   3.420 -10.123   1.181
   32    H    SER   5           H        SER   5   0.900  -9.154  -2.819
   33    HA   SER   5           HA       SER   5   0.946  -8.669  -5.645
   34    HB2  SER   5           HB2      SER   5  -1.339  -9.610  -3.885
   35    HB3  SER   5           HB3      SER   5  -1.282  -9.708  -5.646
   36    HG   SER   5           HG       SER   5   0.921 -10.843  -4.671
   37    H    TRP   6           H        TRP   6   0.820  -6.579  -6.256
   38    HA   TRP   6           HA       TRP   6  -1.028  -4.790  -4.858
   39    HB2  TRP   6           HB2      TRP   6   1.251  -4.320  -6.768
   40    HB3  TRP   6           HB3      TRP   6   0.088  -3.050  -6.408
   41    HD1  TRP   6           HD1      TRP   6   2.677  -5.270  -4.570
   42    HE1  TRP   6           HE1      TRP   6   3.513  -3.973  -2.509
   43    HE3  TRP   6           HE3      TRP   6  -0.363  -1.188  -4.890
   44    HZ2  TRP   6           HZ2      TRP   6   2.951  -1.536  -1.190
   45    HZ3  TRP   6           HZ3      TRP   6  -0.157   0.580  -3.199
   46    HH2  TRP   6           HH2      TRP   6   1.468   0.408  -1.388
   47    H    THR   7           H        THR   7  -2.871  -4.031  -5.741
   48    HA   THR   7           HA       THR   7  -3.633  -5.145  -8.325
   49    HB   THR   7           HB       THR   7  -5.908  -4.388  -7.767
   50    HG1  THR   7           HG1      THR   7  -6.277  -3.082  -6.141
   51   HG21  THR   7          HG21      THR   7  -4.572  -5.912  -5.528
   52   HG22  THR   7          HG22      THR   7  -5.159  -6.603  -7.040
   53   HG23  THR   7          HG23      THR   7  -6.298  -5.905  -5.890
   54    H    ALA   8           H        ALA   8  -5.244  -3.573  -9.542
   55    HA   ALA   8           HA       ALA   8  -3.679  -1.528 -10.649
   56    HB1  ALA   8           HB1      ALA   8  -5.464  -2.647 -11.884
   57    HB2  ALA   8           HB2      ALA   8  -5.685  -0.895 -11.887
   58    HB3  ALA   8           HB3      ALA   8  -6.664  -1.905 -10.824
   59    H    GLU   9           H        GLU   9  -6.378  -1.429  -8.371
   60    HA   GLU   9           HA       GLU   9  -6.651   1.351  -8.228
   61    HB2  GLU   9           HB2      GLU   9  -7.190  -0.567  -5.965
   62    HB3  GLU   9           HB3      GLU   9  -7.927   1.004  -6.228
   63    HG2  GLU   9           HG2      GLU   9  -9.562  -0.543  -6.840
   64    HG3  GLU   9           HG3      GLU   9  -8.888   0.026  -8.368
   65    H    ALA  10           H        ALA  10  -4.676  -0.897  -6.386
   66    HA   ALA  10           HA       ALA  10  -3.737   0.979  -4.488
   67    HB1  ALA  10           HB1      ALA  10  -2.496  -1.625  -5.363
   68    HB2  ALA  10           HB2      ALA  10  -3.709  -1.432  -4.096
   69    HB3  ALA  10           HB3      ALA  10  -2.105  -0.725  -3.896
   70    H    GLU  11           H        GLU  11  -2.197  -0.396  -7.407
   71    HA   GLU  11           HA       GLU  11   0.163   1.120  -7.202
   72    HB2  GLU  11           HB2      GLU  11  -1.129  -0.502  -9.311
   73    HB3  GLU  11           HB3      GLU  11   0.061   0.676  -9.848
   74    HG2  GLU  11           HG2      GLU  11   0.571  -1.417  -7.746
   75    HG3  GLU  11           HG3      GLU  11   0.989  -1.585  -9.450
   76    H    LYS  12           H        LYS  12  -2.946   1.880  -8.667
   77    HA   LYS  12           HA       LYS  12  -2.094   4.188 -10.063
   78    HB2  LYS  12           HB2      LYS  12  -4.780   3.348  -8.989
   79    HB3  LYS  12           HB3      LYS  12  -4.548   4.860  -9.854
   80    HG2  LYS  12           HG2      LYS  12  -3.824   3.671 -11.824
   81    HG3  LYS  12           HG3      LYS  12  -3.912   2.134 -10.962
   82    HD2  LYS  12           HD2      LYS  12  -5.869   2.415 -12.363
   83    HD3  LYS  12           HD3      LYS  12  -6.337   2.465 -10.661
   84    HE2  LYS  12           HE2      LYS  12  -6.352   4.928 -10.769
   85    HE3  LYS  12           HE3      LYS  12  -5.945   4.842 -12.482
   86    HZ1  LYS  12           HZ1      LYS  12  -8.405   3.726 -11.243
   87    HZ2  LYS  12           HZ2      LYS  12  -8.013   3.680 -12.892
   88    HZ3  LYS  12           HZ3      LYS  12  -8.316   5.167 -12.133
   89    H    MET  13           H        MET  13  -3.426   3.743  -6.800
   90    HA   MET  13           HA       MET  13  -3.292   6.533  -6.184
   91    HB2  MET  13           HB2      MET  13  -3.634   4.108  -4.412
   92    HB3  MET  13           HB3      MET  13  -3.694   5.767  -3.826
   93    HG2  MET  13           HG2      MET  13  -5.593   6.205  -5.330
   94    HG3  MET  13           HG3      MET  13  -5.548   4.520  -5.844
   95    HE1  MET  13           HE1      MET  13  -4.872   3.034  -3.095
   96    HE2  MET  13           HE2      MET  13  -6.076   2.480  -4.259
   97    HE3  MET  13           HE3      MET  13  -6.503   2.635  -2.554
   98    H    LEU  14           H        LEU  14  -1.145   3.792  -5.805
   99    HA   LEU  14           HA       LEU  14   0.755   5.174  -4.163
  100    HB2  LEU  14           HB2      LEU  14   0.564   2.710  -4.233
  101    HB3  LEU  14           HB3      LEU  14   1.122   2.727  -5.895
  102    HG   LEU  14           HG       LEU  14   3.278   3.699  -5.118
  103   HD11  LEU  14          HD11      LEU  14   2.499   4.734  -3.062
  104   HD12  LEU  14          HD12      LEU  14   3.818   3.608  -2.740
  105   HD13  LEU  14          HD13      LEU  14   2.155   3.145  -2.378
  106   HD21  LEU  14          HD21      LEU  14   3.018   1.300  -5.505
  107   HD22  LEU  14          HD22      LEU  14   2.515   1.084  -3.827
  108   HD23  LEU  14          HD23      LEU  14   4.151   1.632  -4.195
  109    H    GLY  15           H        GLY  15  -0.011   5.188  -7.487
  110    HA2  GLY  15           HA2      GLY  15   2.537   6.021  -8.493
  111    HA3  GLY  15           HA3      GLY  15   0.991   6.173  -9.317
  112    H    LYS  16           H        LYS  16  -0.042   7.555  -6.843
  113    HA   LYS  16           HA       LYS  16   0.514  10.239  -7.644
  114    HB2  LYS  16           HB2      LYS  16  -0.838   9.281  -5.116
  115    HB3  LYS  16           HB3      LYS  16  -0.960  10.883  -5.830
  116    HG2  LYS  16           HG2      LYS  16  -2.097   9.919  -7.778
  117    HG3  LYS  16           HG3      LYS  16  -2.001   8.323  -7.030
  118    HD2  LYS  16           HD2      LYS  16  -3.292   9.222  -5.099
  119    HD3  LYS  16           HD3      LYS  16  -3.489  10.733  -5.989
  120    HE2  LYS  16           HE2      LYS  16  -4.474   8.009  -6.833
  121    HE3  LYS  16           HE3      LYS  16  -5.462   9.341  -6.236
  122    HZ1  LYS  16           HZ1      LYS  16  -3.919   9.264  -8.772
  123    HZ2  LYS  16           HZ2      LYS  16  -4.690  10.649  -8.175
  124    HZ3  LYS  16           HZ3      LYS  16  -5.606   9.283  -8.601
  125    H    VAL  17           H        VAL  17   1.918   8.021  -5.477
  126    HA   VAL  17           HA       VAL  17   3.245  10.034  -3.855
  127    HB   VAL  17           HB       VAL  17   3.481   7.018  -3.843
  128   HG11  VAL  17          HG11      VAL  17   4.588   7.278  -1.689
  129   HG12  VAL  17          HG12      VAL  17   4.490   9.032  -1.838
  130   HG13  VAL  17          HG13      VAL  17   5.488   8.105  -2.960
  131   HG21  VAL  17          HG21      VAL  17   2.123   7.134  -1.800
  132   HG22  VAL  17          HG22      VAL  17   1.257   7.751  -3.207
  133   HG23  VAL  17          HG23      VAL  17   1.942   8.872  -2.030
  134    HA   PRO  18           HA       PRO  18   6.682  10.177  -6.730
  135    HB2  PRO  18           HB2      PRO  18   8.039  11.613  -4.546
  136    HB3  PRO  18           HB3      PRO  18   7.649  12.164  -6.176
  137    HG2  PRO  18           HG2      PRO  18   6.351  13.107  -4.025
  138    HG3  PRO  18           HG3      PRO  18   5.531  12.865  -5.579
  139    HD2  PRO  18           HD2      PRO  18   5.493  11.145  -3.125
  140    HD3  PRO  18           HD3      PRO  18   4.156  11.593  -4.206
  141    H    PHE  19           H        PHE  19   8.817   9.425  -6.860
  142    HA   PHE  19           HA       PHE  19   9.009   6.878  -5.713
  143    HB2  PHE  19           HB2      PHE  19   9.918   7.719  -7.949
  144    HB3  PHE  19           HB3      PHE  19  11.298   8.319  -7.033
  145    HD1  PHE  19           HD1      PHE  19   9.297   5.228  -7.479
  146    HD2  PHE  19           HD2      PHE  19  13.131   6.939  -6.798
  147    HE1  PHE  19           HE1      PHE  19  10.318   2.986  -7.611
  148    HE2  PHE  19           HE2      PHE  19  14.160   4.705  -6.933
  149    HZ   PHE  19           HZ       PHE  19  12.754   2.727  -7.340
  150    H    PHE  20           H        PHE  20  10.393   9.926  -4.716
  151    HA   PHE  20           HA       PHE  20  12.623   9.107  -3.289
  152    HB2  PHE  20           HB2      PHE  20  10.702  11.344  -2.617
  153    HB3  PHE  20           HB3      PHE  20  12.285  11.131  -1.881
  154    HD1  PHE  20           HD2      PHE  20  14.308  11.111  -3.469
  155    HD2  PHE  20           HD1      PHE  20  10.470  12.614  -4.512
  156    HE1  PHE  20           HE2      PHE  20  15.330  12.445  -5.270
  157    HE2  PHE  20           HE1      PHE  20  11.479  13.951  -6.319
  158    HZ   PHE  20           HZ       PHE  20  13.913  13.868  -6.697
  159    H    VAL  21           H        VAL  21   9.244   9.230  -2.246
  160    HA   VAL  21           HA       VAL  21  10.054   7.858   0.233
  161    HB   VAL  21           HB       VAL  21   8.100   8.798   1.321
  162   HG11  VAL  21          HG11      VAL  21   9.639  10.934  -0.159
  163   HG12  VAL  21          HG12      VAL  21  10.173  10.108   1.308
  164   HG13  VAL  21          HG13      VAL  21   8.747  11.145   1.352
  165   HG21  VAL  21          HG21      VAL  21   6.596   8.852  -0.616
  166   HG22  VAL  21          HG22      VAL  21   7.531  10.182  -1.302
  167   HG23  VAL  21          HG23      VAL  21   6.647  10.410   0.209
  168    H    ARG  22           H        ARG  22   8.825   7.210  -2.676
  169    HA   ARG  22           HA       ARG  22   6.404   5.876  -2.176
  170    HB2  ARG  22           HB2      ARG  22   7.409   6.603  -4.425
  171    HB3  ARG  22           HB3      ARG  22   8.314   5.095  -4.365
  172    HG2  ARG  22           HG2      ARG  22   6.241   3.832  -4.275
  173    HG3  ARG  22           HG3      ARG  22   5.314   5.331  -4.278
  174    HD2  ARG  22           HD2      ARG  22   6.357   5.874  -6.488
  175    HD3  ARG  22           HD3      ARG  22   7.067   4.257  -6.482
  176    HE   ARG  22           HE       ARG  22   4.157   4.741  -6.397
  177   HH11  ARG  22          HH11      ARG  22   6.943   3.055  -7.702
  178   HH12  ARG  22          HH12      ARG  22   5.990   1.885  -8.570
  179   HH21  ARG  22          HH21      ARG  22   2.910   3.182  -7.542
  180   HH22  ARG  22          HH22      ARG  22   3.710   1.958  -8.471
  181    H    LYS  23           H        LYS  23   9.749   4.790  -2.090
  182    HA   LYS  23           HA       LYS  23   9.216   2.031  -1.719
  183    HB2  LYS  23           HB2      LYS  23  11.615   3.664  -0.857
  184    HB3  LYS  23           HB3      LYS  23  11.545   1.909  -0.903
  185    HG2  LYS  23           HG2      LYS  23  11.252   1.962  -3.311
  186    HG3  LYS  23           HG3      LYS  23  11.267   3.727  -3.285
  187    HD2  LYS  23           HD2      LYS  23  13.449   2.924  -3.936
  188    HD3  LYS  23           HD3      LYS  23  13.553   3.650  -2.333
  189    HE2  LYS  23           HE2      LYS  23  14.827   1.613  -2.351
  190    HE3  LYS  23           HE3      LYS  23  13.397   1.382  -1.344
  191    HZ1  LYS  23           HZ1      LYS  23  13.647   0.500  -4.168
  192    HZ2  LYS  23           HZ2      LYS  23  12.336   0.198  -3.133
  193    HZ3  LYS  23           HZ3      LYS  23  13.844  -0.510  -2.820
  194    H    LYS  24           H        LYS  24   9.510   4.767   0.443
  195    HA   LYS  24           HA       LYS  24   9.533   3.348   2.886
  196    HB2  LYS  24           HB2      LYS  24  10.169   5.754   2.573
  197    HB3  LYS  24           HB3      LYS  24   8.465   6.133   2.370
  198    HG2  LYS  24           HG2      LYS  24   9.100   6.657   4.611
  199    HG3  LYS  24           HG3      LYS  24   8.052   5.239   4.647
  200    HD2  LYS  24           HD2      LYS  24   9.924   4.928   6.155
  201    HD3  LYS  24           HD3      LYS  24  10.032   3.795   4.807
  202    HE2  LYS  24           HE2      LYS  24  11.670   5.233   3.717
  203    HE3  LYS  24           HE3      LYS  24  11.545   6.395   5.036
  204    HZ1  LYS  24           HZ1      LYS  24  12.338   4.644   6.549
  205    HZ2  LYS  24           HZ2      LYS  24  13.475   5.034   5.356
  206    HZ3  LYS  24           HZ3      LYS  24  12.568   3.612   5.223
  207    H    VAL  25           H        VAL  25   6.939   4.767   0.938
  208    HA   VAL  25           HA       VAL  25   4.816   4.132   2.677
  209    HB   VAL  25           HB       VAL  25   4.726   4.453  -0.333
  210   HG11  VAL  25          HG11      VAL  25   2.733   3.340   0.508
  211   HG12  VAL  25          HG12      VAL  25   2.352   4.987   0.010
  212   HG13  VAL  25          HG13      VAL  25   2.518   4.600   1.722
  213   HG21  VAL  25          HG21      VAL  25   4.290   6.459   1.880
  214   HG22  VAL  25          HG22      VAL  25   4.034   6.758   0.159
  215   HG23  VAL  25          HG23      VAL  25   5.656   6.414   0.761
  216    H    ARG  26           H        ARG  26   6.270   2.339  -0.024
  217    HA   ARG  26           HA       ARG  26   4.433   0.218  -0.045
  218    HB2  ARG  26           HB2      ARG  26   7.197   0.580  -1.069
  219    HB3  ARG  26           HB3      ARG  26   6.605  -1.069  -0.907
  220    HG2  ARG  26           HG2      ARG  26   4.574  -0.319  -2.224
  221    HG3  ARG  26           HG3      ARG  26   5.481   1.150  -2.587
  222    HD2  ARG  26           HD2      ARG  26   7.196  -0.106  -3.691
  223    HD3  ARG  26           HD3      ARG  26   6.489  -1.633  -3.161
  224    HE   ARG  26           HE       ARG  26   4.666  -0.079  -4.725
  225   HH11  ARG  26          HH11      ARG  26   7.390  -2.273  -4.940
  226   HH12  ARG  26          HH12      ARG  26   6.945  -2.874  -6.512
  227   HH21  ARG  26          HH21      ARG  26   4.076  -0.847  -6.800
  228   HH22  ARG  26          HH22      ARG  26   5.086  -2.036  -7.583
  229    H    LYS  27           H        LYS  27   7.366   0.705   1.877
  230    HA   LYS  27           HA       LYS  27   7.436  -1.840   3.063
  231    HB2  LYS  27           HB2      LYS  27   9.301  -0.281   3.317
  232    HB3  LYS  27           HB3      LYS  27   8.280   0.819   4.238
  233    HG2  LYS  27           HG2      LYS  27   7.984  -1.026   5.921
  234    HG3  LYS  27           HG3      LYS  27   9.232  -1.917   5.052
  235    HD2  LYS  27           HD2      LYS  27   9.617   0.843   6.197
  236    HD3  LYS  27           HD3      LYS  27  10.043  -0.641   7.045
  237    HE2  LYS  27           HE2      LYS  27  11.587  -1.224   5.237
  238    HE3  LYS  27           HE3      LYS  27  11.161   0.266   4.396
  239    HZ1  LYS  27           HZ1      LYS  27  12.519   0.034   7.034
  240    HZ2  LYS  27           HZ2      LYS  27  11.974   1.492   6.370
  241    HZ3  LYS  27           HZ3      LYS  27  13.189   0.608   5.586
  242    H    ASN  28           H        ASN  28   5.733   1.121   3.992
  243    HA   ASN  28           HA       ASN  28   4.696   0.112   6.412
  244    HB2  ASN  28           HB2      ASN  28   3.789   2.382   4.643
  245    HB3  ASN  28           HB3      ASN  28   2.990   1.984   6.161
  246   HD21  ASN  28          HD21      ASN  28   4.292   4.435   5.539
  247   HD22  ASN  28          HD22      ASN  28   5.614   4.614   6.643
  248    H    THR  29           H        THR  29   3.318   0.234   3.128
  249    HA   THR  29           HA       THR  29   0.866  -0.970   3.870
  250    HB   THR  29           HB       THR  29   0.788  -1.654   1.418
  251    HG1  THR  29           HG1      THR  29   3.250  -1.221   1.366
  252   HG21  THR  29          HG21      THR  29   1.075   1.265   2.116
  253   HG22  THR  29          HG22      THR  29  -0.384   0.291   2.308
  254   HG23  THR  29          HG23      THR  29   0.252   0.618   0.695
  255    H    ASP  30           H        ASP  30   3.930  -2.293   2.697
  256    HA   ASP  30           HA       ASP  30   3.163  -4.967   2.433
  257    HB2  ASP  30           HB2      ASP  30   5.290  -4.313   1.575
  258    HB3  ASP  30           HB3      ASP  30   5.808  -3.682   3.135
  259    H    ASN  31           H        ASN  31   4.528  -3.228   5.206
  260    HA   ASN  31           HA       ASN  31   4.351  -5.357   7.031
  261    HB2  ASN  31           HB2      ASN  31   4.443  -2.370   7.384
  262    HB3  ASN  31           HB3      ASN  31   4.284  -3.450   8.763
  263   HD21  ASN  31          HD21      ASN  31   6.441  -1.628   8.078
  264   HD22  ASN  31          HD22      ASN  31   7.874  -2.593   7.971
  265    H    TYR  32           H        TYR  32   1.973  -2.984   5.942
  266    HA   TYR  32           HA       TYR  32   0.190  -3.456   8.133
  267    HB2  TYR  32           HB2      TYR  32   0.136  -1.332   6.921
  268    HB3  TYR  32           HB3      TYR  32  -0.347  -2.175   5.447
  269    HD1  TYR  32           HD1      TYR  32  -1.432  -1.914   9.011
  270    HD2  TYR  32           HD2      TYR  32  -2.605  -2.155   4.931
  271    HE1  TYR  32           HE1      TYR  32  -3.786  -1.732   9.684
  272    HE2  TYR  32           HE2      TYR  32  -4.965  -1.971   5.595
  273    HH   TYR  32           HH       TYR  32  -6.347  -2.414   7.600
  274    H    ALA  33           H        ALA  33   0.292  -4.511   4.758
  275    HA   ALA  33           HA       ALA  33  -2.127  -5.913   4.745
  276    HB1  ALA  33           HB1      ALA  33  -1.283  -7.033   2.767
  277    HB2  ALA  33           HB2      ALA  33   0.361  -6.523   3.153
  278    HB3  ALA  33           HB3      ALA  33  -0.857  -5.323   2.722
  279    H    ARG  34           H        ARG  34   1.173  -7.026   5.449
  280    HA   ARG  34           HA       ARG  34   0.404  -9.715   5.984
  281    HB2  ARG  34           HB2      ARG  34   2.867  -8.284   6.983
  282    HB3  ARG  34           HB3      ARG  34   2.650 -10.021   6.783
  283    HG2  ARG  34           HG2      ARG  34   2.437  -9.710   4.372
  284    HG3  ARG  34           HG3      ARG  34   2.686  -7.978   4.585
  285    HD2  ARG  34           HD2      ARG  34   4.896  -8.480   5.595
  286    HD3  ARG  34           HD3      ARG  34   4.642 -10.183   5.207
  287    HE   ARG  34           HE       ARG  34   4.864  -8.024   3.196
  288   HH11  ARG  34          HH11      ARG  34   5.293 -11.360   4.185
  289   HH12  ARG  34          HH12      ARG  34   6.112 -11.823   2.719
  290   HH21  ARG  34          HH21      ARG  34   5.901  -8.616   1.273
  291   HH22  ARG  34          HH22      ARG  34   6.446 -10.257   1.046
  292    H    GLU  35           H        GLU  35   0.303  -6.807   7.779
  293    HA   GLU  35           HA       GLU  35   0.433  -7.951  10.375
  294    HB2  GLU  35           HB2      GLU  35   0.940  -5.555   9.844
  295    HB3  GLU  35           HB3      GLU  35  -0.773  -5.304   9.550
  296    HG2  GLU  35           HG2      GLU  35  -1.276  -5.816  11.861
  297    HG3  GLU  35           HG3      GLU  35   0.426  -6.163  12.173
  298    H    ILE  36           H        ILE  36  -2.127  -7.240   8.086
  299    HA   ILE  36           HA       ILE  36  -4.129  -8.110  10.050
  300    HB   ILE  36           HB       ILE  36  -5.824  -7.212   8.476
  301   HG12  ILE  36          HG12      ILE  36  -3.412  -6.141   6.995
  302   HG13  ILE  36          HG13      ILE  36  -4.496  -7.398   6.408
  303   HG21  ILE  36          HG21      ILE  36  -3.694  -5.284   9.395
  304   HG22  ILE  36          HG22      ILE  36  -5.065  -5.869  10.339
  305   HG23  ILE  36          HG23      ILE  36  -5.336  -4.838   8.934
  306   HD11  ILE  36          HD11      ILE  36  -6.341  -5.783   6.413
  307   HD12  ILE  36          HD12      ILE  36  -5.010  -5.274   5.375
  308   HD13  ILE  36          HD13      ILE  36  -5.225  -4.531   6.959
  309    H    GLY  37           H        GLY  37  -2.428  -9.291   7.364
  310    HA2  GLY  37           HA2      GLY  37  -2.523 -11.659   6.987
  311    HA3  GLY  37           HA3      GLY  37  -4.233 -11.619   7.378
  312    H    GLU  38           H        GLU  38  -3.025  -9.149   5.295
  313    HA   GLU  38           HA       GLU  38  -4.541 -10.335   3.086
  314    HB2  GLU  38           HB2      GLU  38  -3.457  -7.543   3.505
  315    HB3  GLU  38           HB3      GLU  38  -4.321  -8.066   2.066
  316    HG2  GLU  38           HG2      GLU  38  -5.426  -8.016   4.862
  317    HG3  GLU  38           HG3      GLU  38  -5.763  -6.840   3.592
  318    HA   PRO  39           HA       PRO  39  -0.553 -11.170   1.128
  319    HB2  PRO  39           HB2      PRO  39  -2.029 -12.650  -0.861
  320    HB3  PRO  39           HB3      PRO  39  -0.962 -13.275   0.396
  321    HG2  PRO  39           HG2      PRO  39  -3.681 -13.674   0.344
  322    HG3  PRO  39           HG3      PRO  39  -2.693 -13.725   1.813
  323    HD2  PRO  39           HD2      PRO  39  -4.428 -11.526   0.769
  324    HD3  PRO  39           HD3      PRO  39  -4.173 -12.069   2.442
  325    H    VAL  40           H        VAL  40  -3.465  -9.795  -0.040
  326    HA   VAL  40           HA       VAL  40  -2.101  -8.702  -2.405
  327    HB   VAL  40           HB       VAL  40  -5.073  -9.125  -2.025
  328   HG11  VAL  40          HG11      VAL  40  -3.483  -8.198  -4.411
  329   HG12  VAL  40          HG12      VAL  40  -4.637  -7.249  -3.472
  330   HG13  VAL  40          HG13      VAL  40  -5.196  -8.614  -4.443
  331   HG21  VAL  40          HG21      VAL  40  -3.923 -11.256  -2.251
  332   HG22  VAL  40          HG22      VAL  40  -3.104 -10.677  -3.702
  333   HG23  VAL  40          HG23      VAL  40  -4.853 -10.900  -3.706
  334    H    VAL  41           H        VAL  41  -1.837  -6.564  -2.457
  335    HA   VAL  41           HA       VAL  41  -3.098  -4.935  -0.384
  336    HB   VAL  41           HB       VAL  41  -0.969  -4.152  -2.397
  337   HG11  VAL  41          HG11      VAL  41  -1.985  -2.727   0.063
  338   HG12  VAL  41          HG12      VAL  41  -2.273  -2.248  -1.611
  339   HG13  VAL  41          HG13      VAL  41  -0.639  -2.201  -0.947
  340   HG21  VAL  41          HG21      VAL  41   0.588  -4.276  -0.499
  341   HG22  VAL  41          HG22      VAL  41  -0.128  -5.846  -0.865
  342   HG23  VAL  41          HG23      VAL  41  -0.709  -4.910   0.512
  343    H    THR  42           H        THR  42  -5.128  -4.481  -0.987
  344    HA   THR  42           HA       THR  42  -5.692  -3.624  -3.724
  345    HB   THR  42           HB       THR  42  -8.089  -3.723  -2.920
  346    HG1  THR  42           HG1      THR  42  -7.594  -5.356  -0.819
  347   HG21  THR  42          HG21      THR  42  -8.184  -6.185  -2.926
  348   HG22  THR  42          HG22      THR  42  -6.437  -6.242  -2.688
  349   HG23  THR  42          HG23      THR  42  -7.102  -5.566  -4.173
  350    H    ALA  43           H        ALA  43  -7.569  -1.850  -3.701
  351    HA   ALA  43           HA       ALA  43  -6.572   0.579  -2.772
  352    HB1  ALA  43           HB1      ALA  43  -9.446  -0.154  -3.334
  353    HB2  ALA  43           HB2      ALA  43  -8.274   0.432  -4.515
  354    HB3  ALA  43           HB3      ALA  43  -8.808   1.486  -3.206
  355    H    ASP  44           H        ASP  44  -8.898  -1.640  -1.310
  356    HA   ASP  44           HA       ASP  44  -9.655  -0.158   0.922
  357    HB2  ASP  44           HB2      ASP  44 -10.654  -2.325   0.161
  358    HB3  ASP  44           HB3      ASP  44  -9.234  -3.156   0.784
  359    H    VAL  45           H        VAL  45  -7.032  -2.535   0.621
  360    HA   VAL  45           HA       VAL  45  -6.041  -2.276   3.241
  361    HB   VAL  45           HB       VAL  45  -4.546  -3.131   0.752
  362   HG11  VAL  45          HG11      VAL  45  -3.971  -3.669   3.665
  363   HG12  VAL  45          HG12      VAL  45  -3.055  -2.593   2.612
  364   HG13  VAL  45          HG13      VAL  45  -3.075  -4.328   2.297
  365   HG21  VAL  45          HG21      VAL  45  -5.120  -5.419   1.458
  366   HG22  VAL  45          HG22      VAL  45  -6.554  -4.463   1.085
  367   HG23  VAL  45          HG23      VAL  45  -6.104  -4.757   2.764
  368    H    PHE  46           H        PHE  46  -5.050  -0.734   0.201
  369    HA   PHE  46           HA       PHE  46  -2.870   0.705   1.273
  370    HB2  PHE  46           HB2      PHE  46  -3.261   0.285  -1.161
  371    HB3  PHE  46           HB3      PHE  46  -4.584   1.444  -1.115
  372    HD1  PHE  46           HD1      PHE  46  -0.935   1.044  -0.810
  373    HD2  PHE  46           HD2      PHE  46  -4.171   3.781  -1.187
  374    HE1  PHE  46           HE1      PHE  46   0.658   2.859  -1.272
  375    HE2  PHE  46           HE2      PHE  46  -2.582   5.602  -1.653
  376    HZ   PHE  46           HZ       PHE  46  -0.163   5.141  -1.695
  377    H    ARG  47           H        ARG  47  -6.306   1.386   1.062
  378    HA   ARG  47           HA       ARG  47  -6.134   4.140   1.746
  379    HB2  ARG  47           HB2      ARG  47  -8.095   2.808   0.674
  380    HB3  ARG  47           HB3      ARG  47  -8.541   2.441   2.333
  381    HG2  ARG  47           HG2      ARG  47  -8.755   4.801   2.831
  382    HG3  ARG  47           HG3      ARG  47  -8.216   5.209   1.200
  383    HD2  ARG  47           HD2      ARG  47 -10.203   3.733   0.438
  384    HD3  ARG  47           HD3      ARG  47 -10.796   3.971   2.082
  385    HE   ARG  47           HE       ARG  47 -10.077   6.450   0.937
  386   HH11  ARG  47          HH11      ARG  47 -12.596   4.016   0.851
  387   HH12  ARG  47          HH12      ARG  47 -13.790   5.100   0.214
  388   HH21  ARG  47          HH21      ARG  47 -11.639   7.866   0.102
  389   HH22  ARG  47          HH22      ARG  47 -13.242   7.279  -0.235
  390    H    LYS  48           H        LYS  48  -6.871   1.211   3.631
  391    HA   LYS  48           HA       LYS  48  -7.157   2.530   6.110
  392    HB2  LYS  48           HB2      LYS  48  -6.388  -0.322   5.498
  393    HB3  LYS  48           HB3      LYS  48  -6.696   0.276   7.118
  394    HG2  LYS  48           HG2      LYS  48  -8.983   1.021   6.006
  395    HG3  LYS  48           HG3      LYS  48  -8.587  -0.318   4.921
  396    HD2  LYS  48           HD2      LYS  48  -8.238  -1.750   6.938
  397    HD3  LYS  48           HD3      LYS  48  -8.832  -0.418   7.927
  398    HE2  LYS  48           HE2      LYS  48 -10.740  -1.664   7.667
  399    HE3  LYS  48           HE3      LYS  48 -10.890  -0.528   6.327
  400    HZ1  LYS  48           HZ1      LYS  48 -11.380  -2.780   5.622
  401    HZ2  LYS  48           HZ2      LYS  48  -9.857  -3.309   6.142
  402    HZ3  LYS  48           HZ3      LYS  48  -9.980  -2.219   4.844
  403    H    ALA  49           H        ALA  49  -4.369   1.288   4.397
  404    HA   ALA  49           HA       ALA  49  -2.501   1.298   6.481
  405    HB1  ALA  49           HB1      ALA  49  -1.998   1.844   3.559
  406    HB2  ALA  49           HB2      ALA  49  -2.114   0.246   4.297
  407    HB3  ALA  49           HB3      ALA  49  -0.801   1.335   4.748
  408    H    LYS  50           H        LYS  50  -3.828   3.908   4.609
  409    HA   LYS  50           HA       LYS  50  -1.824   5.831   5.245
  410    HB2  LYS  50           HB2      LYS  50  -4.672   6.070   4.275
  411    HB3  LYS  50           HB3      LYS  50  -3.668   7.475   4.588
  412    HG2  LYS  50           HG2      LYS  50  -2.139   6.858   2.865
  413    HG3  LYS  50           HG3      LYS  50  -2.936   5.296   2.646
  414    HD2  LYS  50           HD2      LYS  50  -4.816   6.260   1.659
  415    HD3  LYS  50           HD3      LYS  50  -4.459   7.857   2.317
  416    HE2  LYS  50           HE2      LYS  50  -2.852   6.445   0.191
  417    HE3  LYS  50           HE3      LYS  50  -4.043   7.710  -0.106
  418    HZ1  LYS  50           HZ1      LYS  50  -2.083   8.883  -0.066
  419    HZ2  LYS  50           HZ2      LYS  50  -1.388   7.923   1.149
  420    HZ3  LYS  50           HZ3      LYS  50  -2.591   9.050   1.545
  421    H    GLU  51           H        GLU  51  -4.914   4.917   6.661
  422    HA   GLU  51           HA       GLU  51  -4.888   6.995   8.641
  423    HB2  GLU  51           HB2      GLU  51  -6.991   6.065   7.839
  424    HB3  GLU  51           HB3      GLU  51  -6.526   4.464   8.395
  425    HG2  GLU  51           HG2      GLU  51  -6.552   5.286  10.712
  426    HG3  GLU  51           HG3      GLU  51  -7.080   6.865  10.128
  427    H    HIS  52           H        HIS  52  -4.165   3.560   8.550
  428    HA   HIS  52           HA       HIS  52  -3.651   3.283  11.339
  429    HB2  HIS  52           HB2      HIS  52  -4.374   1.448   9.815
  430    HB3  HIS  52           HB3      HIS  52  -2.800   1.511   9.039
  431    HD1  HIS  52           HD1      HIS  52  -4.532   0.326  12.126
  432    HD2  HIS  52           HD2      HIS  52  -0.716   0.285  10.461
  433    HE1  HIS  52           HE1      HIS  52  -3.223  -1.351  13.461
  434    HE2  HIS  52           HE2      HIS  52  -1.047  -1.591  12.223
  435    H    LEU  53           H        LEU  53  -1.752   4.259   8.606
  436    HA   LEU  53           HA       LEU  53   0.639   4.444  10.304
  437    HB2  LEU  53           HB2      LEU  53   0.631   3.357   7.490
  438    HB3  LEU  53           HB3      LEU  53   2.032   3.560   8.520
  439    HG   LEU  53           HG       LEU  53  -0.203   1.763   9.383
  440   HD11  LEU  53          HD11      LEU  53   0.807  -0.089   8.234
  441   HD12  LEU  53          HD12      LEU  53   2.083   0.950   7.598
  442   HD13  LEU  53          HD13      LEU  53   0.416   1.168   7.055
  443   HD21  LEU  53          HD21      LEU  53   1.598   2.346  10.964
  444   HD22  LEU  53          HD22      LEU  53   2.782   1.697   9.829
  445   HD23  LEU  53          HD23      LEU  53   1.589   0.628  10.565
  446    H    GLY  54           H        GLY  54  -0.044   4.914   6.861
  447    HA2  GLY  54           HA2      GLY  54  -0.288   7.051   5.804
  448    HA3  GLY  54           HA3      GLY  54   0.592   7.772   7.147
  449    H    GLY  55           H        GLY  55   1.923   8.778   5.554
  450    HA2  GLY  55           HA2      GLY  55   4.331   7.301   5.103
  451    HA3  GLY  55           HA3      GLY  55   3.442   7.553   3.605
  452    H    LEU  56           H        LEU  56   2.618   9.894   3.394
  453    HA   LEU  56           HA       LEU  56   4.467  11.858   4.508
  454    HB2  LEU  56           HB2      LEU  56   5.152  10.903   2.135
  455    HB3  LEU  56           HB3      LEU  56   3.895  11.982   1.568
  456    HG   LEU  56           HG       LEU  56   6.304  12.855   3.173
  457   HD11  LEU  56          HD11      LEU  56   7.112  13.798   1.069
  458   HD12  LEU  56          HD12      LEU  56   5.738  13.091   0.222
  459   HD13  LEU  56          HD13      LEU  56   6.945  12.045   0.967
  460   HD21  LEU  56          HD21      LEU  56   4.225  14.466   1.697
  461   HD22  LEU  56          HD22      LEU  56   5.642  15.108   2.527
  462   HD23  LEU  56          HD23      LEU  56   4.361  14.319   3.450
  463    H    GLU  57           H        GLU  57   2.837  12.807   5.653
  464    HA   GLU  57           HA       GLU  57   0.258  13.263   4.397
  465    HB2  GLU  57           HB2      GLU  57   1.294  13.635   7.201
  466    HB3  GLU  57           HB3      GLU  57  -0.284  14.229   6.713
  467    HG2  GLU  57           HG2      GLU  57  -0.523  12.114   7.806
  468    HG3  GLU  57           HG3      GLU  57  -0.936  11.939   6.103
  469    H    HIS  58           H        HIS  58   2.965  14.818   4.019
  470    HA   HIS  58           HA       HIS  58   3.528  16.876   3.236
  471    HB2  HIS  58           HB2      HIS  58   1.093  16.818   2.358
  472    HB3  HIS  58           HB3      HIS  58   0.715  17.850   3.728
  473    HD1  HIS  58           HD1      HIS  58   0.349  18.742   0.779
  474    HD2  HIS  58           HD2      HIS  58   3.662  19.624   3.135
  475    HE1  HIS  58           HE1      HIS  58   1.375  20.802  -0.235
  476    HE2  HIS  58           HE2      HIS  58   3.486  21.199   1.088
  477    H    HIS  59           H        HIS  59   4.536  18.532   4.211
  478    HA   HIS  59           HA       HIS  59   5.190  20.050   5.774
  479    HB2  HIS  59           HB2      HIS  59   2.697  20.637   5.740
  480    HB3  HIS  59           HB3      HIS  59   2.543  19.636   7.176
  481    HD1  HIS  59           HD1      HIS  59   2.903  20.803   9.352
  482    HD2  HIS  59           HD2      HIS  59   4.528  22.889   6.144
  483    HE1  HIS  59           HE1      HIS  59   3.678  23.005  10.293
  484    HE2  HIS  59           HE2      HIS  59   4.406  24.336   8.281
  485    H    HIS  60           H        HIS  60   5.850  17.334   5.978
  486    HA   HIS  60           HA       HIS  60   5.556  16.569   8.766
  487    HB2  HIS  60           HB2      HIS  60   6.517  14.464   8.171
  488    HB3  HIS  60           HB3      HIS  60   5.401  14.891   6.886
  489    HD1  HIS  60           HD1      HIS  60   6.627  15.921   4.657
  490    HD2  HIS  60           HD2      HIS  60   9.021  13.817   7.329
  491    HE1  HIS  60           HE1      HIS  60   8.669  15.262   3.362
  492    HE2  HIS  60           HE2      HIS  60  10.183  14.159   5.037
  493    H    HIS  61           H        HIS  61   7.428  15.966  10.067
  494    HA   HIS  61           HA       HIS  61   9.355  18.063  10.124
  495    HB2  HIS  61           HB2      HIS  61   9.176  15.477  11.674
  496    HB3  HIS  61           HB3      HIS  61  10.391  16.709  11.973
  497    HD1  HIS  61           HD1      HIS  61   7.398  15.581  13.362
  498    HD2  HIS  61           HD2      HIS  61   8.855  19.360  12.434
  499    HE1  HIS  61           HE1      HIS  61   6.108  17.176  14.808
  500    HE2  HIS  61           HE2      HIS  61   7.151  19.429  14.382
  501    H    HIS  62           H        HIS  62  11.542  18.010   9.790
  502    HA   HIS  62           HA       HIS  62  12.616  15.637   8.395
  503    HB2  HIS  62           HB2      HIS  62  13.646  18.492   8.361
  504    HB3  HIS  62           HB3      HIS  62  14.360  17.133   7.499
  505    HD1  HIS  62           HD1      HIS  62  13.376  16.528   5.250
  506    HD2  HIS  62           HD2      HIS  62  11.127  19.361   7.309
  507    HE1  HIS  62           HE1      HIS  62  11.634  17.327   3.624
  508    HE2  HIS  62           HE2      HIS  62  10.144  18.849   4.970
  509    H    HIS  63           H        HIS  63  13.520  18.271  10.560
  510    HA   HIS  63           HA       HIS  63  14.123  16.600  12.725
  511    HB2  HIS  63           HB2      HIS  63  16.175  16.063  11.484
  512    HB3  HIS  63           HB3      HIS  63  16.550  17.778  11.333
  513    HD1  HIS  63           HD1      HIS  63  15.633  15.607  14.342
  514    HD2  HIS  63           HD2      HIS  63  18.517  18.336  13.092
  515    HE1  HIS  63           HE1      HIS  63  17.182  15.907  16.301
  516    HE2  HIS  63           HE2      HIS  63  18.898  17.590  15.542
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1   8.034 -15.537  -1.710
    2    H2   MET   1           H2       MET   1   7.679 -15.381  -0.060
    3    H3   MET   1           H3       MET   1   9.138 -14.778  -0.669
    4    HA   MET   1           HA       MET   1   7.881 -13.200  -2.048
    5    HB2  MET   1           HB2      MET   1   5.576 -14.222  -0.369
    6    HB3  MET   1           HB3      MET   1   5.519 -12.792  -1.386
    7    HG2  MET   1           HG2      MET   1   5.897 -14.176  -3.361
    8    HG3  MET   1           HG3      MET   1   5.951 -15.613  -2.341
    9    HE1  MET   1           HE1      MET   1   3.981 -15.158  -4.904
   10    HE2  MET   1           HE2      MET   1   2.526 -15.923  -4.268
   11    HE3  MET   1           HE3      MET   1   4.104 -16.658  -3.979
   12    H    GLY   2           H        GLY   2   9.235 -11.767  -1.040
   13    HA2  GLY   2           HA2      GLY   2   8.970 -11.247   1.804
   14    HA3  GLY   2           HA3      GLY   2  10.085 -10.460   0.693
   15    H    GLU   3           H        GLU   3   7.836  -9.944  -1.171
   16    HA   GLU   3           HA       GLU   3   6.542  -7.733   0.277
   17    HB2  GLU   3           HB2      GLU   3   7.396  -7.862  -2.624
   18    HB3  GLU   3           HB3      GLU   3   6.535  -6.519  -1.882
   19    HG2  GLU   3           HG2      GLU   3   8.369  -5.937  -0.543
   20    HG3  GLU   3           HG3      GLU   3   9.182  -7.468  -0.850
   21    H    LEU   4           H        LEU   4   4.413  -7.068  -0.816
   22    HA   LEU   4           HA       LEU   4   2.995  -9.586  -1.366
   23    HB2  LEU   4           HB2      LEU   4   2.019  -7.007  -0.157
   24    HB3  LEU   4           HB3      LEU   4   0.980  -8.363  -0.557
   25    HG   LEU   4           HG       LEU   4   3.235  -8.407   1.451
   26   HD11  LEU   4          HD11      LEU   4   1.474  -8.628   3.101
   27   HD12  LEU   4          HD12      LEU   4   0.251  -8.526   1.834
   28   HD13  LEU   4          HD13      LEU   4   1.280  -7.135   2.185
   29   HD21  LEU   4          HD21      LEU   4   2.952 -10.556   0.308
   30   HD22  LEU   4          HD22      LEU   4   1.237 -10.543   0.716
   31   HD23  LEU   4          HD23      LEU   4   2.447 -10.646   1.997
   32    H    SER   5           H        SER   5   0.745  -9.026  -2.466
   33    HA   SER   5           HA       SER   5   1.533  -8.024  -5.085
   34    HB2  SER   5           HB2      SER   5  -1.013  -9.443  -4.283
   35    HB3  SER   5           HB3      SER   5  -0.391  -9.215  -5.917
   36    HG   SER   5           HG       SER   5   1.513 -10.382  -4.493
   37    H    TRP   6           H        TRP   6   1.288  -5.889  -5.277
   38    HA   TRP   6           HA       TRP   6  -0.978  -4.514  -4.114
   39    HB2  TRP   6           HB2      TRP   6   1.396  -3.611  -5.740
   40    HB3  TRP   6           HB3      TRP   6   0.071  -2.524  -5.344
   41    HD1  TRP   6           HD1      TRP   6   2.253  -4.967  -3.214
   42    HE1  TRP   6           HE1      TRP   6   2.991  -3.701  -1.090
   43    HE3  TRP   6           HE3      TRP   6   0.016  -0.470  -4.146
   44    HZ2  TRP   6           HZ2      TRP   6   2.667  -1.131   0.019
   45    HZ3  TRP   6           HZ3      TRP   6   0.286   1.343  -2.505
   46    HH2  TRP   6           HH2      TRP   6   1.584   1.018  -0.467
   47    H    THR   7           H        THR   7  -2.793  -3.874  -5.188
   48    HA   THR   7           HA       THR   7  -3.157  -4.881  -7.883
   49    HB   THR   7           HB       THR   7  -5.497  -4.098  -7.641
   50    HG1  THR   7           HG1      THR   7  -6.156  -3.205  -5.661
   51   HG21  THR   7          HG21      THR   7  -4.478  -5.729  -5.307
   52   HG22  THR   7          HG22      THR   7  -4.901  -6.349  -6.905
   53   HG23  THR   7          HG23      THR   7  -6.151  -5.665  -5.866
   54    H    ALA   8           H        ALA   8  -4.164  -3.494  -9.556
   55    HA   ALA   8           HA       ALA   8  -2.628  -1.224 -10.125
   56    HB1  ALA   8           HB1      ALA   8  -4.186  -0.841 -11.967
   57    HB2  ALA   8           HB2      ALA   8  -5.322  -1.986 -11.256
   58    HB3  ALA   8           HB3      ALA   8  -3.757  -2.546 -11.844
   59    H    GLU   9           H        GLU   9  -5.595  -1.613  -8.363
   60    HA   GLU   9           HA       GLU   9  -6.534   1.016  -8.263
   61    HB2  GLU   9           HB2      GLU   9  -6.467  -0.832  -5.882
   62    HB3  GLU   9           HB3      GLU   9  -7.645   0.419  -6.245
   63    HG2  GLU   9           HG2      GLU   9  -8.515  -0.890  -8.081
   64    HG3  GLU   9           HG3      GLU   9  -7.292  -2.131  -7.798
   65    H    ALA  10           H        ALA  10  -4.249  -0.674  -6.148
   66    HA   ALA  10           HA       ALA  10  -3.670   1.604  -4.543
   67    HB1  ALA  10           HB1      ALA  10  -3.438  -0.664  -3.676
   68    HB2  ALA  10           HB2      ALA  10  -1.908   0.209  -3.570
   69    HB3  ALA  10           HB3      ALA  10  -2.155  -0.986  -4.844
   70    H    GLU  11           H        GLU  11  -1.978  -0.038  -7.197
   71    HA   GLU  11           HA       GLU  11   0.326   1.545  -7.259
   72    HB2  GLU  11           HB2      GLU  11  -1.131   0.081  -9.458
   73    HB3  GLU  11           HB3      GLU  11   0.421   0.870  -9.697
   74    HG2  GLU  11           HG2      GLU  11  -0.067  -1.281  -7.656
   75    HG3  GLU  11           HG3      GLU  11   0.527  -1.586  -9.287
   76    H    LYS  12           H        LYS  12  -2.880   2.126  -8.550
   77    HA   LYS  12           HA       LYS  12  -2.271   4.312 -10.215
   78    HB2  LYS  12           HB2      LYS  12  -4.432   3.005 -10.126
   79    HB3  LYS  12           HB3      LYS  12  -4.831   3.889  -8.660
   80    HG2  LYS  12           HG2      LYS  12  -5.955   4.947 -10.452
   81    HG3  LYS  12           HG3      LYS  12  -4.619   6.002  -9.986
   82    HD2  LYS  12           HD2      LYS  12  -4.772   5.847 -12.409
   83    HD3  LYS  12           HD3      LYS  12  -3.280   5.097 -11.841
   84    HE2  LYS  12           HE2      LYS  12  -4.389   2.886 -11.966
   85    HE3  LYS  12           HE3      LYS  12  -5.817   3.671 -12.638
   86    HZ1  LYS  12           HZ1      LYS  12  -4.438   2.724 -14.371
   87    HZ2  LYS  12           HZ2      LYS  12  -3.113   3.655 -13.864
   88    HZ3  LYS  12           HZ3      LYS  12  -4.490   4.415 -14.508
   89    H    MET  13           H        MET  13  -3.364   4.163  -6.849
   90    HA   MET  13           HA       MET  13  -3.301   6.995  -6.481
   91    HB2  MET  13           HB2      MET  13  -3.486   4.727  -4.492
   92    HB3  MET  13           HB3      MET  13  -3.657   6.427  -4.075
   93    HG2  MET  13           HG2      MET  13  -5.625   6.617  -5.431
   94    HG3  MET  13           HG3      MET  13  -5.425   4.970  -6.026
   95    HE1  MET  13           HE1      MET  13  -4.597   3.341  -3.497
   96    HE2  MET  13           HE2      MET  13  -5.870   2.799  -4.590
   97    HE3  MET  13           HE3      MET  13  -6.156   2.830  -2.852
   98    H    LEU  14           H        LEU  14  -1.088   4.348  -5.890
   99    HA   LEU  14           HA       LEU  14   0.771   5.910  -4.366
  100    HB2  LEU  14           HB2      LEU  14   0.520   3.420  -4.219
  101    HB3  LEU  14           HB3      LEU  14   1.238   3.302  -5.813
  102    HG   LEU  14           HG       LEU  14   3.306   4.351  -4.917
  103   HD11  LEU  14          HD11      LEU  14   1.910   4.050  -2.262
  104   HD12  LEU  14          HD12      LEU  14   2.338   5.569  -3.048
  105   HD13  LEU  14          HD13      LEU  14   3.606   4.478  -2.489
  106   HD21  LEU  14          HD21      LEU  14   4.065   2.380  -3.683
  107   HD22  LEU  14          HD22      LEU  14   3.120   1.928  -5.103
  108   HD23  LEU  14          HD23      LEU  14   2.392   1.852  -3.499
  109    H    GLY  15           H        GLY  15   0.080   5.494  -7.688
  110    HA2  GLY  15           HA2      GLY  15   2.610   6.132  -8.798
  111    HA3  GLY  15           HA3      GLY  15   1.054   6.311  -9.600
  112    H    LYS  16           H        LYS  16   0.178   8.030  -7.275
  113    HA   LYS  16           HA       LYS  16   1.094  10.560  -8.317
  114    HB2  LYS  16           HB2      LYS  16  -0.681   9.936  -5.950
  115    HB3  LYS  16           HB3      LYS  16  -0.454  11.523  -6.672
  116    HG2  LYS  16           HG2      LYS  16  -1.434  10.684  -8.771
  117    HG3  LYS  16           HG3      LYS  16  -1.717   9.126  -7.989
  118    HD2  LYS  16           HD2      LYS  16  -3.745  10.467  -7.971
  119    HD3  LYS  16           HD3      LYS  16  -3.148  10.238  -6.327
  120    HE2  LYS  16           HE2      LYS  16  -3.867  12.541  -6.667
  121    HE3  LYS  16           HE3      LYS  16  -2.127  12.463  -6.390
  122    HZ1  LYS  16           HZ1      LYS  16  -3.465  12.754  -9.026
  123    HZ2  LYS  16           HZ2      LYS  16  -1.791  12.635  -8.792
  124    HZ3  LYS  16           HZ3      LYS  16  -2.638  13.973  -8.185
  125    H    VAL  17           H        VAL  17   2.016   8.379  -5.911
  126    HA   VAL  17           HA       VAL  17   3.203  10.319  -4.120
  127    HB   VAL  17           HB       VAL  17   3.231   7.294  -4.096
  128   HG11  VAL  17          HG11      VAL  17   5.160   8.175  -2.907
  129   HG12  VAL  17          HG12      VAL  17   3.994   7.491  -1.775
  130   HG13  VAL  17          HG13      VAL  17   4.114   9.241  -1.967
  131   HG21  VAL  17          HG21      VAL  17   1.005   8.187  -3.793
  132   HG22  VAL  17          HG22      VAL  17   1.583   9.271  -2.527
  133   HG23  VAL  17          HG23      VAL  17   1.599   7.526  -2.270
  134    HA   PRO  18           HA       PRO  18   7.038  10.529  -6.415
  135    HB2  PRO  18           HB2      PRO  18   8.062  11.308  -3.733
  136    HB3  PRO  18           HB3      PRO  18   8.234  12.132  -5.287
  137    HG2  PRO  18           HG2      PRO  18   6.548  13.052  -3.449
  138    HG3  PRO  18           HG3      PRO  18   6.114  13.073  -5.171
  139    HD2  PRO  18           HD2      PRO  18   5.212  11.221  -3.004
  140    HD3  PRO  18           HD3      PRO  18   4.295  11.902  -4.364
  141    H    PHE  19           H        PHE  19   8.777   9.226  -6.707
  142    HA   PHE  19           HA       PHE  19   8.728   6.658  -5.681
  143    HB2  PHE  19           HB2      PHE  19  10.878   6.309  -6.784
  144    HB3  PHE  19           HB3      PHE  19   9.790   7.240  -7.805
  145    HD1  PHE  19           HD2      PHE  19  10.150   9.700  -8.054
  146    HD2  PHE  19           HD1      PHE  19  12.961   7.169  -6.107
  147    HE1  PHE  19           HE2      PHE  19  11.889  11.418  -8.333
  148    HE2  PHE  19           HE1      PHE  19  14.704   8.881  -6.385
  149    HZ   PHE  19           HZ       PHE  19  14.166  11.008  -7.500
  150    H    PHE  20           H        PHE  20  10.340   9.448  -4.353
  151    HA   PHE  20           HA       PHE  20  12.207   8.244  -2.673
  152    HB2  PHE  20           HB2      PHE  20  10.482  10.678  -2.155
  153    HB3  PHE  20           HB3      PHE  20  11.850  10.208  -1.158
  154    HD1  PHE  20           HD2      PHE  20  14.127  10.096  -2.260
  155    HD2  PHE  20           HD1      PHE  20  10.763  12.013  -4.009
  156    HE1  PHE  20           HE2      PHE  20  15.633  11.396  -3.704
  157    HE2  PHE  20           HE1      PHE  20  12.259  13.323  -5.464
  158    HZ   PHE  20           HZ       PHE  20  14.699  13.015  -5.310
  159    H    VAL  21           H        VAL  21   8.993   9.368  -1.705
  160    HA   VAL  21           HA       VAL  21   9.111   7.744   0.672
  161    HB   VAL  21           HB       VAL  21   6.985   8.818   1.273
  162   HG11  VAL  21          HG11      VAL  21   9.096  10.720   0.254
  163   HG12  VAL  21          HG12      VAL  21   9.070   9.927   1.832
  164   HG13  VAL  21          HG13      VAL  21   7.837  11.122   1.427
  165   HG21  VAL  21          HG21      VAL  21   6.014   8.998  -0.968
  166   HG22  VAL  21          HG22      VAL  21   7.216  10.216  -1.394
  167   HG23  VAL  21          HG23      VAL  21   6.022  10.554  -0.141
  168    H    ARG  22           H        ARG  22   8.007   7.350  -2.498
  169    HA   ARG  22           HA       ARG  22   5.776   5.691  -2.137
  170    HB2  ARG  22           HB2      ARG  22   6.416   6.595  -4.325
  171    HB3  ARG  22           HB3      ARG  22   7.870   5.605  -4.321
  172    HG2  ARG  22           HG2      ARG  22   6.414   3.589  -4.250
  173    HG3  ARG  22           HG3      ARG  22   5.020   4.653  -4.446
  174    HD2  ARG  22           HD2      ARG  22   7.333   4.450  -6.367
  175    HD3  ARG  22           HD3      ARG  22   5.779   3.643  -6.568
  176    HE   ARG  22           HE       ARG  22   5.668   6.527  -6.266
  177   HH11  ARG  22          HH11      ARG  22   5.783   3.802  -8.446
  178   HH12  ARG  22          HH12      ARG  22   5.140   4.677  -9.799
  179   HH21  ARG  22          HH21      ARG  22   4.858   7.709  -8.045
  180   HH22  ARG  22          HH22      ARG  22   4.610   6.913  -9.570
  181    H    LYS  23           H        LYS  23   9.222   4.916  -2.409
  182    HA   LYS  23           HA       LYS  23   9.038   2.138  -2.071
  183    HB2  LYS  23           HB2      LYS  23  11.078   3.230  -2.838
  184    HB3  LYS  23           HB3      LYS  23  11.239   4.071  -1.305
  185    HG2  LYS  23           HG2      LYS  23  11.525   1.870  -0.190
  186    HG3  LYS  23           HG3      LYS  23  11.510   1.113  -1.786
  187    HD2  LYS  23           HD2      LYS  23  13.460   3.241  -0.906
  188    HD3  LYS  23           HD3      LYS  23  13.796   1.509  -0.908
  189    HE2  LYS  23           HE2      LYS  23  13.585   1.396  -3.281
  190    HE3  LYS  23           HE3      LYS  23  12.970   3.046  -3.364
  191    HZ1  LYS  23           HZ1      LYS  23  15.391   2.677  -3.963
  192    HZ2  LYS  23           HZ2      LYS  23  15.669   2.442  -2.306
  193    HZ3  LYS  23           HZ3      LYS  23  15.061   3.924  -2.863
  194    H    LYS  24           H        LYS  24   9.285   4.781   0.216
  195    HA   LYS  24           HA       LYS  24   9.603   3.269   2.569
  196    HB2  LYS  24           HB2      LYS  24  10.072   5.703   2.321
  197    HB3  LYS  24           HB3      LYS  24   8.345   5.998   2.233
  198    HG2  LYS  24           HG2      LYS  24   8.073   5.139   4.495
  199    HG3  LYS  24           HG3      LYS  24   9.808   4.833   4.587
  200    HD2  LYS  24           HD2      LYS  24  10.230   7.236   4.241
  201    HD3  LYS  24           HD3      LYS  24   8.490   7.521   4.203
  202    HE2  LYS  24           HE2      LYS  24   9.371   8.058   6.393
  203    HE3  LYS  24           HE3      LYS  24   8.315   6.650   6.492
  204    HZ1  LYS  24           HZ1      LYS  24  10.280   6.291   7.793
  205    HZ2  LYS  24           HZ2      LYS  24  11.284   6.628   6.469
  206    HZ3  LYS  24           HZ3      LYS  24  10.310   5.245   6.460
  207    H    VAL  25           H        VAL  25   6.727   4.583   0.953
  208    HA   VAL  25           HA       VAL  25   4.919   3.648   2.948
  209    HB   VAL  25           HB       VAL  25   4.391   4.600   0.129
  210   HG11  VAL  25          HG11      VAL  25   2.583   3.138   0.903
  211   HG12  VAL  25          HG12      VAL  25   2.054   4.817   0.792
  212   HG13  VAL  25          HG13      VAL  25   2.423   4.113   2.365
  213   HG21  VAL  25          HG21      VAL  25   3.637   6.654   1.239
  214   HG22  VAL  25          HG22      VAL  25   5.334   6.311   1.580
  215   HG23  VAL  25          HG23      VAL  25   4.103   5.975   2.799
  216    H    ARG  26           H        ARG  26   5.951   2.391  -0.218
  217    HA   ARG  26           HA       ARG  26   4.004   0.401  -0.472
  218    HB2  ARG  26           HB2      ARG  26   5.504   1.029  -2.315
  219    HB3  ARG  26           HB3      ARG  26   6.865   0.318  -1.455
  220    HG2  ARG  26           HG2      ARG  26   5.802  -1.877  -1.573
  221    HG3  ARG  26           HG3      ARG  26   4.442  -1.172  -2.444
  222    HD2  ARG  26           HD2      ARG  26   7.305  -1.192  -3.386
  223    HD3  ARG  26           HD3      ARG  26   6.047  -2.301  -3.929
  224    HE   ARG  26           HE       ARG  26   6.365   0.498  -4.655
  225   HH11  ARG  26          HH11      ARG  26   4.267  -2.315  -4.655
  226   HH12  ARG  26          HH12      ARG  26   3.347  -1.789  -6.040
  227   HH21  ARG  26          HH21      ARG  26   5.145   1.181  -6.470
  228   HH22  ARG  26          HH22      ARG  26   3.824   0.206  -7.049
  229    H    LYS  27           H        LYS  27   7.306   0.110   0.853
  230    HA   LYS  27           HA       LYS  27   7.018  -2.594   1.600
  231    HB2  LYS  27           HB2      LYS  27   9.218  -1.624   1.312
  232    HB3  LYS  27           HB3      LYS  27   8.926  -0.487   2.622
  233    HG2  LYS  27           HG2      LYS  27   9.063  -2.147   4.255
  234    HG3  LYS  27           HG3      LYS  27   8.834  -3.446   3.084
  235    HD2  LYS  27           HD2      LYS  27  11.252  -1.646   3.189
  236    HD3  LYS  27           HD3      LYS  27  11.165  -3.251   3.916
  237    HE2  LYS  27           HE2      LYS  27  10.616  -4.165   1.665
  238    HE3  LYS  27           HE3      LYS  27  10.902  -2.561   0.995
  239    HZ1  LYS  27           HZ1      LYS  27  12.897  -4.217   2.446
  240    HZ2  LYS  27           HZ2      LYS  27  13.178  -2.669   1.817
  241    HZ3  LYS  27           HZ3      LYS  27  12.845  -3.962   0.769
  242    H    ASN  28           H        ASN  28   6.111   0.373   3.143
  243    HA   ASN  28           HA       ASN  28   5.921  -0.638   5.803
  244    HB2  ASN  28           HB2      ASN  28   6.075   1.813   5.125
  245    HB3  ASN  28           HB3      ASN  28   4.396   1.692   4.618
  246   HD21  ASN  28          HD21      ASN  28   5.720   3.304   6.698
  247   HD22  ASN  28          HD22      ASN  28   4.863   2.958   8.161
  248    H    THR  29           H        THR  29   3.723  -0.217   3.087
  249    HA   THR  29           HA       THR  29   1.434  -1.254   4.441
  250    HB   THR  29           HB       THR  29   1.718  -1.320   1.480
  251    HG1  THR  29           HG1      THR  29   2.437   0.715   1.787
  252   HG21  THR  29          HG21      THR  29  -0.623  -0.621   1.569
  253   HG22  THR  29          HG22      THR  29  -0.528  -0.566   3.329
  254   HG23  THR  29          HG23      THR  29  -0.351  -2.104   2.484
  255    H    ASP  30           H        ASP  30   3.934  -2.625   2.324
  256    HA   ASP  30           HA       ASP  30   2.849  -5.158   1.915
  257    HB2  ASP  30           HB2      ASP  30   5.704  -4.244   2.228
  258    HB3  ASP  30           HB3      ASP  30   5.313  -5.939   1.970
  259    H    ASN  31           H        ASN  31   4.750  -3.921   4.617
  260    HA   ASN  31           HA       ASN  31   4.483  -6.343   6.133
  261    HB2  ASN  31           HB2      ASN  31   5.508  -3.589   6.801
  262    HB3  ASN  31           HB3      ASN  31   5.354  -4.846   8.025
  263   HD21  ASN  31          HD21      ASN  31   7.042  -3.812   5.172
  264   HD22  ASN  31          HD22      ASN  31   8.349  -4.941   5.301
  265    H    TYR  32           H        TYR  32   2.606  -3.476   5.683
  266    HA   TYR  32           HA       TYR  32   1.140  -3.593   8.122
  267    HB2  TYR  32           HB2      TYR  32   1.198  -1.522   6.877
  268    HB3  TYR  32           HB3      TYR  32   0.497  -2.301   5.461
  269    HD1  TYR  32           HD1      TYR  32  -0.275  -1.685   9.062
  270    HD2  TYR  32           HD2      TYR  32  -1.775  -2.085   5.104
  271    HE1  TYR  32           HE1      TYR  32  -2.523  -1.114   9.864
  272    HE2  TYR  32           HE2      TYR  32  -4.033  -1.512   5.895
  273    HH   TYR  32           HH       TYR  32  -5.305  -1.600   8.049
  274    H    ALA  33           H        ALA  33   0.473  -4.710   4.822
  275    HA   ALA  33           HA       ALA  33  -2.046  -5.831   5.439
  276    HB1  ALA  33           HB1      ALA  33  -1.868  -6.959   3.286
  277    HB2  ALA  33           HB2      ALA  33  -0.157  -6.536   3.197
  278    HB3  ALA  33           HB3      ALA  33  -1.383  -5.268   3.159
  279    H    ARG  34           H        ARG  34   1.240  -7.065   5.602
  280    HA   ARG  34           HA       ARG  34   0.654  -9.775   6.093
  281    HB2  ARG  34           HB2      ARG  34   2.951  -8.020   6.950
  282    HB3  ARG  34           HB3      ARG  34   2.878  -9.733   7.345
  283    HG2  ARG  34           HG2      ARG  34   2.869 -10.315   5.020
  284    HG3  ARG  34           HG3      ARG  34   2.791  -8.615   4.561
  285    HD2  ARG  34           HD2      ARG  34   5.062  -9.512   4.339
  286    HD3  ARG  34           HD3      ARG  34   4.979  -8.225   5.537
  287    HE   ARG  34           HE       ARG  34   4.666 -10.783   6.742
  288   HH11  ARG  34          HH11      ARG  34   7.082  -8.611   5.433
  289   HH12  ARG  34          HH12      ARG  34   8.366  -9.253   6.406
  290   HH21  ARG  34          HH21      ARG  34   6.342 -11.605   8.039
  291   HH22  ARG  34          HH22      ARG  34   7.951 -10.957   7.879
  292    H    GLU  35           H        GLU  35   0.609  -6.950   8.130
  293    HA   GLU  35           HA       GLU  35   0.549  -8.342  10.591
  294    HB2  GLU  35           HB2      GLU  35   1.222  -5.924  10.227
  295    HB3  GLU  35           HB3      GLU  35  -0.483  -5.549  10.050
  296    HG2  GLU  35           HG2      GLU  35   0.437  -6.945  12.511
  297    HG3  GLU  35           HG3      GLU  35   0.766  -5.224  12.331
  298    H    ILE  36           H        ILE  36  -1.929  -6.957   8.482
  299    HA   ILE  36           HA       ILE  36  -4.071  -7.807  10.228
  300    HB   ILE  36           HB       ILE  36  -5.586  -6.889   8.533
  301   HG12  ILE  36          HG12      ILE  36  -3.066  -6.260   6.976
  302   HG13  ILE  36          HG13      ILE  36  -4.258  -7.478   6.532
  303   HG21  ILE  36          HG21      ILE  36  -4.880  -4.549   8.714
  304   HG22  ILE  36          HG22      ILE  36  -3.276  -5.079   9.219
  305   HG23  ILE  36          HG23      ILE  36  -4.677  -5.421  10.233
  306   HD11  ILE  36          HD11      ILE  36  -4.721  -4.508   6.685
  307   HD12  ILE  36          HD12      ILE  36  -5.943  -5.716   6.279
  308   HD13  ILE  36          HD13      ILE  36  -4.556  -5.473   5.217
  309    H    GLY  37           H        GLY  37  -2.203  -9.332   7.906
  310    HA2  GLY  37           HA2      GLY  37  -2.327 -11.610   7.387
  311    HA3  GLY  37           HA3      GLY  37  -3.968 -11.636   8.010
  312    H    GLU  38           H        GLU  38  -2.676  -9.472   5.545
  313    HA   GLU  38           HA       GLU  38  -4.509 -10.702   3.595
  314    HB2  GLU  38           HB2      GLU  38  -5.226  -8.467   4.520
  315    HB3  GLU  38           HB3      GLU  38  -3.776  -7.777   3.804
  316    HG2  GLU  38           HG2      GLU  38  -5.617  -7.347   2.358
  317    HG3  GLU  38           HG3      GLU  38  -4.565  -8.535   1.590
  318    HA   PRO  39           HA       PRO  39  -0.563 -10.922   1.422
  319    HB2  PRO  39           HB2      PRO  39  -1.299 -12.716  -0.433
  320    HB3  PRO  39           HB3      PRO  39  -0.996 -13.176   1.246
  321    HG2  PRO  39           HG2      PRO  39  -3.585 -12.787  -0.174
  322    HG3  PRO  39           HG3      PRO  39  -3.153 -13.972   1.068
  323    HD2  PRO  39           HD2      PRO  39  -4.569 -11.621   1.511
  324    HD3  PRO  39           HD3      PRO  39  -3.731 -12.566   2.757
  325    H    VAL  40           H        VAL  40  -3.577  -9.771   0.283
  326    HA   VAL  40           HA       VAL  40  -2.317  -8.786  -2.197
  327    HB   VAL  40           HB       VAL  40  -5.264  -9.307  -1.735
  328   HG11  VAL  40          HG11      VAL  40  -4.882  -7.459  -3.268
  329   HG12  VAL  40          HG12      VAL  40  -5.484  -8.869  -4.142
  330   HG13  VAL  40          HG13      VAL  40  -3.771  -8.451  -4.214
  331   HG21  VAL  40          HG21      VAL  40  -3.240 -10.834  -3.369
  332   HG22  VAL  40          HG22      VAL  40  -4.978 -11.127  -3.373
  333   HG23  VAL  40          HG23      VAL  40  -4.041 -11.395  -1.902
  334    H    VAL  41           H        VAL  41  -2.000  -6.670  -2.255
  335    HA   VAL  41           HA       VAL  41  -3.319  -4.994  -0.264
  336    HB   VAL  41           HB       VAL  41  -1.085  -4.262  -2.166
  337   HG11  VAL  41          HG11      VAL  41  -2.165  -2.855   0.275
  338   HG12  VAL  41          HG12      VAL  41  -2.311  -2.320  -1.398
  339   HG13  VAL  41          HG13      VAL  41  -0.728  -2.370  -0.624
  340   HG21  VAL  41          HG21      VAL  41  -0.356  -6.025  -0.664
  341   HG22  VAL  41          HG22      VAL  41  -0.956  -5.118   0.724
  342   HG23  VAL  41          HG23      VAL  41   0.401  -4.497  -0.216
  343    H    THR  42           H        THR  42  -5.328  -4.647  -1.029
  344    HA   THR  42           HA       THR  42  -5.760  -3.702  -3.740
  345    HB   THR  42           HB       THR  42  -8.166  -3.673  -3.040
  346    HG1  THR  42           HG1      THR  42  -8.323  -5.019  -0.910
  347   HG21  THR  42          HG21      THR  42  -8.399  -6.123  -2.861
  348   HG22  THR  42          HG22      THR  42  -6.667  -6.253  -2.547
  349   HG23  THR  42          HG23      THR  42  -7.241  -5.657  -4.107
  350    H    ALA  43           H        ALA  43  -7.527  -1.806  -3.778
  351    HA   ALA  43           HA       ALA  43  -6.333   0.551  -2.803
  352    HB1  ALA  43           HB1      ALA  43  -9.208   0.114  -3.620
  353    HB2  ALA  43           HB2      ALA  43  -7.880   0.516  -4.710
  354    HB3  ALA  43           HB3      ALA  43  -8.394   1.674  -3.482
  355    H    ASP  44           H        ASP  44  -8.823  -1.556  -1.542
  356    HA   ASP  44           HA       ASP  44  -9.734   0.032   0.591
  357    HB2  ASP  44           HB2      ASP  44 -10.892  -1.997  -0.205
  358    HB3  ASP  44           HB3      ASP  44  -9.572  -2.986   0.413
  359    H    VAL  45           H        VAL  45  -7.159  -2.402   0.420
  360    HA   VAL  45           HA       VAL  45  -6.379  -2.239   3.131
  361    HB   VAL  45           HB       VAL  45  -4.724  -3.055   0.730
  362   HG11  VAL  45          HG11      VAL  45  -3.292  -4.217   2.308
  363   HG12  VAL  45          HG12      VAL  45  -4.280  -3.645   3.654
  364   HG13  VAL  45          HG13      VAL  45  -3.352  -2.495   2.689
  365   HG21  VAL  45          HG21      VAL  45  -6.731  -4.410   0.960
  366   HG22  VAL  45          HG22      VAL  45  -6.352  -4.715   2.655
  367   HG23  VAL  45          HG23      VAL  45  -5.301  -5.351   1.388
  368    H    PHE  46           H        PHE  46  -5.313  -0.540   0.220
  369    HA   PHE  46           HA       PHE  46  -3.189   0.888   1.421
  370    HB2  PHE  46           HB2      PHE  46  -3.571   0.562  -1.056
  371    HB3  PHE  46           HB3      PHE  46  -4.836   1.781  -0.955
  372    HD1  PHE  46           HD1      PHE  46  -1.248   1.328  -0.037
  373    HD2  PHE  46           HD2      PHE  46  -4.278   3.949  -1.467
  374    HE1  PHE  46           HE1      PHE  46   0.441   3.081  -0.391
  375    HE2  PHE  46           HE2      PHE  46  -2.597   5.706  -1.819
  376    HZ   PHE  46           HZ       PHE  46  -0.234   5.274  -1.284
  377    H    ARG  47           H        ARG  47  -6.631   1.558   1.060
  378    HA   ARG  47           HA       ARG  47  -6.662   4.172   2.097
  379    HB2  ARG  47           HB2      ARG  47  -8.647   1.987   1.781
  380    HB3  ARG  47           HB3      ARG  47  -9.043   3.257   2.932
  381    HG2  ARG  47           HG2      ARG  47  -8.071   4.321   0.421
  382    HG3  ARG  47           HG3      ARG  47  -9.496   3.300   0.216
  383    HD2  ARG  47           HD2      ARG  47 -10.077   5.664   0.587
  384    HD3  ARG  47           HD3      ARG  47 -10.714   4.604   1.841
  385    HE   ARG  47           HE       ARG  47  -8.700   5.377   3.175
  386   HH11  ARG  47          HH11      ARG  47 -10.264   7.334   0.745
  387   HH12  ARG  47          HH12      ARG  47  -9.822   8.847   1.479
  388   HH21  ARG  47          HH21      ARG  47  -8.130   7.352   4.189
  389   HH22  ARG  47          HH22      ARG  47  -8.594   8.851   3.437
  390    H    LYS  48           H        LYS  48  -7.035   1.030   3.706
  391    HA   LYS  48           HA       LYS  48  -7.342   2.042   6.312
  392    HB2  LYS  48           HB2      LYS  48  -6.372  -0.616   5.278
  393    HB3  LYS  48           HB3      LYS  48  -6.538  -0.279   6.997
  394    HG2  LYS  48           HG2      LYS  48  -8.906   0.148   6.714
  395    HG3  LYS  48           HG3      LYS  48  -8.759  -0.107   4.974
  396    HD2  LYS  48           HD2      LYS  48  -8.212  -2.410   5.282
  397    HD3  LYS  48           HD3      LYS  48  -8.062  -2.196   7.027
  398    HE2  LYS  48           HE2      LYS  48 -10.171  -3.281   6.445
  399    HE3  LYS  48           HE3      LYS  48 -10.444  -1.705   7.185
  400    HZ1  LYS  48           HZ1      LYS  48 -11.889  -2.028   5.294
  401    HZ2  LYS  48           HZ2      LYS  48 -10.562  -2.316   4.275
  402    HZ3  LYS  48           HZ3      LYS  48 -10.789  -0.781   4.962
  403    H    ALA  49           H        ALA  49  -4.494   1.267   4.408
  404    HA   ALA  49           HA       ALA  49  -2.554   1.479   6.418
  405    HB1  ALA  49           HB1      ALA  49  -2.289   2.207   3.503
  406    HB2  ALA  49           HB2      ALA  49  -2.080   0.592   4.186
  407    HB3  ALA  49           HB3      ALA  49  -0.963   1.885   4.621
  408    H    LYS  50           H        LYS  50  -3.927   3.958   4.269
  409    HA   LYS  50           HA       LYS  50  -2.317   6.087   5.115
  410    HB2  LYS  50           HB2      LYS  50  -5.086   6.035   3.931
  411    HB3  LYS  50           HB3      LYS  50  -4.247   7.535   4.296
  412    HG2  LYS  50           HG2      LYS  50  -2.398   6.781   2.808
  413    HG3  LYS  50           HG3      LYS  50  -3.403   5.404   2.351
  414    HD2  LYS  50           HD2      LYS  50  -5.074   6.846   1.421
  415    HD3  LYS  50           HD3      LYS  50  -4.263   8.279   2.060
  416    HE2  LYS  50           HE2      LYS  50  -2.324   7.787   0.619
  417    HE3  LYS  50           HE3      LYS  50  -3.194   6.410  -0.051
  418    HZ1  LYS  50           HZ1      LYS  50  -4.861   7.904  -0.922
  419    HZ2  LYS  50           HZ2      LYS  50  -3.326   8.374  -1.471
  420    HZ3  LYS  50           HZ3      LYS  50  -4.081   9.240  -0.219
  421    H    GLU  51           H        GLU  51  -5.416   4.925   6.370
  422    HA   GLU  51           HA       GLU  51  -5.648   7.013   8.304
  423    HB2  GLU  51           HB2      GLU  51  -7.155   4.606   7.558
  424    HB3  GLU  51           HB3      GLU  51  -7.236   5.010   9.268
  425    HG2  GLU  51           HG2      GLU  51  -9.068   5.975   7.918
  426    HG3  GLU  51           HG3      GLU  51  -8.117   7.172   8.792
  427    H    HIS  52           H        HIS  52  -4.469   3.679   8.397
  428    HA   HIS  52           HA       HIS  52  -4.096   3.521  11.190
  429    HB2  HIS  52           HB2      HIS  52  -4.102   1.573   9.619
  430    HB3  HIS  52           HB3      HIS  52  -2.518   2.080   9.046
  431    HD1  HIS  52           HD1      HIS  52  -4.220   0.272  11.792
  432    HD2  HIS  52           HD2      HIS  52  -0.397   1.677  10.930
  433    HE1  HIS  52           HE1      HIS  52  -2.687  -0.897  13.402
  434    HE2  HIS  52           HE2      HIS  52  -0.372  -0.171  12.744
  435    H    LEU  53           H        LEU  53  -1.894   4.453   8.563
  436    HA   LEU  53           HA       LEU  53   0.314   4.995  10.289
  437    HB2  LEU  53           HB2      LEU  53  -0.262   5.985   7.490
  438    HB3  LEU  53           HB3      LEU  53   1.276   6.138   8.317
  439    HG   LEU  53           HG       LEU  53  -0.031   3.527   7.542
  440   HD11  LEU  53          HD11      LEU  53   2.315   4.997   6.349
  441   HD12  LEU  53          HD12      LEU  53   0.741   4.747   5.593
  442   HD13  LEU  53          HD13      LEU  53   1.796   3.369   5.913
  443   HD21  LEU  53          HD21      LEU  53   1.342   3.360   9.564
  444   HD22  LEU  53          HD22      LEU  53   2.697   4.088   8.697
  445   HD23  LEU  53          HD23      LEU  53   2.074   2.512   8.203
  446    H    GLY  54           H        GLY  54  -2.211   6.964   8.784
  447    HA2  GLY  54           HA2      GLY  54  -3.148   8.918   9.676
  448    HA3  GLY  54           HA3      GLY  54  -1.821   9.005  10.827
  449    H    GLY  55           H        GLY  55   0.377   8.980   9.336
  450    HA2  GLY  55           HA2      GLY  55   0.778  10.136   6.988
  451    HA3  GLY  55           HA3      GLY  55   0.241  11.525   7.926
  452    H    LEU  56           H        LEU  56   2.687  11.683   6.859
  453    HA   LEU  56           HA       LEU  56   4.582  11.003   8.984
  454    HB2  LEU  56           HB2      LEU  56   5.114  10.646   6.530
  455    HB3  LEU  56           HB3      LEU  56   5.126  12.387   6.352
  456    HG   LEU  56           HG       LEU  56   6.938  11.083   8.354
  457   HD11  LEU  56          HD11      LEU  56   7.315   9.861   6.296
  458   HD12  LEU  56          HD12      LEU  56   8.665  10.954   6.601
  459   HD13  LEU  56          HD13      LEU  56   7.446  11.369   5.395
  460   HD21  LEU  56          HD21      LEU  56   8.337  13.024   7.857
  461   HD22  LEU  56          HD22      LEU  56   6.724  13.524   8.362
  462   HD23  LEU  56          HD23      LEU  56   7.168  13.570   6.656
  463    H    GLU  57           H        GLU  57   3.160  13.695   7.252
  464    HA   GLU  57           HA       GLU  57   4.063  15.540   9.351
  465    HB2  GLU  57           HB2      GLU  57   2.834  16.158   6.652
  466    HB3  GLU  57           HB3      GLU  57   3.481  17.332   7.793
  467    HG2  GLU  57           HG2      GLU  57   5.703  16.440   7.515
  468    HG3  GLU  57           HG3      GLU  57   5.092  15.169   6.458
  469    H    HIS  58           H        HIS  58   2.667  16.064  10.862
  470    HA   HIS  58           HA       HIS  58   0.188  14.760  11.048
  471    HB2  HIS  58           HB2      HIS  58   1.686  15.537  12.935
  472    HB3  HIS  58           HB3      HIS  58   1.055  17.158  12.669
  473    HD1  HIS  58           HD1      HIS  58   0.328  13.969  14.325
  474    HD2  HIS  58           HD2      HIS  58  -1.757  17.409  13.265
  475    HE1  HIS  58           HE1      HIS  58  -1.787  13.929  15.691
  476    HE2  HIS  58           HE2      HIS  58  -3.030  16.025  15.047
  477    H    HIS  59           H        HIS  59  -1.458  15.201   9.727
  478    HA   HIS  59           HA       HIS  59  -2.411  17.970   9.592
  479    HB2  HIS  59           HB2      HIS  59  -1.778  16.213   7.233
  480    HB3  HIS  59           HB3      HIS  59  -2.970  17.504   7.118
  481    HD1  HIS  59           HD1      HIS  59   0.314  16.992   6.172
  482    HD2  HIS  59           HD2      HIS  59  -1.545  20.005   8.352
  483    HE1  HIS  59           HE1      HIS  59   1.847  18.979   6.031
  484    HE2  HIS  59           HE2      HIS  59   0.774  20.737   7.486
  485    H    HIS  60           H        HIS  60  -4.296  17.829  10.565
  486    HA   HIS  60           HA       HIS  60  -6.343  16.172   9.298
  487    HB2  HIS  60           HB2      HIS  60  -5.582  16.086  12.179
  488    HB3  HIS  60           HB3      HIS  60  -7.302  16.084  11.809
  489    HD1  HIS  60           HD1      HIS  60  -8.301  13.873  11.310
  490    HD2  HIS  60           HD2      HIS  60  -4.167  13.853  10.852
  491    HE1  HIS  60           HE1      HIS  60  -7.683  11.485  10.853
  492    HE2  HIS  60           HE2      HIS  60  -5.205  11.521  10.424
  493    H    HIS  61           H        HIS  61  -8.369  17.178   9.226
  494    HA   HIS  61           HA       HIS  61  -8.177  20.060   9.822
  495    HB2  HIS  61           HB2      HIS  61  -9.687  18.659   7.609
  496    HB3  HIS  61           HB3      HIS  61  -9.724  20.394   7.914
  497    HD1  HIS  61           HD1      HIS  61  -8.106  18.032   5.820
  498    HD2  HIS  61           HD2      HIS  61  -6.880  21.445   7.857
  499    HE1  HIS  61           HE1      HIS  61  -5.958  18.749   4.720
  500    HE2  HIS  61           HE2      HIS  61  -5.152  20.712   6.085
  501    H    HIS  62           H        HIS  62 -10.544  17.428   9.524
  502    HA   HIS  62           HA       HIS  62 -12.006  18.399  11.807
  503    HB2  HIS  62           HB2      HIS  62 -12.744  19.814   9.769
  504    HB3  HIS  62           HB3      HIS  62 -13.519  18.343   9.198
  505    HD1  HIS  62           HD1      HIS  62 -14.048  21.237  11.326
  506    HD2  HIS  62           HD2      HIS  62 -15.607  17.393  11.029
  507    HE1  HIS  62           HE1      HIS  62 -16.212  21.274  12.619
  508    HE2  HIS  62           HE2      HIS  62 -17.219  18.992  12.261
  509    H    HIS  63           H        HIS  63 -13.814  16.873   9.347
  510    HA   HIS  63           HA       HIS  63 -13.000  14.287   9.277
  511    HB2  HIS  63           HB2      HIS  63 -14.744  13.144  10.763
  512    HB3  HIS  63           HB3      HIS  63 -13.332  13.805  11.564
  513    HD1  HIS  63           HD1      HIS  63 -13.748  15.339  13.485
  514    HD2  HIS  63           HD2      HIS  63 -17.153  14.748  11.165
  515    HE1  HIS  63           HE1      HIS  63 -15.631  16.414  14.752
  516    HE2  HIS  63           HE2      HIS  63 -17.631  16.223  13.237
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1   6.605 -14.476   4.145
    2    H2   MET   1           H2       MET   1   7.336 -15.980   3.874
    3    H3   MET   1           H3       MET   1   6.661 -15.123   2.578
    4    HA   MET   1           HA       MET   1   9.021 -14.334   4.190
    5    HB2  MET   1           HB2      MET   1   9.411 -16.156   2.554
    6    HB3  MET   1           HB3      MET   1   8.796 -15.119   1.274
    7    HG2  MET   1           HG2      MET   1  10.626 -13.569   1.612
    8    HG3  MET   1           HG3      MET   1  11.228 -14.547   2.951
    9    HE1  MET   1           HE1      MET   1  13.641 -14.748   1.906
   10    HE2  MET   1           HE2      MET   1  13.111 -13.682   0.607
   11    HE3  MET   1           HE3      MET   1  13.943 -15.191   0.226
   12    H    GLY   2           H        GLY   2   7.642 -13.557   0.989
   13    HA2  GLY   2           HA2      GLY   2   7.104 -10.831   1.800
   14    HA3  GLY   2           HA3      GLY   2   8.464 -11.001   0.698
   15    H    GLU   3           H        GLU   3   7.848 -10.409  -1.253
   16    HA   GLU   3           HA       GLU   3   6.786 -10.358  -3.242
   17    HB2  GLU   3           HB2      GLU   3   5.772 -12.956  -2.162
   18    HB3  GLU   3           HB3      GLU   3   5.121 -12.323  -3.667
   19    HG2  GLU   3           HG2      GLU   3   8.024 -12.875  -3.113
   20    HG3  GLU   3           HG3      GLU   3   6.936 -13.905  -4.045
   21    H    LEU   4           H        LEU   4   4.080 -11.753  -1.442
   22    HA   LEU   4           HA       LEU   4   1.904 -11.140  -1.282
   23    HB2  LEU   4           HB2      LEU   4   3.041  -8.338  -1.325
   24    HB3  LEU   4           HB3      LEU   4   1.409  -8.766  -0.848
   25    HG   LEU   4           HG       LEU   4   3.932  -9.601   0.589
   26   HD11  LEU   4          HD11      LEU   4   3.093  -8.102   2.360
   27   HD12  LEU   4          HD12      LEU   4   1.816  -7.566   1.268
   28   HD13  LEU   4          HD13      LEU   4   3.506  -7.247   0.874
   29   HD21  LEU   4          HD21      LEU   4   2.138 -11.266   0.766
   30   HD22  LEU   4          HD22      LEU   4   1.039 -10.012   1.341
   31   HD23  LEU   4          HD23      LEU   4   2.447 -10.462   2.306
   32    H    SER   5           H        SER   5   0.400  -9.117  -2.378
   33    HA   SER   5           HA       SER   5   1.098  -8.992  -5.213
   34    HB2  SER   5           HB2      SER   5  -0.426 -10.961  -4.860
   35    HB3  SER   5           HB3      SER   5  -1.652  -9.843  -4.262
   36    HG   SER   5           HG       SER   5  -0.433  -9.739  -6.835
   37    H    TRP   6           H        TRP   6   0.887  -6.986  -5.918
   38    HA   TRP   6           HA       TRP   6  -0.769  -5.130  -4.367
   39    HB2  TRP   6           HB2      TRP   6   1.721  -4.817  -5.978
   40    HB3  TRP   6           HB3      TRP   6   0.615  -3.448  -5.888
   41    HD1  TRP   6           HD1      TRP   6   2.619  -5.750  -3.488
   42    HE1  TRP   6           HE1      TRP   6   3.183  -4.384  -1.366
   43    HE3  TRP   6           HE3      TRP   6   0.091  -1.466  -4.620
   44    HZ2  TRP   6           HZ2      TRP   6   2.589  -1.815  -0.326
   45    HZ3  TRP   6           HZ3      TRP   6   0.135   0.393  -3.016
   46    HH2  TRP   6           HH2      TRP   6   1.359   0.220  -0.918
   47    H    THR   7           H        THR   7  -2.521  -4.226  -5.231
   48    HA   THR   7           HA       THR   7  -3.335  -5.053  -7.879
   49    HB   THR   7           HB       THR   7  -5.448  -3.824  -7.320
   50    HG1  THR   7           HG1      THR   7  -4.310  -3.559  -4.717
   51   HG21  THR   7          HG21      THR   7  -5.231  -6.218  -6.849
   52   HG22  THR   7          HG22      THR   7  -6.209  -5.418  -5.618
   53   HG23  THR   7          HG23      THR   7  -4.536  -5.849  -5.270
   54    H    ALA   8           H        ALA   8  -4.082  -3.561  -9.501
   55    HA   ALA   8           HA       ALA   8  -2.379  -1.378  -9.994
   56    HB1  ALA   8           HB1      ALA   8  -5.086  -1.978 -11.179
   57    HB2  ALA   8           HB2      ALA   8  -3.535  -2.560 -11.780
   58    HB3  ALA   8           HB3      ALA   8  -3.908  -0.837 -11.830
   59    H    GLU   9           H        GLU   9  -5.569  -1.627  -8.534
   60    HA   GLU   9           HA       GLU   9  -6.232   1.069  -8.354
   61    HB2  GLU   9           HB2      GLU   9  -6.830  -1.213  -6.481
   62    HB3  GLU   9           HB3      GLU   9  -7.553   0.383  -6.330
   63    HG2  GLU   9           HG2      GLU   9  -7.818  -1.481  -8.677
   64    HG3  GLU   9           HG3      GLU   9  -9.053  -1.131  -7.467
   65    H    ALA  10           H        ALA  10  -4.316  -0.910  -6.114
   66    HA   ALA  10           HA       ALA  10  -3.836   1.184  -4.260
   67    HB1  ALA  10           HB1      ALA  10  -3.600  -1.178  -3.668
   68    HB2  ALA  10           HB2      ALA  10  -2.110  -0.285  -3.351
   69    HB3  ALA  10           HB3      ALA  10  -2.234  -1.320  -4.774
   70    H    GLU  11           H        GLU  11  -2.073  -0.064  -7.051
   71    HA   GLU  11           HA       GLU  11   0.243   1.498  -6.804
   72    HB2  GLU  11           HB2      GLU  11  -1.100   0.127  -9.110
   73    HB3  GLU  11           HB3      GLU  11   0.315   1.136  -9.378
   74    HG2  GLU  11           HG2      GLU  11   0.210  -1.206  -7.497
   75    HG3  GLU  11           HG3      GLU  11   0.853  -1.252  -9.140
   76    H    LYS  12           H        LYS  12  -2.901   2.248  -8.180
   77    HA   LYS  12           HA       LYS  12  -2.149   4.597  -9.556
   78    HB2  LYS  12           HB2      LYS  12  -4.806   3.771  -8.379
   79    HB3  LYS  12           HB3      LYS  12  -4.583   5.179  -9.409
   80    HG2  LYS  12           HG2      LYS  12  -3.917   3.800 -11.249
   81    HG3  LYS  12           HG3      LYS  12  -3.932   2.359 -10.232
   82    HD2  LYS  12           HD2      LYS  12  -6.363   2.698  -9.872
   83    HD3  LYS  12           HD3      LYS  12  -6.308   4.053 -11.002
   84    HE2  LYS  12           HE2      LYS  12  -5.553   2.563 -12.774
   85    HE3  LYS  12           HE3      LYS  12  -5.554   1.206 -11.647
   86    HZ1  LYS  12           HZ1      LYS  12  -7.537   1.238 -13.026
   87    HZ2  LYS  12           HZ2      LYS  12  -7.947   2.776 -12.444
   88    HZ3  LYS  12           HZ3      LYS  12  -7.933   1.446 -11.391
   89    H    MET  13           H        MET  13  -3.234   4.028  -6.241
   90    HA   MET  13           HA       MET  13  -3.185   6.838  -5.606
   91    HB2  MET  13           HB2      MET  13  -3.568   4.373  -3.917
   92    HB3  MET  13           HB3      MET  13  -3.502   5.991  -3.233
   93    HG2  MET  13           HG2      MET  13  -5.421   6.627  -4.647
   94    HG3  MET  13           HG3      MET  13  -5.512   4.964  -5.223
   95    HE1  MET  13           HE1      MET  13  -4.850   3.259  -2.734
   96    HE2  MET  13           HE2      MET  13  -6.273   2.902  -3.716
   97    HE3  MET  13           HE3      MET  13  -6.416   3.015  -1.962
   98    H    LEU  14           H        LEU  14  -1.043   4.084  -5.230
   99    HA   LEU  14           HA       LEU  14   0.818   5.444  -3.539
  100    HB2  LEU  14           HB2      LEU  14   0.650   2.975  -3.664
  101    HB3  LEU  14           HB3      LEU  14   1.260   3.031  -5.306
  102    HG   LEU  14           HG       LEU  14   3.394   3.940  -4.491
  103   HD11  LEU  14          HD11      LEU  14   2.559   5.110  -2.517
  104   HD12  LEU  14          HD12      LEU  14   3.873   4.009  -2.100
  105   HD13  LEU  14          HD13      LEU  14   2.203   3.564  -1.746
  106   HD21  LEU  14          HD21      LEU  14   4.194   1.916  -3.382
  107   HD22  LEU  14          HD22      LEU  14   3.127   1.525  -4.730
  108   HD23  LEU  14          HD23      LEU  14   2.531   1.420  -3.074
  109    H    GLY  15           H        GLY  15   0.336   5.160  -6.980
  110    HA2  GLY  15           HA2      GLY  15   2.862   6.208  -7.783
  111    HA3  GLY  15           HA3      GLY  15   1.411   6.120  -8.772
  112    H    LYS  16           H        LYS  16   0.206   7.651  -6.303
  113    HA   LYS  16           HA       LYS  16   0.516  10.270  -7.434
  114    HB2  LYS  16           HB2      LYS  16  -1.567   9.128  -6.323
  115    HB3  LYS  16           HB3      LYS  16  -0.834   9.674  -4.820
  116    HG2  LYS  16           HG2      LYS  16  -0.832  11.971  -5.717
  117    HG3  LYS  16           HG3      LYS  16  -1.702  11.384  -7.132
  118    HD2  LYS  16           HD2      LYS  16  -2.661  11.239  -4.273
  119    HD3  LYS  16           HD3      LYS  16  -3.236  12.370  -5.498
  120    HE2  LYS  16           HE2      LYS  16  -3.467   9.364  -5.639
  121    HE3  LYS  16           HE3      LYS  16  -4.762  10.461  -5.167
  122    HZ1  LYS  16           HZ1      LYS  16  -5.022   9.854  -7.456
  123    HZ2  LYS  16           HZ2      LYS  16  -3.433  10.325  -7.824
  124    HZ3  LYS  16           HZ3      LYS  16  -4.581  11.488  -7.380
  125    H    VAL  17           H        VAL  17   2.235   8.402  -5.311
  126    HA   VAL  17           HA       VAL  17   3.244  10.645  -3.713
  127    HB   VAL  17           HB       VAL  17   3.585   7.658  -3.380
  128   HG11  VAL  17          HG11      VAL  17   4.472   9.902  -1.571
  129   HG12  VAL  17          HG12      VAL  17   5.524   8.849  -2.518
  130   HG13  VAL  17          HG13      VAL  17   4.565   8.180  -1.198
  131   HG21  VAL  17          HG21      VAL  17   2.128   7.905  -1.438
  132   HG22  VAL  17          HG22      VAL  17   1.314   8.415  -2.919
  133   HG23  VAL  17          HG23      VAL  17   1.938   9.623  -1.794
  134    HA   PRO  18           HA       PRO  18   6.866  10.877  -6.347
  135    HB2  PRO  18           HB2      PRO  18   8.161  11.730  -3.804
  136    HB3  PRO  18           HB3      PRO  18   8.160  12.522  -5.384
  137    HG2  PRO  18           HG2      PRO  18   6.671  13.453  -3.381
  138    HG3  PRO  18           HG3      PRO  18   6.076  13.471  -5.051
  139    HD2  PRO  18           HD2      PRO  18   5.342  11.658  -2.797
  140    HD3  PRO  18           HD3      PRO  18   4.334  12.292  -4.113
  141    H    PHE  19           H        PHE  19   8.529   9.581  -6.812
  142    HA   PHE  19           HA       PHE  19   8.426   7.004  -5.778
  143    HB2  PHE  19           HB2      PHE  19   9.234   7.849  -8.071
  144    HB3  PHE  19           HB3      PHE  19  10.800   8.051  -7.290
  145    HD1  PHE  19           HD1      PHE  19   8.114   5.513  -7.635
  146    HD2  PHE  19           HD2      PHE  19  12.286   6.294  -7.412
  147    HE1  PHE  19           HE1      PHE  19   8.577   3.119  -8.025
  148    HE2  PHE  19           HE2      PHE  19  12.762   3.906  -7.794
  149    HZ   PHE  19           HZ       PHE  19  10.907   2.316  -8.101
  150    H    PHE  20           H        PHE  20  10.447   9.671  -4.851
  151    HA   PHE  20           HA       PHE  20  12.619   8.372  -3.707
  152    HB2  PHE  20           HB2      PHE  20  11.325  10.875  -2.615
  153    HB3  PHE  20           HB3      PHE  20  13.013  10.396  -2.468
  154    HD1  PHE  20           HD2      PHE  20  14.367  10.214  -4.646
  155    HD2  PHE  20           HD1      PHE  20  10.633  12.231  -4.347
  156    HE1  PHE  20           HE2      PHE  20  14.889  11.474  -6.690
  157    HE2  PHE  20           HE1      PHE  20  11.151  13.498  -6.394
  158    HZ   PHE  20           HZ       PHE  20  13.282  13.122  -7.565
  159    H    VAL  21           H        VAL  21   9.484   9.197  -2.282
  160    HA   VAL  21           HA       VAL  21  10.205   7.622   0.099
  161    HB   VAL  21           HB       VAL  21   8.382   8.796   1.260
  162   HG11  VAL  21          HG11      VAL  21   9.435  11.018   1.356
  163   HG12  VAL  21          HG12      VAL  21  10.359  10.626  -0.096
  164   HG13  VAL  21          HG13      VAL  21  10.619   9.712   1.391
  165   HG21  VAL  21          HG21      VAL  21   7.298  10.737   0.210
  166   HG22  VAL  21          HG22      VAL  21   6.913   9.233  -0.624
  167   HG23  VAL  21          HG23      VAL  21   8.095  10.343  -1.314
  168    H    ARG  22           H        ARG  22   8.490   7.466  -2.736
  169    HA   ARG  22           HA       ARG  22   6.051   6.294  -2.057
  170    HB2  ARG  22           HB2      ARG  22   6.536   7.109  -4.301
  171    HB3  ARG  22           HB3      ARG  22   7.769   5.874  -4.508
  172    HG2  ARG  22           HG2      ARG  22   6.055   4.141  -4.401
  173    HG3  ARG  22           HG3      ARG  22   4.818   5.378  -4.170
  174    HD2  ARG  22           HD2      ARG  22   5.307   6.314  -6.351
  175    HD3  ARG  22           HD3      ARG  22   6.622   5.157  -6.579
  176    HE   ARG  22           HE       ARG  22   4.181   3.825  -6.045
  177   HH11  ARG  22          HH11      ARG  22   5.825   5.571  -8.608
  178   HH12  ARG  22          HH12      ARG  22   5.060   4.652  -9.879
  179   HH21  ARG  22          HH21      ARG  22   3.165   2.648  -7.718
  180   HH22  ARG  22          HH22      ARG  22   3.537   3.016  -9.374
  181    H    LYS  23           H        LYS  23   9.208   4.795  -2.656
  182    HA   LYS  23           HA       LYS  23   8.248   2.136  -2.440
  183    HB2  LYS  23           HB2      LYS  23  10.658   1.525  -2.230
  184    HB3  LYS  23           HB3      LYS  23  10.284   2.517  -3.628
  185    HG2  LYS  23           HG2      LYS  23  12.252   3.435  -2.859
  186    HG3  LYS  23           HG3      LYS  23  11.035   4.494  -2.150
  187    HD2  LYS  23           HD2      LYS  23  12.769   3.938  -0.524
  188    HD3  LYS  23           HD3      LYS  23  11.207   3.278  -0.033
  189    HE2  LYS  23           HE2      LYS  23  12.931   1.630   0.347
  190    HE3  LYS  23           HE3      LYS  23  11.874   1.091  -0.954
  191    HZ1  LYS  23           HZ1      LYS  23  14.552   2.334  -1.290
  192    HZ2  LYS  23           HZ2      LYS  23  13.530   1.859  -2.556
  193    HZ3  LYS  23           HZ3      LYS  23  14.176   0.694  -1.510
  194    H    LYS  24           H        LYS  24   9.152   4.512  -0.105
  195    HA   LYS  24           HA       LYS  24   9.579   2.674   2.062
  196    HB2  LYS  24           HB2      LYS  24  10.524   5.024   1.914
  197    HB3  LYS  24           HB3      LYS  24   8.902   5.613   2.253
  198    HG2  LYS  24           HG2      LYS  24   8.914   4.558   4.412
  199    HG3  LYS  24           HG3      LYS  24  10.467   3.793   4.071
  200    HD2  LYS  24           HD2      LYS  24   9.959   6.760   4.287
  201    HD3  LYS  24           HD3      LYS  24  10.755   5.753   5.499
  202    HE2  LYS  24           HE2      LYS  24  12.530   5.233   3.900
  203    HE3  LYS  24           HE3      LYS  24  11.725   6.217   2.679
  204    HZ1  LYS  24           HZ1      LYS  24  13.475   7.477   3.656
  205    HZ2  LYS  24           HZ2      LYS  24  12.923   7.164   5.223
  206    HZ3  LYS  24           HZ3      LYS  24  12.006   8.144   4.185
  207    H    VAL  25           H        VAL  25   6.933   4.656   0.848
  208    HA   VAL  25           HA       VAL  25   5.033   4.001   2.829
  209    HB   VAL  25           HB       VAL  25   4.511   4.650  -0.086
  210   HG11  VAL  25          HG11      VAL  25   2.728   4.853   2.340
  211   HG12  VAL  25          HG12      VAL  25   2.570   3.696   1.018
  212   HG13  VAL  25          HG13      VAL  25   2.319   5.416   0.719
  213   HG21  VAL  25          HG21      VAL  25   4.755   6.479   2.304
  214   HG22  VAL  25          HG22      VAL  25   4.192   6.970   0.706
  215   HG23  VAL  25          HG23      VAL  25   5.847   6.397   0.921
  216    H    ARG  26           H        ARG  26   5.912   2.501  -0.259
  217    HA   ARG  26           HA       ARG  26   3.990   0.484  -0.341
  218    HB2  ARG  26           HB2      ARG  26   5.482   0.930  -2.228
  219    HB3  ARG  26           HB3      ARG  26   6.861   0.372  -1.290
  220    HG2  ARG  26           HG2      ARG  26   5.668  -1.854  -1.116
  221    HG3  ARG  26           HG3      ARG  26   4.562  -1.242  -2.346
  222    HD2  ARG  26           HD2      ARG  26   7.551  -1.450  -2.642
  223    HD3  ARG  26           HD3      ARG  26   6.392  -2.614  -3.278
  224    HE   ARG  26           HE       ARG  26   5.607  -0.221  -4.330
  225   HH11  ARG  26          HH11      ARG  26   8.568  -2.087  -4.331
  226   HH12  ARG  26          HH12      ARG  26   9.086  -1.502  -5.887
  227   HH21  ARG  26          HH21      ARG  26   6.266   0.549  -6.367
  228   HH22  ARG  26          HH22      ARG  26   7.769   0.002  -7.054
  229    H    LYS  27           H        LYS  27   7.282   0.343   1.014
  230    HA   LYS  27           HA       LYS  27   7.152  -2.280   1.969
  231    HB2  LYS  27           HB2      LYS  27   9.241  -0.982   1.780
  232    HB3  LYS  27           HB3      LYS  27   8.720   0.043   3.110
  233    HG2  LYS  27           HG2      LYS  27   8.728  -1.909   4.599
  234    HG3  LYS  27           HG3      LYS  27   9.302  -2.908   3.265
  235    HD2  LYS  27           HD2      LYS  27  11.324  -1.552   3.106
  236    HD3  LYS  27           HD3      LYS  27  10.745  -0.524   4.420
  237    HE2  LYS  27           HE2      LYS  27  10.724  -2.498   5.907
  238    HE3  LYS  27           HE3      LYS  27  11.391  -3.465   4.592
  239    HZ1  LYS  27           HZ1      LYS  27  13.359  -2.091   4.597
  240    HZ2  LYS  27           HZ2      LYS  27  13.092  -2.713   6.151
  241    HZ3  LYS  27           HZ3      LYS  27  12.709  -1.097   5.810
  242    H    ASN  28           H        ASN  28   6.017   0.722   3.334
  243    HA   ASN  28           HA       ASN  28   5.499  -0.206   5.962
  244    HB2  ASN  28           HB2      ASN  28   5.528   2.228   4.941
  245    HB3  ASN  28           HB3      ASN  28   3.822   1.915   4.655
  246   HD21  ASN  28          HD21      ASN  28   5.093   3.868   6.382
  247   HD22  ASN  28          HD22      ASN  28   4.501   3.561   7.980
  248    H    THR  29           H        THR  29   3.443   0.101   3.064
  249    HA   THR  29           HA       THR  29   1.135  -1.057   4.213
  250    HB   THR  29           HB       THR  29   0.874  -1.649   1.582
  251    HG1  THR  29           HG1      THR  29   2.970  -0.743   1.165
  252   HG21  THR  29          HG21      THR  29  -0.702  -0.344   2.874
  253   HG22  THR  29          HG22      THR  29  -0.307   0.498   1.375
  254   HG23  THR  29          HG23      THR  29   0.412   1.022   2.898
  255    H    ASP  30           H        ASP  30   3.887  -2.454   2.468
  256    HA   ASP  30           HA       ASP  30   2.920  -5.026   2.045
  257    HB2  ASP  30           HB2      ASP  30   5.722  -4.125   2.740
  258    HB3  ASP  30           HB3      ASP  30   5.323  -5.775   2.282
  259    H    ASN  31           H        ASN  31   4.480  -3.641   4.888
  260    HA   ASN  31           HA       ASN  31   4.267  -6.065   6.402
  261    HB2  ASN  31           HB2      ASN  31   5.103  -3.256   7.062
  262    HB3  ASN  31           HB3      ASN  31   4.866  -4.450   8.336
  263   HD21  ASN  31          HD21      ASN  31   6.802  -3.502   5.615
  264   HD22  ASN  31          HD22      ASN  31   8.104  -4.604   5.912
  265    H    TYR  32           H        TYR  32   2.257  -3.267   5.871
  266    HA   TYR  32           HA       TYR  32   0.632  -3.594   8.193
  267    HB2  TYR  32           HB2      TYR  32   0.683  -1.475   6.947
  268    HB3  TYR  32           HB3      TYR  32  -0.026  -2.270   5.547
  269    HD1  TYR  32           HD1      TYR  32  -0.675  -1.193   9.023
  270    HD2  TYR  32           HD2      TYR  32  -2.376  -2.618   5.390
  271    HE1  TYR  32           HE1      TYR  32  -2.919  -0.668   9.875
  272    HE2  TYR  32           HE2      TYR  32  -4.627  -2.096   6.237
  273    HH   TYR  32           HH       TYR  32  -5.745  -1.810   8.431
  274    H    ALA  33           H        ALA  33   0.242  -4.545   4.795
  275    HA   ALA  33           HA       ALA  33  -2.161  -5.982   5.150
  276    HB1  ALA  33           HB1      ALA  33  -1.701  -6.935   2.962
  277    HB2  ALA  33           HB2      ALA  33  -0.029  -6.379   3.052
  278    HB3  ALA  33           HB3      ALA  33  -1.344  -5.206   2.965
  279    H    ARG  34           H        ARG  34   1.230  -6.970   5.159
  280    HA   ARG  34           HA       ARG  34   0.921  -9.715   5.518
  281    HB2  ARG  34           HB2      ARG  34   3.064  -8.695   5.017
  282    HB3  ARG  34           HB3      ARG  34   3.052  -7.834   6.545
  283    HG2  ARG  34           HG2      ARG  34   3.143 -10.020   7.715
  284    HG3  ARG  34           HG3      ARG  34   3.325 -10.801   6.140
  285    HD2  ARG  34           HD2      ARG  34   5.353  -9.524   5.725
  286    HD3  ARG  34           HD3      ARG  34   5.158  -8.689   7.264
  287    HE   ARG  34           HE       ARG  34   5.338 -11.573   7.433
  288   HH11  ARG  34          HH11      ARG  34   7.036  -8.514   7.567
  289   HH12  ARG  34          HH12      ARG  34   8.422  -9.171   8.376
  290   HH21  ARG  34          HH21      ARG  34   7.168 -12.448   8.495
  291   HH22  ARG  34          HH22      ARG  34   8.502 -11.401   8.909
  292    H    GLU  35           H        GLU  35   0.852  -7.082   7.862
  293    HA   GLU  35           HA       GLU  35   0.928  -8.743  10.169
  294    HB2  GLU  35           HB2      GLU  35   1.620  -6.369  10.180
  295    HB3  GLU  35           HB3      GLU  35  -0.050  -5.892   9.904
  296    HG2  GLU  35           HG2      GLU  35  -0.698  -6.839  12.040
  297    HG3  GLU  35           HG3      GLU  35   0.954  -7.390  12.315
  298    H    ILE  36           H        ILE  36  -1.719  -7.148   8.400
  299    HA   ILE  36           HA       ILE  36  -3.689  -8.131  10.254
  300    HB   ILE  36           HB       ILE  36  -5.361  -7.230   8.655
  301   HG12  ILE  36          HG12      ILE  36  -2.919  -6.366   7.085
  302   HG13  ILE  36          HG13      ILE  36  -4.100  -7.566   6.572
  303   HG21  ILE  36          HG21      ILE  36  -4.758  -4.869   8.998
  304   HG22  ILE  36          HG22      ILE  36  -3.127  -5.370   9.446
  305   HG23  ILE  36          HG23      ILE  36  -4.502  -5.851  10.440
  306   HD11  ILE  36          HD11      ILE  36  -4.478  -5.446   5.468
  307   HD12  ILE  36          HD12      ILE  36  -4.636  -4.640   7.028
  308   HD13  ILE  36          HD13      ILE  36  -5.829  -5.841   6.530
  309    H    GLY  37           H        GLY  37  -2.126  -9.384   7.478
  310    HA2  GLY  37           HA2      GLY  37  -2.174 -11.749   7.141
  311    HA3  GLY  37           HA3      GLY  37  -3.829 -11.771   7.727
  312    H    GLU  38           H        GLU  38  -3.063  -9.272   5.514
  313    HA   GLU  38           HA       GLU  38  -4.646 -10.659   3.469
  314    HB2  GLU  38           HB2      GLU  38  -3.941  -7.723   3.646
  315    HB3  GLU  38           HB3      GLU  38  -5.072  -8.460   2.519
  316    HG2  GLU  38           HG2      GLU  38  -5.379  -8.279   5.507
  317    HG3  GLU  38           HG3      GLU  38  -6.248  -7.331   4.304
  318    HA   PRO  39           HA       PRO  39  -0.689 -11.053   1.370
  319    HB2  PRO  39           HB2      PRO  39  -1.539 -12.713  -0.579
  320    HB3  PRO  39           HB3      PRO  39  -1.242 -13.269   1.073
  321    HG2  PRO  39           HG2      PRO  39  -3.831 -12.577  -0.259
  322    HG3  PRO  39           HG3      PRO  39  -3.453 -13.939   0.813
  323    HD2  PRO  39           HD2      PRO  39  -4.728 -11.675   1.653
  324    HD3  PRO  39           HD3      PRO  39  -3.711 -12.672   2.712
  325    H    VAL  40           H        VAL  40  -3.726  -9.989   0.059
  326    HA   VAL  40           HA       VAL  40  -2.346  -8.827  -2.265
  327    HB   VAL  40           HB       VAL  40  -5.307  -9.345  -1.923
  328   HG11  VAL  40          HG11      VAL  40  -5.454  -8.827  -4.308
  329   HG12  VAL  40          HG12      VAL  40  -3.730  -8.456  -4.336
  330   HG13  VAL  40          HG13      VAL  40  -4.832  -7.456  -3.390
  331   HG21  VAL  40          HG21      VAL  40  -3.295 -10.834  -3.609
  332   HG22  VAL  40          HG22      VAL  40  -5.025 -11.163  -3.507
  333   HG23  VAL  40          HG23      VAL  40  -3.992 -11.420  -2.100
  334    H    VAL  41           H        VAL  41  -1.963  -6.728  -2.140
  335    HA   VAL  41           HA       VAL  41  -3.396  -5.081  -0.215
  336    HB   VAL  41           HB       VAL  41  -1.164  -4.287  -2.098
  337   HG11  VAL  41          HG11      VAL  41  -2.277  -2.913   0.346
  338   HG12  VAL  41          HG12      VAL  41  -2.501  -2.400  -1.326
  339   HG13  VAL  41          HG13      VAL  41  -0.893  -2.366  -0.601
  340   HG21  VAL  41          HG21      VAL  41   0.312  -4.463  -0.141
  341   HG22  VAL  41          HG22      VAL  41  -0.405  -6.018  -0.564
  342   HG23  VAL  41          HG23      VAL  41  -1.032  -5.102   0.805
  343    H    THR  42           H        THR  42  -5.397  -4.672  -0.965
  344    HA   THR  42           HA       THR  42  -5.779  -3.730  -3.686
  345    HB   THR  42           HB       THR  42  -8.200  -3.655  -3.008
  346    HG1  THR  42           HG1      THR  42  -8.664  -4.784  -0.996
  347   HG21  THR  42          HG21      THR  42  -7.232  -5.623  -4.124
  348   HG22  THR  42          HG22      THR  42  -8.497  -6.077  -2.982
  349   HG23  THR  42          HG23      THR  42  -6.802  -6.292  -2.548
  350    H    ALA  43           H        ALA  43  -7.471  -1.809  -3.773
  351    HA   ALA  43           HA       ALA  43  -6.224   0.497  -2.721
  352    HB1  ALA  43           HB1      ALA  43  -8.142   1.721  -3.579
  353    HB2  ALA  43           HB2      ALA  43  -9.036   0.215  -3.783
  354    HB3  ALA  43           HB3      ALA  43  -7.600   0.529  -4.760
  355    H    ASP  44           H        ASP  44  -8.847  -1.529  -1.629
  356    HA   ASP  44           HA       ASP  44  -9.888   0.060   0.433
  357    HB2  ASP  44           HB2      ASP  44  -9.622  -2.957   0.452
  358    HB3  ASP  44           HB3      ASP  44 -10.786  -1.995   1.353
  359    H    VAL  45           H        VAL  45  -7.417  -2.485   0.522
  360    HA   VAL  45           HA       VAL  45  -6.697  -2.177   3.220
  361    HB   VAL  45           HB       VAL  45  -4.983  -3.171   0.932
  362   HG11  VAL  45          HG11      VAL  45  -3.748  -4.390   2.682
  363   HG12  VAL  45          HG12      VAL  45  -4.713  -3.567   3.909
  364   HG13  VAL  45          HG13      VAL  45  -3.632  -2.639   2.869
  365   HG21  VAL  45          HG21      VAL  45  -5.702  -5.410   1.629
  366   HG22  VAL  45          HG22      VAL  45  -7.068  -4.420   1.113
  367   HG23  VAL  45          HG23      VAL  45  -6.772  -4.687   2.830
  368    H    PHE  46           H        PHE  46  -5.389  -0.732   0.258
  369    HA   PHE  46           HA       PHE  46  -3.216   0.585   1.444
  370    HB2  PHE  46           HB2      PHE  46  -3.565   0.226  -1.019
  371    HB3  PHE  46           HB3      PHE  46  -4.753   1.524  -0.984
  372    HD1  PHE  46           HD1      PHE  46  -1.196   0.701  -0.664
  373    HD2  PHE  46           HD2      PHE  46  -4.084   3.823  -0.832
  374    HE1  PHE  46           HE1      PHE  46   0.607   2.345  -0.987
  375    HE2  PHE  46           HE2      PHE  46  -2.289   5.471  -1.162
  376    HZ   PHE  46           HZ       PHE  46   0.060   4.737  -1.238
  377    H    ARG  47           H        ARG  47  -6.568   1.669   0.881
  378    HA   ARG  47           HA       ARG  47  -6.223   4.286   1.851
  379    HB2  ARG  47           HB2      ARG  47  -8.267   3.777   0.695
  380    HB3  ARG  47           HB3      ARG  47  -8.677   2.519   1.858
  381    HG2  ARG  47           HG2      ARG  47  -8.880   4.209   3.613
  382    HG3  ARG  47           HG3      ARG  47  -8.485   5.467   2.448
  383    HD2  ARG  47           HD2      ARG  47 -10.511   5.087   1.245
  384    HD3  ARG  47           HD3      ARG  47 -10.860   3.632   2.187
  385    HE   ARG  47           HE       ARG  47 -10.935   5.245   4.155
  386   HH11  ARG  47          HH11      ARG  47 -11.890   6.173   0.904
  387   HH12  ARG  47          HH12      ARG  47 -12.959   7.429   1.464
  388   HH21  ARG  47          HH21      ARG  47 -12.325   6.860   4.869
  389   HH22  ARG  47          HH22      ARG  47 -13.199   7.831   3.722
  390    H    LYS  48           H        LYS  48  -7.280   1.333   3.522
  391    HA   LYS  48           HA       LYS  48  -7.625   2.451   6.055
  392    HB2  LYS  48           HB2      LYS  48  -6.744  -0.350   5.334
  393    HB3  LYS  48           HB3      LYS  48  -7.313   0.150   6.921
  394    HG2  LYS  48           HG2      LYS  48  -9.475   0.787   5.881
  395    HG3  LYS  48           HG3      LYS  48  -8.891   0.109   4.360
  396    HD2  LYS  48           HD2      LYS  48 -10.293  -1.498   5.532
  397    HD3  LYS  48           HD3      LYS  48  -8.626  -2.076   5.446
  398    HE2  LYS  48           HE2      LYS  48  -8.233  -1.404   7.728
  399    HE3  LYS  48           HE3      LYS  48  -9.826  -0.657   7.821
  400    HZ1  LYS  48           HZ1      LYS  48  -9.338  -3.562   7.412
  401    HZ2  LYS  48           HZ2      LYS  48 -10.846  -2.813   7.605
  402    HZ3  LYS  48           HZ3      LYS  48  -9.744  -2.838   8.890
  403    H    ALA  49           H        ALA  49  -4.753   1.141   4.486
  404    HA   ALA  49           HA       ALA  49  -3.048   1.213   6.719
  405    HB1  ALA  49           HB1      ALA  49  -2.365   1.425   3.791
  406    HB2  ALA  49           HB2      ALA  49  -2.500  -0.062   4.731
  407    HB3  ALA  49           HB3      ALA  49  -1.219   1.095   5.090
  408    H    LYS  50           H        LYS  50  -3.374   3.573   4.038
  409    HA   LYS  50           HA       LYS  50  -1.394   5.297   5.036
  410    HB2  LYS  50           HB2      LYS  50  -2.309   6.990   3.494
  411    HB3  LYS  50           HB3      LYS  50  -2.076   5.431   2.720
  412    HG2  LYS  50           HG2      LYS  50  -4.413   4.982   2.747
  413    HG3  LYS  50           HG3      LYS  50  -4.729   6.384   3.769
  414    HD2  LYS  50           HD2      LYS  50  -4.019   7.872   1.972
  415    HD3  LYS  50           HD3      LYS  50  -3.644   6.479   0.954
  416    HE2  LYS  50           HE2      LYS  50  -5.968   5.819   0.931
  417    HE3  LYS  50           HE3      LYS  50  -6.377   7.106   2.063
  418    HZ1  LYS  50           HZ1      LYS  50  -5.939   8.742   0.443
  419    HZ2  LYS  50           HZ2      LYS  50  -6.877   7.569  -0.329
  420    HZ3  LYS  50           HZ3      LYS  50  -5.205   7.634  -0.611
  421    H    GLU  51           H        GLU  51  -4.890   5.285   5.529
  422    HA   GLU  51           HA       GLU  51  -4.830   7.748   6.992
  423    HB2  GLU  51           HB2      GLU  51  -7.009   5.713   6.521
  424    HB3  GLU  51           HB3      GLU  51  -7.246   7.196   7.442
  425    HG2  GLU  51           HG2      GLU  51  -6.571   8.512   5.487
  426    HG3  GLU  51           HG3      GLU  51  -6.362   7.026   4.569
  427    H    HIS  52           H        HIS  52  -4.724   4.342   7.798
  428    HA   HIS  52           HA       HIS  52  -5.031   4.601  10.601
  429    HB2  HIS  52           HB2      HIS  52  -5.088   2.432   9.398
  430    HB3  HIS  52           HB3      HIS  52  -3.370   2.589   9.061
  431    HD1  HIS  52           HD1      HIS  52  -5.794   1.809  11.794
  432    HD2  HIS  52           HD2      HIS  52  -1.679   1.954  11.196
  433    HE1  HIS  52           HE1      HIS  52  -4.773   0.674  13.800
  434    HE2  HIS  52           HE2      HIS  52  -2.279   0.863  13.464
  435    H    LEU  53           H        LEU  53  -2.244   4.829   8.443
  436    HA   LEU  53           HA       LEU  53  -0.319   5.283  10.493
  437    HB2  LEU  53           HB2      LEU  53  -0.242   6.071   7.576
  438    HB3  LEU  53           HB3      LEU  53   1.130   6.065   8.666
  439    HG   LEU  53           HG       LEU  53  -0.432   3.612   7.858
  440   HD11  LEU  53          HD11      LEU  53   1.531   3.054   6.514
  441   HD12  LEU  53          HD12      LEU  53   2.254   4.607   6.931
  442   HD13  LEU  53          HD13      LEU  53   0.777   4.553   5.972
  443   HD21  LEU  53          HD21      LEU  53   0.596   3.416  10.060
  444   HD22  LEU  53          HD22      LEU  53   2.149   3.914   9.389
  445   HD23  LEU  53          HD23      LEU  53   1.418   2.389   8.885
  446    H    GLY  54           H        GLY  54  -2.466   7.324   8.634
  447    HA2  GLY  54           HA2      GLY  54  -3.318   9.375   9.419
  448    HA3  GLY  54           HA3      GLY  54  -1.946   9.508  10.510
  449    H    GLY  55           H        GLY  55   0.073   8.985   8.565
  450    HA2  GLY  55           HA2      GLY  55   1.296  10.019   6.905
  451    HA3  GLY  55           HA3      GLY  55  -0.168  10.863   6.415
  452    H    LEU  56           H        LEU  56  -0.857  12.662   7.817
  453    HA   LEU  56           HA       LEU  56   1.037  13.931   9.525
  454    HB2  LEU  56           HB2      LEU  56   2.042  14.262   7.234
  455    HB3  LEU  56           HB3      LEU  56   0.636  15.225   6.827
  456    HG   LEU  56           HG       LEU  56   1.229  16.825   8.611
  457   HD11  LEU  56          HD11      LEU  56   3.381  16.683   9.721
  458   HD12  LEU  56          HD12      LEU  56   3.723  15.157   8.907
  459   HD13  LEU  56          HD13      LEU  56   2.411  15.255  10.082
  460   HD21  LEU  56          HD21      LEU  56   3.205  17.773   7.505
  461   HD22  LEU  56          HD22      LEU  56   1.998  17.232   6.341
  462   HD23  LEU  56          HD23      LEU  56   3.437  16.257   6.634
  463    H    GLU  57           H        GLU  57  -1.942  13.667   7.983
  464    HA   GLU  57           HA       GLU  57  -3.972  14.587   8.226
  465    HB2  GLU  57           HB2      GLU  57  -2.719  15.016  10.881
  466    HB3  GLU  57           HB3      GLU  57  -4.228  15.856  10.550
  467    HG2  GLU  57           HG2      GLU  57  -3.849  12.889  10.234
  468    HG3  GLU  57           HG3      GLU  57  -4.493  13.661  11.683
  469    H    HIS  58           H        HIS  58  -3.551  15.984   6.483
  470    HA   HIS  58           HA       HIS  58  -3.981  18.758   7.287
  471    HB2  HIS  58           HB2      HIS  58  -1.881  17.792   5.381
  472    HB3  HIS  58           HB3      HIS  58  -2.689  19.322   5.051
  473    HD1  HIS  58           HD1      HIS  58   0.380  18.877   5.895
  474    HD2  HIS  58           HD2      HIS  58  -2.712  20.268   8.297
  475    HE1  HIS  58           HE1      HIS  58   1.486  20.204   7.718
  476    HE2  HIS  58           HE2      HIS  58  -0.417  21.220   9.017
  477    H    HIS  59           H        HIS  59  -6.101  18.699   6.856
  478    HA   HIS  59           HA       HIS  59  -8.063  18.612   5.723
  479    HB2  HIS  59           HB2      HIS  59  -6.254  18.959   3.324
  480    HB3  HIS  59           HB3      HIS  59  -8.011  19.019   3.248
  481    HD1  HIS  59           HD1      HIS  59  -5.072  21.090   3.843
  482    HD2  HIS  59           HD2      HIS  59  -9.126  21.243   4.775
  483    HE1  HIS  59           HE1      HIS  59  -5.529  23.476   4.490
  484    HE2  HIS  59           HE2      HIS  59  -8.021  23.583   4.895
  485    H    HIS  60           H        HIS  60  -8.187  16.405   6.506
  486    HA   HIS  60           HA       HIS  60  -7.475  14.145   5.014
  487    HB2  HIS  60           HB2      HIS  60  -8.518  14.461   7.448
  488    HB3  HIS  60           HB3      HIS  60 -10.016  14.134   6.585
  489    HD1  HIS  60           HD1      HIS  60  -6.975  12.520   7.935
  490    HD2  HIS  60           HD2      HIS  60 -10.184  11.504   5.471
  491    HE1  HIS  60           HE1      HIS  60  -6.956  10.005   7.778
  492    HE2  HIS  60           HE2      HIS  60  -8.948   9.399   6.348
  493    H    HIS  61           H        HIS  61  -8.116  13.599   3.027
  494    HA   HIS  61           HA       HIS  61 -10.216  15.145   1.793
  495    HB2  HIS  61           HB2      HIS  61  -8.299  13.087   0.702
  496    HB3  HIS  61           HB3      HIS  61  -9.511  13.894  -0.281
  497    HD1  HIS  61           HD1      HIS  61  -6.189  14.057  -0.173
  498    HD2  HIS  61           HD2      HIS  61  -9.023  16.970   0.674
  499    HE1  HIS  61           HE1      HIS  61  -5.015  16.251  -0.504
  500    HE2  HIS  61           HE2      HIS  61  -6.819  17.988  -0.223
  501    H    HIS  62           H        HIS  62 -11.743  14.125   0.305
  502    HA   HIS  62           HA       HIS  62 -12.992  11.736   1.428
  503    HB2  HIS  62           HB2      HIS  62 -14.357  13.735   0.766
  504    HB3  HIS  62           HB3      HIS  62 -13.841  13.496  -0.897
  505    HD1  HIS  62           HD1      HIS  62 -16.374  12.469   1.545
  506    HD2  HIS  62           HD2      HIS  62 -14.926  11.107  -2.112
  507    HE1  HIS  62           HE1      HIS  62 -18.077  10.816   0.707
  508    HE2  HIS  62           HE2      HIS  62 -17.263  10.138  -1.580
  509    H    HIS  63           H        HIS  63 -10.892  12.779  -1.008
  510    HA   HIS  63           HA       HIS  63 -10.496  10.084  -1.954
  511    HB2  HIS  63           HB2      HIS  63 -10.519  10.921  -4.383
  512    HB3  HIS  63           HB3      HIS  63 -12.078  10.651  -3.614
  513    HD1  HIS  63           HD1      HIS  63  -9.753  13.484  -4.571
  514    HD2  HIS  63           HD2      HIS  63 -13.729  12.838  -3.552
  515    HE1  HIS  63           HE1      HIS  63 -10.927  15.666  -4.998
  516    HE2  HIS  63           HE2      HIS  63 -13.277  15.309  -4.164
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1   8.197 -14.546  -3.222
    2    H2   MET   1           H2       MET   1   9.773 -13.919  -3.289
    3    H3   MET   1           H3       MET   1   8.441 -12.871  -3.336
    4    HA   MET   1           HA       MET   1   7.818 -13.546  -1.100
    5    HB2  MET   1           HB2      MET   1  10.443 -15.044  -1.245
    6    HB3  MET   1           HB3      MET   1   9.552 -14.747   0.241
    7    HG2  MET   1           HG2      MET   1   7.660 -16.023  -0.646
    8    HG3  MET   1           HG3      MET   1   8.574 -16.337  -2.121
    9    HE1  MET   1           HE1      MET   1   8.151 -18.945  -1.835
   10    HE2  MET   1           HE2      MET   1   7.226 -18.619  -0.371
   11    HE3  MET   1           HE3      MET   1   8.506 -19.833  -0.355
   12    H    GLY   2           H        GLY   2   8.210 -11.953   0.311
   13    HA2  GLY   2           HA2      GLY   2  10.037 -10.435   1.227
   14    HA3  GLY   2           HA3      GLY   2  10.359 -10.083  -0.469
   15    H    GLU   3           H        GLU   3   7.657 -10.146  -1.330
   16    HA   GLU   3           HA       GLU   3   6.503  -7.840   0.092
   17    HB2  GLU   3           HB2      GLU   3   5.936  -8.350  -2.812
   18    HB3  GLU   3           HB3      GLU   3   5.805  -6.851  -1.910
   19    HG2  GLU   3           HG2      GLU   3   7.630  -6.459  -3.248
   20    HG3  GLU   3           HG3      GLU   3   8.389  -7.018  -1.756
   21    H    LEU   4           H        LEU   4   4.037  -7.699  -0.763
   22    HA   LEU   4           HA       LEU   4   2.905 -10.364  -0.287
   23    HB2  LEU   4           HB2      LEU   4   1.706  -7.606  -0.213
   24    HB3  LEU   4           HB3      LEU   4   0.758  -9.069  -0.045
   25    HG   LEU   4           HG       LEU   4   2.966  -8.187   1.813
   26   HD11  LEU   4          HD11      LEU   4   1.140  -7.877   3.417
   27   HD12  LEU   4          HD12      LEU   4  -0.028  -8.252   2.148
   28   HD13  LEU   4          HD13      LEU   4   0.983  -6.812   2.020
   29   HD21  LEU   4          HD21      LEU   4   2.802 -10.624   1.627
   30   HD22  LEU   4          HD22      LEU   4   1.079 -10.532   1.991
   31   HD23  LEU   4          HD23      LEU   4   2.264 -10.053   3.206
   32    H    SER   5           H        SER   5   1.036  -7.981  -1.927
   33    HA   SER   5           HA       SER   5   1.559  -8.804  -4.595
   34    HB2  SER   5           HB2      SER   5   0.284 -10.799  -3.665
   35    HB3  SER   5           HB3      SER   5  -1.095  -9.720  -3.458
   36    HG   SER   5           HG       SER   5   0.224 -10.380  -5.892
   37    H    TRP   6           H        TRP   6   1.410  -6.833  -5.433
   38    HA   TRP   6           HA       TRP   6  -0.608  -4.996  -4.385
   39    HB2  TRP   6           HB2      TRP   6   1.951  -4.610  -5.909
   40    HB3  TRP   6           HB3      TRP   6   0.769  -3.311  -5.766
   41    HD1  TRP   6           HD1      TRP   6   2.870  -5.606  -3.451
   42    HE1  TRP   6           HE1      TRP   6   3.359  -4.305  -1.275
   43    HE3  TRP   6           HE3      TRP   6   0.188  -1.376  -4.444
   44    HZ2  TRP   6           HZ2      TRP   6   2.679  -1.801  -0.150
   45    HZ3  TRP   6           HZ3      TRP   6   0.159   0.429  -2.771
   46    HH2  TRP   6           HH2      TRP   6   1.378   0.221  -0.671
   47    H    THR   7           H        THR   7  -2.370  -4.547  -5.435
   48    HA   THR   7           HA       THR   7  -2.876  -5.580  -8.063
   49    HB   THR   7           HB       THR   7  -5.082  -4.384  -7.784
   50    HG1  THR   7           HG1      THR   7  -4.205  -3.947  -5.105
   51   HG21  THR   7          HG21      THR   7  -5.913  -5.911  -6.053
   52   HG22  THR   7          HG22      THR   7  -4.254  -6.253  -5.561
   53   HG23  THR   7          HG23      THR   7  -4.814  -6.733  -7.163
   54    H    ALA   8           H        ALA   8  -3.842  -4.160  -9.774
   55    HA   ALA   8           HA       ALA   8  -2.073  -2.085 -10.499
   56    HB1  ALA   8           HB1      ALA   8  -4.840  -2.659 -11.565
   57    HB2  ALA   8           HB2      ALA   8  -3.340  -3.386 -12.141
   58    HB3  ALA   8           HB3      ALA   8  -3.616  -1.656 -12.342
   59    H    GLU   9           H        GLU   9  -5.216  -2.113  -8.951
   60    HA   GLU   9           HA       GLU   9  -5.805   0.615  -9.026
   61    HB2  GLU   9           HB2      GLU   9  -6.508  -1.411  -6.897
   62    HB3  GLU   9           HB3      GLU   9  -7.273   0.161  -7.100
   63    HG2  GLU   9           HG2      GLU   9  -7.318  -2.114  -9.070
   64    HG3  GLU   9           HG3      GLU   9  -8.649  -1.592  -8.038
   65    H    ALA  10           H        ALA  10  -3.918  -1.269  -6.712
   66    HA   ALA  10           HA       ALA  10  -3.500   0.822  -4.854
   67    HB1  ALA  10           HB1      ALA  10  -1.804  -1.621  -5.370
   68    HB2  ALA  10           HB2      ALA  10  -3.208  -1.552  -4.303
   69    HB3  ALA  10           HB3      ALA  10  -1.766  -0.610  -3.926
   70    H    GLU  11           H        GLU  11  -1.588  -0.394  -7.579
   71    HA   GLU  11           HA       GLU  11   0.618   1.324  -7.265
   72    HB2  GLU  11           HB2      GLU  11  -0.486  -0.039  -9.725
   73    HB3  GLU  11           HB3      GLU  11   1.051   0.810  -9.684
   74    HG2  GLU  11           HG2      GLU  11   0.387  -1.496  -7.881
   75    HG3  GLU  11           HG3      GLU  11   1.173  -1.676  -9.446
   76    H    LYS  12           H        LYS  12  -2.474   1.748  -8.872
   77    HA   LYS  12           HA       LYS  12  -1.870   4.056 -10.347
   78    HB2  LYS  12           HB2      LYS  12  -4.465   3.087  -9.154
   79    HB3  LYS  12           HB3      LYS  12  -4.355   4.500 -10.198
   80    HG2  LYS  12           HG2      LYS  12  -3.565   3.159 -12.024
   81    HG3  LYS  12           HG3      LYS  12  -3.470   1.735 -10.984
   82    HD2  LYS  12           HD2      LYS  12  -5.918   1.861 -10.652
   83    HD3  LYS  12           HD3      LYS  12  -5.974   3.220 -11.779
   84    HE2  LYS  12           HE2      LYS  12  -5.102   1.825 -13.552
   85    HE3  LYS  12           HE3      LYS  12  -4.941   0.466 -12.441
   86    HZ1  LYS  12           HZ1      LYS  12  -7.488   1.764 -13.251
   87    HZ2  LYS  12           HZ2      LYS  12  -7.345   0.481 -12.142
   88    HZ3  LYS  12           HZ3      LYS  12  -6.922   0.249 -13.770
   89    H    MET  13           H        MET  13  -3.069   3.690  -7.021
   90    HA   MET  13           HA       MET  13  -3.081   6.541  -6.607
   91    HB2  MET  13           HB2      MET  13  -3.393   4.262  -4.652
   92    HB3  MET  13           HB3      MET  13  -3.529   5.960  -4.220
   93    HG2  MET  13           HG2      MET  13  -5.362   6.088  -5.984
   94    HG3  MET  13           HG3      MET  13  -5.340   4.325  -5.962
   95    HE1  MET  13           HE1      MET  13  -4.566   3.940  -2.802
   96    HE2  MET  13           HE2      MET  13  -5.715   2.915  -3.662
   97    HE3  MET  13           HE3      MET  13  -6.177   3.669  -2.137
   98    H    LEU  14           H        LEU  14  -0.883   3.894  -6.058
   99    HA   LEU  14           HA       LEU  14   0.869   5.241  -4.280
  100    HB2  LEU  14           HB2      LEU  14   0.775   2.762  -4.678
  101    HB3  LEU  14           HB3      LEU  14   1.559   3.036  -6.221
  102    HG   LEU  14           HG       LEU  14   3.530   3.943  -5.056
  103   HD11  LEU  14          HD11      LEU  14   2.476   4.826  -3.069
  104   HD12  LEU  14          HD12      LEU  14   3.710   3.651  -2.613
  105   HD13  LEU  14          HD13      LEU  14   2.004   3.203  -2.562
  106   HD21  LEU  14          HD21      LEU  14   2.648   1.220  -4.105
  107   HD22  LEU  14          HD22      LEU  14   4.307   1.823  -4.100
  108   HD23  LEU  14          HD23      LEU  14   3.460   1.583  -5.629
  109    H    GLY  15           H        GLY  15   0.484   5.203  -7.754
  110    HA2  GLY  15           HA2      GLY  15   2.928   6.469  -8.436
  111    HA3  GLY  15           HA3      GLY  15   1.467   6.458  -9.412
  112    H    LYS  16           H        LYS  16   0.036   7.657  -7.008
  113    HA   LYS  16           HA       LYS  16   0.425  10.418  -7.679
  114    HB2  LYS  16           HB2      LYS  16  -1.232   9.056  -5.548
  115    HB3  LYS  16           HB3      LYS  16  -1.259  10.789  -5.846
  116    HG2  LYS  16           HG2      LYS  16  -1.968   8.713  -7.909
  117    HG3  LYS  16           HG3      LYS  16  -3.142   9.534  -6.877
  118    HD2  LYS  16           HD2      LYS  16  -1.239  10.921  -8.767
  119    HD3  LYS  16           HD3      LYS  16  -2.931  10.563  -9.124
  120    HE2  LYS  16           HE2      LYS  16  -3.654  11.976  -7.302
  121    HE3  LYS  16           HE3      LYS  16  -1.985  12.248  -6.805
  122    HZ1  LYS  16           HZ1      LYS  16  -1.591  13.351  -8.940
  123    HZ2  LYS  16           HZ2      LYS  16  -2.803  14.127  -8.042
  124    HZ3  LYS  16           HZ3      LYS  16  -3.226  13.140  -9.356
  125    H    VAL  17           H        VAL  17   1.801   8.241  -5.502
  126    HA   VAL  17           HA       VAL  17   2.709  10.265  -3.617
  127    HB   VAL  17           HB       VAL  17   3.189   7.279  -3.714
  128   HG11  VAL  17          HG11      VAL  17   4.998   8.410  -2.546
  129   HG12  VAL  17          HG12      VAL  17   3.989   7.519  -1.406
  130   HG13  VAL  17          HG13      VAL  17   3.831   9.270  -1.542
  131   HG21  VAL  17          HG21      VAL  17   0.858   7.834  -3.311
  132   HG22  VAL  17          HG22      VAL  17   1.327   8.910  -1.994
  133   HG23  VAL  17          HG23      VAL  17   1.601   7.173  -1.856
  134    HA   PRO  18           HA       PRO  18   6.328  11.161  -6.049
  135    HB2  PRO  18           HB2      PRO  18   7.476  11.814  -3.385
  136    HB3  PRO  18           HB3      PRO  18   7.405  12.796  -4.853
  137    HG2  PRO  18           HG2      PRO  18   5.781  13.299  -2.800
  138    HG3  PRO  18           HG3      PRO  18   5.208  13.441  -4.472
  139    HD2  PRO  18           HD2      PRO  18   4.698  11.287  -2.469
  140    HD3  PRO  18           HD3      PRO  18   3.615  11.964  -3.704
  141    H    PHE  19           H        PHE  19   8.167  10.136  -6.623
  142    HA   PHE  19           HA       PHE  19   8.706   7.540  -5.925
  143    HB2  PHE  19           HB2      PHE  19  10.264   9.675  -7.268
  144    HB3  PHE  19           HB3      PHE  19  11.149   8.249  -6.745
  145    HD1  PHE  19           HD2      PHE  19  10.637   6.064  -7.668
  146    HD2  PHE  19           HD1      PHE  19   8.714   9.581  -9.081
  147    HE1  PHE  19           HE2      PHE  19   9.906   4.848  -9.680
  148    HE2  PHE  19           HE1      PHE  19   7.977   8.375 -11.097
  149    HZ   PHE  19           HZ       PHE  19   8.574   6.006 -11.397
  150    H    PHE  20           H        PHE  20   9.905  10.424  -4.349
  151    HA   PHE  20           HA       PHE  20  12.121   9.364  -3.035
  152    HB2  PHE  20           HB2      PHE  20  10.283  11.494  -1.936
  153    HB3  PHE  20           HB3      PHE  20  11.978  11.251  -1.535
  154    HD1  PHE  20           HD2      PHE  20  13.702  11.630  -3.339
  155    HD2  PHE  20           HD1      PHE  20   9.641  12.836  -3.714
  156    HE1  PHE  20           HE2      PHE  20  14.340  13.200  -5.127
  157    HE2  PHE  20           HE1      PHE  20  10.266  14.408  -5.504
  158    HZ   PHE  20           HZ       PHE  20  12.619  14.591  -6.213
  159    H    VAL  21           H        VAL  21   8.713   9.221  -2.227
  160    HA   VAL  21           HA       VAL  21   9.412   7.681   0.186
  161    HB   VAL  21           HB       VAL  21   7.339   8.524   1.241
  162   HG11  VAL  21          HG11      VAL  21   9.249  10.680   0.345
  163   HG12  VAL  21          HG12      VAL  21   9.485   9.586   1.710
  164   HG13  VAL  21          HG13      VAL  21   8.174  10.764   1.743
  165   HG21  VAL  21          HG21      VAL  21   6.196  10.471   0.287
  166   HG22  VAL  21          HG22      VAL  21   6.080   9.069  -0.778
  167   HG23  VAL  21          HG23      VAL  21   7.217  10.366  -1.148
  168    H    ARG  22           H        ARG  22   8.170   7.408  -2.818
  169    HA   ARG  22           HA       ARG  22   5.757   6.018  -2.478
  170    HB2  ARG  22           HB2      ARG  22   6.472   6.908  -4.642
  171    HB3  ARG  22           HB3      ARG  22   7.803   5.761  -4.689
  172    HG2  ARG  22           HG2      ARG  22   6.232   3.912  -4.790
  173    HG3  ARG  22           HG3      ARG  22   4.878   5.041  -4.693
  174    HD2  ARG  22           HD2      ARG  22   6.936   4.913  -6.895
  175    HD3  ARG  22           HD3      ARG  22   5.273   4.333  -6.993
  176    HE   ARG  22           HE       ARG  22   5.166   7.014  -6.255
  177   HH11  ARG  22          HH11      ARG  22   6.126   5.079  -9.021
  178   HH12  ARG  22          HH12      ARG  22   5.876   6.375 -10.155
  179   HH21  ARG  22          HH21      ARG  22   4.825   8.692  -7.748
  180   HH22  ARG  22          HH22      ARG  22   5.144   8.423  -9.436
  181    H    LYS  23           H        LYS  23   9.073   4.813  -2.829
  182    HA   LYS  23           HA       LYS  23   8.410   2.074  -2.575
  183    HB2  LYS  23           HB2      LYS  23  10.531   2.908  -3.554
  184    HB3  LYS  23           HB3      LYS  23  11.019   3.479  -1.965
  185    HG2  LYS  23           HG2      LYS  23  11.009   1.185  -1.134
  186    HG3  LYS  23           HG3      LYS  23  10.526   0.613  -2.734
  187    HD2  LYS  23           HD2      LYS  23  12.598   1.553  -3.673
  188    HD3  LYS  23           HD3      LYS  23  13.079   2.071  -2.056
  189    HE2  LYS  23           HE2      LYS  23  13.088  -0.253  -1.308
  190    HE3  LYS  23           HE3      LYS  23  12.579  -0.778  -2.912
  191    HZ1  LYS  23           HZ1      LYS  23  14.933  -1.057  -2.675
  192    HZ2  LYS  23           HZ2      LYS  23  15.137   0.561  -2.220
  193    HZ3  LYS  23           HZ3      LYS  23  14.643   0.179  -3.799
  194    H    LYS  24           H        LYS  24   9.438   4.552  -0.305
  195    HA   LYS  24           HA       LYS  24   9.681   3.048   2.019
  196    HB2  LYS  24           HB2      LYS  24  10.350   5.406   1.806
  197    HB3  LYS  24           HB3      LYS  24   8.662   5.880   1.703
  198    HG2  LYS  24           HG2      LYS  24   8.315   4.998   3.984
  199    HG3  LYS  24           HG3      LYS  24  10.047   4.658   4.076
  200    HD2  LYS  24           HD2      LYS  24  10.488   7.064   3.644
  201    HD3  LYS  24           HD3      LYS  24   8.748   7.356   3.699
  202    HE2  LYS  24           HE2      LYS  24   9.754   7.915   5.826
  203    HE3  LYS  24           HE3      LYS  24   8.700   6.514   6.004
  204    HZ1  LYS  24           HZ1      LYS  24  10.883   6.348   7.162
  205    HZ2  LYS  24           HZ2      LYS  24  11.638   6.310   5.641
  206    HZ3  LYS  24           HZ3      LYS  24  10.562   5.078   6.086
  207    H    VAL  25           H        VAL  25   6.817   4.775   0.786
  208    HA   VAL  25           HA       VAL  25   5.080   3.926   2.845
  209    HB   VAL  25           HB       VAL  25   4.416   4.862   0.044
  210   HG11  VAL  25          HG11      VAL  25   2.565   3.574   1.003
  211   HG12  VAL  25          HG12      VAL  25   2.162   5.288   0.902
  212   HG13  VAL  25          HG13      VAL  25   2.614   4.580   2.451
  213   HG21  VAL  25          HG21      VAL  25   3.916   7.000   1.151
  214   HG22  VAL  25          HG22      VAL  25   5.604   6.531   1.357
  215   HG23  VAL  25          HG23      VAL  25   4.463   6.321   2.685
  216    H    ARG  26           H        ARG  26   5.718   2.629  -0.413
  217    HA   ARG  26           HA       ARG  26   3.777   0.634  -0.451
  218    HB2  ARG  26           HB2      ARG  26   5.161   1.194  -2.410
  219    HB3  ARG  26           HB3      ARG  26   6.570   0.498  -1.615
  220    HG2  ARG  26           HG2      ARG  26   5.478  -1.687  -1.591
  221    HG3  ARG  26           HG3      ARG  26   4.072  -0.994  -2.396
  222    HD2  ARG  26           HD2      ARG  26   5.603  -0.349  -4.281
  223    HD3  ARG  26           HD3      ARG  26   6.859  -1.305  -3.491
  224    HE   ARG  26           HE       ARG  26   4.495  -2.832  -3.799
  225   HH11  ARG  26          HH11      ARG  26   7.264  -1.640  -5.598
  226   HH12  ARG  26          HH12      ARG  26   7.123  -2.844  -6.844
  227   HH21  ARG  26          HH21      ARG  26   4.332  -4.424  -5.411
  228   HH22  ARG  26          HH22      ARG  26   5.449  -4.434  -6.740
  229    H    LYS  27           H        LYS  27   7.129   0.445   0.645
  230    HA   LYS  27           HA       LYS  27   7.175  -2.200   1.477
  231    HB2  LYS  27           HB2      LYS  27   9.202  -0.999   1.231
  232    HB3  LYS  27           HB3      LYS  27   8.687   0.248   2.353
  233    HG2  LYS  27           HG2      LYS  27   8.971  -1.201   4.215
  234    HG3  LYS  27           HG3      LYS  27   9.221  -2.597   3.162
  235    HD2  LYS  27           HD2      LYS  27  11.322  -1.848   2.466
  236    HD3  LYS  27           HD3      LYS  27  11.005  -0.194   2.992
  237    HE2  LYS  27           HE2      LYS  27  11.266  -2.536   4.866
  238    HE3  LYS  27           HE3      LYS  27  12.603  -1.467   4.437
  239    HZ1  LYS  27           HZ1      LYS  27  11.218   0.401   5.275
  240    HZ2  LYS  27           HZ2      LYS  27  11.688  -0.703   6.469
  241    HZ3  LYS  27           HZ3      LYS  27  10.102  -0.737   5.863
  242    H    ASN  28           H        ASN  28   5.904   0.635   3.106
  243    HA   ASN  28           HA       ASN  28   5.682  -0.636   5.665
  244    HB2  ASN  28           HB2      ASN  28   4.585   1.935   4.546
  245    HB3  ASN  28           HB3      ASN  28   4.138   1.355   6.147
  246   HD21  ASN  28          HD21      ASN  28   5.529   3.764   5.472
  247   HD22  ASN  28          HD22      ASN  28   7.064   3.695   6.264
  248    H    THR  29           H        THR  29   3.650  -0.327   2.843
  249    HA   THR  29           HA       THR  29   1.241  -1.095   4.190
  250    HB   THR  29           HB       THR  29   1.388  -1.582   1.301
  251    HG1  THR  29           HG1      THR  29   2.662   0.232   1.248
  252   HG21  THR  29          HG21      THR  29  -0.433   0.076   3.034
  253   HG22  THR  29          HG22      THR  29  -0.711  -1.598   2.552
  254   HG23  THR  29          HG23      THR  29  -0.702  -0.320   1.337
  255    H    ASP  30           H        ASP  30   3.721  -2.777   2.281
  256    HA   ASP  30           HA       ASP  30   2.497  -5.304   2.202
  257    HB2  ASP  30           HB2      ASP  30   5.412  -4.513   2.274
  258    HB3  ASP  30           HB3      ASP  30   4.895  -6.191   2.166
  259    H    ASN  31           H        ASN  31   4.377  -3.688   4.673
  260    HA   ASN  31           HA       ASN  31   4.285  -5.905   6.489
  261    HB2  ASN  31           HB2      ASN  31   5.127  -3.033   6.729
  262    HB3  ASN  31           HB3      ASN  31   4.972  -4.045   8.161
  263   HD21  ASN  31          HD21      ASN  31   6.750  -3.501   5.206
  264   HD22  ASN  31          HD22      ASN  31   8.078  -4.542   5.595
  265    H    TYR  32           H        TYR  32   2.210  -3.266   5.672
  266    HA   TYR  32           HA       TYR  32   0.685  -3.284   8.088
  267    HB2  TYR  32           HB2      TYR  32   0.609  -1.294   6.749
  268    HB3  TYR  32           HB3      TYR  32   0.083  -2.198   5.328
  269    HD1  TYR  32           HD1      TYR  32  -0.982  -1.376   8.810
  270    HD2  TYR  32           HD2      TYR  32  -2.198  -2.338   4.845
  271    HE1  TYR  32           HE1      TYR  32  -3.326  -1.011   9.446
  272    HE2  TYR  32           HE2      TYR  32  -4.550  -1.968   5.478
  273    HH   TYR  32           HH       TYR  32  -5.918  -2.023   7.584
  274    H    ALA  33           H        ALA  33   0.039  -4.522   4.815
  275    HA   ALA  33           HA       ALA  33  -2.441  -5.683   5.513
  276    HB1  ALA  33           HB1      ALA  33  -1.825  -5.056   3.217
  277    HB2  ALA  33           HB2      ALA  33  -2.369  -6.731   3.336
  278    HB3  ALA  33           HB3      ALA  33  -0.648  -6.372   3.190
  279    H    ARG  34           H        ARG  34   0.847  -6.970   5.364
  280    HA   ARG  34           HA       ARG  34   0.195  -9.674   5.821
  281    HB2  ARG  34           HB2      ARG  34   2.403  -8.767   5.028
  282    HB3  ARG  34           HB3      ARG  34   2.714  -8.232   6.672
  283    HG2  ARG  34           HG2      ARG  34   2.875 -10.433   7.472
  284    HG3  ARG  34           HG3      ARG  34   2.144 -11.102   6.010
  285    HD2  ARG  34           HD2      ARG  34   4.098 -10.302   4.719
  286    HD3  ARG  34           HD3      ARG  34   4.832  -9.755   6.223
  287    HE   ARG  34           HE       ARG  34   5.141 -12.004   6.865
  288   HH11  ARG  34          HH11      ARG  34   3.711 -11.698   3.695
  289   HH12  ARG  34          HH12      ARG  34   4.233 -13.259   3.151
  290   HH21  ARG  34          HH21      ARG  34   5.856 -14.067   6.170
  291   HH22  ARG  34          HH22      ARG  34   5.449 -14.627   4.571
  292    H    GLU  35           H        GLU  35   0.585  -6.930   7.932
  293    HA   GLU  35           HA       GLU  35   0.691  -8.239  10.427
  294    HB2  GLU  35           HB2      GLU  35   1.277  -5.885  10.130
  295    HB3  GLU  35           HB3      GLU  35  -0.372  -5.510   9.661
  296    HG2  GLU  35           HG2      GLU  35  -0.215  -4.784  11.858
  297    HG3  GLU  35           HG3      GLU  35  -1.035  -6.340  11.977
  298    H    ILE  36           H        ILE  36  -2.027  -6.942   8.538
  299    HA   ILE  36           HA       ILE  36  -3.922  -7.753  10.568
  300    HB   ILE  36           HB       ILE  36  -5.632  -6.749   9.122
  301   HG12  ILE  36          HG12      ILE  36  -3.321  -6.199   7.242
  302   HG13  ILE  36          HG13      ILE  36  -4.663  -7.296   6.936
  303   HG21  ILE  36          HG21      ILE  36  -4.824  -4.437   9.256
  304   HG22  ILE  36          HG22      ILE  36  -3.187  -5.034   9.530
  305   HG23  ILE  36          HG23      ILE  36  -4.455  -5.355  10.715
  306   HD11  ILE  36          HD11      ILE  36  -4.952  -5.207   5.747
  307   HD12  ILE  36          HD12      ILE  36  -4.857  -4.311   7.265
  308   HD13  ILE  36          HD13      ILE  36  -6.209  -5.406   6.969
  309    H    GLY  37           H        GLY  37  -2.627  -9.096   7.686
  310    HA2  GLY  37           HA2      GLY  37  -2.918 -11.436   7.245
  311    HA3  GLY  37           HA3      GLY  37  -4.524 -11.331   7.951
  312    H    GLU  38           H        GLU  38  -3.182  -9.079   5.632
  313    HA   GLU  38           HA       GLU  38  -5.269  -9.879   3.719
  314    HB2  GLU  38           HB2      GLU  38  -5.294  -7.536   4.663
  315    HB3  GLU  38           HB3      GLU  38  -3.759  -7.263   3.852
  316    HG2  GLU  38           HG2      GLU  38  -5.476  -6.338   2.505
  317    HG3  GLU  38           HG3      GLU  38  -4.878  -7.789   1.699
  318    HA   PRO  39           HA       PRO  39  -1.581 -11.329   1.548
  319    HB2  PRO  39           HB2      PRO  39  -3.388 -12.733  -0.225
  320    HB3  PRO  39           HB3      PRO  39  -2.290 -13.399   0.984
  321    HG2  PRO  39           HG2      PRO  39  -5.012 -13.479   1.203
  322    HG3  PRO  39           HG3      PRO  39  -3.912 -13.487   2.592
  323    HD2  PRO  39           HD2      PRO  39  -5.486 -11.223   1.430
  324    HD3  PRO  39           HD3      PRO  39  -5.172 -11.622   3.133
  325    H    VAL  40           H        VAL  40  -4.333  -9.660   0.260
  326    HA   VAL  40           HA       VAL  40  -2.803  -9.002  -2.176
  327    HB   VAL  40           HB       VAL  40  -5.814  -9.236  -1.966
  328   HG11  VAL  40          HG11      VAL  40  -5.772  -8.969  -4.403
  329   HG12  VAL  40          HG12      VAL  40  -4.028  -8.713  -4.340
  330   HG13  VAL  40          HG13      VAL  40  -5.119  -7.556  -3.576
  331   HG21  VAL  40          HG21      VAL  40  -3.801 -11.066  -3.266
  332   HG22  VAL  40          HG22      VAL  40  -5.550 -11.193  -3.446
  333   HG23  VAL  40          HG23      VAL  40  -4.807 -11.429  -1.863
  334    H    VAL  41           H        VAL  41  -2.194  -6.962  -2.153
  335    HA   VAL  41           HA       VAL  41  -3.513  -5.057  -0.412
  336    HB   VAL  41           HB       VAL  41  -1.150  -4.613  -2.247
  337   HG11  VAL  41          HG11      VAL  41  -2.189  -3.019   0.093
  338   HG12  VAL  41          HG12      VAL  41  -2.232  -2.545  -1.605
  339   HG13  VAL  41          HG13      VAL  41  -0.685  -2.697  -0.772
  340   HG21  VAL  41          HG21      VAL  41   0.253  -4.918  -0.271
  341   HG22  VAL  41          HG22      VAL  41  -0.664  -6.379  -0.632
  342   HG23  VAL  41          HG23      VAL  41  -1.171  -5.323   0.685
  343    H    THR  42           H        THR  42  -5.388  -4.338  -1.208
  344    HA   THR  42           HA       THR  42  -5.548  -3.471  -3.998
  345    HB   THR  42           HB       THR  42  -7.973  -3.242  -3.574
  346    HG1  THR  42           HG1      THR  42  -8.794  -3.434  -1.601
  347   HG21  THR  42          HG21      THR  42  -7.120  -5.387  -4.373
  348   HG22  THR  42          HG22      THR  42  -8.489  -5.623  -3.286
  349   HG23  THR  42          HG23      THR  42  -6.846  -5.908  -2.710
  350    H    ALA  43           H        ALA  43  -7.210  -1.434  -4.073
  351    HA   ALA  43           HA       ALA  43  -5.808   0.801  -3.108
  352    HB1  ALA  43           HB1      ALA  43  -8.679   0.628  -4.013
  353    HB2  ALA  43           HB2      ALA  43  -7.280   0.880  -5.057
  354    HB3  ALA  43           HB3      ALA  43  -7.723   2.103  -3.867
  355    H    ASP  44           H        ASP  44  -8.467  -1.054  -1.801
  356    HA   ASP  44           HA       ASP  44  -9.304   0.755   0.205
  357    HB2  ASP  44           HB2      ASP  44  -9.422  -2.230   0.580
  358    HB3  ASP  44           HB3      ASP  44 -10.598  -1.010   1.053
  359    H    VAL  45           H        VAL  45  -6.908  -1.830   0.126
  360    HA   VAL  45           HA       VAL  45  -6.249  -1.872   2.856
  361    HB   VAL  45           HB       VAL  45  -4.452  -2.508   0.505
  362   HG11  VAL  45          HG11      VAL  45  -3.257  -3.946   2.106
  363   HG12  VAL  45          HG12      VAL  45  -4.282  -3.329   3.403
  364   HG13  VAL  45          HG13      VAL  45  -3.182  -2.242   2.552
  365   HG21  VAL  45          HG21      VAL  45  -6.281  -4.300   2.099
  366   HG22  VAL  45          HG22      VAL  45  -5.163  -4.826   0.842
  367   HG23  VAL  45          HG23      VAL  45  -6.523  -3.784   0.429
  368    H    PHE  46           H        PHE  46  -4.937  -0.023   0.143
  369    HA   PHE  46           HA       PHE  46  -2.878   1.272   1.567
  370    HB2  PHE  46           HB2      PHE  46  -3.046   1.161  -0.920
  371    HB3  PHE  46           HB3      PHE  46  -4.398   2.287  -0.850
  372    HD1  PHE  46           HD1      PHE  46  -0.784   1.917  -0.163
  373    HD2  PHE  46           HD2      PHE  46  -4.039   4.605  -0.707
  374    HE1  PHE  46           HE1      PHE  46   0.792   3.799  -0.277
  375    HE2  PHE  46           HE2      PHE  46  -2.465   6.494  -0.821
  376    HZ   PHE  46           HZ       PHE  46  -0.045   6.091  -0.609
  377    H    ARG  47           H        ARG  47  -6.269   2.034   1.045
  378    HA   ARG  47           HA       ARG  47  -6.288   4.631   2.140
  379    HB2  ARG  47           HB2      ARG  47  -8.130   3.544   0.792
  380    HB3  ARG  47           HB3      ARG  47  -8.545   2.617   2.226
  381    HG2  ARG  47           HG2      ARG  47 -10.032   4.437   2.159
  382    HG3  ARG  47           HG3      ARG  47  -8.849   4.814   3.417
  383    HD2  ARG  47           HD2      ARG  47  -7.596   6.165   1.756
  384    HD3  ARG  47           HD3      ARG  47  -8.891   5.870   0.595
  385    HE   ARG  47           HE       ARG  47  -9.846   6.996   3.057
  386   HH11  ARG  47          HH11      ARG  47  -8.410   7.774  -0.056
  387   HH12  ARG  47          HH12      ARG  47  -9.000   9.409  -0.053
  388   HH21  ARG  47          HH21      ARG  47 -10.614   9.141   3.046
  389   HH22  ARG  47          HH22      ARG  47 -10.239  10.190   1.717
  390    H    LYS  48           H        LYS  48  -6.896   1.457   3.569
  391    HA   LYS  48           HA       LYS  48  -7.447   2.439   6.183
  392    HB2  LYS  48           HB2      LYS  48  -6.786  -0.314   5.138
  393    HB3  LYS  48           HB3      LYS  48  -7.172   0.007   6.823
  394    HG2  LYS  48           HG2      LYS  48  -9.367   0.812   6.204
  395    HG3  LYS  48           HG3      LYS  48  -8.989   0.601   4.494
  396    HD2  LYS  48           HD2      LYS  48  -8.939  -1.670   6.471
  397    HD3  LYS  48           HD3      LYS  48 -10.389  -1.217   5.573
  398    HE2  LYS  48           HE2      LYS  48  -9.110  -1.538   3.463
  399    HE3  LYS  48           HE3      LYS  48  -7.753  -2.126   4.420
  400    HZ1  LYS  48           HZ1      LYS  48 -10.443  -3.361   4.554
  401    HZ2  LYS  48           HZ2      LYS  48  -8.970  -4.004   5.097
  402    HZ3  LYS  48           HZ3      LYS  48  -9.270  -3.865   3.438
  403    H    ALA  49           H        ALA  49  -4.555   1.363   4.534
  404    HA   ALA  49           HA       ALA  49  -2.851   0.918   6.684
  405    HB1  ALA  49           HB1      ALA  49  -2.281   0.381   4.365
  406    HB2  ALA  49           HB2      ALA  49  -1.021   1.345   5.138
  407    HB3  ALA  49           HB3      ALA  49  -2.139   2.103   4.004
  408    H    LYS  50           H        LYS  50  -3.765   3.927   5.111
  409    HA   LYS  50           HA       LYS  50  -1.881   5.655   6.182
  410    HB2  LYS  50           HB2      LYS  50  -4.788   6.191   5.551
  411    HB3  LYS  50           HB3      LYS  50  -3.572   7.434   5.819
  412    HG2  LYS  50           HG2      LYS  50  -3.409   5.359   3.644
  413    HG3  LYS  50           HG3      LYS  50  -4.080   6.975   3.424
  414    HD2  LYS  50           HD2      LYS  50  -1.286   6.479   4.437
  415    HD3  LYS  50           HD3      LYS  50  -1.669   6.682   2.726
  416    HE2  LYS  50           HE2      LYS  50  -2.556   8.892   3.159
  417    HE3  LYS  50           HE3      LYS  50  -2.288   8.687   4.890
  418    HZ1  LYS  50           HZ1      LYS  50  -0.092   8.588   2.894
  419    HZ2  LYS  50           HZ2      LYS  50   0.035   8.718   4.585
  420    HZ3  LYS  50           HZ3      LYS  50  -0.569  10.014   3.682
  421    H    GLU  51           H        GLU  51  -4.955   4.570   7.569
  422    HA   GLU  51           HA       GLU  51  -4.935   6.321   9.792
  423    HB2  GLU  51           HB2      GLU  51  -6.258   3.611   9.611
  424    HB3  GLU  51           HB3      GLU  51  -6.695   4.924  10.694
  425    HG2  GLU  51           HG2      GLU  51  -7.375   6.277   8.775
  426    HG3  GLU  51           HG3      GLU  51  -6.934   4.954   7.695
  427    H    HIS  52           H        HIS  52  -3.615   3.114   9.257
  428    HA   HIS  52           HA       HIS  52  -2.985   2.705  12.044
  429    HB2  HIS  52           HB2      HIS  52  -3.595   0.819  10.564
  430    HB3  HIS  52           HB3      HIS  52  -2.140   1.103   9.620
  431    HD1  HIS  52           HD1      HIS  52  -3.311  -0.237  12.913
  432    HD2  HIS  52           HD2      HIS  52   0.220   0.120  10.740
  433    HE1  HIS  52           HE1      HIS  52  -1.632  -1.696  14.093
  434    HE2  HIS  52           HE2      HIS  52   0.535  -1.334  12.856
  435    H    LEU  53           H        LEU  53  -1.249   3.631   9.114
  436    HA   LEU  53           HA       LEU  53   1.338   3.419  10.346
  437    HB2  LEU  53           HB2      LEU  53   0.488   4.742   7.768
  438    HB3  LEU  53           HB3      LEU  53   2.149   4.492   8.267
  439    HG   LEU  53           HG       LEU  53   0.150   2.305   7.696
  440   HD11  LEU  53          HD11      LEU  53   1.515   1.868   5.720
  441   HD12  LEU  53          HD12      LEU  53   2.527   3.260   6.105
  442   HD13  LEU  53          HD13      LEU  53   0.832   3.493   5.680
  443   HD21  LEU  53          HD21      LEU  53   3.089   2.166   8.362
  444   HD22  LEU  53          HD22      LEU  53   2.082   0.804   7.871
  445   HD23  LEU  53          HD23      LEU  53   1.760   1.637   9.391
  446    H    GLY  54           H        GLY  54  -0.834   6.098   9.507
  447    HA2  GLY  54           HA2      GLY  54  -0.339   7.734  11.616
  448    HA3  GLY  54           HA3      GLY  54   0.994   8.082  10.524
  449    H    GLY  55           H        GLY  55  -2.442   8.310  11.033
  450    HA2  GLY  55           HA2      GLY  55  -2.829  10.708   9.789
  451    HA3  GLY  55           HA3      GLY  55  -2.982   9.535   8.490
  452    H    LEU  56           H        LEU  56  -4.129   9.980  11.838
  453    HA   LEU  56           HA       LEU  56  -6.543   8.537  11.410
  454    HB2  LEU  56           HB2      LEU  56  -5.842  10.563  13.537
  455    HB3  LEU  56           HB3      LEU  56  -7.269   9.546  13.557
  456    HG   LEU  56           HG       LEU  56  -4.416   8.566  13.694
  457   HD11  LEU  56          HD11      LEU  56  -5.072   9.686  15.734
  458   HD12  LEU  56          HD12      LEU  56  -5.009   7.943  15.996
  459   HD13  LEU  56          HD13      LEU  56  -6.563   8.750  15.798
  460   HD21  LEU  56          HD21      LEU  56  -5.436   6.384  14.186
  461   HD22  LEU  56          HD22      LEU  56  -5.844   6.957  12.569
  462   HD23  LEU  56          HD23      LEU  56  -7.030   7.071  13.868
  463    H    GLU  57           H        GLU  57  -5.770  11.988  11.563
  464    HA   GLU  57           HA       GLU  57  -8.003  12.480   9.754
  465    HB2  GLU  57           HB2      GLU  57  -8.849  14.316  10.981
  466    HB3  GLU  57           HB3      GLU  57  -8.648  13.031  12.157
  467    HG2  GLU  57           HG2      GLU  57  -7.770  14.731  13.354
  468    HG3  GLU  57           HG3      GLU  57  -6.306  14.248  12.499
  469    H    HIS  58           H        HIS  58  -7.711  14.761   8.745
  470    HA   HIS  58           HA       HIS  58  -4.824  15.001   8.252
  471    HB2  HIS  58           HB2      HIS  58  -7.115  14.934   6.350
  472    HB3  HIS  58           HB3      HIS  58  -5.678  15.858   5.921
  473    HD1  HIS  58           HD1      HIS  58  -6.878  12.349   6.501
  474    HD2  HIS  58           HD2      HIS  58  -3.406  14.347   5.364
  475    HE1  HIS  58           HE1      HIS  58  -5.306  10.569   5.663
  476    HE2  HIS  58           HE2      HIS  58  -3.145  11.786   5.210
  477    H    HIS  59           H        HIS  59  -4.462  16.622   9.662
  478    HA   HIS  59           HA       HIS  59  -3.952  18.753  10.160
  479    HB2  HIS  59           HB2      HIS  59  -3.283  18.598   7.718
  480    HB3  HIS  59           HB3      HIS  59  -4.781  19.444   7.349
  481    HD1  HIS  59           HD1      HIS  59  -1.355  19.958   8.739
  482    HD2  HIS  59           HD2      HIS  59  -4.814  22.167   8.047
  483    HE1  HIS  59           HE1      HIS  59  -0.689  22.372   9.000
  484    HE2  HIS  59           HE2      HIS  59  -2.823  23.683   8.693
  485    H    HIS  60           H        HIS  60  -6.132  18.378  11.396
  486    HA   HIS  60           HA       HIS  60  -7.319  21.035  11.257
  487    HB2  HIS  60           HB2      HIS  60  -8.852  18.549  10.761
  488    HB3  HIS  60           HB3      HIS  60  -9.587  19.692  11.879
  489    HD1  HIS  60           HD1      HIS  60 -10.564  18.925   8.925
  490    HD2  HIS  60           HD2      HIS  60  -8.619  22.405  10.098
  491    HE1  HIS  60           HE1      HIS  60 -11.187  20.656   7.212
  492    HE2  HIS  60           HE2      HIS  60 -10.168  22.803   8.061
  493    H    HIS  61           H        HIS  61  -6.433  18.178  12.955
  494    HA   HIS  61           HA       HIS  61  -6.078  17.732  15.148
  495    HB2  HIS  61           HB2      HIS  61  -6.362  20.727  15.347
  496    HB3  HIS  61           HB3      HIS  61  -6.074  19.724  16.765
  497    HD1  HIS  61           HD1      HIS  61  -3.701  19.290  17.309
  498    HD2  HIS  61           HD2      HIS  61  -4.215  20.413  13.336
  499    HE1  HIS  61           HE1      HIS  61  -1.382  19.466  16.345
  500    HE2  HIS  61           HE2      HIS  61  -1.717  20.060  13.916
  501    H    HIS  62           H        HIS  62  -8.723  17.662  13.944
  502    HA   HIS  62           HA       HIS  62 -10.541  18.338  16.098
  503    HB2  HIS  62           HB2      HIS  62 -11.288  18.694  13.802
  504    HB3  HIS  62           HB3      HIS  62 -11.022  16.995  13.427
  505    HD1  HIS  62           HD1      HIS  62 -13.356  19.277  15.284
  506    HD2  HIS  62           HD2      HIS  62 -13.047  15.270  14.219
  507    HE1  HIS  62           HE1      HIS  62 -15.589  18.255  15.832
  508    HE2  HIS  62           HE2      HIS  62 -15.276  15.785  15.419
  509    H    HIS  63           H        HIS  63 -10.707  17.040  17.777
  510    HA   HIS  63           HA       HIS  63 -11.098  14.193  17.341
  511    HB2  HIS  63           HB2      HIS  63  -8.646  14.508  17.744
  512    HB3  HIS  63           HB3      HIS  63  -9.036  15.198  19.316
  513    HD1  HIS  63           HD1      HIS  63  -8.981  11.953  17.446
  514    HD2  HIS  63           HD2      HIS  63  -9.749  13.354  21.286
  515    HE1  HIS  63           HE1      HIS  63  -9.087   9.907  18.910
  516    HE2  HIS  63           HE2      HIS  63  -9.790  10.773  21.170
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1   4.209 -13.262  -3.766
    2    H2   MET   1           H2       MET   1   5.481 -12.323  -3.156
    3    H3   MET   1           H3       MET   1   4.010 -12.406  -2.316
    4    HA   MET   1           HA       MET   1   4.334 -14.712  -1.836
    5    HB2  MET   1           HB2      MET   1   5.612 -15.211  -3.919
    6    HB3  MET   1           HB3      MET   1   7.003 -14.384  -3.227
    7    HG2  MET   1           HG2      MET   1   7.100 -16.016  -1.429
    8    HG3  MET   1           HG3      MET   1   5.682 -16.835  -2.083
    9    HE1  MET   1           HE1      MET   1   6.852 -19.156  -2.200
   10    HE2  MET   1           HE2      MET   1   8.257 -18.424  -1.427
   11    HE3  MET   1           HE3      MET   1   8.463 -19.411  -2.873
   12    H    GLY   2           H        GLY   2   7.586 -13.281  -1.925
   13    HA2  GLY   2           HA2      GLY   2   7.703 -13.153   0.946
   14    HA3  GLY   2           HA3      GLY   2   8.924 -12.557  -0.176
   15    H    GLU   3           H        GLU   3   7.158 -10.935  -1.694
   16    HA   GLU   3           HA       GLU   3   6.408  -8.862   0.256
   17    HB2  GLU   3           HB2      GLU   3   7.291  -8.577  -2.628
   18    HB3  GLU   3           HB3      GLU   3   6.747  -7.251  -1.607
   19    HG2  GLU   3           HG2      GLU   3   8.623  -7.476  -0.170
   20    HG3  GLU   3           HG3      GLU   3   9.102  -8.992  -0.928
   21    H    LEU   4           H        LEU   4   4.346  -8.139   0.207
   22    HA   LEU   4           HA       LEU   4   2.408  -9.857  -0.890
   23    HB2  LEU   4           HB2      LEU   4   2.038  -7.058   0.157
   24    HB3  LEU   4           HB3      LEU   4   0.769  -8.240  -0.077
   25    HG   LEU   4           HG       LEU   4   3.037  -8.443   1.905
   26   HD11  LEU   4          HD11      LEU   4   0.087  -7.963   2.259
   27   HD12  LEU   4          HD12      LEU   4   1.390  -6.817   2.574
   28   HD13  LEU   4          HD13      LEU   4   1.228  -8.268   3.565
   29   HD21  LEU   4          HD21      LEU   4   1.882 -10.446   2.712
   30   HD22  LEU   4          HD22      LEU   4   2.440 -10.637   1.052
   31   HD23  LEU   4          HD23      LEU   4   0.738 -10.317   1.374
   32    H    SER   5           H        SER   5   0.835  -9.526  -2.458
   33    HA   SER   5           HA       SER   5   1.844  -8.217  -4.801
   34    HB2  SER   5           HB2      SER   5  -0.766  -9.676  -4.331
   35    HB3  SER   5           HB3      SER   5  -0.110  -9.214  -5.903
   36    HG   SER   5           HG       SER   5   1.786 -10.524  -5.248
   37    H    TRP   6           H        TRP   6   1.626  -6.097  -5.025
   38    HA   TRP   6           HA       TRP   6  -0.691  -4.672  -4.037
   39    HB2  TRP   6           HB2      TRP   6   1.791  -3.848  -5.544
   40    HB3  TRP   6           HB3      TRP   6   0.459  -2.731  -5.276
   41    HD1  TRP   6           HD1      TRP   6   2.451  -5.116  -2.911
   42    HE1  TRP   6           HE1      TRP   6   3.070  -3.768  -0.804
   43    HE3  TRP   6           HE3      TRP   6   0.371  -0.622  -4.179
   44    HZ2  TRP   6           HZ2      TRP   6   2.728  -1.155   0.177
   45    HZ3  TRP   6           HZ3      TRP   6   0.568   1.251  -2.601
   46    HH2  TRP   6           HH2      TRP   6   1.722   0.989  -0.465
   47    H    THR   7           H        THR   7  -2.379  -3.903  -5.278
   48    HA   THR   7           HA       THR   7  -2.530  -4.995  -7.984
   49    HB   THR   7           HB       THR   7  -4.927  -4.445  -7.887
   50    HG1  THR   7           HG1      THR   7  -5.815  -3.572  -6.005
   51   HG21  THR   7          HG21      THR   7  -5.554  -6.030  -6.111
   52   HG22  THR   7          HG22      THR   7  -3.913  -5.945  -5.475
   53   HG23  THR   7          HG23      THR   7  -4.201  -6.618  -7.077
   54    H    ALA   8           H        ALA   8  -3.708  -3.581  -9.617
   55    HA   ALA   8           HA       ALA   8  -2.256  -1.227 -10.094
   56    HB1  ALA   8           HB1      ALA   8  -4.931  -2.010 -11.253
   57    HB2  ALA   8           HB2      ALA   8  -3.359  -2.531 -11.863
   58    HB3  ALA   8           HB3      ALA   8  -3.805  -0.826 -11.921
   59    H    GLU   9           H        GLU   9  -5.239  -1.832  -8.413
   60    HA   GLU   9           HA       GLU   9  -6.278   0.747  -8.153
   61    HB2  GLU   9           HB2      GLU   9  -6.218  -1.336  -5.970
   62    HB3  GLU   9           HB3      GLU   9  -7.404  -0.060  -6.192
   63    HG2  GLU   9           HG2      GLU   9  -8.387  -1.147  -8.019
   64    HG3  GLU   9           HG3      GLU   9  -7.019  -2.249  -8.198
   65    H    ALA  10           H        ALA  10  -4.043  -1.017  -6.045
   66    HA   ALA  10           HA       ALA  10  -3.676   1.071  -4.188
   67    HB1  ALA  10           HB1      ALA  10  -1.875  -1.276  -4.762
   68    HB2  ALA  10           HB2      ALA  10  -3.253  -1.282  -3.662
   69    HB3  ALA  10           HB3      ALA  10  -1.850  -0.273  -3.311
   70    H    GLU  11           H        GLU  11  -1.760   0.008  -6.984
   71    HA   GLU  11           HA       GLU  11   0.333   1.871  -6.578
   72    HB2  GLU  11           HB2      GLU  11  -0.533   0.352  -9.028
   73    HB3  GLU  11           HB3      GLU  11   0.879   1.398  -8.998
   74    HG2  GLU  11           HG2      GLU  11   1.646  -0.011  -7.006
   75    HG3  GLU  11           HG3      GLU  11   0.413  -1.162  -7.521
   76    H    LYS  12           H        LYS  12  -2.732   2.079  -8.272
   77    HA   LYS  12           HA       LYS  12  -2.224   4.477  -9.664
   78    HB2  LYS  12           HB2      LYS  12  -4.140   3.106 -10.220
   79    HB3  LYS  12           HB3      LYS  12  -4.819   3.333  -8.617
   80    HG2  LYS  12           HG2      LYS  12  -5.284   5.625  -9.051
   81    HG3  LYS  12           HG3      LYS  12  -4.365   5.585 -10.558
   82    HD2  LYS  12           HD2      LYS  12  -6.803   5.509 -10.935
   83    HD3  LYS  12           HD3      LYS  12  -5.978   4.074 -11.543
   84    HE2  LYS  12           HE2      LYS  12  -7.965   3.354 -10.448
   85    HE3  LYS  12           HE3      LYS  12  -6.602   2.911  -9.423
   86    HZ1  LYS  12           HZ1      LYS  12  -8.481   5.174  -9.035
   87    HZ2  LYS  12           HZ2      LYS  12  -7.066   4.973  -8.130
   88    HZ3  LYS  12           HZ3      LYS  12  -8.295   3.805  -8.050
   89    H    MET  13           H        MET  13  -3.396   3.842  -6.398
   90    HA   MET  13           HA       MET  13  -3.728   6.638  -5.782
   91    HB2  MET  13           HB2      MET  13  -3.740   4.181  -4.021
   92    HB3  MET  13           HB3      MET  13  -4.093   5.808  -3.457
   93    HG2  MET  13           HG2      MET  13  -5.990   5.908  -5.022
   94    HG3  MET  13           HG3      MET  13  -5.658   4.241  -5.491
   95    HE1  MET  13           HE1      MET  13  -4.789   2.961  -2.699
   96    HE2  MET  13           HE2      MET  13  -5.878   2.174  -3.840
   97    HE3  MET  13           HE3      MET  13  -6.335   2.320  -2.144
   98    H    LEU  14           H        LEU  14  -1.229   4.258  -5.545
   99    HA   LEU  14           HA       LEU  14   0.430   5.716  -3.718
  100    HB2  LEU  14           HB2      LEU  14   0.519   3.255  -3.990
  101    HB3  LEU  14           HB3      LEU  14   1.123   3.474  -5.620
  102    HG   LEU  14           HG       LEU  14   3.150   4.560  -4.706
  103   HD11  LEU  14          HD11      LEU  14   1.950   3.805  -2.047
  104   HD12  LEU  14          HD12      LEU  14   2.252   5.438  -2.640
  105   HD13  LEU  14          HD13      LEU  14   3.604   4.360  -2.295
  106   HD21  LEU  14          HD21      LEU  14   3.159   2.180  -5.210
  107   HD22  LEU  14          HD22      LEU  14   2.550   1.822  -3.594
  108   HD23  LEU  14          HD23      LEU  14   4.154   2.525  -3.795
  109    H    GLY  15           H        GLY  15  -0.185   5.768  -7.092
  110    HA2  GLY  15           HA2      GLY  15   2.228   6.872  -8.039
  111    HA3  GLY  15           HA3      GLY  15   0.662   7.006  -8.823
  112    H    LYS  16           H        LYS  16  -0.365   8.279  -6.253
  113    HA   LYS  16           HA       LYS  16   0.175  11.000  -6.954
  114    HB2  LYS  16           HB2      LYS  16  -1.251   9.798  -4.574
  115    HB3  LYS  16           HB3      LYS  16  -1.162  11.523  -4.903
  116    HG2  LYS  16           HG2      LYS  16  -2.317  11.121  -7.060
  117    HG3  LYS  16           HG3      LYS  16  -2.499   9.427  -6.595
  118    HD2  LYS  16           HD2      LYS  16  -3.766  10.095  -4.618
  119    HD3  LYS  16           HD3      LYS  16  -3.570  11.792  -5.056
  120    HE2  LYS  16           HE2      LYS  16  -5.043   9.691  -6.635
  121    HE3  LYS  16           HE3      LYS  16  -5.774  10.985  -5.689
  122    HZ1  LYS  16           HZ1      LYS  16  -4.224  11.204  -8.202
  123    HZ2  LYS  16           HZ2      LYS  16  -4.495  12.540  -7.205
  124    HZ3  LYS  16           HZ3      LYS  16  -5.810  11.718  -7.895
  125    H    VAL  17           H        VAL  17   1.620   8.683  -4.919
  126    HA   VAL  17           HA       VAL  17   2.898  10.638  -3.180
  127    HB   VAL  17           HB       VAL  17   3.148   7.625  -3.264
  128   HG11  VAL  17          HG11      VAL  17   5.102   8.677  -2.257
  129   HG12  VAL  17          HG12      VAL  17   4.148   7.832  -1.042
  130   HG13  VAL  17          HG13      VAL  17   4.060   9.588  -1.166
  131   HG21  VAL  17          HG21      VAL  17   1.692   7.620  -1.310
  132   HG22  VAL  17          HG22      VAL  17   0.886   8.355  -2.694
  133   HG23  VAL  17          HG23      VAL  17   1.536   9.373  -1.410
  134    HA   PRO  18           HA       PRO  18   6.373  11.162  -5.942
  135    HB2  PRO  18           HB2      PRO  18   7.738  11.690  -3.342
  136    HB3  PRO  18           HB3      PRO  18   7.741  12.645  -4.832
  137    HG2  PRO  18           HG2      PRO  18   6.282  13.411  -2.749
  138    HG3  PRO  18           HG3      PRO  18   5.657  13.570  -4.400
  139    HD2  PRO  18           HD2      PRO  18   4.969  11.568  -2.292
  140    HD3  PRO  18           HD3      PRO  18   3.928  12.320  -3.517
  141    H    PHE  19           H        PHE  19   7.950   9.855  -6.658
  142    HA   PHE  19           HA       PHE  19   8.099   7.229  -5.725
  143    HB2  PHE  19           HB2      PHE  19   9.792   6.849  -7.382
  144    HB3  PHE  19           HB3      PHE  19   8.612   7.968  -8.052
  145    HD1  PHE  19           HD2      PHE  19   9.194  10.382  -8.264
  146    HD2  PHE  19           HD1      PHE  19  12.065   7.449  -7.126
  147    HE1  PHE  19           HE2      PHE  19  11.009  11.940  -8.836
  148    HE2  PHE  19           HE1      PHE  19  13.884   9.005  -7.696
  149    HZ   PHE  19           HZ       PHE  19  13.357  11.254  -8.551
  150    H    PHE  20           H        PHE  20   9.757   9.978  -4.599
  151    HA   PHE  20           HA       PHE  20  12.175   8.932  -3.674
  152    HB2  PHE  20           HB2      PHE  20  10.472  11.025  -2.304
  153    HB3  PHE  20           HB3      PHE  20  12.200  10.784  -2.094
  154    HD1  PHE  20           HD2      PHE  20  13.724  11.233  -4.045
  155    HD2  PHE  20           HD1      PHE  20   9.628  12.373  -3.996
  156    HE1  PHE  20           HE2      PHE  20  14.154  12.839  -5.860
  157    HE2  PHE  20           HE1      PHE  20  10.046  13.982  -5.811
  158    HZ   PHE  20           HZ       PHE  20  12.314  14.217  -6.746
  159    H    VAL  21           H        VAL  21   8.963   8.970  -2.205
  160    HA   VAL  21           HA       VAL  21   9.992   7.230  -0.064
  161    HB   VAL  21           HB       VAL  21   8.182   8.046   1.368
  162   HG11  VAL  21          HG11      VAL  21   9.763  10.315   0.167
  163   HG12  VAL  21          HG12      VAL  21  10.367   9.174   1.371
  164   HG13  VAL  21          HG13      VAL  21   9.045  10.269   1.779
  165   HG21  VAL  21          HG21      VAL  21   6.805   9.946   0.696
  166   HG22  VAL  21          HG22      VAL  21   6.538   8.562  -0.363
  167   HG23  VAL  21          HG23      VAL  21   7.531   9.912  -0.911
  168    H    ARG  22           H        ARG  22   8.101   7.311  -2.791
  169    HA   ARG  22           HA       ARG  22   5.853   5.792  -2.233
  170    HB2  ARG  22           HB2      ARG  22   6.193   6.865  -4.377
  171    HB3  ARG  22           HB3      ARG  22   7.580   5.836  -4.711
  172    HG2  ARG  22           HG2      ARG  22   6.085   3.879  -4.737
  173    HG3  ARG  22           HG3      ARG  22   4.710   4.955  -4.482
  174    HD2  ARG  22           HD2      ARG  22   6.589   4.981  -6.838
  175    HD3  ARG  22           HD3      ARG  22   4.922   4.409  -6.835
  176    HE   ARG  22           HE       ARG  22   4.858   7.029  -5.944
  177   HH11  ARG  22          HH11      ARG  22   5.757   5.308  -8.862
  178   HH12  ARG  22          HH12      ARG  22   5.420   6.660  -9.908
  179   HH21  ARG  22          HH21      ARG  22   4.416   8.791  -7.296
  180   HH22  ARG  22          HH22      ARG  22   4.675   8.658  -9.014
  181    H    LYS  23           H        LYS  23   9.071   4.694  -3.192
  182    HA   LYS  23           HA       LYS  23   8.521   1.935  -3.172
  183    HB2  LYS  23           HB2      LYS  23  10.469   2.993  -4.274
  184    HB3  LYS  23           HB3      LYS  23  11.148   3.353  -2.695
  185    HG2  LYS  23           HG2      LYS  23  11.330   0.974  -2.214
  186    HG3  LYS  23           HG3      LYS  23  10.617   0.598  -3.786
  187    HD2  LYS  23           HD2      LYS  23  13.192   2.119  -3.356
  188    HD3  LYS  23           HD3      LYS  23  13.075   0.414  -3.799
  189    HE2  LYS  23           HE2      LYS  23  11.978   0.999  -5.881
  190    HE3  LYS  23           HE3      LYS  23  11.973   2.704  -5.428
  191    HZ1  LYS  23           HZ1      LYS  23  13.774   2.036  -6.992
  192    HZ2  LYS  23           HZ2      LYS  23  14.452   1.107  -5.748
  193    HZ3  LYS  23           HZ3      LYS  23  14.324   2.788  -5.577
  194    H    LYS  24           H        LYS  24   9.435   4.194  -0.675
  195    HA   LYS  24           HA       LYS  24  10.152   2.257   1.289
  196    HB2  LYS  24           HB2      LYS  24  10.875   4.681   1.222
  197    HB3  LYS  24           HB3      LYS  24   9.254   5.104   1.751
  198    HG2  LYS  24           HG2      LYS  24   9.580   3.834   3.800
  199    HG3  LYS  24           HG3      LYS  24  11.200   3.377   3.267
  200    HD2  LYS  24           HD2      LYS  24  11.785   5.797   3.173
  201    HD3  LYS  24           HD3      LYS  24  10.203   6.162   3.865
  202    HE2  LYS  24           HE2      LYS  24  11.847   6.161   5.622
  203    HE3  LYS  24           HE3      LYS  24  10.783   4.772   5.824
  204    HZ1  LYS  24           HZ1      LYS  24  12.918   3.950   4.240
  205    HZ2  LYS  24           HZ2      LYS  24  12.569   3.494   5.839
  206    HZ3  LYS  24           HZ3      LYS  24  13.580   4.821   5.538
  207    H    VAL  25           H        VAL  25   7.242   4.186   0.637
  208    HA   VAL  25           HA       VAL  25   5.663   3.274   2.762
  209    HB   VAL  25           HB       VAL  25   4.770   4.111  -0.009
  210   HG11  VAL  25          HG11      VAL  25   3.185   3.926   2.553
  211   HG12  VAL  25          HG12      VAL  25   3.024   2.860   1.158
  212   HG13  VAL  25          HG13      VAL  25   2.597   4.565   1.017
  213   HG21  VAL  25          HG21      VAL  25   5.045   5.688   2.548
  214   HG22  VAL  25          HG22      VAL  25   4.331   6.290   1.052
  215   HG23  VAL  25          HG23      VAL  25   6.040   5.854   1.102
  216    H    ARG  26           H        ARG  26   6.270   1.906  -0.426
  217    HA   ARG  26           HA       ARG  26   4.349  -0.124  -0.408
  218    HB2  ARG  26           HB2      ARG  26   5.637   0.472  -2.402
  219    HB3  ARG  26           HB3      ARG  26   7.107  -0.132  -1.651
  220    HG2  ARG  26           HG2      ARG  26   6.155  -2.381  -1.599
  221    HG3  ARG  26           HG3      ARG  26   4.688  -1.774  -2.369
  222    HD2  ARG  26           HD2      ARG  26   7.456  -1.641  -3.555
  223    HD3  ARG  26           HD3      ARG  26   6.238  -2.850  -3.958
  224    HE   ARG  26           HE       ARG  26   5.243  -0.214  -4.328
  225   HH11  ARG  26          HH11      ARG  26   7.312  -2.639  -5.754
  226   HH12  ARG  26          HH12      ARG  26   7.069  -2.086  -7.379
  227   HH21  ARG  26          HH21      ARG  26   4.911   0.528  -6.488
  228   HH22  ARG  26          HH22      ARG  26   5.718  -0.280  -7.796
  229    H    LYS  27           H        LYS  27   7.649  -0.072   0.849
  230    HA   LYS  27           HA       LYS  27   7.709  -2.768   1.719
  231    HB2  LYS  27           HB2      LYS  27   9.730  -1.405   1.351
  232    HB3  LYS  27           HB3      LYS  27   9.281  -0.380   2.706
  233    HG2  LYS  27           HG2      LYS  27   9.476  -2.337   4.201
  234    HG3  LYS  27           HG3      LYS  27  10.038  -3.292   2.825
  235    HD2  LYS  27           HD2      LYS  27  11.935  -1.784   2.543
  236    HD3  LYS  27           HD3      LYS  27  11.361  -0.795   3.886
  237    HE2  LYS  27           HE2      LYS  27  11.628  -2.711   5.395
  238    HE3  LYS  27           HE3      LYS  27  12.239  -3.678   4.052
  239    HZ1  LYS  27           HZ1      LYS  27  14.074  -2.827   5.315
  240    HZ2  LYS  27           HZ2      LYS  27  13.493  -1.238   5.196
  241    HZ3  LYS  27           HZ3      LYS  27  14.052  -2.041   3.813
  242    H    ASN  28           H        ASN  28   6.526   0.194   3.138
  243    HA   ASN  28           HA       ASN  28   6.428  -0.796   5.831
  244    HB2  ASN  28           HB2      ASN  28   5.159   1.637   4.546
  245    HB3  ASN  28           HB3      ASN  28   5.069   1.270   6.265
  246   HD21  ASN  28          HD21      ASN  28   6.240   3.564   4.880
  247   HD22  ASN  28          HD22      ASN  28   7.896   3.621   5.393
  248    H    THR  29           H        THR  29   4.223  -0.484   3.142
  249    HA   THR  29           HA       THR  29   1.918  -1.296   4.640
  250    HB   THR  29           HB       THR  29   2.118  -1.406   1.662
  251    HG1  THR  29           HG1      THR  29   2.885   0.629   2.047
  252   HG21  THR  29          HG21      THR  29  -0.218  -0.758   1.769
  253   HG22  THR  29          HG22      THR  29  -0.106  -0.614   3.523
  254   HG23  THR  29          HG23      THR  29   0.067  -2.194   2.757
  255    H    ASP  30           H        ASP  30   4.352  -2.890   2.661
  256    HA   ASP  30           HA       ASP  30   3.150  -5.386   2.319
  257    HB2  ASP  30           HB2      ASP  30   5.268  -4.967   1.269
  258    HB3  ASP  30           HB3      ASP  30   6.040  -4.645   2.818
  259    H    ASN  31           H        ASN  31   4.976  -4.091   5.030
  260    HA   ASN  31           HA       ASN  31   4.534  -6.384   6.678
  261    HB2  ASN  31           HB2      ASN  31   5.621  -3.626   7.206
  262    HB3  ASN  31           HB3      ASN  31   5.390  -4.803   8.499
  263   HD21  ASN  31          HD21      ASN  31   7.200  -3.990   5.645
  264   HD22  ASN  31          HD22      ASN  31   8.458  -5.160   5.867
  265    H    TYR  32           H        TYR  32   2.773  -3.499   5.942
  266    HA   TYR  32           HA       TYR  32   1.233  -3.441   8.360
  267    HB2  TYR  32           HB2      TYR  32   1.479  -1.390   7.136
  268    HB3  TYR  32           HB3      TYR  32   0.822  -2.115   5.671
  269    HD1  TYR  32           HD1      TYR  32  -0.067  -1.157   9.151
  270    HD2  TYR  32           HD2      TYR  32  -1.479  -2.021   5.233
  271    HE1  TYR  32           HE1      TYR  32  -2.316  -0.407   9.804
  272    HE2  TYR  32           HE2      TYR  32  -3.733  -1.275   5.874
  273    HH   TYR  32           HH       TYR  32  -5.069  -1.026   7.921
  274    H    ALA  33           H        ALA  33   0.475  -4.426   5.019
  275    HA   ALA  33           HA       ALA  33  -2.162  -5.257   5.598
  276    HB1  ALA  33           HB1      ALA  33  -1.366  -4.646   3.347
  277    HB2  ALA  33           HB2      ALA  33  -2.164  -6.217   3.382
  278    HB3  ALA  33           HB3      ALA  33  -0.405  -6.123   3.308
  279    H    ARG  34           H        ARG  34   0.916  -6.895   5.703
  280    HA   ARG  34           HA       ARG  34  -0.013  -9.543   5.837
  281    HB2  ARG  34           HB2      ARG  34   2.330  -8.908   5.407
  282    HB3  ARG  34           HB3      ARG  34   2.477  -8.344   7.063
  283    HG2  ARG  34           HG2      ARG  34   2.290 -10.544   7.922
  284    HG3  ARG  34           HG3      ARG  34   1.795 -11.184   6.352
  285    HD2  ARG  34           HD2      ARG  34   4.476  -9.917   6.909
  286    HD3  ARG  34           HD3      ARG  34   4.173 -11.654   6.942
  287    HE   ARG  34           HE       ARG  34   3.692 -11.542   4.574
  288   HH11  ARG  34          HH11      ARG  34   5.319  -8.777   5.971
  289   HH12  ARG  34          HH12      ARG  34   5.844  -8.149   4.432
  290   HH21  ARG  34          HH21      ARG  34   4.427 -10.752   2.563
  291   HH22  ARG  34          HH22      ARG  34   5.324  -9.257   2.497
  292    H    GLU  35           H        GLU  35   0.154  -7.008   8.211
  293    HA   GLU  35           HA       GLU  35  -0.156  -8.708  10.495
  294    HB2  GLU  35           HB2      GLU  35  -0.596  -5.736  10.182
  295    HB3  GLU  35           HB3      GLU  35  -0.589  -6.597  11.714
  296    HG2  GLU  35           HG2      GLU  35   1.731  -6.399   9.812
  297    HG3  GLU  35           HG3      GLU  35   1.518  -5.447  11.280
  298    H    ILE  36           H        ILE  36  -2.329  -7.122   8.266
  299    HA   ILE  36           HA       ILE  36  -4.608  -7.736   9.993
  300    HB   ILE  36           HB       ILE  36  -5.985  -6.516   8.353
  301   HG12  ILE  36          HG12      ILE  36  -3.349  -5.943   6.977
  302   HG13  ILE  36          HG13      ILE  36  -4.636  -6.963   6.340
  303   HG21  ILE  36          HG21      ILE  36  -3.566  -5.031   9.367
  304   HG22  ILE  36          HG22      ILE  36  -5.062  -5.336  10.249
  305   HG23  ILE  36          HG23      ILE  36  -5.073  -4.281   8.836
  306   HD11  ILE  36          HD11      ILE  36  -4.652  -4.766   5.309
  307   HD12  ILE  36          HD12      ILE  36  -4.838  -4.014   6.895
  308   HD13  ILE  36          HD13      ILE  36  -6.121  -5.036   6.248
  309    H    GLY  37           H        GLY  37  -2.797  -9.371   7.867
  310    HA2  GLY  37           HA2      GLY  37  -3.159 -11.563   7.183
  311    HA3  GLY  37           HA3      GLY  37  -4.858 -11.384   7.586
  312    H    GLU  38           H        GLU  38  -3.394  -9.010   5.530
  313    HA   GLU  38           HA       GLU  38  -4.925 -10.115   3.267
  314    HB2  GLU  38           HB2      GLU  38  -3.963  -7.296   3.799
  315    HB3  GLU  38           HB3      GLU  38  -4.791  -7.805   2.334
  316    HG2  GLU  38           HG2      GLU  38  -5.953  -7.964   5.106
  317    HG3  GLU  38           HG3      GLU  38  -6.255  -6.662   3.956
  318    HA   PRO  39           HA       PRO  39  -0.741 -10.918   1.726
  319    HB2  PRO  39           HB2      PRO  39  -2.052 -12.645  -0.208
  320    HB3  PRO  39           HB3      PRO  39  -0.953 -13.086   1.100
  321    HG2  PRO  39           HG2      PRO  39  -3.599 -13.729   1.095
  322    HG3  PRO  39           HG3      PRO  39  -2.660 -13.470   2.577
  323    HD2  PRO  39           HD2      PRO  39  -4.547 -11.611   1.178
  324    HD3  PRO  39           HD3      PRO  39  -4.346 -11.914   2.918
  325    H    VAL  40           H        VAL  40  -3.563  -9.717   0.224
  326    HA   VAL  40           HA       VAL  40  -1.968  -8.715  -2.036
  327    HB   VAL  40           HB       VAL  40  -4.939  -9.302  -2.044
  328   HG11  VAL  40          HG11      VAL  40  -4.778  -8.869  -4.465
  329   HG12  VAL  40          HG12      VAL  40  -3.096  -8.386  -4.252
  330   HG13  VAL  40          HG13      VAL  40  -4.384  -7.447  -3.498
  331   HG21  VAL  40          HG21      VAL  40  -2.671 -10.779  -3.375
  332   HG22  VAL  40          HG22      VAL  40  -4.386 -11.117  -3.600
  333   HG23  VAL  40          HG23      VAL  40  -3.639 -11.357  -2.021
  334    H    VAL  41           H        VAL  41  -1.764  -6.581  -2.099
  335    HA   VAL  41           HA       VAL  41  -3.318  -4.966  -0.232
  336    HB   VAL  41           HB       VAL  41  -0.997  -4.126  -1.987
  337   HG11  VAL  41          HG11      VAL  41  -2.277  -2.774   0.391
  338   HG12  VAL  41          HG12      VAL  41  -2.401  -2.259  -1.290
  339   HG13  VAL  41          HG13      VAL  41  -0.843  -2.208  -0.464
  340   HG21  VAL  41          HG21      VAL  41   0.373  -4.308   0.033
  341   HG22  VAL  41          HG22      VAL  41  -0.324  -5.865  -0.410
  342   HG23  VAL  41          HG23      VAL  41  -1.013  -4.936   0.920
  343    H    THR  42           H        THR  42  -5.302  -4.713  -1.164
  344    HA   THR  42           HA       THR  42  -5.515  -3.772  -3.909
  345    HB   THR  42           HB       THR  42  -7.963  -3.925  -3.513
  346    HG1  THR  42           HG1      THR  42  -8.314  -5.218  -1.366
  347   HG21  THR  42          HG21      THR  42  -8.078  -6.367  -3.307
  348   HG22  THR  42          HG22      THR  42  -6.423  -6.398  -2.702
  349   HG23  THR  42          HG23      THR  42  -6.750  -5.883  -4.356
  350    H    ALA  43           H        ALA  43  -7.566  -2.084  -3.949
  351    HA   ALA  43           HA       ALA  43  -6.563   0.383  -3.052
  352    HB1  ALA  43           HB1      ALA  43  -9.390  -0.320  -3.857
  353    HB2  ALA  43           HB2      ALA  43  -8.101   0.208  -4.939
  354    HB3  ALA  43           HB3      ALA  43  -8.732   1.311  -3.717
  355    H    ASP  44           H        ASP  44  -8.893  -1.857  -1.692
  356    HA   ASP  44           HA       ASP  44  -9.893  -0.171   0.349
  357    HB2  ASP  44           HB2      ASP  44 -10.886  -2.364  -0.542
  358    HB3  ASP  44           HB3      ASP  44  -9.733  -3.182   0.503
  359    H    VAL  45           H        VAL  45  -7.347  -2.618   0.272
  360    HA   VAL  45           HA       VAL  45  -6.659  -2.462   3.008
  361    HB   VAL  45           HB       VAL  45  -4.930  -3.356   0.694
  362   HG11  VAL  45          HG11      VAL  45  -3.639  -2.928   2.716
  363   HG12  VAL  45          HG12      VAL  45  -3.720  -4.658   2.382
  364   HG13  VAL  45          HG13      VAL  45  -4.733  -3.956   3.644
  365   HG21  VAL  45          HG21      VAL  45  -5.691  -5.615   1.250
  366   HG22  VAL  45          HG22      VAL  45  -7.033  -4.580   0.762
  367   HG23  VAL  45          HG23      VAL  45  -6.777  -4.947   2.468
  368    H    PHE  46           H        PHE  46  -5.236  -0.957   0.109
  369    HA   PHE  46           HA       PHE  46  -3.099   0.281   1.480
  370    HB2  PHE  46           HB2      PHE  46  -3.128  -0.110  -0.965
  371    HB3  PHE  46           HB3      PHE  46  -4.376   1.121  -1.134
  372    HD1  PHE  46           HD1      PHE  46  -1.167   0.971   0.769
  373    HD2  PHE  46           HD2      PHE  46  -3.514   2.984  -2.153
  374    HE1  PHE  46           HE1      PHE  46   0.571   2.699   0.567
  375    HE2  PHE  46           HE2      PHE  46  -1.779   4.712  -2.360
  376    HZ   PHE  46           HZ       PHE  46   0.266   4.573  -0.999
  377    H    ARG  47           H        ARG  47  -6.396   1.285   0.834
  378    HA   ARG  47           HA       ARG  47  -6.136   3.997   1.541
  379    HB2  ARG  47           HB2      ARG  47  -8.105   3.043   0.390
  380    HB3  ARG  47           HB3      ARG  47  -8.534   2.182   1.860
  381    HG2  ARG  47           HG2      ARG  47  -8.897   4.283   3.018
  382    HG3  ARG  47           HG3      ARG  47  -8.390   5.180   1.583
  383    HD2  ARG  47           HD2      ARG  47 -10.821   5.104   1.770
  384    HD3  ARG  47           HD3      ARG  47 -10.264   4.254   0.329
  385    HE   ARG  47           HE       ARG  47 -10.744   2.642   2.710
  386   HH11  ARG  47          HH11      ARG  47 -11.907   3.778  -0.396
  387   HH12  ARG  47          HH12      ARG  47 -13.094   2.514  -0.557
  388   HH21  ARG  47          HH21      ARG  47 -12.288   0.967   2.495
  389   HH22  ARG  47          HH22      ARG  47 -13.311   0.924   1.088
  390    H    LYS  48           H        LYS  48  -6.800   1.091   3.447
  391    HA   LYS  48           HA       LYS  48  -7.234   2.367   5.923
  392    HB2  LYS  48           HB2      LYS  48  -6.160  -0.399   5.344
  393    HB3  LYS  48           HB3      LYS  48  -6.676   0.164   6.926
  394    HG2  LYS  48           HG2      LYS  48  -8.939   0.510   6.049
  395    HG3  LYS  48           HG3      LYS  48  -8.411  -0.110   4.482
  396    HD2  LYS  48           HD2      LYS  48  -7.808  -2.242   5.557
  397    HD3  LYS  48           HD3      LYS  48  -8.390  -1.619   7.099
  398    HE2  LYS  48           HE2      LYS  48 -10.047  -2.026   4.610
  399    HE3  LYS  48           HE3      LYS  48 -10.044  -3.064   6.033
  400    HZ1  LYS  48           HZ1      LYS  48 -10.918  -0.233   5.923
  401    HZ2  LYS  48           HZ2      LYS  48 -10.829  -1.156   7.342
  402    HZ3  LYS  48           HZ3      LYS  48 -11.916  -1.589   6.111
  403    H    ALA  49           H        ALA  49  -4.329   1.395   4.236
  404    HA   ALA  49           HA       ALA  49  -2.492   1.610   6.340
  405    HB1  ALA  49           HB1      ALA  49  -1.946   0.611   4.171
  406    HB2  ALA  49           HB2      ALA  49  -0.789   1.863   4.620
  407    HB3  ALA  49           HB3      ALA  49  -2.034   2.202   3.419
  408    H    LYS  50           H        LYS  50  -3.368   4.027   3.869
  409    HA   LYS  50           HA       LYS  50  -1.888   6.141   4.979
  410    HB2  LYS  50           HB2      LYS  50  -4.343   6.150   3.226
  411    HB3  LYS  50           HB3      LYS  50  -3.492   7.615   3.691
  412    HG2  LYS  50           HG2      LYS  50  -1.467   6.786   2.601
  413    HG3  LYS  50           HG3      LYS  50  -2.327   5.316   2.134
  414    HD2  LYS  50           HD2      LYS  50  -3.894   6.629   0.815
  415    HD3  LYS  50           HD3      LYS  50  -3.099   8.120   1.323
  416    HE2  LYS  50           HE2      LYS  50  -1.102   7.533   0.152
  417    HE3  LYS  50           HE3      LYS  50  -1.711   5.912  -0.182
  418    HZ1  LYS  50           HZ1      LYS  50  -2.844   8.448  -1.250
  419    HZ2  LYS  50           HZ2      LYS  50  -3.449   6.894  -1.553
  420    HZ3  LYS  50           HZ3      LYS  50  -1.915   7.329  -2.119
  421    H    GLU  51           H        GLU  51  -5.194   5.051   5.532
  422    HA   GLU  51           HA       GLU  51  -6.099   7.133   7.152
  423    HB2  GLU  51           HB2      GLU  51  -7.507   5.283   6.270
  424    HB3  GLU  51           HB3      GLU  51  -6.745   4.190   7.419
  425    HG2  GLU  51           HG2      GLU  51  -7.576   5.748   9.231
  426    HG3  GLU  51           HG3      GLU  51  -8.559   6.510   7.984
  427    H    HIS  52           H        HIS  52  -4.496   4.095   8.057
  428    HA   HIS  52           HA       HIS  52  -4.483   4.619  10.842
  429    HB2  HIS  52           HB2      HIS  52  -4.294   2.350   9.809
  430    HB3  HIS  52           HB3      HIS  52  -2.662   2.761   9.296
  431    HD1  HIS  52           HD1      HIS  52  -4.538   1.360  12.090
  432    HD2  HIS  52           HD2      HIS  52  -0.852   3.212  11.561
  433    HE1  HIS  52           HE1      HIS  52  -3.206   0.818  14.149
  434    HE2  HIS  52           HE2      HIS  52  -1.047   2.094  13.887
  435    H    LEU  53           H        LEU  53  -2.080   5.118   8.291
  436    HA   LEU  53           HA       LEU  53   0.027   5.822  10.067
  437    HB2  LEU  53           HB2      LEU  53  -0.297   6.418   7.126
  438    HB3  LEU  53           HB3      LEU  53   1.186   6.615   8.040
  439    HG   LEU  53           HG       LEU  53  -0.231   4.000   7.520
  440   HD11  LEU  53          HD11      LEU  53   2.329   5.129   6.405
  441   HD12  LEU  53          HD12      LEU  53   0.822   4.869   5.524
  442   HD13  LEU  53          HD13      LEU  53   1.733   3.490   6.144
  443   HD21  LEU  53          HD21      LEU  53   2.380   4.553   8.920
  444   HD22  LEU  53          HD22      LEU  53   1.727   2.961   8.536
  445   HD23  LEU  53          HD23      LEU  53   0.887   4.004   9.682
  446    H    GLY  54           H        GLY  54  -2.648   7.581   8.821
  447    HA2  GLY  54           HA2      GLY  54  -3.248   9.611  10.014
  448    HA3  GLY  54           HA3      GLY  54  -1.539  10.016  10.066
  449    H    GLY  55           H        GLY  55  -4.030   9.257   7.639
  450    HA2  GLY  55           HA2      GLY  55  -2.748  11.104   5.782
  451    HA3  GLY  55           HA3      GLY  55  -4.060   9.997   5.407
  452    H    LEU  56           H        LEU  56  -4.091  12.578   4.529
  453    HA   LEU  56           HA       LEU  56  -5.517  14.303   4.269
  454    HB2  LEU  56           HB2      LEU  56  -7.205  12.891   6.328
  455    HB3  LEU  56           HB3      LEU  56  -7.714  14.284   5.395
  456    HG   LEU  56           HG       LEU  56  -7.048  11.556   4.286
  457   HD11  LEU  56          HD11      LEU  56  -9.665  13.023   4.571
  458   HD12  LEU  56          HD12      LEU  56  -9.155  11.607   5.488
  459   HD13  LEU  56          HD13      LEU  56  -9.437  11.477   3.753
  460   HD21  LEU  56          HD21      LEU  56  -7.800  12.435   2.149
  461   HD22  LEU  56          HD22      LEU  56  -6.421  13.357   2.744
  462   HD23  LEU  56          HD23      LEU  56  -8.047  14.026   2.870
  463    H    GLU  57           H        GLU  57  -3.874  15.608   5.106
  464    HA   GLU  57           HA       GLU  57  -4.382  16.669   7.812
  465    HB2  GLU  57           HB2      GLU  57  -2.119  15.610   7.249
  466    HB3  GLU  57           HB3      GLU  57  -1.853  16.986   6.192
  467    HG2  GLU  57           HG2      GLU  57  -2.498  18.273   8.452
  468    HG3  GLU  57           HG3      GLU  57  -1.785  16.807   9.128
  469    H    HIS  58           H        HIS  58  -2.408  18.886   6.630
  470    HA   HIS  58           HA       HIS  58  -4.413  20.705   5.722
  471    HB2  HIS  58           HB2      HIS  58  -1.403  20.798   5.778
  472    HB3  HIS  58           HB3      HIS  58  -2.328  22.053   4.963
  473    HD1  HIS  58           HD1      HIS  58  -3.635  23.715   6.432
  474    HD2  HIS  58           HD2      HIS  58  -1.575  20.814   8.591
  475    HE1  HIS  58           HE1      HIS  58  -3.625  24.518   8.817
  476    HE2  HIS  58           HE2      HIS  58  -2.245  22.828  10.077
  477    H    HIS  59           H        HIS  59  -2.157  18.529   4.220
  478    HA   HIS  59           HA       HIS  59  -2.912  19.362   1.543
  479    HB2  HIS  59           HB2      HIS  59  -0.576  18.747   1.950
  480    HB3  HIS  59           HB3      HIS  59  -1.074  17.157   2.517
  481    HD1  HIS  59           HD1      HIS  59  -0.715  15.409   0.816
  482    HD2  HIS  59           HD2      HIS  59  -1.604  19.091  -0.908
  483    HE1  HIS  59           HE1      HIS  59  -0.638  15.034  -1.666
  484    HE2  HIS  59           HE2      HIS  59  -1.344  17.231  -2.682
  485    H    HIS  60           H        HIS  60  -5.001  18.793   1.148
  486    HA   HIS  60           HA       HIS  60  -5.549  15.982   0.871
  487    HB2  HIS  60           HB2      HIS  60  -7.626  15.990   2.243
  488    HB3  HIS  60           HB3      HIS  60  -6.158  16.143   3.188
  489    HD1  HIS  60           HD1      HIS  60  -8.332  16.945   4.831
  490    HD2  HIS  60           HD2      HIS  60  -6.836  19.625   2.020
  491    HE1  HIS  60           HE1      HIS  60  -9.108  19.214   5.572
  492    HE2  HIS  60           HE2      HIS  60  -8.412  20.768   3.725
  493    H    HIS  61           H        HIS  61  -5.679  16.619  -1.315
  494    HA   HIS  61           HA       HIS  61  -7.932  18.334  -2.025
  495    HB2  HIS  61           HB2      HIS  61  -5.559  17.303  -3.524
  496    HB3  HIS  61           HB3      HIS  61  -6.995  17.791  -4.420
  497    HD1  HIS  61           HD1      HIS  61  -3.921  19.170  -3.705
  498    HD2  HIS  61           HD2      HIS  61  -7.807  20.528  -3.070
  499    HE1  HIS  61           HE1      HIS  61  -3.748  21.672  -3.485
  500    HE2  HIS  61           HE2      HIS  61  -6.120  22.484  -3.176
  501    H    HIS  62           H        HIS  62  -9.825  17.473  -2.214
  502    HA   HIS  62           HA       HIS  62 -10.147  14.619  -2.522
  503    HB2  HIS  62           HB2      HIS  62 -11.513  15.941  -0.926
  504    HB3  HIS  62           HB3      HIS  62 -12.228  16.803  -2.282
  505    HD1  HIS  62           HD1      HIS  62 -12.195  13.420  -0.625
  506    HD2  HIS  62           HD2      HIS  62 -14.299  15.485  -3.562
  507    HE1  HIS  62           HE1      HIS  62 -14.233  12.026  -1.115
  508    HE2  HIS  62           HE2      HIS  62 -15.370  13.190  -3.041
  509    H    HIS  63           H        HIS  63  -9.398  14.280  -4.629
  510    HA   HIS  63           HA       HIS  63 -11.436  14.486  -6.632
  511    HB2  HIS  63           HB2      HIS  63 -10.228  15.738  -8.283
  512    HB3  HIS  63           HB3      HIS  63 -10.226  16.705  -6.814
  513    HD1  HIS  63           HD1      HIS  63  -8.004  15.061  -9.253
  514    HD2  HIS  63           HD2      HIS  63  -7.671  16.813  -5.492
  515    HE1  HIS  63           HE1      HIS  63  -5.542  15.459  -8.902
  516    HE2  HIS  63           HE2      HIS  63  -5.354  16.481  -6.601
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1  13.605 -10.095  -1.633
    2    H2   MET   1           H2       MET   1  14.612  -8.761  -1.356
    3    H3   MET   1           H3       MET   1  12.968  -8.523  -1.690
    4    HA   MET   1           HA       MET   1  14.147  -9.767   0.730
    5    HB2  MET   1           HB2      MET   1  12.500  -7.260   0.332
    6    HB3  MET   1           HB3      MET   1  12.986  -7.906   1.892
    7    HG2  MET   1           HG2      MET   1  15.342  -7.578   1.259
    8    HG3  MET   1           HG3      MET   1  14.810  -6.859  -0.260
    9    HE1  MET   1           HE1      MET   1  12.196  -5.298   0.734
   10    HE2  MET   1           HE2      MET   1  13.362  -4.597  -0.388
   11    HE3  MET   1           HE3      MET   1  12.858  -3.694   1.038
   12    H    GLY   2           H        GLY   2  11.103  -8.576  -0.645
   13    HA2  GLY   2           HA2      GLY   2   9.451 -10.683  -0.546
   14    HA3  GLY   2           HA3      GLY   2   9.554 -10.233   1.158
   15    H    GLU   3           H        GLU   3   7.712  -9.843  -1.496
   16    HA   GLU   3           HA       GLU   3   6.623  -7.318  -0.526
   17    HB2  GLU   3           HB2      GLU   3   8.390  -6.841  -2.269
   18    HB3  GLU   3           HB3      GLU   3   7.368  -7.676  -3.428
   19    HG2  GLU   3           HG2      GLU   3   5.635  -6.035  -3.163
   20    HG3  GLU   3           HG3      GLU   3   6.532  -5.246  -1.863
   21    H    LEU   4           H        LEU   4   4.506  -7.430  -0.467
   22    HA   LEU   4           HA       LEU   4   3.102  -9.707  -1.421
   23    HB2  LEU   4           HB2      LEU   4   2.112  -7.091  -0.299
   24    HB3  LEU   4           HB3      LEU   4   1.092  -8.484  -0.611
   25    HG   LEU   4           HG       LEU   4   3.398  -8.414   1.341
   26   HD11  LEU   4          HD11      LEU   4   1.512  -7.039   2.058
   27   HD12  LEU   4          HD12      LEU   4   1.677  -8.482   3.060
   28   HD13  LEU   4          HD13      LEU   4   0.422  -8.405   1.823
   29   HD21  LEU   4          HD21      LEU   4   1.341 -10.545   0.764
   30   HD22  LEU   4          HD22      LEU   4   2.510 -10.584   2.083
   31   HD23  LEU   4          HD23      LEU   4   3.066 -10.634   0.411
   32    H    SER   5           H        SER   5   0.870  -9.265  -2.542
   33    HA   SER   5           HA       SER   5   1.604  -8.273  -5.167
   34    HB2  SER   5           HB2      SER   5  -0.872  -9.749  -4.244
   35    HB3  SER   5           HB3      SER   5  -0.452  -9.391  -5.920
   36    HG   SER   5           HG       SER   5   1.191 -10.904  -4.154
   37    H    TRP   6           H        TRP   6   1.486  -6.098  -5.176
   38    HA   TRP   6           HA       TRP   6  -0.826  -4.664  -4.228
   39    HB2  TRP   6           HB2      TRP   6   1.659  -3.902  -5.751
   40    HB3  TRP   6           HB3      TRP   6   0.336  -2.761  -5.537
   41    HD1  TRP   6           HD1      TRP   6   2.551  -4.975  -3.204
   42    HE1  TRP   6           HE1      TRP   6   3.058  -3.592  -1.086
   43    HE3  TRP   6           HE3      TRP   6  -0.127  -0.768  -4.323
   44    HZ2  TRP   6           HZ2      TRP   6   2.410  -1.055  -0.043
   45    HZ3  TRP   6           HZ3      TRP   6  -0.128   1.092  -2.715
   46    HH2  TRP   6           HH2      TRP   6   1.115   0.948  -0.620
   47    H    THR   7           H        THR   7  -2.648  -4.212  -5.365
   48    HA   THR   7           HA       THR   7  -2.765  -5.092  -8.140
   49    HB   THR   7           HB       THR   7  -5.179  -4.724  -7.990
   50    HG1  THR   7           HG1      THR   7  -6.111  -3.758  -6.305
   51   HG21  THR   7          HG21      THR   7  -4.300  -6.870  -7.256
   52   HG22  THR   7          HG22      THR   7  -5.695  -6.411  -6.278
   53   HG23  THR   7          HG23      THR   7  -4.064  -6.235  -5.628
   54    H    ALA   8           H        ALA   8  -4.179  -3.639  -9.610
   55    HA   ALA   8           HA       ALA   8  -2.660  -1.323 -10.108
   56    HB1  ALA   8           HB1      ALA   8  -4.203  -0.897 -11.920
   57    HB2  ALA   8           HB2      ALA   8  -5.353  -2.051 -11.243
   58    HB3  ALA   8           HB3      ALA   8  -3.798  -2.613 -11.856
   59    H    GLU   9           H        GLU   9  -5.720  -1.815  -8.466
   60    HA   GLU   9           HA       GLU   9  -6.597   0.838  -8.304
   61    HB2  GLU   9           HB2      GLU   9  -6.891  -1.242  -6.128
   62    HB3  GLU   9           HB3      GLU   9  -7.897   0.175  -6.372
   63    HG2  GLU   9           HG2      GLU   9  -9.193  -1.567  -7.163
   64    HG3  GLU   9           HG3      GLU   9  -8.491  -0.880  -8.628
   65    H    ALA  10           H        ALA  10  -4.504  -1.021  -6.129
   66    HA   ALA  10           HA       ALA  10  -4.165   1.053  -4.235
   67    HB1  ALA  10           HB1      ALA  10  -3.823  -1.303  -3.685
   68    HB2  ALA  10           HB2      ALA  10  -2.390  -0.345  -3.316
   69    HB3  ALA  10           HB3      ALA  10  -2.427  -1.355  -4.761
   70    H    GLU  11           H        GLU  11  -2.141  -0.113  -6.910
   71    HA   GLU  11           HA       GLU  11  -0.017   1.676  -6.425
   72    HB2  GLU  11           HB2      GLU  11  -0.779   0.223  -8.954
   73    HB3  GLU  11           HB3      GLU  11   0.719   1.120  -8.734
   74    HG2  GLU  11           HG2      GLU  11   1.003  -0.414  -6.648
   75    HG3  GLU  11           HG3      GLU  11  -0.151  -1.445  -7.493
   76    H    LYS  12           H        LYS  12  -2.987   1.999  -8.245
   77    HA   LYS  12           HA       LYS  12  -2.441   4.300  -9.716
   78    HB2  LYS  12           HB2      LYS  12  -4.512   3.052  -9.959
   79    HB3  LYS  12           HB3      LYS  12  -4.993   3.471  -8.321
   80    HG2  LYS  12           HG2      LYS  12  -5.107   5.837  -8.984
   81    HG3  LYS  12           HG3      LYS  12  -4.690   5.376 -10.636
   82    HD2  LYS  12           HD2      LYS  12  -6.705   4.038 -10.801
   83    HD3  LYS  12           HD3      LYS  12  -7.101   4.384  -9.117
   84    HE2  LYS  12           HE2      LYS  12  -7.307   6.758  -9.652
   85    HE3  LYS  12           HE3      LYS  12  -6.902   6.420 -11.334
   86    HZ1  LYS  12           HZ1      LYS  12  -9.302   6.648 -10.952
   87    HZ2  LYS  12           HZ2      LYS  12  -9.262   5.319  -9.903
   88    HZ3  LYS  12           HZ3      LYS  12  -8.897   5.112 -11.545
   89    H    MET  13           H        MET  13  -3.468   3.981  -6.346
   90    HA   MET  13           HA       MET  13  -3.361   6.829  -5.899
   91    HB2  MET  13           HB2      MET  13  -3.726   4.491  -4.024
   92    HB3  MET  13           HB3      MET  13  -3.723   6.170  -3.498
   93    HG2  MET  13           HG2      MET  13  -5.640   6.613  -4.964
   94    HG3  MET  13           HG3      MET  13  -5.653   4.918  -5.439
   95    HE1  MET  13           HE1      MET  13  -6.337   2.936  -3.869
   96    HE2  MET  13           HE2      MET  13  -6.658   3.111  -2.141
   97    HE3  MET  13           HE3      MET  13  -5.031   3.386  -2.771
   98    H    LEU  14           H        LEU  14  -1.294   4.055  -5.440
   99    HA   LEU  14           HA       LEU  14   0.630   5.269  -3.762
  100    HB2  LEU  14           HB2      LEU  14   0.424   2.832  -4.099
  101    HB3  LEU  14           HB3      LEU  14   0.979   3.023  -5.749
  102    HG   LEU  14           HG       LEU  14   3.140   3.904  -4.852
  103   HD11  LEU  14          HD11      LEU  14   1.999   2.962  -2.227
  104   HD12  LEU  14          HD12      LEU  14   2.361   4.631  -2.667
  105   HD13  LEU  14          HD13      LEU  14   3.669   3.458  -2.504
  106   HD21  LEU  14          HD21      LEU  14   2.881   1.587  -5.589
  107   HD22  LEU  14          HD22      LEU  14   2.359   1.132  -3.965
  108   HD23  LEU  14          HD23      LEU  14   4.000   1.716  -4.233
  109    H    GLY  15           H        GLY  15   0.117   5.299  -7.218
  110    HA2  GLY  15           HA2      GLY  15   2.649   6.280  -8.015
  111    HA3  GLY  15           HA3      GLY  15   1.155   6.430  -8.929
  112    H    LYS  16           H        LYS  16   0.150   7.777  -6.295
  113    HA   LYS  16           HA       LYS  16   0.727  10.484  -7.110
  114    HB2  LYS  16           HB2      LYS  16  -0.770   9.428  -4.708
  115    HB3  LYS  16           HB3      LYS  16  -0.758  11.101  -5.252
  116    HG2  LYS  16           HG2      LYS  16  -1.853   8.761  -6.800
  117    HG3  LYS  16           HG3      LYS  16  -2.806   9.952  -5.916
  118    HD2  LYS  16           HD2      LYS  16  -2.040  11.716  -7.386
  119    HD3  LYS  16           HD3      LYS  16  -0.961  10.595  -8.217
  120    HE2  LYS  16           HE2      LYS  16  -3.961  10.329  -8.119
  121    HE3  LYS  16           HE3      LYS  16  -3.068  11.071  -9.445
  122    HZ1  LYS  16           HZ1      LYS  16  -2.762   8.258  -8.540
  123    HZ2  LYS  16           HZ2      LYS  16  -1.943   8.983  -9.834
  124    HZ3  LYS  16           HZ3      LYS  16  -3.624   8.762  -9.909
  125    H    VAL  17           H        VAL  17   2.029   8.192  -4.992
  126    HA   VAL  17           HA       VAL  17   3.188  10.002  -3.087
  127    HB   VAL  17           HB       VAL  17   3.681   7.067  -3.639
  128   HG11  VAL  17          HG11      VAL  17   5.622   8.047  -2.540
  129   HG12  VAL  17          HG12      VAL  17   4.744   6.995  -1.429
  130   HG13  VAL  17          HG13      VAL  17   4.583   8.747  -1.297
  131   HG21  VAL  17          HG21      VAL  17   2.020   8.452  -1.535
  132   HG22  VAL  17          HG22      VAL  17   2.337   6.719  -1.600
  133   HG23  VAL  17          HG23      VAL  17   1.421   7.494  -2.891
  134    HA   PRO  18           HA       PRO  18   6.689  11.217  -5.595
  135    HB2  PRO  18           HB2      PRO  18   8.014  11.492  -2.944
  136    HB3  PRO  18           HB3      PRO  18   7.855  12.672  -4.249
  137    HG2  PRO  18           HG2      PRO  18   6.390  12.884  -2.033
  138    HG3  PRO  18           HG3      PRO  18   5.716  13.281  -3.624
  139    HD2  PRO  18           HD2      PRO  18   5.285  10.856  -1.934
  140    HD3  PRO  18           HD3      PRO  18   4.138  11.730  -2.970
  141    H    PHE  19           H        PHE  19   8.652  10.401  -6.231
  142    HA   PHE  19           HA       PHE  19   8.770   7.607  -6.072
  143    HB2  PHE  19           HB2      PHE  19   9.554   9.171  -7.947
  144    HB3  PHE  19           HB3      PHE  19  11.043   9.337  -7.021
  145    HD1  PHE  19           HD1      PHE  19   8.774   6.659  -8.217
  146    HD2  PHE  19           HD2      PHE  19  12.773   7.947  -7.587
  147    HE1  PHE  19           HE1      PHE  19   9.599   4.571  -9.240
  148    HE2  PHE  19           HE2      PHE  19  13.615   5.867  -8.604
  149    HZ   PHE  19           HZ       PHE  19  12.024   4.177  -9.433
  150    H    PHE  20           H        PHE  20  10.507  10.098  -4.352
  151    HA   PHE  20           HA       PHE  20  12.658   8.541  -3.420
  152    HB2  PHE  20           HB2      PHE  20  11.409  10.926  -2.048
  153    HB3  PHE  20           HB3      PHE  20  13.048  10.322  -1.833
  154    HD1  PHE  20           HD2      PHE  20  14.600  10.374  -3.863
  155    HD2  PHE  20           HD1      PHE  20  10.938  12.528  -3.650
  156    HE1  PHE  20           HE2      PHE  20  15.373  11.859  -5.665
  157    HE2  PHE  20           HE1      PHE  20  11.705  14.015  -5.455
  158    HZ   PHE  20           HZ       PHE  20  13.928  13.684  -6.464
  159    H    VAL  21           H        VAL  21   9.388   9.014  -2.229
  160    HA   VAL  21           HA       VAL  21  10.020   7.298   0.084
  161    HB   VAL  21           HB       VAL  21   8.026   8.238   1.178
  162   HG11  VAL  21          HG11      VAL  21  10.200   9.251   1.577
  163   HG12  VAL  21          HG12      VAL  21   8.933  10.477   1.596
  164   HG13  VAL  21          HG13      VAL  21   9.977  10.312   0.184
  165   HG21  VAL  21          HG21      VAL  21   7.877  10.042  -1.238
  166   HG22  VAL  21          HG22      VAL  21   6.909  10.203   0.227
  167   HG23  VAL  21          HG23      VAL  21   6.716   8.787  -0.807
  168    H    ARG  22           H        ARG  22   9.035   6.820  -2.848
  169    HA   ARG  22           HA       ARG  22   6.449   5.735  -2.715
  170    HB2  ARG  22           HB2      ARG  22   7.586   6.328  -4.822
  171    HB3  ARG  22           HB3      ARG  22   8.715   5.004  -4.581
  172    HG2  ARG  22           HG2      ARG  22   7.161   4.198  -6.122
  173    HG3  ARG  22           HG3      ARG  22   6.682   3.482  -4.583
  174    HD2  ARG  22           HD2      ARG  22   4.734   4.270  -5.778
  175    HD3  ARG  22           HD3      ARG  22   4.983   5.221  -4.315
  176    HE   ARG  22           HE       ARG  22   5.437   7.077  -5.603
  177   HH11  ARG  22          HH11      ARG  22   5.246   4.241  -7.647
  178   HH12  ARG  22          HH12      ARG  22   5.194   5.147  -9.128
  179   HH21  ARG  22          HH21      ARG  22   5.351   8.274  -7.527
  180   HH22  ARG  22          HH22      ARG  22   5.254   7.455  -9.062
  181    H    LYS  23           H        LYS  23   9.640   4.195  -2.508
  182    HA   LYS  23           HA       LYS  23   8.641   1.564  -2.117
  183    HB2  LYS  23           HB2      LYS  23  10.905   2.024  -2.950
  184    HB3  LYS  23           HB3      LYS  23  11.330   2.760  -1.413
  185    HG2  LYS  23           HG2      LYS  23  10.985   0.594  -0.304
  186    HG3  LYS  23           HG3      LYS  23  10.632  -0.133  -1.875
  187    HD2  LYS  23           HD2      LYS  23  12.864   0.487  -2.662
  188    HD3  LYS  23           HD3      LYS  23  13.211   1.230  -1.099
  189    HE2  LYS  23           HE2      LYS  23  12.894  -0.972  -0.024
  190    HE3  LYS  23           HE3      LYS  23  12.653  -1.692  -1.617
  191    HZ1  LYS  23           HZ1      LYS  23  15.117  -0.316  -0.682
  192    HZ2  LYS  23           HZ2      LYS  23  14.889  -0.982  -2.224
  193    HZ3  LYS  23           HZ3      LYS  23  14.921  -1.992  -0.861
  194    H    LYS  24           H        LYS  24   9.460   4.212   0.001
  195    HA   LYS  24           HA       LYS  24   9.469   2.953   2.480
  196    HB2  LYS  24           HB2      LYS  24  10.042   5.355   2.018
  197    HB3  LYS  24           HB3      LYS  24   8.326   5.683   1.855
  198    HG2  LYS  24           HG2      LYS  24   9.367   4.478   4.381
  199    HG3  LYS  24           HG3      LYS  24   9.553   6.205   4.085
  200    HD2  LYS  24           HD2      LYS  24   7.013   6.136   3.570
  201    HD3  LYS  24           HD3      LYS  24   7.052   4.594   4.426
  202    HE2  LYS  24           HE2      LYS  24   7.951   7.258   5.522
  203    HE3  LYS  24           HE3      LYS  24   6.447   6.434   5.919
  204    HZ1  LYS  24           HZ1      LYS  24   9.158   5.339   6.463
  205    HZ2  LYS  24           HZ2      LYS  24   7.676   4.674   6.954
  206    HZ3  LYS  24           HZ3      LYS  24   8.198   6.147   7.601
  207    H    VAL  25           H        VAL  25   6.751   4.375   0.684
  208    HA   VAL  25           HA       VAL  25   4.813   3.537   2.613
  209    HB   VAL  25           HB       VAL  25   4.381   4.441  -0.240
  210   HG11  VAL  25          HG11      VAL  25   2.462   3.246   0.709
  211   HG12  VAL  25          HG12      VAL  25   2.114   4.959   0.475
  212   HG13  VAL  25          HG13      VAL  25   2.470   4.344   2.090
  213   HG21  VAL  25          HG21      VAL  25   3.900   6.639   0.757
  214   HG22  VAL  25          HG22      VAL  25   5.565   6.132   1.035
  215   HG23  VAL  25          HG23      VAL  25   4.380   6.012   2.336
  216    H    ARG  26           H        ARG  26   5.928   2.311  -0.513
  217    HA   ARG  26           HA       ARG  26   3.970   0.351  -0.906
  218    HB2  ARG  26           HB2      ARG  26   5.941   1.205  -2.437
  219    HB3  ARG  26           HB3      ARG  26   6.804  -0.155  -1.735
  220    HG2  ARG  26           HG2      ARG  26   5.054  -1.675  -2.540
  221    HG3  ARG  26           HG3      ARG  26   4.218  -0.302  -3.272
  222    HD2  ARG  26           HD2      ARG  26   6.498   0.116  -4.452
  223    HD3  ARG  26           HD3      ARG  26   6.818  -1.568  -4.043
  224    HE   ARG  26           HE       ARG  26   4.357  -0.925  -5.492
  225   HH11  ARG  26          HH11      ARG  26   7.512  -2.423  -5.436
  226   HH12  ARG  26          HH12      ARG  26   7.321  -3.188  -6.983
  227   HH21  ARG  26          HH21      ARG  26   4.102  -1.903  -7.550
  228   HH22  ARG  26          HH22      ARG  26   5.389  -2.890  -8.177
  229    H    LYS  27           H        LYS  27   7.152   0.096   0.641
  230    HA   LYS  27           HA       LYS  27   6.843  -2.620   1.433
  231    HB2  LYS  27           HB2      LYS  27   9.031  -1.451   1.140
  232    HB3  LYS  27           HB3      LYS  27   8.687  -0.525   2.594
  233    HG2  LYS  27           HG2      LYS  27   8.691  -2.551   3.923
  234    HG3  LYS  27           HG3      LYS  27   8.938  -3.525   2.474
  235    HD2  LYS  27           HD2      LYS  27  11.050  -3.276   3.567
  236    HD3  LYS  27           HD3      LYS  27  11.078  -2.298   2.098
  237    HE2  LYS  27           HE2      LYS  27  12.072  -1.038   3.883
  238    HE3  LYS  27           HE3      LYS  27  10.518  -0.312   3.481
  239    HZ1  LYS  27           HZ1      LYS  27  10.924  -0.512   5.890
  240    HZ2  LYS  27           HZ2      LYS  27  10.958  -2.197   5.736
  241    HZ3  LYS  27           HZ3      LYS  27   9.531  -1.343   5.395
  242    H    ASN  28           H        ASN  28   5.886   0.416   2.811
  243    HA   ASN  28           HA       ASN  28   5.769  -0.475   5.530
  244    HB2  ASN  28           HB2      ASN  28   6.101   1.895   4.942
  245    HB3  ASN  28           HB3      ASN  28   4.511   1.937   4.199
  246   HD21  ASN  28          HD21      ASN  28   4.160   3.713   5.620
  247   HD22  ASN  28          HD22      ASN  28   3.682   3.430   7.258
  248    H    THR  29           H        THR  29   3.424   0.067   2.945
  249    HA   THR  29           HA       THR  29   1.177  -0.892   4.404
  250    HB   THR  29           HB       THR  29   1.357  -1.151   1.457
  251    HG1  THR  29           HG1      THR  29   2.169   0.868   1.539
  252   HG21  THR  29          HG21      THR  29  -0.771  -0.165   3.330
  253   HG22  THR  29          HG22      THR  29  -0.706  -1.750   2.563
  254   HG23  THR  29          HG23      THR  29  -0.943  -0.304   1.583
  255    H    ASP  30           H        ASP  30   3.636  -2.348   2.358
  256    HA   ASP  30           HA       ASP  30   2.588  -4.916   2.072
  257    HB2  ASP  30           HB2      ASP  30   4.589  -4.347   0.883
  258    HB3  ASP  30           HB3      ASP  30   5.437  -3.945   2.373
  259    H    ASN  31           H        ASN  31   4.768  -3.662   4.577
  260    HA   ASN  31           HA       ASN  31   4.596  -5.901   6.288
  261    HB2  ASN  31           HB2      ASN  31   5.344  -3.018   6.760
  262    HB3  ASN  31           HB3      ASN  31   5.314  -4.189   8.071
  263   HD21  ASN  31          HD21      ASN  31   6.286  -5.052   4.812
  264   HD22  ASN  31          HD22      ASN  31   7.964  -5.278   5.181
  265    H    TYR  32           H        TYR  32   2.510  -3.173   5.738
  266    HA   TYR  32           HA       TYR  32   1.056  -3.386   8.194
  267    HB2  TYR  32           HB2      TYR  32   1.031  -1.284   7.005
  268    HB3  TYR  32           HB3      TYR  32   0.393  -2.045   5.551
  269    HD1  TYR  32           HD1      TYR  32  -0.422  -1.173   9.061
  270    HD2  TYR  32           HD2      TYR  32  -1.926  -2.290   5.241
  271    HE1  TYR  32           HE1      TYR  32  -2.706  -0.700   9.831
  272    HE2  TYR  32           HE2      TYR  32  -4.218  -1.822   6.004
  273    HH   TYR  32           HH       TYR  32  -5.462  -1.697   8.113
  274    H    ALA  33           H        ALA  33   0.539  -4.520   4.894
  275    HA   ALA  33           HA       ALA  33  -1.987  -5.683   5.356
  276    HB1  ALA  33           HB1      ALA  33   0.038  -6.353   3.231
  277    HB2  ALA  33           HB2      ALA  33  -1.169  -5.072   3.134
  278    HB3  ALA  33           HB3      ALA  33  -1.677  -6.759   3.205
  279    H    ARG  34           H        ARG  34   1.304  -6.959   5.593
  280    HA   ARG  34           HA       ARG  34   0.592  -9.656   6.038
  281    HB2  ARG  34           HB2      ARG  34   2.983  -8.188   7.174
  282    HB3  ARG  34           HB3      ARG  34   2.812  -9.930   6.994
  283    HG2  ARG  34           HG2      ARG  34   2.673  -9.635   4.565
  284    HG3  ARG  34           HG3      ARG  34   2.941  -7.908   4.783
  285    HD2  ARG  34           HD2      ARG  34   5.099  -8.508   5.938
  286    HD3  ARG  34           HD3      ARG  34   4.832 -10.167   5.397
  287    HE   ARG  34           HE       ARG  34   5.288  -7.833   3.645
  288   HH11  ARG  34          HH11      ARG  34   5.299 -11.312   4.169
  289   HH12  ARG  34          HH12      ARG  34   5.924 -11.657   2.590
  290   HH21  ARG  34          HH21      ARG  34   6.062  -8.298   1.579
  291   HH22  ARG  34          HH22      ARG  34   6.344  -9.956   1.108
  292    H    GLU  35           H        GLU  35   0.648  -6.843   8.076
  293    HA   GLU  35           HA       GLU  35   0.526  -8.268  10.533
  294    HB2  GLU  35           HB2      GLU  35   1.420  -5.970  10.364
  295    HB3  GLU  35           HB3      GLU  35  -0.187  -5.389   9.952
  296    HG2  GLU  35           HG2      GLU  35  -1.010  -6.097  12.136
  297    HG3  GLU  35           HG3      GLU  35   0.595  -6.700  12.548
  298    H    ILE  36           H        ILE  36  -1.860  -6.770   8.390
  299    HA   ILE  36           HA       ILE  36  -4.039  -7.399  10.189
  300    HB   ILE  36           HB       ILE  36  -5.516  -6.509   8.440
  301   HG12  ILE  36          HG12      ILE  36  -2.965  -6.075   6.869
  302   HG13  ILE  36          HG13      ILE  36  -4.211  -7.255   6.479
  303   HG21  ILE  36          HG21      ILE  36  -4.718  -4.193   8.519
  304   HG22  ILE  36          HG22      ILE  36  -3.131  -4.763   9.036
  305   HG23  ILE  36          HG23      ILE  36  -4.535  -4.998  10.078
  306   HD11  ILE  36          HD11      ILE  36  -4.378  -5.289   5.068
  307   HD12  ILE  36          HD12      ILE  36  -4.548  -4.265   6.493
  308   HD13  ILE  36          HD13      ILE  36  -5.799  -5.444   6.101
  309    H    GLY  37           H        GLY  37  -2.381  -8.952   7.623
  310    HA2  GLY  37           HA2      GLY  37  -2.578 -11.275   7.226
  311    HA3  GLY  37           HA3      GLY  37  -4.202 -11.226   7.890
  312    H    GLU  38           H        GLU  38  -2.641  -9.351   5.311
  313    HA   GLU  38           HA       GLU  38  -4.549 -10.469   3.381
  314    HB2  GLU  38           HB2      GLU  38  -5.425  -8.303   4.129
  315    HB3  GLU  38           HB3      GLU  38  -3.889  -7.538   3.756
  316    HG2  GLU  38           HG2      GLU  38  -5.359  -7.008   1.995
  317    HG3  GLU  38           HG3      GLU  38  -4.241  -8.222   1.375
  318    HA   PRO  39           HA       PRO  39  -0.514 -10.712   1.364
  319    HB2  PRO  39           HB2      PRO  39  -1.165 -12.620  -0.416
  320    HB3  PRO  39           HB3      PRO  39  -0.862 -12.985   1.285
  321    HG2  PRO  39           HG2      PRO  39  -3.458 -12.716  -0.166
  322    HG3  PRO  39           HG3      PRO  39  -2.991 -13.877   1.090
  323    HD2  PRO  39           HD2      PRO  39  -4.492 -11.606   1.534
  324    HD3  PRO  39           HD3      PRO  39  -3.545 -12.445   2.776
  325    H    VAL  40           H        VAL  40  -3.597  -9.892   0.041
  326    HA   VAL  40           HA       VAL  40  -2.319  -8.924  -2.435
  327    HB   VAL  40           HB       VAL  40  -5.255  -9.515  -2.004
  328   HG11  VAL  40          HG11      VAL  40  -5.394  -9.317  -4.454
  329   HG12  VAL  40          HG12      VAL  40  -3.695  -8.851  -4.499
  330   HG13  VAL  40          HG13      VAL  40  -4.872  -7.816  -3.692
  331   HG21  VAL  40          HG21      VAL  40  -3.208 -11.145  -3.505
  332   HG22  VAL  40          HG22      VAL  40  -4.930 -11.499  -3.364
  333   HG23  VAL  40          HG23      VAL  40  -3.894 -11.564  -1.937
  334    H    VAL  41           H        VAL  41  -1.830  -6.846  -2.143
  335    HA   VAL  41           HA       VAL  41  -3.372  -5.159  -0.388
  336    HB   VAL  41           HB       VAL  41  -1.089  -4.378  -2.214
  337   HG11  VAL  41          HG11      VAL  41  -2.297  -2.997   0.181
  338   HG12  VAL  41          HG12      VAL  41  -2.410  -2.474  -1.502
  339   HG13  VAL  41          HG13      VAL  41  -0.849  -2.470  -0.680
  340   HG21  VAL  41          HG21      VAL  41  -1.043  -5.207   0.686
  341   HG22  VAL  41          HG22      VAL  41   0.326  -4.550  -0.209
  342   HG23  VAL  41          HG23      VAL  41  -0.364  -6.106  -0.673
  343    H    THR  42           H        THR  42  -5.367  -4.789  -1.209
  344    HA   THR  42           HA       THR  42  -5.639  -3.771  -3.923
  345    HB   THR  42           HB       THR  42  -8.123  -3.760  -3.298
  346    HG1  THR  42           HG1      THR  42  -7.586  -5.650  -1.321
  347   HG21  THR  42          HG21      THR  42  -6.623  -6.383  -3.277
  348   HG22  THR  42          HG22      THR  42  -7.128  -5.484  -4.707
  349   HG23  THR  42          HG23      THR  42  -8.340  -6.182  -3.634
  350    H    ALA  43           H        ALA  43  -7.654  -1.995  -3.795
  351    HA   ALA  43           HA       ALA  43  -6.347   0.379  -3.065
  352    HB1  ALA  43           HB1      ALA  43  -8.464   1.496  -3.603
  353    HB2  ALA  43           HB2      ALA  43  -9.271  -0.073  -3.650
  354    HB3  ALA  43           HB3      ALA  43  -8.016   0.309  -4.829
  355    H    ASP  44           H        ASP  44  -9.051  -1.344  -1.526
  356    HA   ASP  44           HA       ASP  44  -9.433   0.538   0.541
  357    HB2  ASP  44           HB2      ASP  44 -11.108  -1.193  -0.101
  358    HB3  ASP  44           HB3      ASP  44 -10.074  -2.421   0.627
  359    H    VAL  45           H        VAL  45  -7.415  -2.338   0.299
  360    HA   VAL  45           HA       VAL  45  -6.556  -2.404   2.987
  361    HB   VAL  45           HB       VAL  45  -5.140  -3.395   0.503
  362   HG11  VAL  45          HG11      VAL  45  -3.854  -4.822   1.997
  363   HG12  VAL  45          HG12      VAL  45  -4.654  -4.100   3.394
  364   HG13  VAL  45          HG13      VAL  45  -3.592  -3.121   2.380
  365   HG21  VAL  45          HG21      VAL  45  -7.324  -4.420   0.812
  366   HG22  VAL  45          HG22      VAL  45  -6.919  -4.817   2.482
  367   HG23  VAL  45          HG23      VAL  45  -6.043  -5.584   1.158
  368    H    PHE  46           H        PHE  46  -5.276  -0.777   0.111
  369    HA   PHE  46           HA       PHE  46  -2.972   0.282   1.371
  370    HB2  PHE  46           HB2      PHE  46  -3.132   0.157  -1.057
  371    HB3  PHE  46           HB3      PHE  46  -4.502   1.261  -1.052
  372    HD1  PHE  46           HD1      PHE  46  -1.016   1.184   0.301
  373    HD2  PHE  46           HD2      PHE  46  -4.049   3.408  -1.691
  374    HE1  PHE  46           HE1      PHE  46   0.526   3.087   0.086
  375    HE2  PHE  46           HE2      PHE  46  -2.507   5.316  -1.910
  376    HZ   PHE  46           HZ       PHE  46  -0.218   5.155  -1.017
  377    H    ARG  47           H        ARG  47  -6.257   1.524   0.900
  378    HA   ARG  47           HA       ARG  47  -5.720   4.065   2.040
  379    HB2  ARG  47           HB2      ARG  47  -7.694   3.577   0.584
  380    HB3  ARG  47           HB3      ARG  47  -8.403   2.677   1.920
  381    HG2  ARG  47           HG2      ARG  47  -8.562   4.638   3.262
  382    HG3  ARG  47           HG3      ARG  47  -7.604   5.570   2.112
  383    HD2  ARG  47           HD2      ARG  47  -9.402   5.276   0.439
  384    HD3  ARG  47           HD3      ARG  47 -10.364   4.435   1.654
  385    HE   ARG  47           HE       ARG  47  -9.819   6.761   2.884
  386   HH11  ARG  47          HH11      ARG  47 -11.088   6.041  -0.311
  387   HH12  ARG  47          HH12      ARG  47 -11.950   7.545  -0.438
  388   HH21  ARG  47          HH21      ARG  47 -10.970   8.731   2.708
  389   HH22  ARG  47          HH22      ARG  47 -11.892   9.056   1.274
  390    H    LYS  48           H        LYS  48  -6.659   0.959   3.396
  391    HA   LYS  48           HA       LYS  48  -7.240   1.688   6.013
  392    HB2  LYS  48           HB2      LYS  48  -5.765  -0.701   4.917
  393    HB3  LYS  48           HB3      LYS  48  -6.090  -0.516   6.633
  394    HG2  LYS  48           HG2      LYS  48  -8.493  -0.492   6.158
  395    HG3  LYS  48           HG3      LYS  48  -8.143  -0.715   4.439
  396    HD2  LYS  48           HD2      LYS  48  -7.074  -2.834   4.886
  397    HD3  LYS  48           HD3      LYS  48  -7.267  -2.602   6.624
  398    HE2  LYS  48           HE2      LYS  48  -9.494  -2.911   4.612
  399    HE3  LYS  48           HE3      LYS  48  -8.934  -4.152   5.734
  400    HZ1  LYS  48           HZ1      LYS  48  -9.498  -2.445   7.532
  401    HZ2  LYS  48           HZ2      LYS  48 -10.783  -3.240   6.765
  402    HZ3  LYS  48           HZ3      LYS  48 -10.391  -1.651   6.323
  403    H    ALA  49           H        ALA  49  -4.089   1.056   4.520
  404    HA   ALA  49           HA       ALA  49  -2.518   1.564   6.790
  405    HB1  ALA  49           HB1      ALA  49  -1.670   0.422   4.799
  406    HB2  ALA  49           HB2      ALA  49  -0.653   1.792   5.247
  407    HB3  ALA  49           HB3      ALA  49  -1.776   1.931   3.893
  408    H    LYS  50           H        LYS  50  -3.598   3.689   4.167
  409    HA   LYS  50           HA       LYS  50  -2.189   5.974   5.083
  410    HB2  LYS  50           HB2      LYS  50  -4.656   5.783   3.334
  411    HB3  LYS  50           HB3      LYS  50  -3.699   7.239   3.564
  412    HG2  LYS  50           HG2      LYS  50  -2.294   4.808   2.618
  413    HG3  LYS  50           HG3      LYS  50  -3.370   5.625   1.490
  414    HD2  LYS  50           HD2      LYS  50  -1.100   6.434   1.217
  415    HD3  LYS  50           HD3      LYS  50  -2.127   7.719   1.843
  416    HE2  LYS  50           HE2      LYS  50  -0.563   6.020   3.737
  417    HE3  LYS  50           HE3      LYS  50   0.255   7.303   2.849
  418    HZ1  LYS  50           HZ1      LYS  50  -0.607   7.951   5.085
  419    HZ2  LYS  50           HZ2      LYS  50  -2.177   7.751   4.490
  420    HZ3  LYS  50           HZ3      LYS  50  -1.163   8.921   3.815
  421    H    GLU  51           H        GLU  51  -5.293   4.613   5.876
  422    HA   GLU  51           HA       GLU  51  -6.286   6.852   7.343
  423    HB2  GLU  51           HB2      GLU  51  -7.744   5.084   6.445
  424    HB3  GLU  51           HB3      GLU  51  -6.973   3.905   7.494
  425    HG2  GLU  51           HG2      GLU  51  -7.808   5.156   9.449
  426    HG3  GLU  51           HG3      GLU  51  -8.648   6.252   8.352
  427    H    HIS  52           H        HIS  52  -4.340   4.048   8.039
  428    HA   HIS  52           HA       HIS  52  -4.298   4.395  10.884
  429    HB2  HIS  52           HB2      HIS  52  -4.006   2.212   9.648
  430    HB3  HIS  52           HB3      HIS  52  -2.415   2.775   9.159
  431    HD1  HIS  52           HD1      HIS  52  -4.218   1.134  11.891
  432    HD2  HIS  52           HD2      HIS  52  -0.558   3.040  11.365
  433    HE1  HIS  52           HE1      HIS  52  -2.797   0.434  13.847
  434    HE2  HIS  52           HE2      HIS  52  -0.517   1.391  13.357
  435    H    LEU  53           H        LEU  53  -2.287   5.335   8.174
  436    HA   LEU  53           HA       LEU  53  -0.785   7.096   9.952
  437    HB2  LEU  53           HB2      LEU  53   1.244   6.502   8.401
  438    HB3  LEU  53           HB3      LEU  53   0.870   5.569   9.828
  439    HG   LEU  53           HG       LEU  53  -0.546   4.231   7.904
  440   HD11  LEU  53          HD11      LEU  53   0.420   5.500   6.089
  441   HD12  LEU  53          HD12      LEU  53   1.045   3.849   6.067
  442   HD13  LEU  53          HD13      LEU  53   2.047   5.163   6.685
  443   HD21  LEU  53          HD21      LEU  53   0.857   3.350   9.720
  444   HD22  LEU  53          HD22      LEU  53   2.292   3.715   8.757
  445   HD23  LEU  53          HD23      LEU  53   1.123   2.525   8.182
  446    H    GLY  54           H        GLY  54  -1.614   8.986   9.224
  447    HA2  GLY  54           HA2      GLY  54  -2.165   9.577   6.517
  448    HA3  GLY  54           HA3      GLY  54  -1.980  10.755   7.809
  449    H    GLY  55           H        GLY  55   0.474  10.818   8.566
  450    HA2  GLY  55           HA2      GLY  55   2.745  10.914   8.000
  451    HA3  GLY  55           HA3      GLY  55   2.335  10.495   6.344
  452    H    LEU  56           H        LEU  56   0.894  12.269   5.286
  453    HA   LEU  56           HA       LEU  56   2.250  14.837   5.765
  454    HB2  LEU  56           HB2      LEU  56   0.928  13.798   3.259
  455    HB3  LEU  56           HB3      LEU  56   1.684  15.372   3.425
  456    HG   LEU  56           HG       LEU  56   3.106  12.713   3.621
  457   HD11  LEU  56          HD11      LEU  56   3.146  14.811   1.458
  458   HD12  LEU  56          HD12      LEU  56   2.379  13.228   1.352
  459   HD13  LEU  56          HD13      LEU  56   4.132  13.349   1.503
  460   HD21  LEU  56          HD21      LEU  56   4.145  14.405   5.037
  461   HD22  LEU  56          HD22      LEU  56   4.193  15.528   3.679
  462   HD23  LEU  56          HD23      LEU  56   5.157  14.052   3.636
  463    H    GLU  57           H        GLU  57  -0.846  13.538   4.611
  464    HA   GLU  57           HA       GLU  57  -2.996  14.091   5.005
  465    HB2  GLU  57           HB2      GLU  57  -1.755  15.408   7.409
  466    HB3  GLU  57           HB3      GLU  57  -3.490  15.384   7.131
  467    HG2  GLU  57           HG2      GLU  57  -3.380  12.904   7.065
  468    HG3  GLU  57           HG3      GLU  57  -1.681  13.017   7.520
  469    H    HIS  58           H        HIS  58  -1.256  15.902   3.378
  470    HA   HIS  58           HA       HIS  58  -2.537  18.466   3.729
  471    HB2  HIS  58           HB2      HIS  58  -1.343  19.190   1.729
  472    HB3  HIS  58           HB3      HIS  58  -0.241  18.391   2.839
  473    HD1  HIS  58           HD1      HIS  58  -1.625  18.204  -0.589
  474    HD2  HIS  58           HD2      HIS  58   0.746  15.891   1.924
  475    HE1  HIS  58           HE1      HIS  58  -0.525  16.498  -2.074
  476    HE2  HIS  58           HE2      HIS  58   1.144  15.359  -0.575
  477    H    HIS  59           H        HIS  59  -4.095  19.371   2.335
  478    HA   HIS  59           HA       HIS  59  -6.164  17.515   1.897
  479    HB2  HIS  59           HB2      HIS  59  -7.478  19.430   1.049
  480    HB3  HIS  59           HB3      HIS  59  -6.695  19.763   2.587
  481    HD1  HIS  59           HD1      HIS  59  -5.484  21.906   2.715
  482    HD2  HIS  59           HD2      HIS  59  -5.966  20.636  -1.212
  483    HE1  HIS  59           HE1      HIS  59  -4.604  23.780   1.282
  484    HE2  HIS  59           HE2      HIS  59  -5.076  23.063  -1.093
  485    H    HIS  60           H        HIS  60  -7.231  16.830   0.084
  486    HA   HIS  60           HA       HIS  60  -6.306  17.564  -2.547
  487    HB2  HIS  60           HB2      HIS  60  -4.722  15.755  -1.833
  488    HB3  HIS  60           HB3      HIS  60  -6.098  14.669  -1.686
  489    HD1  HIS  60           HD1      HIS  60  -3.676  15.975  -4.084
  490    HD2  HIS  60           HD2      HIS  60  -7.407  14.146  -4.243
  491    HE1  HIS  60           HE1      HIS  60  -3.932  15.159  -6.447
  492    HE2  HIS  60           HE2      HIS  60  -6.297  14.298  -6.575
  493    H    HIS  61           H        HIS  61  -8.446  18.293  -2.746
  494    HA   HIS  61           HA       HIS  61 -10.466  16.155  -2.930
  495    HB2  HIS  61           HB2      HIS  61 -10.722  19.061  -2.210
  496    HB3  HIS  61           HB3      HIS  61 -12.105  18.146  -2.794
  497    HD1  HIS  61           HD1      HIS  61 -13.479  17.199  -1.005
  498    HD2  HIS  61           HD2      HIS  61  -9.512  17.625   0.169
  499    HE1  HIS  61           HE1      HIS  61 -13.399  16.458   1.398
  500    HE2  HIS  61           HE2      HIS  61 -11.032  16.903   2.134
  501    H    HIS  62           H        HIS  62 -11.207  15.669  -4.850
  502    HA   HIS  62           HA       HIS  62 -11.859  15.754  -7.008
  503    HB2  HIS  62           HB2      HIS  62 -11.794  18.720  -6.479
  504    HB3  HIS  62           HB3      HIS  62 -12.243  18.057  -8.047
  505    HD1  HIS  62           HD1      HIS  62 -13.660  19.001  -4.848
  506    HD2  HIS  62           HD2      HIS  62 -14.565  16.233  -7.822
  507    HE1  HIS  62           HE1      HIS  62 -16.051  18.341  -4.457
  508    HE2  HIS  62           HE2      HIS  62 -16.509  16.523  -6.139
  509    H    HIS  63           H        HIS  63 -10.562  14.985  -8.456
  510    HA   HIS  63           HA       HIS  63  -8.868  14.697  -9.932
  511    HB2  HIS  63           HB2      HIS  63  -8.425  17.670  -9.569
  512    HB3  HIS  63           HB3      HIS  63  -7.593  16.674 -10.755
  513    HD1  HIS  63           HD1      HIS  63  -8.929  15.916 -12.829
  514    HD2  HIS  63           HD2      HIS  63 -11.083  18.311 -10.191
  515    HE1  HIS  63           HE1      HIS  63 -10.988  16.639 -14.086
  516    HE2  HIS  63           HE2      HIS  63 -12.359  17.929 -12.409
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1  -1.423 -17.467   0.098
    2    H2   MET   1           H2       MET   1  -0.315 -18.550  -0.593
    3    H3   MET   1           H3       MET   1  -0.808 -17.175  -1.456
    4    HA   MET   1           HA       MET   1   0.222 -15.751   0.196
    5    HB2  MET   1           HB2      MET   1   1.102 -18.401   1.350
    6    HB3  MET   1           HB3      MET   1   1.861 -16.869   1.760
    7    HG2  MET   1           HG2      MET   1  -0.289 -16.052   2.609
    8    HG3  MET   1           HG3      MET   1  -1.016 -17.612   2.236
    9    HE1  MET   1           HE1      MET   1  -0.419 -19.865   3.474
   10    HE2  MET   1           HE2      MET   1   0.841 -20.008   4.696
   11    HE3  MET   1           HE3      MET   1   1.275 -19.654   3.023
   12    H    GLY   2           H        GLY   2   2.620 -15.340   0.201
   13    HA2  GLY   2           HA2      GLY   2   4.729 -16.228  -0.923
   14    HA3  GLY   2           HA3      GLY   2   3.707 -16.367  -2.350
   15    H    GLU   3           H        GLU   3   4.528 -14.005   0.141
   16    HA   GLU   3           HA       GLU   3   4.885 -11.782   0.140
   17    HB2  GLU   3           HB2      GLU   3   5.486 -12.187  -2.794
   18    HB3  GLU   3           HB3      GLU   3   5.754 -10.685  -1.923
   19    HG2  GLU   3           HG2      GLU   3   7.126 -13.326  -1.502
   20    HG3  GLU   3           HG3      GLU   3   7.836 -11.813  -2.060
   21    H    LEU   4           H        LEU   4   4.017  -9.669  -0.737
   22    HA   LEU   4           HA       LEU   4   1.166 -10.102  -0.982
   23    HB2  LEU   4           HB2      LEU   4   2.689  -7.519  -0.718
   24    HB3  LEU   4           HB3      LEU   4   0.959  -7.728  -0.534
   25    HG   LEU   4           HG       LEU   4   3.114  -8.778   1.296
   26   HD11  LEU   4          HD11      LEU   4   0.899  -6.777   1.683
   27   HD12  LEU   4          HD12      LEU   4   2.622  -6.423   1.565
   28   HD13  LEU   4          HD13      LEU   4   2.004  -7.342   2.937
   29   HD21  LEU   4          HD21      LEU   4   1.305  -9.677   2.663
   30   HD22  LEU   4          HD22      LEU   4   1.334 -10.432   1.069
   31   HD23  LEU   4          HD23      LEU   4   0.131  -9.196   1.437
   32    H    SER   5           H        SER   5  -0.093  -9.552  -2.631
   33    HA   SER   5           HA       SER   5   1.205  -8.793  -5.139
   34    HB2  SER   5           HB2      SER   5  -0.247 -10.792  -5.129
   35    HB3  SER   5           HB3      SER   5  -1.597  -9.801  -4.587
   36    HG   SER   5           HG       SER   5  -1.836  -9.917  -6.750
   37    H    TRP   6           H        TRP   6   1.186  -6.716  -5.682
   38    HA   TRP   6           HA       TRP   6  -0.747  -4.919  -4.459
   39    HB2  TRP   6           HB2      TRP   6   1.820  -4.533  -5.959
   40    HB3  TRP   6           HB3      TRP   6   0.681  -3.199  -5.806
   41    HD1  TRP   6           HD1      TRP   6   2.623  -5.629  -3.469
   42    HE1  TRP   6           HE1      TRP   6   3.145  -4.360  -1.286
   43    HE3  TRP   6           HE3      TRP   6   0.205  -1.237  -4.479
   44    HZ2  TRP   6           HZ2      TRP   6   2.605  -1.834  -0.153
   45    HZ3  TRP   6           HZ3      TRP   6   0.264   0.557  -2.794
   46    HH2  TRP   6           HH2      TRP   6   1.440   0.262  -0.678
   47    H    THR   7           H        THR   7  -2.403  -4.022  -5.495
   48    HA   THR   7           HA       THR   7  -3.009  -5.062  -8.141
   49    HB   THR   7           HB       THR   7  -5.276  -4.034  -7.695
   50    HG1  THR   7           HG1      THR   7  -4.274  -3.756  -5.035
   51   HG21  THR   7          HG21      THR   7  -4.842  -6.403  -7.293
   52   HG22  THR   7          HG22      THR   7  -5.927  -5.752  -6.063
   53   HG23  THR   7          HG23      THR   7  -4.227  -6.030  -5.684
   54    H    ALA   8           H        ALA   8  -4.141  -3.605  -9.690
   55    HA   ALA   8           HA       ALA   8  -2.537  -1.429 -10.435
   56    HB1  ALA   8           HB1      ALA   8  -5.380  -1.981 -11.278
   57    HB2  ALA   8           HB2      ALA   8  -3.950  -2.731 -11.984
   58    HB3  ALA   8           HB3      ALA   8  -4.197  -0.994 -12.136
   59    H    GLU   9           H        GLU   9  -5.527  -1.607  -8.593
   60    HA   GLU   9           HA       GLU   9  -5.962   1.194  -8.443
   61    HB2  GLU   9           HB2      GLU   9  -6.948  -1.119  -6.799
   62    HB3  GLU   9           HB3      GLU   9  -7.412   0.545  -6.460
   63    HG2  GLU   9           HG2      GLU   9  -7.874  -0.909  -9.057
   64    HG3  GLU   9           HG3      GLU   9  -9.086  -0.615  -7.808
   65    H    ALA  10           H        ALA  10  -4.041  -1.040  -6.572
   66    HA   ALA  10           HA       ALA  10  -3.548   0.753  -4.404
   67    HB1  ALA  10           HB1      ALA  10  -1.825  -0.832  -3.740
   68    HB2  ALA  10           HB2      ALA  10  -1.972  -1.660  -5.290
   69    HB3  ALA  10           HB3      ALA  10  -3.321  -1.669  -4.154
   70    H    GLU  11           H        GLU  11  -1.615  -0.271  -7.227
   71    HA   GLU  11           HA       GLU  11   0.562   1.448  -6.777
   72    HB2  GLU  11           HB2      GLU  11  -0.512   0.271  -9.342
   73    HB3  GLU  11           HB3      GLU  11   1.001   1.157  -9.241
   74    HG2  GLU  11           HG2      GLU  11   0.384  -1.363  -7.716
   75    HG3  GLU  11           HG3      GLU  11   1.283  -1.292  -9.229
   76    H    LYS  12           H        LYS  12  -2.524   1.978  -8.361
   77    HA   LYS  12           HA       LYS  12  -1.898   4.398  -9.651
   78    HB2  LYS  12           HB2      LYS  12  -3.895   3.080 -10.192
   79    HB3  LYS  12           HB3      LYS  12  -4.564   3.435  -8.606
   80    HG2  LYS  12           HG2      LYS  12  -4.721   5.783  -9.153
   81    HG3  LYS  12           HG3      LYS  12  -3.943   5.497 -10.711
   82    HD2  LYS  12           HD2      LYS  12  -5.801   4.099 -11.408
   83    HD3  LYS  12           HD3      LYS  12  -6.568   4.298  -9.831
   84    HE2  LYS  12           HE2      LYS  12  -6.795   6.688 -10.224
   85    HE3  LYS  12           HE3      LYS  12  -5.967   6.527 -11.773
   86    HZ1  LYS  12           HZ1      LYS  12  -8.407   6.628 -11.978
   87    HZ2  LYS  12           HZ2      LYS  12  -8.529   5.186 -11.090
   88    HZ3  LYS  12           HZ3      LYS  12  -7.757   5.187 -12.600
   89    H    MET  13           H        MET  13  -3.319   3.759  -6.453
   90    HA   MET  13           HA       MET  13  -3.446   6.544  -5.773
   91    HB2  MET  13           HB2      MET  13  -3.641   4.077  -4.036
   92    HB3  MET  13           HB3      MET  13  -3.929   5.718  -3.473
   93    HG2  MET  13           HG2      MET  13  -5.772   5.927  -5.085
   94    HG3  MET  13           HG3      MET  13  -5.500   4.256  -5.580
   95    HE1  MET  13           HE1      MET  13  -4.760   2.945  -2.720
   96    HE2  MET  13           HE2      MET  13  -5.766   2.189  -3.955
   97    HE3  MET  13           HE3      MET  13  -6.347   2.306  -2.292
   98    H    LEU  14           H        LEU  14  -1.096   4.003  -5.457
   99    HA   LEU  14           HA       LEU  14   0.689   5.403  -3.731
  100    HB2  LEU  14           HB2      LEU  14   0.770   2.959  -4.097
  101    HB3  LEU  14           HB3      LEU  14   1.255   3.231  -5.758
  102    HG   LEU  14           HG       LEU  14   3.356   4.257  -4.967
  103   HD11  LEU  14          HD11      LEU  14   2.568   5.115  -2.833
  104   HD12  LEU  14          HD12      LEU  14   3.973   4.072  -2.608
  105   HD13  LEU  14          HD13      LEU  14   2.359   3.469  -2.236
  106   HD21  LEU  14          HD21      LEU  14   4.388   2.196  -4.131
  107   HD22  LEU  14          HD22      LEU  14   3.301   1.881  -5.483
  108   HD23  LEU  14          HD23      LEU  14   2.784   1.520  -3.836
  109    H    GLY  15           H        GLY  15  -0.170   5.679  -7.020
  110    HA2  GLY  15           HA2      GLY  15   2.201   6.906  -8.015
  111    HA3  GLY  15           HA3      GLY  15   0.603   6.984  -8.744
  112    H    LYS  16           H        LYS  16  -0.206   7.976  -5.907
  113    HA   LYS  16           HA       LYS  16   0.026  10.770  -6.494
  114    HB2  LYS  16           HB2      LYS  16  -1.991   9.746  -5.469
  115    HB3  LYS  16           HB3      LYS  16  -1.034   9.345  -4.048
  116    HG2  LYS  16           HG2      LYS  16  -0.704  11.641  -3.545
  117    HG3  LYS  16           HG3      LYS  16  -1.456  12.125  -5.062
  118    HD2  LYS  16           HD2      LYS  16  -2.888  10.585  -2.908
  119    HD3  LYS  16           HD3      LYS  16  -2.924  12.345  -3.033
  120    HE2  LYS  16           HE2      LYS  16  -3.894  12.179  -5.261
  121    HE3  LYS  16           HE3      LYS  16  -3.825  10.421  -5.176
  122    HZ1  LYS  16           HZ1      LYS  16  -6.033  11.345  -4.689
  123    HZ2  LYS  16           HZ2      LYS  16  -5.397  12.132  -3.324
  124    HZ3  LYS  16           HZ3      LYS  16  -5.407  10.436  -3.402
  125    H    VAL  17           H        VAL  17   1.859   8.442  -4.901
  126    HA   VAL  17           HA       VAL  17   3.116  10.270  -3.012
  127    HB   VAL  17           HB       VAL  17   3.569   7.325  -3.515
  128   HG11  VAL  17          HG11      VAL  17   4.725   7.346  -1.341
  129   HG12  VAL  17          HG12      VAL  17   4.557   9.100  -1.288
  130   HG13  VAL  17          HG13      VAL  17   5.541   8.348  -2.544
  131   HG21  VAL  17          HG21      VAL  17   1.995   8.718  -1.359
  132   HG22  VAL  17          HG22      VAL  17   2.327   6.988  -1.431
  133   HG23  VAL  17          HG23      VAL  17   1.341   7.747  -2.680
  134    HA   PRO  18           HA       PRO  18   6.458  11.250  -5.832
  135    HB2  PRO  18           HB2      PRO  18   7.978  11.584  -3.303
  136    HB3  PRO  18           HB3      PRO  18   7.762  12.713  -4.644
  137    HG2  PRO  18           HG2      PRO  18   6.479  13.071  -2.332
  138    HG3  PRO  18           HG3      PRO  18   5.697  13.433  -3.884
  139    HD2  PRO  18           HD2      PRO  18   5.318  11.091  -2.069
  140    HD3  PRO  18           HD3      PRO  18   4.122  11.968  -3.044
  141    H    PHE  19           H        PHE  19   8.332  10.300  -6.577
  142    HA   PHE  19           HA       PHE  19   8.399   7.504  -6.096
  143    HB2  PHE  19           HB2      PHE  19   8.908   8.864  -8.264
  144    HB3  PHE  19           HB3      PHE  19  10.544   8.950  -7.615
  145    HD1  PHE  19           HD1      PHE  19   7.882   6.661  -8.690
  146    HD2  PHE  19           HD2      PHE  19  12.001   7.105  -7.748
  147    HE1  PHE  19           HE1      PHE  19   8.322   4.410  -9.593
  148    HE2  PHE  19           HE2      PHE  19  12.459   4.860  -8.644
  149    HZ   PHE  19           HZ       PHE  19  10.615   3.507  -9.567
  150    H    PHE  20           H        PHE  20  10.122  10.146  -4.759
  151    HA   PHE  20           HA       PHE  20  12.565   8.974  -4.083
  152    HB2  PHE  20           HB2      PHE  20  11.062  10.980  -2.391
  153    HB3  PHE  20           HB3      PHE  20  12.803  10.724  -2.447
  154    HD1  PHE  20           HD2      PHE  20  13.969  11.168  -4.703
  155    HD2  PHE  20           HD1      PHE  20  10.082  12.593  -3.718
  156    HE1  PHE  20           HE2      PHE  20  14.158  12.889  -6.450
  157    HE2  PHE  20           HE1      PHE  20  10.267  14.316  -5.464
  158    HZ   PHE  20           HZ       PHE  20  12.309  14.466  -6.831
  159    H    VAL  21           H        VAL  21   9.421   8.796  -2.528
  160    HA   VAL  21           HA       VAL  21  10.570   6.996  -0.495
  161    HB   VAL  21           HB       VAL  21   8.799   7.749   1.054
  162   HG11  VAL  21          HG11      VAL  21  10.519   9.977  -0.033
  163   HG12  VAL  21          HG12      VAL  21  11.007   8.774   1.160
  164   HG13  VAL  21          HG13      VAL  21   9.754   9.948   1.555
  165   HG21  VAL  21          HG21      VAL  21   7.128   8.468  -0.552
  166   HG22  VAL  21          HG22      VAL  21   8.182   9.771  -1.102
  167   HG23  VAL  21          HG23      VAL  21   7.529   9.797   0.537
  168    H    ARG  22           H        ARG  22   9.210   6.571  -3.192
  169    HA   ARG  22           HA       ARG  22   6.602   5.607  -2.758
  170    HB2  ARG  22           HB2      ARG  22   7.793   6.162  -4.998
  171    HB3  ARG  22           HB3      ARG  22   8.386   4.507  -4.915
  172    HG2  ARG  22           HG2      ARG  22   6.030   3.734  -4.741
  173    HG3  ARG  22           HG3      ARG  22   5.515   5.401  -5.011
  174    HD2  ARG  22           HD2      ARG  22   6.958   5.281  -7.135
  175    HD3  ARG  22           HD3      ARG  22   6.923   3.534  -6.891
  176    HE   ARG  22           HE       ARG  22   4.583   5.249  -7.417
  177   HH11  ARG  22          HH11      ARG  22   6.083   2.073  -7.362
  178   HH12  ARG  22          HH12      ARG  22   4.737   1.285  -8.133
  179   HH21  ARG  22          HH21      ARG  22   2.836   4.205  -8.474
  180   HH22  ARG  22          HH22      ARG  22   2.907   2.496  -8.762
  181    H    LYS  23           H        LYS  23   9.757   4.019  -2.682
  182    HA   LYS  23           HA       LYS  23   8.713   1.398  -2.266
  183    HB2  LYS  23           HB2      LYS  23  11.440   2.596  -1.804
  184    HB3  LYS  23           HB3      LYS  23  11.072   0.913  -1.455
  185    HG2  LYS  23           HG2      LYS  23  10.876   2.257  -4.139
  186    HG3  LYS  23           HG3      LYS  23  12.125   1.123  -3.622
  187    HD2  LYS  23           HD2      LYS  23   9.177   0.523  -3.916
  188    HD3  LYS  23           HD3      LYS  23  10.460   0.002  -5.009
  189    HE2  LYS  23           HE2      LYS  23  10.261  -0.754  -2.095
  190    HE3  LYS  23           HE3      LYS  23   9.718  -1.765  -3.431
  191    HZ1  LYS  23           HZ1      LYS  23  11.894  -2.445  -2.713
  192    HZ2  LYS  23           HZ2      LYS  23  12.509  -0.876  -2.920
  193    HZ3  LYS  23           HZ3      LYS  23  12.008  -1.774  -4.268
  194    H    LYS  24           H        LYS  24   9.742   4.007  -0.160
  195    HA   LYS  24           HA       LYS  24   9.675   2.651   2.285
  196    HB2  LYS  24           HB2      LYS  24  10.623   4.889   2.050
  197    HB3  LYS  24           HB3      LYS  24   9.034   5.544   1.680
  198    HG2  LYS  24           HG2      LYS  24   8.262   4.966   3.917
  199    HG3  LYS  24           HG3      LYS  24   9.844   4.278   4.289
  200    HD2  LYS  24           HD2      LYS  24  10.873   6.476   3.930
  201    HD3  LYS  24           HD3      LYS  24   9.281   7.158   3.587
  202    HE2  LYS  24           HE2      LYS  24  10.002   7.603   5.895
  203    HE3  LYS  24           HE3      LYS  24   8.536   6.624   5.830
  204    HZ1  LYS  24           HZ1      LYS  24  11.257   5.496   6.185
  205    HZ2  LYS  24           HZ2      LYS  24   9.780   4.674   6.336
  206    HZ3  LYS  24           HZ3      LYS  24  10.211   5.862   7.468
  207    H    VAL  25           H        VAL  25   7.129   4.482   0.606
  208    HA   VAL  25           HA       VAL  25   5.112   4.000   2.522
  209    HB   VAL  25           HB       VAL  25   4.790   4.567  -0.433
  210   HG11  VAL  25          HG11      VAL  25   2.761   3.628   0.572
  211   HG12  VAL  25          HG12      VAL  25   2.543   5.325   0.145
  212   HG13  VAL  25          HG13      VAL  25   2.811   4.866   1.826
  213   HG21  VAL  25          HG21      VAL  25   4.817   6.424   1.946
  214   HG22  VAL  25          HG22      VAL  25   4.459   6.894   0.284
  215   HG23  VAL  25          HG23      VAL  25   6.064   6.300   0.707
  216    H    ARG  26           H        ARG  26   6.032   2.263  -0.440
  217    HA   ARG  26           HA       ARG  26   4.018   0.325  -0.425
  218    HB2  ARG  26           HB2      ARG  26   5.607   0.547  -2.292
  219    HB3  ARG  26           HB3      ARG  26   6.913  -0.018  -1.254
  220    HG2  ARG  26           HG2      ARG  26   5.666  -2.153  -0.966
  221    HG3  ARG  26           HG3      ARG  26   4.511  -1.582  -2.167
  222    HD2  ARG  26           HD2      ARG  26   7.455  -2.060  -2.587
  223    HD3  ARG  26           HD3      ARG  26   6.138  -3.066  -3.182
  224    HE   ARG  26           HE       ARG  26   7.213  -0.830  -4.466
  225   HH11  ARG  26          HH11      ARG  26   4.051  -2.150  -3.714
  226   HH12  ARG  26          HH12      ARG  26   3.296  -1.464  -5.126
  227   HH21  ARG  26          HH21      ARG  26   6.218   0.028  -6.328
  228   HH22  ARG  26          HH22      ARG  26   4.516  -0.257  -6.602
  229    H    LYS  27           H        LYS  27   7.157   0.376   1.169
  230    HA   LYS  27           HA       LYS  27   7.061  -2.153   2.366
  231    HB2  LYS  27           HB2      LYS  27   9.108  -0.860   2.150
  232    HB3  LYS  27           HB3      LYS  27   8.470   0.381   3.214
  233    HG2  LYS  27           HG2      LYS  27   8.637  -1.021   5.107
  234    HG3  LYS  27           HG3      LYS  27   8.913  -2.453   4.111
  235    HD2  LYS  27           HD2      LYS  27  10.980  -1.589   5.174
  236    HD3  LYS  27           HD3      LYS  27  11.062  -1.612   3.412
  237    HE2  LYS  27           HE2      LYS  27  10.317   0.824   3.515
  238    HE3  LYS  27           HE3      LYS  27  10.688   0.747   5.237
  239    HZ1  LYS  27           HZ1      LYS  27  12.956   0.207   4.733
  240    HZ2  LYS  27           HZ2      LYS  27  12.531   1.604   3.866
  241    HZ3  LYS  27           HZ3      LYS  27  12.616   0.111   3.072
  242    H    ASN  28           H        ASN  28   5.643   0.907   3.313
  243    HA   ASN  28           HA       ASN  28   5.086   0.200   6.011
  244    HB2  ASN  28           HB2      ASN  28   3.804   2.244   4.184
  245    HB3  ASN  28           HB3      ASN  28   3.415   2.074   5.891
  246   HD21  ASN  28          HD21      ASN  28   4.489   4.340   4.485
  247   HD22  ASN  28          HD22      ASN  28   5.996   4.726   5.239
  248    H    THR  29           H        THR  29   3.175   0.171   3.026
  249    HA   THR  29           HA       THR  29   0.850  -0.945   4.214
  250    HB   THR  29           HB       THR  29   1.204  -1.549   1.401
  251    HG1  THR  29           HG1      THR  29   1.999   0.310   0.766
  252   HG21  THR  29          HG21      THR  29  -0.709   0.224   2.898
  253   HG22  THR  29          HG22      THR  29  -0.956  -1.482   2.525
  254   HG23  THR  29          HG23      THR  29  -0.885  -0.293   1.224
  255    H    ASP  30           H        ASP  30   3.698  -2.283   2.659
  256    HA   ASP  30           HA       ASP  30   2.827  -4.922   2.310
  257    HB2  ASP  30           HB2      ASP  30   4.997  -3.847   1.478
  258    HB3  ASP  30           HB3      ASP  30   5.644  -4.146   3.086
  259    H    ASN  31           H        ASN  31   4.315  -3.290   5.060
  260    HA   ASN  31           HA       ASN  31   4.165  -5.596   6.754
  261    HB2  ASN  31           HB2      ASN  31   4.857  -2.714   7.205
  262    HB3  ASN  31           HB3      ASN  31   4.593  -3.792   8.573
  263   HD21  ASN  31          HD21      ASN  31   6.629  -3.046   5.857
  264   HD22  ASN  31          HD22      ASN  31   7.954  -4.064   6.319
  265    H    TYR  32           H        TYR  32   2.026  -3.013   5.887
  266    HA   TYR  32           HA       TYR  32   0.294  -3.216   8.147
  267    HB2  TYR  32           HB2      TYR  32   0.219  -1.222   6.769
  268    HB3  TYR  32           HB3      TYR  32  -0.205  -2.170   5.347
  269    HD1  TYR  32           HD1      TYR  32  -1.448  -1.238   8.733
  270    HD2  TYR  32           HD2      TYR  32  -2.448  -2.532   4.805
  271    HE1  TYR  32           HE1      TYR  32  -3.834  -0.950   9.249
  272    HE2  TYR  32           HE2      TYR  32  -4.836  -2.244   5.312
  273    HH   TYR  32           HH       TYR  32  -6.299  -2.199   7.300
  274    H    ALA  33           H        ALA  33   0.073  -4.461   4.824
  275    HA   ALA  33           HA       ALA  33  -2.226  -6.036   5.275
  276    HB1  ALA  33           HB1      ALA  33  -1.660  -7.135   3.170
  277    HB2  ALA  33           HB2      ALA  33  -0.057  -6.403   3.211
  278    HB3  ALA  33           HB3      ALA  33  -1.485  -5.385   3.038
  279    H    ARG  34           H        ARG  34   1.200  -6.614   5.693
  280    HA   ARG  34           HA       ARG  34   1.104  -9.386   6.198
  281    HB2  ARG  34           HB2      ARG  34   3.054  -7.326   6.260
  282    HB3  ARG  34           HB3      ARG  34   3.103  -8.136   7.820
  283    HG2  ARG  34           HG2      ARG  34   4.665  -9.212   6.401
  284    HG3  ARG  34           HG3      ARG  34   3.294 -10.305   6.606
  285    HD2  ARG  34           HD2      ARG  34   2.396  -9.402   4.436
  286    HD3  ARG  34           HD3      ARG  34   3.941  -8.577   4.226
  287    HE   ARG  34           HE       ARG  34   3.759 -11.499   4.533
  288   HH11  ARG  34          HH11      ARG  34   4.954  -8.666   2.839
  289   HH12  ARG  34          HH12      ARG  34   5.907  -9.590   1.722
  290   HH21  ARG  34          HH21      ARG  34   5.020 -12.706   3.098
  291   HH22  ARG  34          HH22      ARG  34   5.998 -11.898   1.902
  292    H    GLU  35           H        GLU  35   0.513  -6.581   8.208
  293    HA   GLU  35           HA       GLU  35   0.502  -7.978  10.691
  294    HB2  GLU  35           HB2      GLU  35   0.935  -5.573  10.573
  295    HB3  GLU  35           HB3      GLU  35  -0.673  -5.299   9.920
  296    HG2  GLU  35           HG2      GLU  35  -1.675  -6.028  12.000
  297    HG3  GLU  35           HG3      GLU  35  -0.081  -6.402  12.656
  298    H    ILE  36           H        ILE  36  -2.048  -6.829   8.495
  299    HA   ILE  36           HA       ILE  36  -4.123  -7.939  10.147
  300    HB   ILE  36           HB       ILE  36  -5.659  -7.292   8.314
  301   HG12  ILE  36          HG12      ILE  36  -3.124  -6.287   6.991
  302   HG13  ILE  36          HG13      ILE  36  -4.143  -7.599   6.407
  303   HG21  ILE  36          HG21      ILE  36  -5.342  -4.871   8.588
  304   HG22  ILE  36          HG22      ILE  36  -3.726  -5.165   9.232
  305   HG23  ILE  36          HG23      ILE  36  -5.144  -5.744  10.107
  306   HD11  ILE  36          HD11      ILE  36  -4.521  -5.543   5.162
  307   HD12  ILE  36          HD12      ILE  36  -4.965  -4.712   6.653
  308   HD13  ILE  36          HD13      ILE  36  -5.970  -6.028   6.044
  309    H    GLY  37           H        GLY  37  -2.152  -9.126   7.582
  310    HA2  GLY  37           HA2      GLY  37  -1.884 -11.438   7.212
  311    HA3  GLY  37           HA3      GLY  37  -3.477 -11.711   7.896
  312    H    GLU  38           H        GLU  38  -3.086  -9.247   5.498
  313    HA   GLU  38           HA       GLU  38  -4.638 -10.886   3.625
  314    HB2  GLU  38           HB2      GLU  38  -4.145  -7.899   3.668
  315    HB3  GLU  38           HB3      GLU  38  -5.139  -8.743   2.491
  316    HG2  GLU  38           HG2      GLU  38  -5.668  -8.608   5.451
  317    HG3  GLU  38           HG3      GLU  38  -6.480  -7.651   4.213
  318    HA   PRO  39           HA       PRO  39  -0.852 -11.206   1.293
  319    HB2  PRO  39           HB2      PRO  39  -1.699 -12.951  -0.546
  320    HB3  PRO  39           HB3      PRO  39  -1.471 -13.428   1.141
  321    HG2  PRO  39           HG2      PRO  39  -3.997 -12.768  -0.317
  322    HG3  PRO  39           HG3      PRO  39  -3.688 -14.051   0.865
  323    HD2  PRO  39           HD2      PRO  39  -4.903 -11.636   1.443
  324    HD3  PRO  39           HD3      PRO  39  -4.089 -12.666   2.636
  325    H    VAL  40           H        VAL  40  -3.716  -9.733   0.247
  326    HA   VAL  40           HA       VAL  40  -2.423  -8.888  -2.261
  327    HB   VAL  40           HB       VAL  40  -5.400  -9.271  -1.847
  328   HG11  VAL  40          HG11      VAL  40  -5.548  -8.853  -4.260
  329   HG12  VAL  40          HG12      VAL  40  -3.814  -8.532  -4.304
  330   HG13  VAL  40          HG13      VAL  40  -4.886  -7.468  -3.393
  331   HG21  VAL  40          HG21      VAL  40  -5.194 -11.139  -3.421
  332   HG22  VAL  40          HG22      VAL  40  -4.247 -11.419  -1.960
  333   HG23  VAL  40          HG23      VAL  40  -3.444 -10.922  -3.450
  334    H    VAL  41           H        VAL  41  -2.056  -6.774  -2.360
  335    HA   VAL  41           HA       VAL  41  -3.384  -5.011  -0.439
  336    HB   VAL  41           HB       VAL  41  -1.086  -4.388  -2.308
  337   HG11  VAL  41          HG11      VAL  41  -2.182  -2.867   0.056
  338   HG12  VAL  41          HG12      VAL  41  -2.364  -2.417  -1.639
  339   HG13  VAL  41          HG13      VAL  41  -0.766  -2.419  -0.892
  340   HG21  VAL  41          HG21      VAL  41  -0.434  -6.085  -0.701
  341   HG22  VAL  41          HG22      VAL  41  -1.064  -5.101   0.622
  342   HG23  VAL  41          HG23      VAL  41   0.329  -4.544  -0.304
  343    H    THR  42           H        THR  42  -5.318  -4.452  -1.206
  344    HA   THR  42           HA       THR  42  -5.593  -3.640  -4.009
  345    HB   THR  42           HB       THR  42  -8.057  -3.732  -3.485
  346    HG1  THR  42           HG1      THR  42  -8.052  -5.310  -1.392
  347   HG21  THR  42          HG21      THR  42  -6.952  -5.604  -4.593
  348   HG22  THR  42          HG22      THR  42  -8.172  -6.192  -3.465
  349   HG23  THR  42          HG23      THR  42  -6.464  -6.259  -3.030
  350    H    ALA  43           H        ALA  43  -7.583  -1.911  -4.064
  351    HA   ALA  43           HA       ALA  43  -6.696   0.538  -3.098
  352    HB1  ALA  43           HB1      ALA  43  -8.923   1.381  -3.641
  353    HB2  ALA  43           HB2      ALA  43  -9.533  -0.273  -3.748
  354    HB3  ALA  43           HB3      ALA  43  -8.332   0.303  -4.908
  355    H    ASP  44           H        ASP  44  -8.834  -1.850  -1.642
  356    HA   ASP  44           HA       ASP  44  -9.774  -0.334   0.527
  357    HB2  ASP  44           HB2      ASP  44  -9.273  -3.314   0.309
  358    HB3  ASP  44           HB3      ASP  44 -10.133  -2.552   1.641
  359    H    VAL  45           H        VAL  45  -7.050  -2.576   0.297
  360    HA   VAL  45           HA       VAL  45  -6.229  -2.346   2.970
  361    HB   VAL  45           HB       VAL  45  -4.556  -3.106   0.569
  362   HG11  VAL  45          HG11      VAL  45  -4.139  -3.702   3.497
  363   HG12  VAL  45          HG12      VAL  45  -3.189  -2.582   2.524
  364   HG13  VAL  45          HG13      VAL  45  -3.152  -4.308   2.168
  365   HG21  VAL  45          HG21      VAL  45  -6.555  -4.484   0.748
  366   HG22  VAL  45          HG22      VAL  45  -6.181  -4.827   2.437
  367   HG23  VAL  45          HG23      VAL  45  -5.116  -5.417   1.162
  368    H    PHE  46           H        PHE  46  -5.088  -0.687   0.034
  369    HA   PHE  46           HA       PHE  46  -2.989   0.688   1.356
  370    HB2  PHE  46           HB2      PHE  46  -3.081   0.281  -1.108
  371    HB3  PHE  46           HB3      PHE  46  -4.369   1.476  -1.218
  372    HD1  PHE  46           HD1      PHE  46  -0.819   1.000  -0.312
  373    HD2  PHE  46           HD2      PHE  46  -3.876   3.777  -1.331
  374    HE1  PHE  46           HE1      PHE  46   0.872   2.770  -0.544
  375    HE2  PHE  46           HE2      PHE  46  -2.190   5.555  -1.567
  376    HZ   PHE  46           HZ       PHE  46   0.189   5.051  -1.174
  377    H    ARG  47           H        ARG  47  -6.362   1.486   0.684
  378    HA   ARG  47           HA       ARG  47  -6.220   4.219   1.392
  379    HB2  ARG  47           HB2      ARG  47  -8.110   3.209   0.145
  380    HB3  ARG  47           HB3      ARG  47  -8.587   2.353   1.604
  381    HG2  ARG  47           HG2      ARG  47  -8.995   4.482   2.728
  382    HG3  ARG  47           HG3      ARG  47  -8.512   5.346   1.267
  383    HD2  ARG  47           HD2      ARG  47 -10.842   3.451   1.536
  384    HD3  ARG  47           HD3      ARG  47 -10.937   5.208   1.446
  385    HE   ARG  47           HE       ARG  47  -9.748   3.716  -0.782
  386   HH11  ARG  47          HH11      ARG  47 -12.293   5.758   0.486
  387   HH12  ARG  47          HH12      ARG  47 -12.996   6.074  -1.072
  388   HH21  ARG  47          HH21      ARG  47 -10.671   4.141  -2.847
  389   HH22  ARG  47          HH22      ARG  47 -12.073   5.162  -2.966
  390    H    LYS  48           H        LYS  48  -7.177   1.348   3.249
  391    HA   LYS  48           HA       LYS  48  -7.687   2.704   5.674
  392    HB2  LYS  48           HB2      LYS  48  -6.853  -0.164   5.223
  393    HB3  LYS  48           HB3      LYS  48  -7.553   0.471   6.704
  394    HG2  LYS  48           HG2      LYS  48  -9.622   0.973   5.531
  395    HG3  LYS  48           HG3      LYS  48  -8.918   0.394   4.020
  396    HD2  LYS  48           HD2      LYS  48 -10.297  -1.348   4.938
  397    HD3  LYS  48           HD3      LYS  48  -8.607  -1.832   5.087
  398    HE2  LYS  48           HE2      LYS  48  -8.613  -1.103   7.424
  399    HE3  LYS  48           HE3      LYS  48 -10.304  -0.629   7.272
  400    HZ1  LYS  48           HZ1      LYS  48 -10.835  -2.957   6.752
  401    HZ2  LYS  48           HZ2      LYS  48 -10.155  -2.776   8.295
  402    HZ3  LYS  48           HZ3      LYS  48  -9.213  -3.379   7.021
  403    H    ALA  49           H        ALA  49  -4.801   1.294   4.276
  404    HA   ALA  49           HA       ALA  49  -3.165   1.215   6.530
  405    HB1  ALA  49           HB1      ALA  49  -2.337   1.721   3.682
  406    HB2  ALA  49           HB2      ALA  49  -2.632   0.135   4.397
  407    HB3  ALA  49           HB3      ALA  49  -1.304   1.136   4.987
  408    H    LYS  50           H        LYS  50  -3.728   3.843   4.222
  409    HA   LYS  50           HA       LYS  50  -1.655   5.515   5.021
  410    HB2  LYS  50           HB2      LYS  50  -4.368   6.284   3.939
  411    HB3  LYS  50           HB3      LYS  50  -2.976   7.355   4.030
  412    HG2  LYS  50           HG2      LYS  50  -1.743   5.799   2.544
  413    HG3  LYS  50           HG3      LYS  50  -3.222   4.849   2.382
  414    HD2  LYS  50           HD2      LYS  50  -3.034   6.305   0.487
  415    HD3  LYS  50           HD3      LYS  50  -4.355   6.879   1.504
  416    HE2  LYS  50           HE2      LYS  50  -2.899   8.585   2.457
  417    HE3  LYS  50           HE3      LYS  50  -1.551   7.992   1.488
  418    HZ1  LYS  50           HZ1      LYS  50  -2.891   8.528  -0.513
  419    HZ2  LYS  50           HZ2      LYS  50  -2.472   9.888   0.407
  420    HZ3  LYS  50           HZ3      LYS  50  -4.040   9.261   0.492
  421    H    GLU  51           H        GLU  51  -4.892   5.149   6.390
  422    HA   GLU  51           HA       GLU  51  -4.556   7.356   8.202
  423    HB2  GLU  51           HB2      GLU  51  -6.789   6.655   7.411
  424    HB3  GLU  51           HB3      GLU  51  -6.590   5.122   8.251
  425    HG2  GLU  51           HG2      GLU  51  -6.415   6.343  10.380
  426    HG3  GLU  51           HG3      GLU  51  -6.710   7.850   9.516
  427    H    HIS  52           H        HIS  52  -4.401   3.826   8.434
  428    HA   HIS  52           HA       HIS  52  -4.043   3.759  11.248
  429    HB2  HIS  52           HB2      HIS  52  -4.895   1.828  10.020
  430    HB3  HIS  52           HB3      HIS  52  -3.371   1.682   9.152
  431    HD1  HIS  52           HD1      HIS  52  -4.831   1.255  12.616
  432    HD2  HIS  52           HD2      HIS  52  -1.415   0.233  10.465
  433    HE1  HIS  52           HE1      HIS  52  -3.585  -0.383  14.051
  434    HE2  HIS  52           HE2      HIS  52  -1.444  -0.851  12.819
  435    H    LEU  53           H        LEU  53  -1.817   3.908   8.536
  436    HA   LEU  53           HA       LEU  53   0.507   3.526  10.238
  437    HB2  LEU  53           HB2      LEU  53   0.356   4.309   7.324
  438    HB3  LEU  53           HB3      LEU  53   1.790   3.784   8.180
  439    HG   LEU  53           HG       LEU  53  -0.632   2.041   7.745
  440   HD11  LEU  53          HD11      LEU  53   0.355   2.602   5.607
  441   HD12  LEU  53          HD12      LEU  53   0.705   0.926   6.021
  442   HD13  LEU  53          HD13      LEU  53   1.952   2.156   6.202
  443   HD21  LEU  53          HD21      LEU  53   2.177   1.383   8.616
  444   HD22  LEU  53          HD22      LEU  53   0.861   0.232   8.375
  445   HD23  LEU  53          HD23      LEU  53   0.759   1.432   9.663
  446    H    GLY  54           H        GLY  54  -1.535   5.990   9.923
  447    HA2  GLY  54           HA2      GLY  54  -1.312   8.170  10.693
  448    HA3  GLY  54           HA3      GLY  54   0.429   7.945  10.741
  449    H    GLY  55           H        GLY  55   1.253   7.468   8.338
  450    HA2  GLY  55           HA2      GLY  55   1.638   8.304   6.237
  451    HA3  GLY  55           HA3      GLY  55  -0.033   8.850   6.225
  452    H    LEU  56           H        LEU  56   0.284  10.837   5.373
  453    HA   LEU  56           HA       LEU  56   0.981  12.950   7.078
  454    HB2  LEU  56           HB2      LEU  56   2.985  13.814   6.135
  455    HB3  LEU  56           HB3      LEU  56   3.297  12.141   6.538
  456    HG   LEU  56           HG       LEU  56   2.632  13.050   3.732
  457   HD11  LEU  56          HD11      LEU  56   4.665  14.169   4.516
  458   HD12  LEU  56          HD12      LEU  56   5.017  12.972   3.271
  459   HD13  LEU  56          HD13      LEU  56   5.349  12.607   4.964
  460   HD21  LEU  56          HD21      LEU  56   3.653  10.916   3.098
  461   HD22  LEU  56          HD22      LEU  56   2.278  10.670   4.175
  462   HD23  LEU  56          HD23      LEU  56   3.922  10.535   4.799
  463    H    GLU  57           H        GLU  57   0.580  11.767   3.811
  464    HA   GLU  57           HA       GLU  57  -0.519  14.343   2.956
  465    HB2  GLU  57           HB2      GLU  57   1.265  12.788   1.704
  466    HB3  GLU  57           HB3      GLU  57  -0.200  12.037   1.090
  467    HG2  GLU  57           HG2      GLU  57   0.588  14.929   0.807
  468    HG3  GLU  57           HG3      GLU  57   0.598  13.699  -0.458
  469    H    HIS  58           H        HIS  58  -2.675  14.554   2.387
  470    HA   HIS  58           HA       HIS  58  -4.402  12.189   2.660
  471    HB2  HIS  58           HB2      HIS  58  -4.864  14.784   4.157
  472    HB3  HIS  58           HB3      HIS  58  -5.926  13.384   4.167
  473    HD1  HIS  58           HD1      HIS  58  -5.006  11.228   5.442
  474    HD2  HIS  58           HD2      HIS  58  -2.821  14.730   5.981
  475    HE1  HIS  58           HE1      HIS  58  -3.551  10.823   7.456
  476    HE2  HIS  58           HE2      HIS  58  -2.415  13.033   7.892
  477    H    HIS  59           H        HIS  59  -3.518  14.165   0.494
  478    HA   HIS  59           HA       HIS  59  -5.685  15.872  -0.123
  479    HB2  HIS  59           HB2      HIS  59  -3.326  16.061  -0.991
  480    HB3  HIS  59           HB3      HIS  59  -3.681  14.717  -2.069
  481    HD1  HIS  59           HD1      HIS  59  -4.096  15.555  -4.349
  482    HD2  HIS  59           HD2      HIS  59  -5.557  18.154  -1.445
  483    HE1  HIS  59           HE1      HIS  59  -5.154  17.459  -5.604
  484    HE2  HIS  59           HE2      HIS  59  -6.210  18.906  -3.834
  485    H    HIS  60           H        HIS  60  -7.670  15.168  -0.488
  486    HA   HIS  60           HA       HIS  60  -8.165  12.604  -1.724
  487    HB2  HIS  60           HB2      HIS  60  -9.564  13.755   0.143
  488    HB3  HIS  60           HB3      HIS  60 -10.275  14.682  -1.174
  489    HD1  HIS  60           HD1      HIS  60 -12.180  13.616  -2.391
  490    HD2  HIS  60           HD2      HIS  60 -10.030  10.888  -0.099
  491    HE1  HIS  60           HE1      HIS  60 -13.483  11.466  -2.493
  492    HE2  HIS  60           HE2      HIS  60 -12.289   9.912  -0.905
  493    H    HIS  61           H        HIS  61  -9.552  15.790  -2.472
  494    HA   HIS  61           HA       HIS  61  -8.472  16.169  -4.998
  495    HB2  HIS  61           HB2      HIS  61 -10.529  14.171  -5.039
  496    HB3  HIS  61           HB3      HIS  61 -11.125  15.601  -5.873
  497    HD1  HIS  61           HD1      HIS  61 -10.042  16.201  -8.115
  498    HD2  HIS  61           HD2      HIS  61  -8.358  12.869  -6.286
  499    HE1  HIS  61           HE1      HIS  61  -8.554  15.153  -9.851
  500    HE2  HIS  61           HE2      HIS  61  -7.398  13.257  -8.656
  501    H    HIS  62           H        HIS  62 -11.620  16.356  -3.363
  502    HA   HIS  62           HA       HIS  62 -12.980  18.056  -2.815
  503    HB2  HIS  62           HB2      HIS  62 -10.294  19.309  -2.599
  504    HB3  HIS  62           HB3      HIS  62 -11.699  20.368  -2.542
  505    HD1  HIS  62           HD1      HIS  62 -13.007  20.451  -0.393
  506    HD2  HIS  62           HD2      HIS  62 -10.203  17.375  -0.463
  507    HE1  HIS  62           HE1      HIS  62 -12.946  19.529   1.949
  508    HE2  HIS  62           HE2      HIS  62 -11.144  17.769   1.910
  509    H    HIS  63           H        HIS  63 -13.539  17.554  -5.200
  510    HA   HIS  63           HA       HIS  63 -14.679  19.895  -6.162
  511    HB2  HIS  63           HB2      HIS  63 -12.237  20.249  -6.929
  512    HB3  HIS  63           HB3      HIS  63 -12.555  18.964  -8.090
  513    HD1  HIS  63           HD1      HIS  63 -11.955  22.030  -8.770
  514    HD2  HIS  63           HD2      HIS  63 -15.675  20.163  -8.776
  515    HE1  HIS  63           HE1      HIS  63 -13.416  23.420 -10.280
  516    HE2  HIS  63           HE2      HIS  63 -15.715  22.406 -10.059