*HEADER    METAL BINDING PROTEIN                   20-SEP-04   1XHJ              
*TITLE     SOLUTION STRUCTURE OF THE STAPHYLOCOCCUS EPIDERMIDIS                  
*TITLE    2 PROTEIN SE0936. NORTHEST STRUCTURAL GENOMICS CONSORTIUM              
*TITLE    3 TARGET SER8.                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NITROGEN FIXATION PROTEIN NIFU;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: SE0936;                                                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS;                     
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 STRAIN: ATCC 12228;                                                  
*SOURCE   5 GENE: SE0936;                                                        
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21MGK;                                   
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET21;                                     
*SOURCE  11 EXPRESSION_SYSTEM_PLASMID: SER8-21                                   
*KEYWDS    ALPHA-BETA, NIFU-LIKE, STRUCTURAL GENOMICS, PROTEIN                   
*KEYWDS   2 STRUCTURE INITIATIVE, NESG                                           
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    M.C.BARAN, Y.P.HUANG, T.ACTON, R.XIAO, G.T.MONTELIONE                 
*REVDAT   1   07-DEC-04 1XHJ    0                                                

!P2
!assign (resid 2    and name HA    )(resid 2    and name HB2   )     4.0  2.2 1.0
!assign (resid 2    and name HA    )(resid 2    and name HB1   )     4.0  2.2 1.0
!assign (resid 2    and name HA    )(resid 2    and name HG#   )     4.0  2.2 2.0
!assign (resid 2    and name HA    )(resid 2    and name HD#   )     4.0  2.2 2.0
!assign (resid 2    and name HB2   )(resid 2    and name HG#   )     4.0  2.2 2.0
!assign (resid 2    and name HB1   )(resid 2    and name HG#   )     4.0  2.2 2.0
!assign (resid 2    and name HB2   )(resid 2    and name HD#   )     4.0  2.2 2.0
!assign (resid 2    and name HB1   )(resid 2    and name HD#   )     4.0  2.2 2.0
assign (resid 2    and name HB#   )(resid 3    and name HA    )     4.0  2.2 2.0
!assign (resid 2    and name HG#   )(resid 2    and name HD2   )     4.0  2.2 2.0
!assign (resid 2    and name HG#   )(resid 2    and name HD1   )     4.0  2.2 2.0
!T3
!assign (resid 3    and name HA    )(resid 3    and name HB    )     3.0  1.2 0.5
assign (resid 3    and name HA    )(resid 3    and name HG2#  )     4.0  2.2 1.6
assign (resid 3    and name HA    )(resid 4    and name HN    )     3.0  1.2 0.5
assign (resid 3    and name HA    )(resid 4    and name HB#   )     4.0  2.2 2.0
!assign (resid 3    and name HB    )(resid 3    and name HG2#  )     4.0  2.2 2.0
assign (resid 3    and name HB    )(resid 4    and name HN    )     4.0  2.2 1.0
assign (resid 3    and name HB    )(resid 5    and name HN    )     2.5  0.7 0.4
assign (resid 3    and name HB    )(resid 6    and name HD#   )     4.0  2.2 2.0
assign (resid 3    and name HG2#  )(resid 4    and name HN    )     4.0  2.2 2.0
assign (resid 3    and name HG2#  )(resid 4    and name HA    )     4.0  2.2 2.0
assign (resid 3    and name HG2#  )(resid 5    and name HN    )     4.0  2.2 2.0
!E4
assign (resid 4    and name HN    )(resid 4    and name HB#   )     3.0  1.2 1.5
!assign (resid 4    and name HA    )(resid 4    and name HB2   )     4.0  2.2 1.0
!assign (resid 4    and name HA    )(resid 4    and name HB1   )     4.0  2.2 1.0
assign (resid 4    and name HA    )(resid 4    and name HG2   )     4.0  2.2 1.0
assign (resid 4    and name HA    )(resid 4    and name HG1   )     4.0  2.2 1.0
assign (resid 4    and name HA    )(resid 7    and name HA    )     4.0  2.2 1.0
!assign (resid 4    and name HB#   )(resid 4    and name HG#   )     4.0  2.2 3.0
assign (resid 4    and name HB#   )(resid 7    and name HG2#  )     4.0  2.2 3.0
!N5
assign (resid 5    and name HN    )(resid 5    and name HA    )     4.0  2.2 1.0
assign (resid 5    and name HN    )(resid 5    and name HB2   )     4.0  2.2 1.0
assign (resid 5    and name HN    )(resid 5    and name HB1   )     4.0  2.2 1.0
assign (resid 5    and name HN    )(resid 5    and name HD21  )     4.0  2.2 1.0
assign (resid 5    and name HN    )(resid 6    and name HD#   )     4.0  2.2 2.0
!assign (resid 5    and name HA    )(resid 5    and name HB2   )     4.0  2.2 1.0
!assign (resid 5    and name HA    )(resid 5    and name HB1   )     3.0  1.2 0.5
assign (resid 5    and name HA    )(resid 6    and name HD#   )     4.0  2.2 2.0
assign (resid 5    and name HB2   )(resid 5    and name HD21  )     4.0  2.2 1.0
assign (resid 5    and name HB1   )(resid 5    and name HD21  )     4.0  2.2 1.0
assign (resid 5    and name HB1   )(resid 5    and name HD22  )     4.0  2.2 1.0
assign (resid 5    and name HB2   )(resid 6    and name HG#   )     4.0  2.2 2.0
assign (resid 5    and name HB1   )(resid 6    and name HG#   )     4.0  2.2 2.0
assign (resid 5    and name HB2   )(resid 6    and name HD#   )     4.0  2.2 2.0
assign (resid 5    and name HB1   )(resid 6    and name HD#   )     4.0  2.2 2.0
!P6
!assign (resid 6    and name HA    )(resid 6    and name HB2   )     4.0  2.2 1.0
!assign (resid 6    and name HA    )(resid 6    and name HB1   )     4.0  2.2 1.0
!assign (resid 6    and name HA    )(resid 6    and name HG#   )     4.0  2.2 2.0
!assign (resid 6    and name HA    )(resid 6    and name HD#   )     4.0  2.2 2.0
assign (resid 6    and name HA    )(resid 7    and name HN    )     2.5  0.7 0.4
assign (resid 6    and name HA    )(resid 10   and name HB#   )     4.0  2.2 2.0
!assign (resid 6    and name HB2   )(resid 6    and name HG#   )     4.0  2.2 2.0
!assign (resid 6    and name HB1   )(resid 6    and name HG#   )     4.0  2.2 2.0
!assign (resid 6    and name HB2   )(resid 6    and name HD#   )     4.0  2.2 2.0
!assign (resid 6    and name HB1   )(resid 6    and name HD#   )     4.0  2.2 2.0
assign (resid 6    and name HB2   )(resid 7    and name HN    )     4.0  2.2 1.0
assign (resid 6    and name HB1   )(resid 7    and name HN    )     4.0  2.2 1.0
assign (resid 6    and name HB#   )(resid 7    and name HA    )     4.0  2.2 2.0
assign (resid 6    and name HB2   )(resid 10   and name HB2   )     4.0  2.2 1.0
assign (resid 6    and name HB2   )(resid 10   and name HB1   )     4.0  2.2 1.0
assign (resid 6    and name HB1   )(resid 10   and name HB2   )     4.0  2.2 1.0
assign (resid 6    and name HB1   )(resid 10   and name HB1   )     4.0  2.2 1.0
!assign (resid 6    and name HG2   )(resid 6    and name HD#   )     4.0  2.2 2.0
!assign (resid 6    and name HG1   )(resid 6    and name HD#   )     4.0  2.2 2.0
assign (resid 6    and name HD#   )(resid 7    and name HN    )     4.0  2.2 2.0
!T7
assign (resid 7    and name HN    )(resid 7    and name HA    )     3.0  1.2 0.5
assign (resid 7    and name HN    )(resid 7    and name HB    )     4.0  2.2 1.0
assign (resid 7    and name HN    )(resid 7    and name HG2#  )     4.0  2.2 2.0
assign (resid 7    and name HN    )(resid 10   and name HN    )     4.0  2.2 1.0
assign (resid 7    and name HN    )(resid 10   and name HB#   )     3.0  1.2 1.5
!assign (resid 7    and name HA    )(resid 7    and name HB    )     4.0  2.2 1.0
assign (resid 7    and name HA    )(resid 7    and name HG2#  )     4.0  2.2 1.6
assign (resid 7    and name HA    )(resid 8    and name HN    )     3.0  1.2 0.5
assign (resid 7    and name HA    )(resid 8    and name HA    )     4.0  2.2 1.0
assign (resid 7    and name HA    )(resid 9    and name HN    )     4.0  2.2 1.0
assign (resid 7    and name HA    )(resid 10   and name HN    )     4.0  2.2 1.0
!assign (resid 7    and name HB    )(resid 7    and name HG2#  )     4.0  2.2 2.0
assign (resid 7    and name HB    )(resid 8    and name HN    )     3.0  1.2 0.5
assign (resid 7    and name HB    )(resid 8    and name HB#   )     4.0  2.2 2.0
assign (resid 7    and name HB    )(resid 9    and name HN    )     4.0  2.2 1.0
assign (resid 7    and name HB    )(resid 9    and name HB#   )     4.0  2.2 2.0
assign (resid 7    and name HB    )(resid 10   and name HN    )     4.0  2.2 1.0
assign (resid 7    and name HG2#  )(resid 8    and name HN    )     4.0  2.2 2.0
assign (resid 7    and name HG2#  )(resid 9    and name HN    )     4.0  2.2 2.0
assign (resid 7    and name HG2#  )(resid 10   and name HN    )     4.0  2.2 2.0
!M8
assign (resid 8    and name HN    )(resid 8    and name HA    )     4.0  2.2 1.0
assign (resid 8    and name HN    )(resid 8    and name HB2   )     4.0  2.2 1.0
assign (resid 8    and name HN    )(resid 8    and name HB1   )     4.0  2.2 1.0
assign (resid 8    and name HN    )(resid 8    and name HG#   )     4.0  2.2 2.0
assign (resid 8    and name HN    )(resid 9    and name HN    )     3.0  1.2 0.5
assign (resid 8    and name HN    )(resid 9    and name HB#   )     4.0  2.2 2.0
assign (resid 8    and name HN    )(resid 10   and name HN    )     4.0  2.2 1.0
!assign (resid 8    and name HA    )(resid 8    and name HB2   )     4.0  2.2 1.0
!assign (resid 8    and name HA    )(resid 8    and name HB1   )     4.0  2.2 1.0
assign (resid 8    and name HA    )(resid 9    and name HN    )     4.0  2.2 1.0
assign (resid 8    and name HA    )(resid 11   and name HN    )     4.0  2.2 1.0
assign (resid 8    and name HA    )(resid 12   and name HN    )     4.0  2.2 1.0
assign (resid 8    and name HA    )(resid 12   and name HG1#  )     4.0  2.2 2.0
assign (resid 8    and name HA    )(resid 12   and name HG2#  )     4.0  2.2 2.0
!assign (resid 8    and name HB#   )(resid 8    and name HG#   )     4.0  2.2 3.0
assign (resid 8    and name HB#   )(resid 9    and name HN    )     4.0  2.2 2.0
assign (resid 8    and name HB#   )(resid 12   and name HN    )     4.0  2.2 2.0
assign (resid 8    and name HB2   )(resid 12   and name HG1#  )     4.0  2.2 2.0
assign (resid 8    and name HB2   )(resid 12   and name HG2#  )     4.0  2.2 2.0
assign (resid 8    and name HB1   )(resid 12   and name HG1#  )     4.0  2.2 2.0
assign (resid 8    and name HB1   )(resid 12   and name HG2#  )     4.0  2.2 2.0
assign (resid 8    and name HB2   )(resid 35   and name HG1#  )     4.0  2.2 2.0
assign (resid 8    and name HB2   )(resid 35   and name HG2#  )     4.0  2.2 2.0
assign (resid 8    and name HB1   )(resid 35   and name HG1#  )     4.0  2.2 2.0
assign (resid 8    and name HB1   )(resid 35   and name HG2#  )     4.0  2.2 2.0
assign (resid 8    and name HG#   )(resid 9    and name HN    )     4.0  2.2 2.0
!F9
assign (resid 9    and name HN    )(resid 9    and name HA    )     4.0  2.2 1.0
assign (resid 9    and name HN    )(resid 9    and name HB#   )     3.0  1.2 1.5
assign (resid 9    and name HN    )(resid 9    and name HD#   )     4.0  2.2 3.0
assign (resid 9    and name HN    )(resid 10   and name HN    )     3.0  1.2 0.5
assign (resid 9    and name HN    )(resid 11   and name HN    )     4.0  2.2 1.0
assign (resid 9    and name HN    )(resid 35   and name HB    )     4.0  2.2 1.0
assign (resid 9    and name HN    )(resid 35   and name HG1#  )     4.0  2.2 2.0
assign (resid 9    and name HN    )(resid 35   and name HG2#  )     4.0  2.2 2.0
!assign (resid 9    and name HA    )(resid 9    and name HB#   )     4.0  2.2 2.0
assign (resid 9    and name HA    )(resid 9    and name HD#   )     4.0  2.2 2.0
assign (resid 9    and name HA    )(resid 10   and name HN    )     4.0  2.2 1.0
assign (resid 9    and name HA    )(resid 11   and name HN    )     4.0  2.2 1.0
assign (resid 9    and name HA    )(resid 12   and name HN    )     4.0  2.2 1.0
assign (resid 9    and name HA    )(resid 12   and name HB    )     4.0  2.2 1.0
assign (resid 9    and name HA    )(resid 12   and name HG1#  )     4.0  2.2 2.0
assign (resid 9    and name HA    )(resid 12   and name HG2#  )     4.0  2.2 2.0
assign (resid 9    and name HA    )(resid 32   and name HD##  )     4.0  2.2 3.4
assign (resid 9    and name HA    )(resid 35   and name HB    )     4.0  2.2 1.0
assign (resid 9    and name HA    )(resid 35   and name HG1#  )     4.0  2.2 2.0
assign (resid 9    and name HA    )(resid 35   and name HG2#  )     4.0  2.2 2.0
assign (resid 9    and name HB#   )(resid 9    and name HD#   )     4.0  2.2 4.0
assign (resid 9    and name HB#   )(resid 10   and name HN    )     4.0  2.2 2.0
assign (resid 9    and name HB#   )(resid 35   and name HB    )     4.0  2.2 2.0
assign (resid 9    and name HB#   )(resid 35   and name HG1#  )     4.0  2.2 3.0
assign (resid 9    and name HB#   )(resid 35   and name HG2#  )     4.0  2.2 3.0
assign (resid 9    and name HE#   )(resid 13   and name HB#   )     4.0  2.2 4.0
assign (resid 9    and name HE#   )(resid 32   and name HD1#  )     4.0  2.2 4.0
assign (resid 9    and name HE#   )(resid 32   and name HD2#  )     4.0  2.2 4.0
assign (resid 9    and name HZ    )(resid 32   and name HD##  )     4.0  2.2 3.4
assign (resid 9    and name HD#   )(resid 10   and name HN    )     4.0  2.2 3.0
assign (resid 9    and name HD#   )(resid 10   and name HA    )     4.0  2.2 3.0
assign (resid 9    and name HD#   )(resid 12   and name HG##  )     4.0  2.2 5.4
assign (resid 9    and name HD#   )(resid 13   and name HB#   )     4.0  2.2 4.0
assign (resid 9    and name HD#   )(resid 32   and name HD1#  )     4.0  2.2 4.0
assign (resid 9    and name HD#   )(resid 32   and name HD2#  )     4.0  2.2 4.0
assign (resid 9    and name HD#   )(resid 35   and name HN    )     4.0  2.2 3.0
assign (resid 9    and name HD#   )(resid 35   and name HB    )     4.0  2.2 3.0
assign (resid 9    and name HD#   )(resid 35   and name HG1#  )     4.0  2.2 4.0
assign (resid 9    and name HD#   )(resid 35   and name HG2#  )     4.0  2.2 4.0
!D10
assign (resid 10   and name HN    )(resid 10   and name HA    )     4.0  2.2 1.0
assign (resid 10   and name HN    )(resid 10   and name HB#   )     3.0  1.2 1.5
assign (resid 10   and name HN    )(resid 11   and name HN    )     3.0  1.2 0.5
assign (resid 10   and name HN    )(resid 11   and name HB#   )     4.0  2.2 2.0
assign (resid 10   and name HN    )(resid 12   and name HG1#  )     4.0  2.2 2.0
assign (resid 10   and name HN    )(resid 12   and name HG2#  )     4.0  2.2 2.0
!assign (resid 10   and name HA    )(resid 10   and name HB2   )     4.0  2.2 1.0
!assign (resid 10   and name HA    )(resid 10   and name HB1   )     4.0  2.2 1.0
assign (resid 10   and name HA    )(resid 11   and name HN    )     4.0  2.2 1.0
assign (resid 10   and name HA    )(resid 13   and name HN    )     4.0  2.2 1.0
assign (resid 10   and name HA    )(resid 13   and name HB#   )     4.0  2.2 2.0
assign (resid 10   and name HA    )(resid 14   and name HN    )     4.0  2.2 1.0
assign (resid 10   and name HB#   )(resid 11   and name HN    )     4.0  2.2 2.0
assign (resid 10   and name HB#   )(resid 13   and name HB#   )     4.0  2.2 3.0
!Q11
assign (resid 11   and name HN    )(resid 11   and name HA    )     4.0  2.2 1.0
assign (resid 11   and name HN    )(resid 11   and name HB#   )     3.0  1.2 1.5
assign (resid 11   and name HN    )(resid 11   and name HG2   )     4.0  2.2 1.0
assign (resid 11   and name HN    )(resid 12   and name HN    )     3.0  1.2 0.5
!assign (resid 11   and name HA    )(resid 11   and name HB2   )     4.0  2.2 1.0
!assign (resid 11   and name HA    )(resid 11   and name HB1   )     4.0  2.2 1.0
assign (resid 11   and name HA    )(resid 11   and name HG2   )     4.0  2.2 1.0
assign (resid 11   and name HA    )(resid 11   and name HG1   )     4.0  2.2 1.0
assign (resid 11   and name HA    )(resid 12   and name HN    )     4.0  2.2 1.0
assign (resid 11   and name HA    )(resid 14   and name HN    )     3.0  1.2 0.5
assign (resid 11   and name HA    )(resid 14   and name HB#   )     4.0  2.2 2.0
assign (resid 11   and name HA    )(resid 15   and name HN    )     3.0  1.2 0.5
assign (resid 11   and name HA    )(resid 15   and name HG##  )     4.0  2.2 3.4
!assign (resid 11   and name HB#   )(resid 11   and name HG2   )     4.0  2.2 2.0
assign (resid 11   and name HB#   )(resid 11   and name HE21  )     4.0  2.2 2.0
assign (resid 11   and name HB#   )(resid 11   and name HE22  )     4.0  2.2 2.0
assign (resid 11   and name HB#   )(resid 12   and name HN    )     3.0  1.2 1.5
assign (resid 11   and name HB2   )(resid 12   and name HG1#  )     4.0  2.2 2.0
assign (resid 11   and name HB2   )(resid 12   and name HG2#  )     4.0  2.2 2.0
assign (resid 11   and name HB1   )(resid 12   and name HG1#  )     4.0  2.2 2.0
assign (resid 11   and name HB1   )(resid 12   and name HG2#  )     4.0  2.2 2.0
assign (resid 11   and name HG2   )(resid 11   and name HE21  )     4.0  2.2 1.0
assign (resid 11   and name HG2   )(resid 11   and name HE22  )     4.0  2.2 1.0
assign (resid 11   and name HG2   )(resid 12   and name HN    )     4.0  2.2 1.0
assign (resid 11   and name HG2   )(resid 15   and name HG1#  )     4.0  2.2 2.0
assign (resid 11   and name HG2   )(resid 15   and name HG2#  )     4.0  2.2 2.0
assign (resid 11   and name HE22  )(resid 12   and name HG##  )     4.0  2.2 3.4
assign (resid 11   and name HE22  )(resid 15   and name HG##  )     4.0  2.2 3.4
!V12
assign (resid 12   and name HN    )(resid 12   and name HA    )     4.0  2.2 1.0
assign (resid 12   and name HN    )(resid 12   and name HB    )     3.0  1.2 0.5
assign (resid 12   and name HN    )(resid 12   and name HG1#  )     4.0  2.2 2.0
assign (resid 12   and name HN    )(resid 12   and name HG2#  )     4.0  2.2 2.0
assign (resid 12   and name HN    )(resid 13   and name HN    )     4.0  2.2 1.0
assign (resid 12   and name HN    )(resid 13   and name HB#   )     4.0  2.2 2.0
assign (resid 12   and name HN    )(resid 14   and name HN    )     4.0  2.2 1.0
assign (resid 12   and name HN    )(resid 15   and name HG##  )     4.0  2.2 3.4
!assign (resid 12   and name HA    )(resid 12   and name HB    )     4.0  2.2 1.0
assign (resid 12   and name HA    )(resid 12   and name HG1#  )     4.0  2.2 2.0
assign (resid 12   and name HA    )(resid 12   and name HG2#  )     4.0  2.2 2.0
assign (resid 12   and name HA    )(resid 13   and name HN    )     4.0  2.2 1.0
assign (resid 12   and name HA    )(resid 14   and name HN    )     4.0  2.2 1.0
assign (resid 12   and name HA    )(resid 15   and name HN    )     4.0  2.2 1.0
assign (resid 12   and name HA    )(resid 15   and name HB    )     4.0  2.2 1.0
assign (resid 12   and name HA    )(resid 15   and name HG1#  )     4.0  2.2 2.0
assign (resid 12   and name HA    )(resid 15   and name HG2#  )     4.0  2.2 2.0
assign (resid 12   and name HA    )(resid 16   and name HN    )     4.0  2.2 1.0
!assign (resid 12   and name HB    )(resid 12   and name HG1#  )     4.0  2.2 2.0
!assign (resid 12   and name HB    )(resid 12   and name HG2#  )     4.0  2.2 2.0
assign (resid 12   and name HB    )(resid 13   and name HN    )     4.0  2.2 1.0
assign (resid 12   and name HB    )(resid 32   and name HD1#  )     4.0  2.2 2.0
assign (resid 12   and name HB    )(resid 32   and name HD2#  )     4.0  2.2 2.0
assign (resid 12   and name HG1#  )(resid 13   and name HN    )     4.0  2.2 2.0
assign (resid 12   and name HG2#  )(resid 13   and name HN    )     4.0  2.2 2.0
assign (resid 12   and name HG1#  )(resid 13   and name HA    )     4.0  2.2 2.0
assign (resid 12   and name HG2#  )(resid 13   and name HA    )     4.0  2.2 2.0
assign (resid 12   and name HG##  )(resid 13   and name HB#   )     4.0  2.2 4.4
assign (resid 12   and name HG1#  )(resid 14   and name HN    )     4.0  2.2 2.0
assign (resid 12   and name HG2#  )(resid 14   and name HN    )     4.0  2.2 2.0
assign (resid 12   and name HG1#  )(resid 32   and name HD##  )     4.0  2.2 4.4
assign (resid 12   and name HG2#  )(resid 32   and name HD##  )     4.0  2.2 4.4
assign (resid 12   and name HG##  )(resid 35   and name HG##  )     4.0  2.2 5.8
!A13
assign (resid 13   and name HN    )(resid 13   and name HA    )     4.0  2.2 1.0
assign (resid 13   and name HN    )(resid 13   and name HB#   )     4.0  2.2 1.6
assign (resid 13   and name HN    )(resid 14   and name HN    )     3.0  1.2 0.5
assign (resid 13   and name HN    )(resid 15   and name HN    )     4.0  2.2 1.0
assign (resid 13   and name HN    )(resid 32   and name HD##  )     4.0  2.2 3.4
!assign (resid 13   and name HA    )(resid 13   and name HB#   )     4.0  2.2 1.2
assign (resid 13   and name HA    )(resid 14   and name HN    )     4.0  2.2 1.0
assign (resid 13   and name HA    )(resid 14   and name HA    )     4.0  2.2 1.0
assign (resid 13   and name HA    )(resid 16   and name HN    )     4.0  2.2 1.0
assign (resid 13   and name HA    )(resid 16   and name HB    )     4.0  2.2 1.0
assign (resid 13   and name HA    )(resid 16   and name HG2#  )     4.0  2.2 2.0
assign (resid 13   and name HA    )(resid 16   and name HD1#  )     4.0  2.2 2.0
assign (resid 13   and name HA    )(resid 17   and name HN    )     4.0  2.2 1.0
assign (resid 13   and name HA    )(resid 32   and name HD##  )     4.0  2.2 3.4
assign (resid 13   and name HB#   )(resid 14   and name HN    )     4.0  2.2 2.0
assign (resid 13   and name HB#   )(resid 14   and name HA    )     4.0  2.2 2.0
assign (resid 13   and name HB#   )(resid 14   and name HB#   )     4.0  2.2 3.0
assign (resid 13   and name HB#   )(resid 14   and name HG#   )     4.0  2.2 3.0
assign (resid 13   and name HB#   )(resid 15   and name HN    )     4.0  2.2 2.0
assign (resid 13   and name HB#   )(resid 17   and name HN    )     4.0  2.2 2.0
assign (resid 13   and name HB#   )(resid 17   and name HB#   )     4.0  2.2 3.0
assign (resid 13   and name HB#   )(resid 32   and name HD##  )     4.0  2.2 4.4
!E14
assign (resid 14   and name HN    )(resid 14   and name HA    )     3.0  1.2 0.5
assign (resid 14   and name HN    )(resid 14   and name HB#   )     2.5  0.7 1.4
assign (resid 14   and name HN    )(resid 14   and name HG#   )     4.0  2.2 2.0
assign (resid 14   and name HN    )(resid 15   and name HN    )     3.0  1.2 0.5
assign (resid 14   and name HN    )(resid 15   and name HG##  )     4.0  2.2 3.4
assign (resid 14   and name HN    )(resid 15   and name HG2#  )     4.0  2.2 2.0
assign (resid 14   and name HN    )(resid 16   and name HN    )     4.0  2.2 1.0
!assign (resid 14   and name HA    )(resid 14   and name HB#   )     4.0  2.2 2.0
assign (resid 14   and name HA    )(resid 14   and name HG#   )     4.0  2.2 2.0
assign (resid 14   and name HA    )(resid 15   and name HN    )     4.0  2.2 1.0
assign (resid 14   and name HA    )(resid 17   and name HN    )     4.0  2.2 1.0
assign (resid 14   and name HA    )(resid 17   and name HB#   )     4.0  2.2 2.0
assign (resid 14   and name HA    )(resid 18   and name HN    )     4.0  2.2 1.0
!assign (resid 14   and name HB#   )(resid 14   and name HG#   )     4.0  2.2 3.0
assign (resid 14   and name HB#   )(resid 15   and name HN    )     3.0  1.2 1.5
assign (resid 14   and name HB#   )(resid 15   and name HG1#  )     4.0  2.2 3.0
assign (resid 14   and name HB#   )(resid 15   and name HG2#  )     4.0  2.2 3.0
assign (resid 14   and name HG#   )(resid 15   and name HG##  )     4.0  2.2 4.4
!V15
assign (resid 15   and name HN    )(resid 15   and name HA    )     3.0  1.2 0.5
assign (resid 15   and name HN    )(resid 15   and name HB    )     4.0  2.2 1.0
assign (resid 15   and name HN    )(resid 15   and name HG##  )     4.0  2.2 2.7
assign (resid 15   and name HN    )(resid 15   and name HG2#  )     4.0  2.2 2.0
assign (resid 15   and name HN    )(resid 16   and name HN    )     3.0  1.2 0.5
assign (resid 15   and name HN    )(resid 16   and name HG1#  )     4.0  2.2 2.0
assign (resid 15   and name HN    )(resid 16   and name HD1#  )     4.0  2.2 2.0
assign (resid 15   and name HN    )(resid 17   and name HN    )     4.0  2.2 1.0
!assign (resid 15   and name HA    )(resid 15   and name HB    )     4.0  2.2 1.0
assign (resid 15   and name HA    )(resid 15   and name HG1#  )     4.0  2.2 2.0
assign (resid 15   and name HA    )(resid 15   and name HG2#  )     4.0  2.2 2.0
assign (resid 15   and name HA    )(resid 16   and name HN    )     4.0  2.2 1.0
assign (resid 15   and name HA    )(resid 18   and name HN    )     4.0  2.2 1.0
assign (resid 15   and name HA    )(resid 19   and name HN    )     4.0  2.2 1.0
!assign (resid 15   and name HB    )(resid 15   and name HG1#  )     4.0  2.2 2.0
!assign (resid 15   and name HB    )(resid 15   and name HG2#  )     4.0  2.2 2.0
assign (resid 15   and name HB    )(resid 16   and name HN    )     4.0  2.2 1.0
assign (resid 15   and name HG1#  )(resid 16   and name HN    )     4.0  2.2 2.0
assign (resid 15   and name HG2#  )(resid 16   and name HN    )     4.0  2.2 2.0
assign (resid 15   and name HG##  )(resid 16   and name HG12  )     4.0  2.2 3.4
assign (resid 15   and name HG##  )(resid 16   and name HG11  )     4.0  2.2 3.4
assign (resid 15   and name HG##  )(resid 18   and name HG#   )     4.0  2.2 4.4
assign (resid 15   and name HG1#  )(resid 19   and name HD##  )     4.0  2.2 4.4
assign (resid 15   and name HG2#  )(resid 19   and name HD##  )     4.0  2.2 4.4
!I16
assign (resid 16   and name HN    )(resid 16   and name HA    )     4.0  2.2 1.0
assign (resid 16   and name HN    )(resid 16   and name HB    )     3.0  1.2 0.5
assign (resid 16   and name HN    )(resid 16   and name HG12  )     4.0  2.2 1.0
assign (resid 16   and name HN    )(resid 16   and name HG11  )     4.0  2.2 1.0
assign (resid 16   and name HN    )(resid 16   and name HD1#  )     4.0  2.2 2.0
assign (resid 16   and name HN    )(resid 18   and name HN    )     4.0  2.2 1.0
!assign (resid 16   and name HA    )(resid 16   and name HB    )     4.0  2.2 1.0
assign (resid 16   and name HA    )(resid 16   and name HG12  )     4.0  2.2 1.0
assign (resid 16   and name HA    )(resid 16   and name HG11  )     4.0  2.2 1.0
assign (resid 16   and name HA    )(resid 16   and name HG2#  )     4.0  2.2 1.6
assign (resid 16   and name HA    )(resid 16   and name HD1#  )     4.0  2.2 2.0
assign (resid 16   and name HA    )(resid 17   and name HN    )     4.0  2.2 1.0
assign (resid 16   and name HA    )(resid 19   and name HN    )     4.0  2.2 1.0
assign (resid 16   and name HA    )(resid 19   and name HB2   )     4.0  2.2 1.0
assign (resid 16   and name HA    )(resid 19   and name HB1   )     4.0  2.2 1.0
assign (resid 16   and name HA    )(resid 20   and name HN    )     4.0  2.2 1.0
!assign (resid 16   and name HB    )(resid 16   and name HG12  )     4.0  2.2 1.0
!assign (resid 16   and name HB    )(resid 16   and name HG11  )     4.0  2.2 1.0
!assign (resid 16   and name HB    )(resid 16   and name HG2#  )     4.0  2.2 2.0
assign (resid 16   and name HB    )(resid 16   and name HD1#  )     4.0  2.2 2.0
assign (resid 16   and name HB    )(resid 17   and name HN    )     3.0  1.2 0.5
assign (resid 16   and name HG12  )(resid 16   and name HG2#  )     4.0  2.2 2.0
assign (resid 16   and name HG11  )(resid 16   and name HG2#  )     4.0  2.2 2.0
!assign (resid 16   and name HG12  )(resid 16   and name HD1#  )     4.0  2.2 2.0
!assign (resid 16   and name HG11  )(resid 16   and name HD1#  )     4.0  2.2 2.0
assign (resid 16   and name HG1#  )(resid 17   and name HN    )     4.0  2.2 2.0
assign (resid 16   and name HG2#  )(resid 17   and name HN    )     4.0  2.2 2.0
assign (resid 16   and name HG2#  )(resid 17   and name HA    )     4.0  2.2 2.0
assign (resid 16   and name HG2#  )(resid 20   and name HN    )     4.0  2.2 2.0
assign (resid 16   and name HG2#  )(resid 20   and name HE    )     4.0  2.2 2.0
assign (resid 16   and name HG2#  )(resid 30   and name HB2   )     4.0  2.2 2.0
assign (resid 16   and name HG2#  )(resid 30   and name HB1   )     4.0  2.2 2.0
assign (resid 16   and name HG2#  )(resid 31   and name HA    )     4.0  2.2 2.0
assign (resid 16   and name HD1#  )(resid 32   and name HN    )     4.0  2.2 2.0
assign (resid 16   and name HD1#  )(resid 32   and name HB#   )     4.0  2.2 3.0
assign (resid 16   and name HD1#  )(resid 32   and name HD##  )     4.0  2.2 4.4
assign (resid 16   and name HD1#  )(resid 42   and name HD##  )     4.0  2.2 4.4
!E17
assign (resid 17   and name HN    )(resid 17   and name HA    )     4.0  2.2 1.0
assign (resid 17   and name HN    )(resid 17   and name HB#   )     2.5  0.7 1.4
assign (resid 17   and name HN    )(resid 17   and name HG#   )     4.0  2.2 2.0
assign (resid 17   and name HN    )(resid 18   and name HN    )     3.0  1.2 0.5
!assign (resid 17   and name HA    )(resid 17   and name HB#   )     4.0  2.2 2.0
assign (resid 17   and name HA    )(resid 17   and name HG#   )     4.0  2.2 2.0
assign (resid 17   and name HA    )(resid 18   and name HN    )     4.0  2.2 1.0
assign (resid 17   and name HA    )(resid 19   and name HN    )     4.0  2.2 1.0
!assign (resid 17   and name HB#   )(resid 17   and name HG#   )     4.0  2.2 3.0
assign (resid 17   and name HB#   )(resid 18   and name HN    )     4.0  2.2 2.0
assign (resid 17   and name HG#   )(resid 18   and name HN    )     4.0  2.2 2.0
!R18
assign (resid 18   and name HN    )(resid 18   and name HA    )     3.0  1.2 0.5
assign (resid 18   and name HN    )(resid 18   and name HG2   )     4.0  2.2 1.0
assign (resid 18   and name HN    )(resid 18   and name HG1   )     4.0  2.2 1.0
assign (resid 18   and name HN    )(resid 18   and name HD#   )     4.0  2.2 2.0
assign (resid 18   and name HN    )(resid 19   and name HN    )     3.0  1.2 0.5
assign (resid 18   and name HN    )(resid 19   and name HD##  )     4.0  2.2 3.4
assign (resid 18   and name HN    )(resid 20   and name HN    )     4.0  2.2 1.0
!assign (resid 18   and name HA    )(resid 18   and name HB2   )     4.0  2.2 1.0
!assign (resid 18   and name HA    )(resid 18   and name HB1   )     4.0  2.2 1.0
assign (resid 18   and name HA    )(resid 18   and name HG#   )     4.0  2.2 2.0
assign (resid 18   and name HA    )(resid 18   and name HD#   )     4.0  2.2 2.0
assign (resid 18   and name HA    )(resid 19   and name HN    )     4.0  2.2 1.0
!assign (resid 18   and name HB#   )(resid 18   and name HG#   )     4.0  2.2 3.0
assign (resid 18   and name HB#   )(resid 18   and name HD#   )     4.0  2.2 3.0
assign (resid 18   and name HB#   )(resid 18   and name HE    )     4.0  2.2 2.0
assign (resid 18   and name HB2   )(resid 19   and name HN    )     4.0  2.2 1.0
assign (resid 18   and name HB1   )(resid 19   and name HN    )     4.0  2.2 1.0
assign (resid 18   and name HB#   )(resid 19   and name HD##  )     4.0  2.2 4.4
!assign (resid 18   and name HG2   )(resid 18   and name HD#   )     4.0  2.2 2.0
!assign (resid 18   and name HG1   )(resid 18   and name HD#   )     4.0  2.2 2.0
!L19
assign (resid 19   and name HN    )(resid 19   and name HA    )     4.0  2.2 1.0
assign (resid 19   and name HN    )(resid 19   and name HB2   )     4.0  2.2 1.0
assign (resid 19   and name HN    )(resid 19   and name HB1   )     4.0  2.2 1.0
assign (resid 19   and name HN    )(resid 19   and name HG    )     4.0  2.2 1.0
assign (resid 19   and name HN    )(resid 19   and name HD##  )     4.0  2.2 2.7
assign (resid 19   and name HN    )(resid 20   and name HB#   )     4.0  2.2 2.0
assign (resid 19   and name HN    )(resid 21   and name HD#   )     4.0  2.2 2.0
!assign (resid 19   and name HA    )(resid 19   and name HB2   )     4.0  2.2 1.0
!assign (resid 19   and name HA    )(resid 19   and name HB1   )     4.0  2.2 1.0
assign (resid 19   and name HA    )(resid 19   and name HD##  )     4.0  2.2 2.7
assign (resid 19   and name HA    )(resid 20   and name HN    )     4.0  2.2 1.0
assign (resid 19   and name HA    )(resid 22   and name HN    )     4.0  2.2 1.0
assign (resid 19   and name HA    )(resid 22   and name HB#   )     4.0  2.2 2.0
assign (resid 19   and name HA    )(resid 22   and name HD#   )     4.0  2.2 3.0
!assign (resid 19   and name HB#   )(resid 19   and name HG    )     4.0  2.2 2.0
assign (resid 19   and name HB2   )(resid 19   and name HD##  )     4.0  2.2 3.4
assign (resid 19   and name HB1   )(resid 19   and name HD##  )     4.0  2.2 3.4
assign (resid 19   and name HB2   )(resid 20   and name HN    )     4.0  2.2 1.0
assign (resid 19   and name HB1   )(resid 20   and name HN    )     4.0  2.2 1.0
assign (resid 19   and name HB#   )(resid 22   and name HB#   )     4.0  2.2 3.0
assign (resid 19   and name HB2   )(resid 23   and name HD##  )     4.0  2.2 3.4
assign (resid 19   and name HB1   )(resid 23   and name HD##  )     4.0  2.2 3.4
assign (resid 19   and name HD##  )(resid 22   and name HB#   )     4.0  2.2 4.4
assign (resid 19   and name HD##  )(resid 22   and name HD#   )     4.0  2.2 5.4
assign (resid 19   and name HD##  )(resid 22   and name HE#   )     4.0  2.2 5.4
assign (resid 19   and name HD##  )(resid 23   and name HD##  )     4.0  2.2 5.8
!R20
assign (resid 20   and name HN    )(resid 20   and name HA    )     3.0  1.2 0.5
assign (resid 20   and name HN    )(resid 20   and name HB2   )     4.0  2.2 1.0
assign (resid 20   and name HN    )(resid 20   and name HB1   )     4.0  2.2 1.0
assign (resid 20   and name HN    )(resid 20   and name HG#   )     4.0  2.2 2.0
assign (resid 20   and name HN    )(resid 21   and name HD2   )     4.0  2.2 1.0
assign (resid 20   and name HN    )(resid 21   and name HD1   )     4.0  2.2 1.0
!assign (resid 20   and name HA    )(resid 20   and name HB2   )     4.0  2.2 1.0
!assign (resid 20   and name HA    )(resid 20   and name HB1   )     4.0  2.2 1.0
assign (resid 20   and name HA    )(resid 20   and name HG#   )     4.0  2.2 2.0
assign (resid 20   and name HA    )(resid 22   and name HN    )     4.0  2.2 1.0
assign (resid 20   and name HA    )(resid 23   and name HN    )     4.0  2.2 1.0
assign (resid 20   and name HA    )(resid 23   and name HB2   )     4.0  2.2 1.0
assign (resid 20   and name HA    )(resid 23   and name HB1   )     4.0  2.2 1.0
assign (resid 20   and name HA    )(resid 23   and name HD##  )     4.0  2.2 3.4
!assign (resid 20   and name HB2   )(resid 20   and name HG#   )     4.0  2.2 2.0
!assign (resid 20   and name HB1   )(resid 20   and name HG#   )     4.0  2.2 2.0
assign (resid 20   and name HB2   )(resid 20   and name HD#   )     4.0  2.2 2.0
assign (resid 20   and name HB1   )(resid 20   and name HD#   )     4.0  2.2 2.0
assign (resid 20   and name HB#   )(resid 20   and name HE    )     4.0  2.2 2.0
assign (resid 20   and name HB#   )(resid 21   and name HD#   )     4.0  2.2 3.0
!assign (resid 20   and name HG2   )(resid 20   and name HD#   )     4.0  2.2 2.0
!assign (resid 20   and name HG1   )(resid 20   and name HD#   )     4.0  2.2 2.0
assign (resid 20   and name HG#   )(resid 20   and name HE    )     4.0  2.2 2.0
assign (resid 20   and name HG#   )(resid 21   and name HD#   )     4.0  2.2 3.0
assign (resid 20   and name HG#   )(resid 29   and name HA    )     4.0  2.2 2.0
!P21
!assign (resid 21   and name HA    )(resid 21   and name HB2   )     4.0  2.2 1.0
!assign (resid 21   and name HA    )(resid 21   and name HB1   )     4.0  2.2 1.0
!assign (resid 21   and name HA    )(resid 21   and name HG#   )     4.0  2.2 2.0
!assign (resid 21   and name HA    )(resid 21   and name HD2   )     4.0  2.2 1.0
!assign (resid 21   and name HA    )(resid 21   and name HD1   )     4.0  2.2 1.0
assign (resid 21   and name HA    )(resid 22   and name HN    )     4.0  2.2 1.0
assign (resid 21   and name HA    )(resid 24   and name HN    )     4.0  2.2 1.0
assign (resid 21   and name HA    )(resid 24   and name HB2   )     4.0  2.2 1.0
assign (resid 21   and name HA    )(resid 24   and name HB1   )     4.0  2.2 1.0
assign (resid 21   and name HA    )(resid 24   and name HD##  )     4.0  2.2 3.4
!assign (resid 21   and name HB2   )(resid 21   and name HG#   )     4.0  2.2 2.0
!assign (resid 21   and name HB1   )(resid 21   and name HG#   )     4.0  2.2 2.0
!assign (resid 21   and name HB2   )(resid 21   and name HD#   )     4.0  2.2 2.0
!assign (resid 21   and name HB1   )(resid 21   and name HD#   )     4.0  2.2 2.0
assign (resid 21   and name HB2   )(resid 22   and name HN    )     4.0  2.2 1.0
assign (resid 21   and name HB1   )(resid 22   and name HN    )     4.0  2.2 1.0
assign (resid 21   and name HB#   )(resid 24   and name HD##  )     4.0  2.2 4.4
!assign (resid 21   and name HG#   )(resid 21   and name HD2   )     4.0  2.2 2.0
!assign (resid 21   and name HG#   )(resid 21   and name HD1   )     4.0  2.2 2.0
assign (resid 21   and name HG#   )(resid 22   and name HN    )     4.0  2.2 2.0
assign (resid 21   and name HG#   )(resid 22   and name HD#   )     4.0  2.2 4.0
assign (resid 21   and name HD2   )(resid 22   and name HN    )     4.0  2.2 1.0
assign (resid 21   and name HD1   )(resid 22   and name HN    )     4.0  2.2 1.0
!F22
assign (resid 22   and name HN    )(resid 22   and name HA    )     3.0  1.2 0.5
assign (resid 22   and name HN    )(resid 22   and name HB#   )     3.0  1.2 1.5
assign (resid 22   and name HN    )(resid 23   and name HN    )     3.0  1.2 0.5
assign (resid 22   and name HN    )(resid 24   and name HN    )     4.0  2.2 1.0
!assign (resid 22   and name HA    )(resid 22   and name HB#   )     4.0  2.2 2.0
assign (resid 22   and name HA    )(resid 22   and name HD#   )     4.0  2.2 2.0
assign (resid 22   and name HA    )(resid 22   and name HE#   )     4.0  2.2 2.0
assign (resid 22   and name HA    )(resid 23   and name HN    )     4.0  2.2 1.0
assign (resid 22   and name HA    )(resid 24   and name HN    )     4.0  2.2 1.0
assign (resid 22   and name HA    )(resid 25   and name HN    )     4.0  2.2 1.0
assign (resid 22   and name HA    )(resid 25   and name HB2   )     4.0  2.2 1.0
assign (resid 22   and name HA    )(resid 25   and name HB1   )     4.0  2.2 1.0
assign (resid 22   and name HA    )(resid 25   and name HG#   )     4.0  2.2 2.0
assign (resid 22   and name HB#   )(resid 22   and name HD#   )     4.0  2.2 4.0
assign (resid 22   and name HB#   )(resid 22   and name HE#   )     4.0  2.2 4.0
assign (resid 22   and name HB#   )(resid 23   and name HN    )     4.0  2.2 2.0
assign (resid 22   and name HB#   )(resid 23   and name HD##  )     4.0  2.2 4.4
assign (resid 22   and name HD#   )(resid 23   and name HN    )     4.0  2.2 3.0
!L23
assign (resid 23   and name HN    )(resid 23   and name HA    )     4.0  2.2 1.0
assign (resid 23   and name HN    )(resid 23   and name HB2   )     4.0  2.2 1.0
assign (resid 23   and name HN    )(resid 23   and name HB1   )     4.0  2.2 1.0
assign (resid 23   and name HN    )(resid 23   and name HG    )     4.0  2.2 1.0
assign (resid 23   and name HN    )(resid 23   and name HD##  )     4.0  2.2 2.7
assign (resid 23   and name HN    )(resid 24   and name HN    )     3.0  1.2 0.5
assign (resid 23   and name HN    )(resid 25   and name HN    )     4.0  2.2 1.0
!assign (resid 23   and name HA    )(resid 23   and name HB2   )     4.0  2.2 1.0
!assign (resid 23   and name HA    )(resid 23   and name HB1   )     4.0  2.2 1.0
assign (resid 23   and name HA    )(resid 23   and name HG    )     4.0  2.2 1.0
assign (resid 23   and name HA    )(resid 23   and name HD##  )     4.0  2.2 2.7
assign (resid 23   and name HA    )(resid 24   and name HN    )     4.0  2.2 1.0
assign (resid 23   and name HA    )(resid 25   and name HN    )     4.0  2.2 1.0
assign (resid 23   and name HA    )(resid 26   and name HN    )     4.0  2.2 1.0
assign (resid 23   and name HA    )(resid 26   and name HB#   )     4.0  2.2 2.0
!assign (resid 23   and name HB#   )(resid 23   and name HG    )     4.0  2.2 2.0
assign (resid 23   and name HB2   )(resid 23   and name HD##  )     4.0  2.2 3.4
assign (resid 23   and name HB1   )(resid 23   and name HD##  )     4.0  2.2 3.4
assign (resid 23   and name HB2   )(resid 24   and name HN    )     4.0  2.2 1.0
assign (resid 23   and name HB1   )(resid 24   and name HN    )     4.0  2.2 1.0
assign (resid 23   and name HB#   )(resid 28   and name HN    )     4.0  2.2 2.0
assign (resid 23   and name HB2   )(resid 29   and name HA    )     4.0  2.2 1.0
assign (resid 23   and name HB1   )(resid 29   and name HA    )     4.0  2.2 1.0
assign (resid 23   and name HD##  )(resid 24   and name HN    )     4.0  2.2 3.4
assign (resid 23   and name HD##  )(resid 27   and name HN    )     4.0  2.2 3.4
assign (resid 23   and name HD##  )(resid 28   and name HN    )     4.0  2.2 3.4
assign (resid 23   and name HD##  )(resid 29   and name HA    )     4.0  2.2 3.4
assign (resid 23   and name HD##  )(resid 30   and name HN    )     4.0  2.2 3.4
assign (resid 23   and name HD##  )(resid 30   and name HB2   )     4.0  2.2 3.4
assign (resid 23   and name HD##  )(resid 30   and name HB1   )     4.0  2.2 3.4
!L24
assign (resid 24   and name HN    )(resid 24   and name HA    )     4.0  2.2 1.0
assign (resid 24   and name HN    )(resid 24   and name HB2   )     4.0  2.2 1.0
assign (resid 24   and name HN    )(resid 24   and name HB1   )     4.0  2.2 1.0
assign (resid 24   and name HN    )(resid 24   and name HD##  )     4.0  2.2 2.7
assign (resid 24   and name HN    )(resid 25   and name HN    )     4.0  2.2 1.0
assign (resid 24   and name HN    )(resid 26   and name HN    )     4.0  2.2 1.0
!assign (resid 24   and name HA    )(resid 24   and name HB2   )     4.0  2.2 1.0
!assign (resid 24   and name HA    )(resid 24   and name HB1   )     4.0  2.2 1.0
assign (resid 24   and name HA    )(resid 24   and name HG    )     4.0  2.2 1.0
assign (resid 24   and name HA    )(resid 24   and name HD1#  )     4.0  2.2 2.0
assign (resid 24   and name HA    )(resid 24   and name HD2#  )     4.0  2.2 2.0
assign (resid 24   and name HA    )(resid 25   and name HN    )     4.0  2.2 1.0
assign (resid 24   and name HA    )(resid 26   and name HN    )     4.0  2.2 1.0
assign (resid 24   and name HA    )(resid 27   and name HN    )     4.0  2.2 1.0
assign (resid 24   and name HA    )(resid 28   and name HN    )     4.0  2.2 1.0
!assign (resid 24   and name HB#   )(resid 24   and name HG    )     4.0  2.2 2.0
assign (resid 24   and name HB2   )(resid 24   and name HD1#  )     4.0  2.2 2.0
assign (resid 24   and name HB2   )(resid 24   and name HD2#  )     4.0  2.2 2.0
assign (resid 24   and name HB1   )(resid 24   and name HD1#  )     4.0  2.2 2.0
assign (resid 24   and name HB1   )(resid 24   and name HD2#  )     4.0  2.2 2.0
assign (resid 24   and name HB2   )(resid 25   and name HN    )     4.0  2.2 1.0
assign (resid 24   and name HB1   )(resid 25   and name HN    )     4.0  2.2 1.0
assign (resid 24   and name HB#   )(resid 28   and name HN    )     4.0  2.2 2.0
!assign (resid 24   and name HG    )(resid 24   and name HD##  )     4.0  2.2 3.4
assign (resid 24   and name HD##  )(resid 25   and name HA    )     4.0  2.2 3.4
assign (resid 24   and name HD1#  )(resid 25   and name HG#   )     4.0  2.2 3.0
assign (resid 24   and name HD2#  )(resid 25   and name HG#   )     4.0  2.2 3.0
assign (resid 24   and name HD1#  )(resid 28   and name HA#   )     4.0  2.2 3.0
assign (resid 24   and name HD2#  )(resid 28   and name HA#   )     4.0  2.2 3.0
assign (resid 24   and name HD##  )(resid 29   and name HN    )     4.0  2.2 3.4
assign (resid 24   and name HD##  )(resid 29   and name HA    )     4.0  2.2 3.4
assign (resid 24   and name HD1#  )(resid 29   and name HB#   )     4.0  2.2 3.0
assign (resid 24   and name HD2#  )(resid 29   and name HB#   )     4.0  2.2 3.0
!R25
assign (resid 25   and name HN    )(resid 25   and name HA    )     3.0  1.2 0.5
assign (resid 25   and name HN    )(resid 25   and name HB#   )     2.5  0.7 1.4
assign (resid 25   and name HN    )(resid 25   and name HG2   )     4.0  2.2 1.0
assign (resid 25   and name HN    )(resid 25   and name HG1   )     4.0  2.2 1.0
assign (resid 25   and name HN    )(resid 25   and name HD#   )     4.0  2.2 2.0
assign (resid 25   and name HN    )(resid 26   and name HN    )     3.0  1.2 0.5
assign (resid 25   and name HN    )(resid 27   and name HN    )     4.0  2.2 1.0
!assign (resid 25   and name HA    )(resid 25   and name HB#   )     4.0  2.2 2.0
assign (resid 25   and name HA    )(resid 25   and name HG2   )     4.0  2.2 1.0
assign (resid 25   and name HA    )(resid 25   and name HG1   )     4.0  2.2 1.0
assign (resid 25   and name HA    )(resid 25   and name HD#   )     4.0  2.2 2.0
assign (resid 25   and name HA    )(resid 26   and name HN    )     4.0  2.2 1.0
!assign (resid 25   and name HB#   )(resid 25   and name HG#   )     4.0  2.2 3.0
assign (resid 25   and name HB#   )(resid 25   and name HD#   )     4.0  2.2 3.0
assign (resid 25   and name HB#   )(resid 26   and name HN    )     4.0  2.2 2.0
!assign (resid 25   and name HG2   )(resid 25   and name HD#   )     4.0  2.2 2.0
!assign (resid 25   and name HG1   )(resid 25   and name HD#   )     4.0  2.2 2.0
assign (resid 25   and name HG#   )(resid 26   and name HN    )     4.0  2.2 2.0
!D26
assign (resid 26   and name HN    )(resid 26   and name HA    )     4.0  2.2 1.0
assign (resid 26   and name HN    )(resid 26   and name HB2   )     4.0  2.2 1.0
assign (resid 26   and name HN    )(resid 26   and name HB1   )     4.0  2.2 1.0
assign (resid 26   and name HN    )(resid 27   and name HN    )     3.0  1.2 0.5
assign (resid 26   and name HN    )(resid 28   and name HN    )     4.0  2.2 1.0
!assign (resid 26   and name HA    )(resid 26   and name HB2   )     4.0  2.2 1.0
!assign (resid 26   and name HA    )(resid 26   and name HB1   )     4.0  2.2 1.0
assign (resid 26   and name HA    )(resid 27   and name HN    )     4.0  2.2 1.0
assign (resid 26   and name HB2   )(resid 27   and name HN    )     4.0  2.2 1.0
assign (resid 26   and name HB1   )(resid 27   and name HN    )     4.0  2.2 1.0
assign (resid 26   and name HB#   )(resid 58   and name HD##  )     4.0  2.2 4.4
!G27
assign (resid 27   and name HN    )(resid 27   and name HA2   )     4.0  2.2 1.0
assign (resid 27   and name HN    )(resid 27   and name HA1   )     4.0  2.2 1.0
assign (resid 27   and name HN    )(resid 28   and name HN    )     3.0  1.2 0.5
assign (resid 27   and name HN    )(resid 58   and name HD##  )     4.0  2.2 3.4
assign (resid 27   and name HA2   )(resid 28   and name HN    )     4.0  2.2 1.0
assign (resid 27   and name HA1   )(resid 28   and name HN    )     4.0  2.2 1.0
assign (resid 27   and name HA#   )(resid 58   and name HD##  )     4.0  2.2 4.4
!G28
assign (resid 28   and name HN    )(resid 28   and name HA2   )     4.0  2.2 1.0
assign (resid 28   and name HN    )(resid 28   and name HA1   )     4.0  2.2 1.0
assign (resid 28   and name HA2   )(resid 29   and name HN    )     4.0  2.2 1.0
assign (resid 28   and name HA1   )(resid 29   and name HN    )     3.0  1.2 0.5
!D29
assign (resid 29   and name HN    )(resid 29   and name HA    )     4.0  2.2 1.0
assign (resid 29   and name HN    )(resid 29   and name HB2   )     4.0  2.2 1.0
assign (resid 29   and name HN    )(resid 29   and name HB1   )     4.0  2.2 1.0
assign (resid 29   and name HN    )(resid 30   and name HN    )     4.0  2.2 1.0
assign (resid 29   and name HN    )(resid 45   and name HN    )     3.0  1.2 0.5
assign (resid 29   and name HN    )(resid 45   and name HA    )     4.0  2.2 1.0
assign (resid 29   and name HN    )(resid 45   and name HB2   )     4.0  2.2 1.0
assign (resid 29   and name HN    )(resid 45   and name HB1   )     4.0  2.2 1.0
assign (resid 29   and name HN    )(resid 46   and name HA#   )     4.0  2.2 2.0
!assign (resid 29   and name HA    )(resid 29   and name HB2   )     4.0  2.2 1.0
!assign (resid 29   and name HA    )(resid 29   and name HB1   )     4.0  2.2 1.0
assign (resid 29   and name HA    )(resid 30   and name HN    )     3.0  1.2 0.5
assign (resid 29   and name HB2   )(resid 30   and name HN    )     4.0  2.2 1.0
assign (resid 29   and name HB1   )(resid 30   and name HN    )     4.0  2.2 1.0
assign (resid 29   and name HB#   )(resid 45   and name HB2   )     4.0  2.2 2.0
assign (resid 29   and name HB#   )(resid 45   and name HB1   )     4.0  2.2 2.0
assign (resid 29   and name HB2   )(resid 45   and name HD2   )     4.0  2.2 1.0
assign (resid 29   and name HB1   )(resid 45   and name HD2   )     4.0  2.2 1.0
!C30
assign (resid 30   and name HN    )(resid 30   and name HA    )     4.0  2.2 1.0
assign (resid 30   and name HN    )(resid 30   and name HB2   )     4.0  2.2 1.0
assign (resid 30   and name HN    )(resid 30   and name HB1   )     4.0  2.2 1.0
assign (resid 30   and name HN    )(resid 31   and name HN    )     4.0  2.2 1.0
!assign (resid 30   and name HA    )(resid 30   and name HB2   )     4.0  2.2 1.0
!assign (resid 30   and name HA    )(resid 30   and name HB1   )     4.0  2.2 1.0
assign (resid 30   and name HA    )(resid 31   and name HN    )     3.0  1.2 0.5
assign (resid 30   and name HA    )(resid 44   and name HG    )     4.0  2.2 1.0
assign (resid 30   and name HA    )(resid 44   and name HD##  )     4.0  2.2 3.4
assign (resid 30   and name HA    )(resid 45   and name HN    )     4.0  2.2 1.0
assign (resid 30   and name HA    )(resid 45   and name HD2   )     4.0  2.2 1.0
assign (resid 30   and name HB2   )(resid 31   and name HN    )     4.0  2.2 1.0
assign (resid 30   and name HB1   )(resid 31   and name HN    )     4.0  2.2 1.0
assign (resid 30   and name HB2   )(resid 42   and name HD##  )     4.0  2.2 3.4
assign (resid 30   and name HB1   )(resid 42   and name HD##  )     4.0  2.2 3.4
assign (resid 30   and name HB2   )(resid 44   and name HD##  )     4.0  2.2 3.4
assign (resid 30   and name HB1   )(resid 44   and name HD##  )     4.0  2.2 3.4
!T31
assign (resid 31   and name HN    )(resid 31   and name HA    )     4.0  2.2 1.0
assign (resid 31   and name HN    )(resid 31   and name HB    )     4.0  2.2 1.0
assign (resid 31   and name HN    )(resid 31   and name HG2#  )     4.0  2.2 2.0
assign (resid 31   and name HN    )(resid 32   and name HN    )     4.0  2.2 1.0
assign (resid 31   and name HN    )(resid 42   and name HD##  )     4.0  2.2 3.4
assign (resid 31   and name HN    )(resid 43   and name HN    )     2.5  0.7 0.4
assign (resid 31   and name HN    )(resid 43   and name HA    )     4.0  2.2 1.0
assign (resid 31   and name HN    )(resid 43   and name HB#   )     4.0  2.2 2.0
assign (resid 31   and name HN    )(resid 44   and name HA    )     4.0  2.2 1.0
assign (resid 31   and name HN    )(resid 45   and name HD2   )     4.0  2.2 1.0
!assign (resid 31   and name HA    )(resid 31   and name HB    )     4.0  2.2 1.0
assign (resid 31   and name HA    )(resid 31   and name HG2#  )     4.0  2.2 1.6
assign (resid 31   and name HA    )(resid 32   and name HN    )     2.5  0.7 0.4
assign (resid 31   and name HA    )(resid 32   and name HB#   )     4.0  2.2 2.0
assign (resid 31   and name HA    )(resid 43   and name HN    )     4.0  2.2 1.0
!assign (resid 31   and name HB    )(resid 31   and name HG2#  )     4.0  2.2 2.0
assign (resid 31   and name HB    )(resid 32   and name HN    )     4.0  2.2 1.0
assign (resid 31   and name HB    )(resid 33   and name HG##  )     4.0  2.2 3.4
assign (resid 31   and name HB    )(resid 43   and name HN    )     4.0  2.2 1.0
assign (resid 31   and name HB    )(resid 43   and name HB#   )     3.0  1.2 1.5
assign (resid 31   and name HB    )(resid 43   and name HG#   )     4.0  2.2 2.0
assign (resid 31   and name HG2#  )(resid 32   and name HN    )     4.0  2.2 2.0
assign (resid 31   and name HG2#  )(resid 33   and name HN    )     4.0  2.2 2.0
assign (resid 31   and name HG2#  )(resid 33   and name HA    )     4.0  2.2 2.0
assign (resid 31   and name HG2#  )(resid 43   and name HN    )     4.0  2.2 2.0
assign (resid 31   and name HG2#  )(resid 43   and name HB#   )     4.0  2.2 3.0
assign (resid 31   and name HG2#  )(resid 45   and name HD2   )     4.0  2.2 2.0
!L32
assign (resid 32   and name HN    )(resid 32   and name HA    )     4.0  2.2 1.0
assign (resid 32   and name HN    )(resid 32   and name HB2   )     4.0  2.2 1.0
assign (resid 32   and name HN    )(resid 32   and name HB1   )     4.0  2.2 1.0
assign (resid 32   and name HN    )(resid 32   and name HG    )     4.0  2.2 1.0
assign (resid 32   and name HN    )(resid 32   and name HD##  )     4.0  2.2 2.7
assign (resid 32   and name HN    )(resid 33   and name HN    )     4.0  2.2 1.0
assign (resid 32   and name HN    )(resid 42   and name HA    )     4.0  2.2 1.0
assign (resid 32   and name HN    )(resid 42   and name HD##  )     4.0  2.2 3.4
!assign (resid 32   and name HA    )(resid 32   and name HB2   )     4.0  2.2 1.0
!assign (resid 32   and name HA    )(resid 32   and name HB1   )     4.0  2.2 1.0
assign (resid 32   and name HA    )(resid 32   and name HG    )     4.0  2.2 1.0
assign (resid 32   and name HA    )(resid 32   and name HD##  )     4.0  2.2 2.7
assign (resid 32   and name HA    )(resid 33   and name HN    )     3.0  1.2 0.5
assign (resid 32   and name HA    )(resid 34   and name HN    )     4.0  2.2 1.0
assign (resid 32   and name HA    )(resid 42   and name HA    )     4.0  2.2 1.0
assign (resid 32   and name HA    )(resid 42   and name HB#   )     4.0  2.2 2.0
assign (resid 32   and name HA    )(resid 42   and name HD1#  )     4.0  2.2 2.0
assign (resid 32   and name HA    )(resid 42   and name HD2#  )     4.0  2.2 2.0
assign (resid 32   and name HA    )(resid 43   and name HN    )     4.0  2.2 1.0
!assign (resid 32   and name HB2   )(resid 32   and name HG    )     4.0  2.2 1.0
!assign (resid 32   and name HB1   )(resid 32   and name HG    )     4.0  2.2 1.0
assign (resid 32   and name HB#   )(resid 32   and name HD1#  )     4.0  2.2 3.0
assign (resid 32   and name HB#   )(resid 32   and name HD2#  )     4.0  2.2 3.0
assign (resid 32   and name HB#   )(resid 32   and name HD1#  )     4.0  2.2 3.0
assign (resid 32   and name HB#   )(resid 33   and name HN    )     4.0  2.2 2.0
!assign (resid 32   and name HG    )(resid 32   and name HD##  )     4.0  2.2 3.4
assign (resid 32   and name HG    )(resid 42   and name HD##  )     4.0  2.2 3.4
assign (resid 32   and name HD##  )(resid 33   and name HN    )     4.0  2.2 3.4
assign (resid 32   and name HD1#  )(resid 35   and name HB    )     4.0  2.2 2.0
assign (resid 32   and name HD2#  )(resid 35   and name HB    )     4.0  2.2 2.0
assign (resid 32   and name HD##  )(resid 35   and name HG##  )     4.0  2.2 5.8
assign (resid 32   and name HD1#  )(resid 40   and name HG1#  )     4.0  2.2 3.0
assign (resid 32   and name HD1#  )(resid 40   and name HG2#  )     4.0  2.2 3.0
assign (resid 32   and name HD2#  )(resid 40   and name HG1#  )     4.0  2.2 3.0
assign (resid 32   and name HD2#  )(resid 40   and name HG2#  )     4.0  2.2 3.0
assign (resid 32   and name HD##  )(resid 42   and name HB#   )     4.0  2.2 4.4
assign (resid 32   and name HD##  )(resid 42   and name HD1#  )     4.0  2.2 4.4
assign (resid 32   and name HD##  )(resid 42   and name HD2#  )     4.0  2.2 4.4
!V33
assign (resid 33   and name HN    )(resid 33   and name HA    )     4.0  2.2 1.0
assign (resid 33   and name HN    )(resid 33   and name HB    )     4.0  2.2 1.0
assign (resid 33   and name HN    )(resid 34   and name HN    )     3.0  1.2 0.5
assign (resid 33   and name HN    )(resid 42   and name HA    )     4.0  2.2 1.0
assign (resid 33   and name HN    )(resid 43   and name HN    )     4.0  2.2 1.0
!assign (resid 33   and name HA    )(resid 33   and name HB    )     4.0  2.2 1.0
assign (resid 33   and name HA    )(resid 33   and name HG##  )     4.0  2.2 1.6
assign (resid 33   and name HA    )(resid 34   and name HN    )     4.0  2.2 1.0
!assign (resid 33   and name HB    )(resid 33   and name HG##  )     4.0  2.2 3.4
assign (resid 33   and name HB    )(resid 34   and name HN    )     4.0  2.2 1.0
assign (resid 33   and name HB    )(resid 42   and name HA    )     4.0  2.2 1.0
assign (resid 33   and name HB    )(resid 79   and name HG##  )     4.0  2.2 3.4
assign (resid 33   and name HG##  )(resid 34   and name HN    )     4.0  2.2 3.4
assign (resid 33   and name HG##  )(resid 34   and name HB2   )     4.0  2.2 3.4
assign (resid 33   and name HG##  )(resid 34   and name HB1   )     4.0  2.2 3.4
assign (resid 33   and name HG##  )(resid 41   and name HB2   )     4.0  2.2 3.4
assign (resid 33   and name HG##  )(resid 41   and name HB1   )     4.0  2.2 3.4
assign (resid 33   and name HG##  )(resid 41   and name HG#   )     4.0  2.2 4.4
assign (resid 33   and name HG##  )(resid 41   and name HD#   )     4.0  2.2 4.4
assign (resid 33   and name HG##  )(resid 43   and name HG#   )     4.0  2.2 4.4
assign (resid 33   and name HG##  )(resid 79   and name HN    )     4.0  2.2 3.4
assign (resid 33   and name HG##  )(resid 79   and name HG##  )     4.0  2.2 5.8
!D34
assign (resid 34   and name HN    )(resid 34   and name HA    )     4.0  2.2 1.0
assign (resid 34   and name HN    )(resid 34   and name HB2   )     4.0  2.2 1.0
assign (resid 34   and name HN    )(resid 34   and name HB1   )     4.0  2.2 1.0
assign (resid 34   and name HN    )(resid 35   and name HN    )     4.0  2.2 1.0
assign (resid 34   and name HN    )(resid 40   and name HG1#  )     4.0  2.2 2.0
assign (resid 34   and name HN    )(resid 40   and name HG2#  )     4.0  2.2 2.0
assign (resid 34   and name HN    )(resid 41   and name HN    )     4.0  2.2 1.0
assign (resid 34   and name HN    )(resid 41   and name HB2   )     4.0  2.2 1.0
assign (resid 34   and name HN    )(resid 41   and name HB1   )     4.0  2.2 1.0
assign (resid 34   and name HN    )(resid 42   and name HA    )     4.0  2.2 1.0
!assign (resid 34   and name HA    )(resid 34   and name HB2   )     4.0  2.2 1.0
!assign (resid 34   and name HA    )(resid 34   and name HB1   )     4.0  2.2 1.0
assign (resid 34   and name HA    )(resid 35   and name HN    )     3.0  1.2 0.5
assign (resid 34   and name HA    )(resid 35   and name HG##  )     4.0  2.2 3.4
assign (resid 34   and name HA    )(resid 41   and name HB#   )     4.0  2.2 2.0
assign (resid 34   and name HB2   )(resid 35   and name HN    )     4.0  2.2 1.0
assign (resid 34   and name HB1   )(resid 35   and name HN    )     4.0  2.2 1.0
assign (resid 34   and name HB2   )(resid 41   and name HB2   )     4.0  2.2 1.0
assign (resid 34   and name HB2   )(resid 41   and name HB1   )     4.0  2.2 1.0
assign (resid 34   and name HB1   )(resid 41   and name HB2   )     4.0  2.2 1.0
assign (resid 34   and name HB1   )(resid 41   and name HB1   )     4.0  2.2 1.0
assign (resid 34   and name HB#   )(resid 41   and name HG2   )     4.0  2.2 2.0
assign (resid 34   and name HB#   )(resid 41   and name HG1   )     4.0  2.2 2.0
assign (resid 34   and name HB2   )(resid 41   and name HD#   )     4.0  2.2 2.0
assign (resid 34   and name HB1   )(resid 41   and name HD#   )     4.0  2.2 2.0
!V35
assign (resid 35   and name HN    )(resid 35   and name HA    )     3.0  1.2 0.5
assign (resid 35   and name HN    )(resid 35   and name HB    )     3.0  1.2 0.5
assign (resid 35   and name HN    )(resid 35   and name HG1#  )     4.0  2.2 2.0
assign (resid 35   and name HN    )(resid 35   and name HG2#  )     4.0  2.2 2.0
!assign (resid 35   and name HA    )(resid 35   and name HB    )     4.0  2.2 1.0
assign (resid 35   and name HA    )(resid 35   and name HG1#  )     4.0  2.2 2.0
assign (resid 35   and name HA    )(resid 35   and name HG2#  )     4.0  2.2 2.0
assign (resid 35   and name HA    )(resid 36   and name HN    )     3.0  1.2 0.5
assign (resid 35   and name HA    )(resid 40   and name HA    )     4.0  2.2 1.0
assign (resid 35   and name HA    )(resid 40   and name HG1#  )     4.0  2.2 2.0
assign (resid 35   and name HA    )(resid 40   and name HG2#  )     4.0  2.2 2.0
assign (resid 35   and name HA    )(resid 41   and name HN    )     4.0  2.2 1.0
!assign (resid 35   and name HB    )(resid 35   and name HG1#  )     4.0  2.2 2.0
!assign (resid 35   and name HB    )(resid 35   and name HG2#  )     4.0  2.2 2.0
assign (resid 35   and name HG1#  )(resid 36   and name HN    )     4.0  2.2 2.0
assign (resid 35   and name HG2#  )(resid 36   and name HN    )     4.0  2.2 2.0
assign (resid 35   and name HG1#  )(resid 40   and name HG##  )     4.0  2.2 4.4
assign (resid 35   and name HG2#  )(resid 40   and name HG##  )     4.0  2.2 4.4
!E36
assign (resid 36   and name HN    )(resid 36   and name HA    )     3.0  1.2 0.5
assign (resid 36   and name HN    )(resid 36   and name HB2   )     4.0  2.2 1.0
assign (resid 36   and name HN    )(resid 36   and name HB1   )     4.0  2.2 1.0
assign (resid 36   and name HN    )(resid 36   and name HG#   )     4.0  2.2 2.0
assign (resid 36   and name HN    )(resid 37   and name HN    )     4.0  2.2 1.0
assign (resid 36   and name HN    )(resid 39   and name HN    )     4.0  2.2 1.0
assign (resid 36   and name HN    )(resid 40   and name HA    )     4.0  2.2 1.0
assign (resid 36   and name HN    )(resid 40   and name HG1#  )     4.0  2.2 2.0
assign (resid 36   and name HN    )(resid 40   and name HG2#  )     4.0  2.2 2.0
!assign (resid 36   and name HA    )(resid 36   and name HB2   )     4.0  2.2 1.0
!assign (resid 36   and name HA    )(resid 36   and name HB1   )     4.0  2.2 1.0
assign (resid 36   and name HA    )(resid 36   and name HG#   )     4.0  2.2 2.0
assign (resid 36   and name HA    )(resid 37   and name HN    )     3.0  1.2 0.5
assign (resid 36   and name HA    )(resid 38   and name HN    )     4.0  2.2 1.0
assign (resid 36   and name HA    )(resid 39   and name HN    )     4.0  2.2 1.0
assign (resid 36   and name HA    )(resid 39   and name HD1#  )     4.0  2.2 2.0
!assign (resid 36   and name HB#   )(resid 36   and name HG2   )     4.0  2.2 2.0
!assign (resid 36   and name HB#   )(resid 36   and name HG1   )     4.0  2.2 2.0
assign (resid 36   and name HB#   )(resid 37   and name HN    )     4.0  2.2 2.0
assign (resid 36   and name HB#   )(resid 37   and name HB#   )     4.0  2.2 3.0
assign (resid 36   and name HB#   )(resid 38   and name HN    )     4.0  2.2 2.0
assign (resid 36   and name HB#   )(resid 39   and name HN    )     4.0  2.2 2.0
assign (resid 36   and name HB#   )(resid 39   and name HB    )     3.0  1.2 1.5
assign (resid 36   and name HB2   )(resid 40   and name HA    )     4.0  2.2 1.0
assign (resid 36   and name HB1   )(resid 40   and name HA    )     4.0  2.2 1.0
assign (resid 36   and name HG#   )(resid 37   and name HN    )     4.0  2.2 2.0
assign (resid 36   and name HG#   )(resid 37   and name HB#   )     4.0  2.2 3.0
assign (resid 36   and name HG#   )(resid 39   and name HB    )     4.0  2.2 2.0
assign (resid 36   and name HG2   )(resid 39   and name HD1#  )     4.0  2.2 2.0
assign (resid 36   and name HG1   )(resid 39   and name HD1#  )     4.0  2.2 2.0
!D37
assign (resid 37   and name HN    )(resid 37   and name HA    )     3.0  1.2 0.5
assign (resid 37   and name HN    )(resid 37   and name HB2   )     4.0  2.2 1.0
assign (resid 37   and name HN    )(resid 37   and name HB1   )     4.0  2.2 1.0
assign (resid 37   and name HN    )(resid 38   and name HN    )     4.0  2.2 1.0
assign (resid 37   and name HN    )(resid 39   and name HN    )     4.0  2.2 1.0
!assign (resid 37   and name HA    )(resid 37   and name HB2   )     4.0  2.2 1.0
!assign (resid 37   and name HA    )(resid 37   and name HB1   )     4.0  2.2 1.0
assign (resid 37   and name HA    )(resid 38   and name HN    )     3.0  1.2 0.5
assign (resid 37   and name HB2   )(resid 38   and name HN    )     4.0  2.2 1.0
assign (resid 37   and name HB1   )(resid 38   and name HN    )     4.0  2.2 1.0
assign (resid 37   and name HB2   )(resid 39   and name HN    )     4.0  2.2 1.0
assign (resid 37   and name HB1   )(resid 39   and name HN    )     4.0  2.2 1.0
assign (resid 37   and name HB2   )(resid 39   and name HD1#  )     4.0  2.2 2.0
assign (resid 37   and name HB1   )(resid 39   and name HD1#  )     4.0  2.2 2.0
!G38
assign (resid 38   and name HN    )(resid 38   and name HA2   )     4.0  2.2 1.0
assign (resid 38   and name HN    )(resid 38   and name HA1   )     3.0  1.2 0.5
assign (resid 38   and name HN    )(resid 39   and name HN    )     3.0  1.2 0.5
assign (resid 38   and name HN    )(resid 39   and name HB    )     4.0  2.2 1.0
assign (resid 38   and name HN    )(resid 40   and name HG##  )     4.0  2.2 3.4
assign (resid 38   and name HN    )(resid 74   and name HD1#  )     4.0  2.2 2.0
assign (resid 38   and name HA2   )(resid 39   and name HN    )     4.0  2.2 1.0
assign (resid 38   and name HA1   )(resid 39   and name HN    )     4.0  2.2 1.0
assign (resid 38   and name HA2   )(resid 73   and name HA    )     4.0  2.2 1.0
assign (resid 38   and name HA1   )(resid 73   and name HA    )     4.0  2.2 1.0
assign (resid 38   and name HA#   )(resid 73   and name HG##  )     4.0  2.2 4.4
assign (resid 38   and name HA2   )(resid 74   and name HN    )     4.0  2.2 1.0
assign (resid 38   and name HA1   )(resid 74   and name HN    )     4.0  2.2 1.0
assign (resid 38   and name HA2   )(resid 74   and name HG12  )     4.0  2.2 1.0
assign (resid 38   and name HA2   )(resid 74   and name HG11  )     4.0  2.2 1.0
assign (resid 38   and name HA1   )(resid 74   and name HG12  )     4.0  2.2 1.0
assign (resid 38   and name HA1   )(resid 74   and name HG11  )     4.0  2.2 1.0
assign (resid 38   and name HA2   )(resid 74   and name HD1#  )     4.0  2.2 2.0
assign (resid 38   and name HA1   )(resid 74   and name HD1#  )     4.0  2.2 2.0
!I39
assign (resid 39   and name HN    )(resid 39   and name HA    )     4.0  2.2 1.0
assign (resid 39   and name HN    )(resid 39   and name HB    )     3.0  1.2 0.5
assign (resid 39   and name HN    )(resid 39   and name HG12  )     4.0  2.2 1.0
assign (resid 39   and name HN    )(resid 39   and name HG11  )     4.0  2.2 1.0
assign (resid 39   and name HN    )(resid 39   and name HG2#  )     4.0  2.2 2.0
assign (resid 39   and name HN    )(resid 39   and name HD1#  )     4.0  2.2 2.0
assign (resid 39   and name HN    )(resid 40   and name HN    )     3.0  1.2 0.5
!assign (resid 39   and name HA    )(resid 39   and name HB    )     4.0  2.2 1.0
assign (resid 39   and name HA    )(resid 39   and name HG12  )     4.0  2.2 1.0
assign (resid 39   and name HA    )(resid 39   and name HG11  )     4.0  2.2 1.0
assign (resid 39   and name HA    )(resid 39   and name HG2#  )     4.0  2.2 1.6
assign (resid 39   and name HA    )(resid 39   and name HD1#  )     4.0  2.2 2.0
assign (resid 39   and name HA    )(resid 40   and name HN    )     3.0  1.2 0.5
assign (resid 39   and name HA    )(resid 40   and name HG##  )     4.0  2.2 3.4
assign (resid 39   and name HA    )(resid 74   and name HN    )     4.0  2.2 1.0
assign (resid 39   and name HA    )(resid 75   and name HN    )     4.0  2.2 1.0
assign (resid 39   and name HA    )(resid 75   and name HB#   )     4.0  2.2 2.0
!assign (resid 39   and name HB    )(resid 39   and name HG12  )     4.0  2.2 1.0
!assign (resid 39   and name HB    )(resid 39   and name HG11  )     4.0  2.2 1.0
!assign (resid 39   and name HB    )(resid 39   and name HG2#  )     4.0  2.2 2.0
assign (resid 39   and name HB    )(resid 39   and name HD1#  )     4.0  2.2 2.0
assign (resid 39   and name HB    )(resid 40   and name HN    )     4.0  2.2 1.0
assign (resid 39   and name HG12  )(resid 39   and name HG2#  )     4.0  2.2 2.0
assign (resid 39   and name HG11  )(resid 39   and name HG2#  )     4.0  2.2 2.0
!assign (resid 39   and name HG12  )(resid 39   and name HD1#  )     4.0  2.2 2.0
!assign (resid 39   and name HG11  )(resid 39   and name HD1#  )     4.0  2.2 2.0
assign (resid 39   and name HG1#  )(resid 40   and name HN    )     4.0  2.2 2.0
assign (resid 39   and name HG1#  )(resid 75   and name HN    )     4.0  2.2 2.0
assign (resid 39   and name HG1#  )(resid 75   and name HB#   )     4.0  2.2 3.0
assign (resid 39   and name HG1#  )(resid 75   and name HG#   )     4.0  2.2 3.0
assign (resid 39   and name HG2#  )(resid 40   and name HN    )     4.0  2.2 2.0
assign (resid 39   and name HG2#  )(resid 41   and name HE2   )     4.0  2.2 2.0
assign (resid 39   and name HG2#  )(resid 41   and name HE1   )     4.0  2.2 2.0
assign (resid 39   and name HG2#  )(resid 75   and name HB#   )     4.0  2.2 3.0
assign (resid 39   and name HG2#  )(resid 77   and name HB#   )     4.0  2.2 3.0
assign (resid 39   and name HG2#  )(resid 77   and name HG2   )     4.0  2.2 2.0
assign (resid 39   and name HG2#  )(resid 77   and name HG1   )     4.0  2.2 2.0
assign (resid 39   and name HD1#  )(resid 40   and name HN    )     4.0  2.2 2.0
assign (resid 39   and name HD1#  )(resid 74   and name HB    )     4.0  2.2 2.0
assign (resid 39   and name HD1#  )(resid 75   and name HN    )     4.0  2.2 2.0
assign (resid 39   and name HD1#  )(resid 75   and name HB#   )     4.0  2.2 3.0
!V40
assign (resid 40   and name HN    )(resid 40   and name HA    )     4.0  2.2 1.0
assign (resid 40   and name HN    )(resid 40   and name HB    )     4.0  2.2 1.0
assign (resid 40   and name HN    )(resid 40   and name HG1#  )     4.0  2.2 2.0
assign (resid 40   and name HN    )(resid 40   and name HG2#  )     4.0  2.2 2.0
assign (resid 40   and name HN    )(resid 41   and name HN    )     4.0  2.2 1.0
assign (resid 40   and name HN    )(resid 75   and name HN    )     4.0  2.2 1.0
assign (resid 40   and name HN    )(resid 76   and name HA    )     4.0  2.2 1.0
assign (resid 40   and name HN    )(resid 77   and name HN    )     4.0  2.2 1.0
!assign (resid 40   and name HA    )(resid 40   and name HB    )     4.0  2.2 1.0
assign (resid 40   and name HA    )(resid 40   and name HG1#  )     4.0  2.2 2.0
assign (resid 40   and name HA    )(resid 40   and name HG2#  )     4.0  2.2 2.0
assign (resid 40   and name HA    )(resid 41   and name HN    )     3.0  1.2 0.5
!assign (resid 40   and name HB    )(resid 40   and name HG1#  )     4.0  2.2 2.0
!assign (resid 40   and name HB    )(resid 40   and name HG2#  )     4.0  2.2 2.0
assign (resid 40   and name HB    )(resid 41   and name HN    )     4.0  2.2 1.0
assign (resid 40   and name HB    )(resid 76   and name HA    )     4.0  2.2 1.0
assign (resid 40   and name HG##  )(resid 41   and name HN    )     4.0  2.2 3.4
assign (resid 40   and name HG2#  )(resid 41   and name HN    )     4.0  2.2 2.0
assign (resid 40   and name HG##  )(resid 73   and name HG##  )     4.0  2.2 5.8
assign (resid 40   and name HG##  )(resid 76   and name HG##  )     4.0  2.2 5.8
!K41
assign (resid 41   and name HN    )(resid 41   and name HA    )     4.0  2.2 1.0
assign (resid 41   and name HN    )(resid 41   and name HB2   )     4.0  2.2 1.0
assign (resid 41   and name HN    )(resid 41   and name HB1   )     4.0  2.2 1.0
assign (resid 41   and name HN    )(resid 41   and name HG#   )     4.0  2.2 2.0
!assign (resid 41   and name HA    )(resid 41   and name HB2   )     4.0  2.2 1.0
!assign (resid 41   and name HA    )(resid 41   and name HB1   )     4.0  2.2 1.0
assign (resid 41   and name HA    )(resid 41   and name HG#   )     4.0  2.2 2.0
assign (resid 41   and name HA    )(resid 42   and name HN    )     3.0  1.2 0.5
assign (resid 41   and name HA    )(resid 76   and name HG##  )     4.0  2.2 3.4
assign (resid 41   and name HA    )(resid 77   and name HN    )     4.0  2.2 1.0
!assign (resid 41   and name HB#   )(resid 41   and name HG#   )     4.0  2.2 3.0
assign (resid 41   and name HB2   )(resid 41   and name HD#   )     4.0  2.2 2.0
assign (resid 41   and name HB1   )(resid 41   and name HD#   )     4.0  2.2 2.0
assign (resid 41   and name HB2   )(resid 41   and name HE#   )     4.0  2.2 2.0
assign (resid 41   and name HB1   )(resid 41   and name HE#   )     4.0  2.2 2.0
assign (resid 41   and name HB2   )(resid 42   and name HN    )     4.0  2.2 1.0
assign (resid 41   and name HB1   )(resid 42   and name HN    )     4.0  2.2 1.0
assign (resid 41   and name HB#   )(resid 79   and name HN    )     4.0  2.2 2.0
assign (resid 41   and name HB#   )(resid 79   and name HG1#  )     4.0  2.2 3.0
assign (resid 41   and name HB#   )(resid 79   and name HG2#  )     4.0  2.2 3.0
!assign (resid 41   and name HG2   )(resid 41   and name HD#   )     4.0  2.2 2.0
!assign (resid 41   and name HG1   )(resid 41   and name HD#   )     4.0  2.2 2.0
assign (resid 41   and name HG2   )(resid 41   and name HE#   )     4.0  2.2 2.0
assign (resid 41   and name HG1   )(resid 41   and name HE#   )     4.0  2.2 2.0
assign (resid 41   and name HG2   )(resid 77   and name HB#   )     4.0  2.2 2.0
assign (resid 41   and name HG1   )(resid 77   and name HB#   )     4.0  2.2 2.0
!assign (resid 41   and name HD2   )(resid 41   and name HE#   )     4.0  2.2 2.0
!assign (resid 41   and name HD1   )(resid 41   and name HE#   )     4.0  2.2 2.0
assign (resid 41   and name HE#   )(resid 77   and name HG2   )     4.0  2.2 2.0
assign (resid 41   and name HE#   )(resid 77   and name HG1   )     4.0  2.2 2.0
!L42
assign (resid 42   and name HN    )(resid 42   and name HA    )     4.0  2.2 1.0
assign (resid 42   and name HN    )(resid 42   and name HB#   )     4.0  2.2 2.0
assign (resid 42   and name HN    )(resid 42   and name HD##  )     4.0  2.2 2.7
assign (resid 42   and name HN    )(resid 43   and name HN    )     4.0  2.2 1.0
assign (resid 42   and name HN    )(resid 77   and name HN    )     4.0  2.2 1.0
assign (resid 42   and name HN    )(resid 78   and name HN    )     4.0  2.2 1.0
assign (resid 42   and name HN    )(resid 78   and name HA    )     4.0  2.2 1.0
assign (resid 42   and name HN    )(resid 79   and name HN    )     4.0  2.2 1.0
!assign (resid 42   and name HA    )(resid 42   and name HB#   )     4.0  2.2 2.0
assign (resid 42   and name HA    )(resid 42   and name HD1#  )     4.0  2.2 2.0
assign (resid 42   and name HA    )(resid 42   and name HD2#  )     4.0  2.2 2.0
assign (resid 42   and name HA    )(resid 43   and name HN    )     3.0  1.2 0.5
assign (resid 42   and name HB#   )(resid 42   and name HD##  )     4.0  2.2 4.4
assign (resid 42   and name HB#   )(resid 43   and name HN    )     4.0  2.2 2.0
assign (resid 42   and name HB#   )(resid 76   and name HG##  )     4.0  2.2 4.4
assign (resid 42   and name HB#   )(resid 78   and name HG2   )     4.0  2.2 2.0
assign (resid 42   and name HB#   )(resid 79   and name HN    )     4.0  2.2 2.0
!assign (resid 42   and name HG    )(resid 42   and name HD1#  )     4.0  2.2 2.0
!assign (resid 42   and name HG    )(resid 42   and name HD2#  )     4.0  2.2 2.0
assign (resid 42   and name HD1#  )(resid 43   and name HN    )     4.0  2.2 2.0
assign (resid 42   and name HD2#  )(resid 43   and name HN    )     4.0  2.2 2.0
assign (resid 42   and name HD##  )(resid 78   and name HA    )     4.0  2.2 3.4
assign (resid 42   and name HD##  )(resid 78   and name HB#   )     4.0  2.2 4.4
assign (resid 42   and name HD1#  )(resid 78   and name HG2   )     4.0  2.2 2.0
assign (resid 42   and name HD1#  )(resid 78   and name HG1   )     4.0  2.2 2.0
assign (resid 42   and name HD2#  )(resid 78   and name HG2   )     4.0  2.2 2.0
assign (resid 42   and name HD##  )(resid 78   and name HE22  )     4.0  2.2 3.4
!Q43
assign (resid 43   and name HN    )(resid 43   and name HA    )     4.0  2.2 1.0
assign (resid 43   and name HN    )(resid 43   and name HB#   )     3.0  1.2 1.5
assign (resid 43   and name HN    )(resid 43   and name HG2   )     4.0  2.2 1.0
assign (resid 43   and name HN    )(resid 43   and name HG1   )     4.0  2.2 1.0
assign (resid 43   and name HA    )(resid 44   and name HN    )     2.5  0.7 0.4
assign (resid 43   and name HA    )(resid 79   and name HN    )     3.0  1.2 0.5
!assign (resid 43   and name HB#   )(resid 43   and name HG2   )     4.0  2.2 2.0
!assign (resid 43   and name HB#   )(resid 43   and name HG1   )     4.0  2.2 2.0
assign (resid 43   and name HB#   )(resid 44   and name HN    )     4.0  2.2 2.0
assign (resid 43   and name HB#   )(resid 45   and name HD2   )     4.0  2.2 2.0
assign (resid 43   and name HG2   )(resid 44   and name HN    )     4.0  2.2 1.0
assign (resid 43   and name HG1   )(resid 44   and name HN    )     4.0  2.2 1.0
assign (resid 43   and name HG#   )(resid 79   and name HG1#  )     4.0  2.2 3.0
assign (resid 43   and name HG#   )(resid 79   and name HG2#  )     4.0  2.2 3.0
assign (resid 43   and name HG#   )(resid 81   and name HN    )     4.0  2.2 2.0
!L44
assign (resid 44   and name HN    )(resid 44   and name HB2   )     3.0  1.2 0.5
assign (resid 44   and name HN    )(resid 44   and name HB1   )     3.0  1.2 0.5
assign (resid 44   and name HN    )(resid 44   and name HD##  )     4.0  2.2 2.7
assign (resid 44   and name HN    )(resid 78   and name HE21  )     4.0  2.2 1.0
assign (resid 44   and name HN    )(resid 78   and name HE22  )     4.0  2.2 1.0
assign (resid 44   and name HN    )(resid 79   and name HN    )     4.0  2.2 1.0
assign (resid 44   and name HN    )(resid 79   and name HG##  )     4.0  2.2 3.4
assign (resid 44   and name HN    )(resid 80   and name HA    )     3.0  1.2 0.5
assign (resid 44   and name HN    )(resid 81   and name HN    )     4.0  2.2 1.0
!assign (resid 44   and name HA    )(resid 44   and name HB2   )     4.0  2.2 1.0
!assign (resid 44   and name HA    )(resid 44   and name HB1   )     4.0  2.2 1.0
assign (resid 44   and name HA    )(resid 44   and name HG    )     4.0  2.2 1.0
assign (resid 44   and name HA    )(resid 45   and name HN    )     4.0  2.2 1.0
!assign (resid 44   and name HB#   )(resid 44   and name HG    )     4.0  2.2 2.0
assign (resid 44   and name HB2   )(resid 44   and name HD##  )     4.0  2.2 3.4
assign (resid 44   and name HB1   )(resid 44   and name HD##  )     4.0  2.2 3.4
assign (resid 44   and name HB#   )(resid 45   and name HN    )     4.0  2.2 2.0
assign (resid 44   and name HB2   )(resid 55   and name HG2#  )     4.0  2.2 2.0
assign (resid 44   and name HB1   )(resid 55   and name HG2#  )     4.0  2.2 2.0
assign (resid 44   and name HB#   )(resid 78   and name HG2   )     4.0  2.2 2.0
assign (resid 44   and name HB#   )(resid 78   and name HE21  )     4.0  2.2 2.0
assign (resid 44   and name HB#   )(resid 80   and name HD#   )     4.0  2.2 4.0
!assign (resid 44   and name HG    )(resid 44   and name HD##  )     4.0  2.2 3.4
assign (resid 44   and name HG    )(resid 45   and name HN    )     4.0  2.2 1.0
assign (resid 44   and name HD##  )(resid 45   and name HN    )     4.0  2.2 3.4
assign (resid 44   and name HD##  )(resid 55   and name HB    )     4.0  2.2 3.4
assign (resid 44   and name HD##  )(resid 55   and name HG2#  )     4.0  2.2 4.4
assign (resid 44   and name HD##  )(resid 59   and name HN    )     4.0  2.2 3.4
assign (resid 44   and name HD##  )(resid 59   and name HB2   )     4.0  2.2 3.4
assign (resid 44   and name HD##  )(resid 59   and name HB1   )     4.0  2.2 3.4
assign (resid 44   and name HD##  )(resid 59   and name HE#   )     4.0  2.2 4.4
assign (resid 44   and name HD##  )(resid 78   and name HG2   )     4.0  2.2 3.4
assign (resid 44   and name HD##  )(resid 78   and name HG1   )     4.0  2.2 3.4
assign (resid 44   and name HD##  )(resid 78   and name HE21  )     4.0  2.2 3.4
assign (resid 44   and name HD##  )(resid 80   and name HE#   )     4.0  2.2 5.4
!H45
assign (resid 45   and name HN    )(resid 45   and name HA    )     3.0  1.2 0.5
assign (resid 45   and name HN    )(resid 45   and name HB2   )     4.0  2.2 1.0
assign (resid 45   and name HN    )(resid 45   and name HB1   )     4.0  2.2 1.0
assign (resid 45   and name HN    )(resid 45   and name HD2   )     4.0  2.2 1.0
assign (resid 45   and name HA    )(resid 46   and name HN    )     3.0  1.2 0.5
assign (resid 45   and name HA    )(resid 47   and name HN    )     4.0  2.2 1.0
assign (resid 45   and name HB2   )(resid 45   and name HD2   )     4.0  2.2 1.0
assign (resid 45   and name HB1   )(resid 45   and name HD2   )     4.0  2.2 1.0
assign (resid 45   and name HB2   )(resid 46   and name HN    )     4.0  2.2 1.0
assign (resid 45   and name HB1   )(resid 46   and name HN    )     4.0  2.2 1.0
assign (resid 45   and name HB#   )(resid 81   and name HD##  )     4.0  2.2 4.4
assign (resid 45   and name HD2   )(resid 81   and name HD##  )     4.0  2.2 3.4
!G46
assign (resid 46   and name HN    )(resid 46   and name HA2   )     3.0  1.2 0.5
assign (resid 46   and name HN    )(resid 46   and name HA1   )     3.0  1.2 0.5
assign (resid 46   and name HN    )(resid 55   and name HG2#  )     4.0  2.2 2.0
assign (resid 46   and name HA2   )(resid 47   and name HN    )     4.0  2.2 1.0
assign (resid 46   and name HA1   )(resid 47   and name HN    )     4.0  2.2 1.0
assign (resid 46   and name HA#   )(resid 47   and name HB#   )     4.0  2.2 2.6
assign (resid 46   and name HA#   )(resid 48   and name HN    )     4.0  2.2 2.0
assign (resid 46   and name HA#   )(resid 55   and name HG2#  )     4.0  2.2 3.0
!A47
assign (resid 47   and name HN    )(resid 47   and name HA    )     4.0  2.2 1.0
assign (resid 47   and name HN    )(resid 47   and name HB#   )     4.0  2.2 1.6
assign (resid 47   and name HN    )(resid 48   and name HN    )     3.0  1.2 0.5
!assign (resid 47   and name HA    )(resid 47   and name HB#   )     4.0  2.2 1.2
assign (resid 47   and name HA    )(resid 48   and name HN    )     4.0  2.2 1.0
assign (resid 47   and name HB#   )(resid 48   and name HN    )     4.0  2.2 2.0
assign (resid 47   and name HB#   )(resid 48   and name HB#   )     4.0  2.2 3.0
assign (resid 47   and name HB#   )(resid 49   and name HN    )     4.0  2.2 2.0
!C48
assign (resid 48   and name HN    )(resid 48   and name HA    )     4.0  2.2 1.0
assign (resid 48   and name HN    )(resid 48   and name HB2   )     4.0  2.2 1.0
assign (resid 48   and name HN    )(resid 48   and name HB1   )     4.0  2.2 1.0
!assign (resid 48   and name HA    )(resid 48   and name HB2   )     4.0  2.2 1.0
!assign (resid 48   and name HA    )(resid 48   and name HB1   )     4.0  2.2 1.0
assign (resid 48   and name HA    )(resid 49   and name HN    )     4.0  2.2 1.0
assign (resid 48   and name HA    )(resid 49   and name HA#   )     4.0  2.2 1.6
assign (resid 48   and name HB#   )(resid 49   and name HN    )     4.0  2.2 2.0
!G49
assign (resid 49   and name HN    )(resid 49   and name HA2   )     4.0  2.2 1.0
assign (resid 49   and name HN    )(resid 49   and name HA1   )     4.0  2.2 1.0
assign (resid 49   and name HN    )(resid 50   and name HN    )     4.0  2.2 1.0
assign (resid 49   and name HA2   )(resid 50   and name HN    )     4.0  2.2 1.0
assign (resid 49   and name HA1   )(resid 50   and name HN    )     4.0  2.2 1.0
assign (resid 49   and name HA2   )(resid 50   and name HG2#  )     4.0  2.2 2.0
assign (resid 49   and name HA1   )(resid 50   and name HG2#  )     4.0  2.2 2.0
assign (resid 49   and name HA#   )(resid 51   and name HN    )     4.0  2.2 2.0
!T50
assign (resid 50   and name HN    )(resid 50   and name HA    )     4.0  2.2 1.0
assign (resid 50   and name HN    )(resid 50   and name HB    )     4.0  2.2 1.0
assign (resid 50   and name HN    )(resid 50   and name HG2#  )     4.0  2.2 2.0
assign (resid 50   and name HN    )(resid 51   and name HN    )     4.0  2.2 1.0
!assign (resid 50   and name HA    )(resid 50   and name HB    )     3.0  1.2 0.5
assign (resid 50   and name HA    )(resid 50   and name HG2#  )     4.0  2.2 1.6
assign (resid 50   and name HA    )(resid 51   and name HN    )     4.0  2.2 1.0
!assign (resid 50   and name HB    )(resid 50   and name HG2#  )     4.0  2.2 2.0
assign (resid 50   and name HB    )(resid 51   and name HN    )     4.0  2.2 1.0
assign (resid 50   and name HG2#  )(resid 51   and name HN    )     4.0  2.2 2.0
!C51
assign (resid 51   and name HN    )(resid 52   and name HD#   )     4.0  2.2 2.0
!assign (resid 51   and name HA    )(resid 51   and name HB2   )     4.0  2.2 1.0
!assign (resid 51   and name HA    )(resid 51   and name HB1   )     4.0  2.2 1.0
assign (resid 51   and name HA    )(resid 52   and name HD#   )     4.0  2.2 2.0
!P52
!assign (resid 52   and name HA    )(resid 52   and name HB2   )     4.0  2.2 1.0
!assign (resid 52   and name HA    )(resid 52   and name HB1   )     4.0  2.2 1.0
!assign (resid 52   and name HA    )(resid 52   and name HG2   )     4.0  2.2 1.0
!assign (resid 52   and name HA    )(resid 52   and name HG1   )     4.0  2.2 1.0
!assign (resid 52   and name HA    )(resid 52   and name HD#   )     4.0  2.2 2.0
assign (resid 52   and name HA    )(resid 53   and name HN    )     4.0  2.2 1.0
!assign (resid 52   and name HB2   )(resid 52   and name HG#   )     4.0  2.2 2.0
!assign (resid 52   and name HB1   )(resid 52   and name HG#   )     4.0  2.2 2.0
!assign (resid 52   and name HB2   )(resid 52   and name HD#   )     4.0  2.2 2.0
!assign (resid 52   and name HB1   )(resid 52   and name HD#   )     4.0  2.2 2.0
assign (resid 52   and name HB2   )(resid 54   and name HN    )     4.0  2.2 1.0
assign (resid 52   and name HB1   )(resid 54   and name HN    )     4.0  2.2 1.0
assign (resid 52   and name HB2   )(resid 55   and name HN    )     3.0  1.2 0.5
assign (resid 52   and name HB1   )(resid 55   and name HN    )     3.0  1.2 0.5
!assign (resid 52   and name HG2   )(resid 52   and name HD#   )     4.0  2.2 2.0
!assign (resid 52   and name HG1   )(resid 52   and name HD#   )     4.0  2.2 2.0
assign (resid 52   and name HG#   )(resid 55   and name HB    )     4.0  2.2 2.0
assign (resid 52   and name HD#   )(resid 53   and name HN    )     4.0  2.2 2.0
!S53
assign (resid 53   and name HN    )(resid 53   and name HA    )     4.0  2.2 1.0
assign (resid 53   and name HN    )(resid 53   and name HB#   )     4.0  2.2 2.0
assign (resid 53   and name HN    )(resid 54   and name HN    )     4.0  2.2 1.0
assign (resid 53   and name HN    )(resid 54   and name HA    )     4.0  2.2 1.0
assign (resid 53   and name HN    )(resid 55   and name HN    )     4.0  2.2 1.0
!assign (resid 53   and name HA    )(resid 53   and name HB2   )     4.0  2.2 1.0
!assign (resid 53   and name HA    )(resid 53   and name HB1   )     4.0  2.2 1.0
assign (resid 53   and name HA    )(resid 54   and name HN    )     4.0  2.2 1.0
assign (resid 53   and name HA    )(resid 56   and name HN    )     4.0  2.2 1.0
assign (resid 53   and name HA    )(resid 56   and name HG12  )     4.0  2.2 1.0
assign (resid 53   and name HA    )(resid 56   and name HG11  )     4.0  2.2 1.0
assign (resid 53   and name HA    )(resid 56   and name HD1#  )     4.0  2.2 2.0
assign (resid 53   and name HB#   )(resid 54   and name HN    )     4.0  2.2 2.0
assign (resid 53   and name HB#   )(resid 56   and name HD1#  )     4.0  2.2 3.0
!S54
assign (resid 54   and name HN    )(resid 54   and name HA    )     4.0  2.2 1.0
assign (resid 54   and name HN    )(resid 54   and name HB#   )     4.0  2.2 2.0
assign (resid 54   and name HN    )(resid 55   and name HN    )     3.0  1.2 0.5
assign (resid 54   and name HN    )(resid 56   and name HN    )     4.0  2.2 1.0
!assign (resid 54   and name HA    )(resid 54   and name HB#   )     4.0  2.2 2.0
assign (resid 54   and name HA    )(resid 55   and name HN    )     4.0  2.2 1.0
assign (resid 54   and name HA    )(resid 57   and name HN    )     4.0  2.2 1.0
assign (resid 54   and name HA    )(resid 58   and name HN    )     4.0  2.2 1.0
assign (resid 54   and name HB#   )(resid 55   and name HN    )     4.0  2.2 2.0
assign (resid 54   and name HB#   )(resid 58   and name HD##  )     4.0  2.2 4.4
!T55
assign (resid 55   and name HN    )(resid 55   and name HA    )     4.0  2.2 1.0
assign (resid 55   and name HN    )(resid 55   and name HB    )     4.0  2.2 1.0
assign (resid 55   and name HN    )(resid 55   and name HG2#  )     4.0  2.2 2.0
assign (resid 55   and name HN    )(resid 56   and name HN    )     4.0  2.2 1.0
assign (resid 55   and name HN    )(resid 57   and name HN    )     4.0  2.2 1.0
!assign (resid 55   and name HA    )(resid 55   and name HB    )     4.0  2.2 1.0
assign (resid 55   and name HA    )(resid 55   and name HG2#  )     4.0  2.2 1.6
assign (resid 55   and name HA    )(resid 56   and name HN    )     4.0  2.2 1.0
assign (resid 55   and name HA    )(resid 56   and name HA    )     4.0  2.2 1.0
assign (resid 55   and name HA    )(resid 58   and name HB2   )     4.0  2.2 1.0
assign (resid 55   and name HA    )(resid 58   and name HB1   )     4.0  2.2 1.0
assign (resid 55   and name HA    )(resid 59   and name HN    )     4.0  2.2 1.0
!assign (resid 55   and name HB    )(resid 55   and name HG2#  )     4.0  2.2 2.0
assign (resid 55   and name HB    )(resid 56   and name HN    )     4.0  2.2 1.0
assign (resid 55   and name HB    )(resid 56   and name HG1#  )     4.0  2.2 2.0
assign (resid 55   and name HB    )(resid 56   and name HD1#  )     4.0  2.2 2.0
assign (resid 55   and name HG2#  )(resid 56   and name HN    )     4.0  2.2 2.0
assign (resid 55   and name HG2#  )(resid 58   and name HB#   )     4.0  2.2 3.0
assign (resid 55   and name HG2#  )(resid 59   and name HN    )     4.0  2.2 2.0
assign (resid 55   and name HG2#  )(resid 59   and name HB2   )     4.0  2.2 2.0
assign (resid 55   and name HG2#  )(resid 59   and name HB1   )     4.0  2.2 2.0
assign (resid 55   and name HG2#  )(resid 59   and name HE#   )     4.0  2.2 3.0
assign (resid 55   and name HG2#  )(resid 78   and name HE21  )     4.0  2.2 2.0
assign (resid 55   and name HG2#  )(resid 78   and name HE22  )     4.0  2.2 2.0
assign (resid 55   and name HG2#  )(resid 80   and name HE#   )     4.0  2.2 4.0
!I56
assign (resid 56   and name HN    )(resid 56   and name HA    )     4.0  2.2 1.0
assign (resid 56   and name HN    )(resid 56   and name HB    )     3.0  1.2 0.5
assign (resid 56   and name HN    )(resid 56   and name HG12  )     4.0  2.2 1.0
assign (resid 56   and name HN    )(resid 56   and name HG11  )     4.0  2.2 1.0
assign (resid 56   and name HN    )(resid 56   and name HD1#  )     4.0  2.2 2.0
assign (resid 56   and name HN    )(resid 57   and name HN    )     4.0  2.2 1.0
assign (resid 56   and name HN    )(resid 58   and name HN    )     4.0  2.2 1.0
!assign (resid 56   and name HA    )(resid 56   and name HB    )     4.0  2.2 1.0
assign (resid 56   and name HA    )(resid 56   and name HG12  )     4.0  2.2 1.0
assign (resid 56   and name HA    )(resid 56   and name HG11  )     4.0  2.2 1.0
assign (resid 56   and name HA    )(resid 56   and name HG2#  )     4.0  2.2 1.6
assign (resid 56   and name HA    )(resid 56   and name HD1#  )     4.0  2.2 2.0
assign (resid 56   and name HA    )(resid 59   and name HN    )     4.0  2.2 1.0
assign (resid 56   and name HA    )(resid 59   and name HB2   )     4.0  2.2 1.0
assign (resid 56   and name HA    )(resid 59   and name HB1   )     4.0  2.2 1.0
assign (resid 56   and name HA    )(resid 60   and name HN    )     4.0  2.2 1.0
!assign (resid 56   and name HB    )(resid 56   and name HG12  )     4.0  2.2 1.0
!assign (resid 56   and name HB    )(resid 56   and name HG11  )     4.0  2.2 1.0
!assign (resid 56   and name HB    )(resid 56   and name HG2#  )     4.0  2.2 2.0
assign (resid 56   and name HB    )(resid 56   and name HD1#  )     4.0  2.2 2.0
assign (resid 56   and name HB    )(resid 57   and name HN    )     4.0  2.2 1.0
assign (resid 56   and name HG12  )(resid 56   and name HG2#  )     4.0  2.2 2.0
assign (resid 56   and name HG11  )(resid 56   and name HG2#  )     4.0  2.2 2.0
!assign (resid 56   and name HG12  )(resid 56   and name HD1#  )     4.0  2.2 2.0
!assign (resid 56   and name HG11  )(resid 56   and name HD1#  )     4.0  2.2 2.0
assign (resid 56   and name HG2#  )(resid 57   and name HN    )     4.0  2.2 2.0
assign (resid 56   and name HG2#  )(resid 57   and name HA    )     4.0  2.2 2.0
assign (resid 56   and name HG2#  )(resid 60   and name HN    )     4.0  2.2 2.0
assign (resid 56   and name HG2#  )(resid 60   and name HB#   )     4.0  2.2 3.0
!T57
assign (resid 57   and name HN    )(resid 57   and name HA    )     4.0  2.2 1.0
assign (resid 57   and name HN    )(resid 57   and name HB    )     4.0  2.2 1.0
assign (resid 57   and name HN    )(resid 57   and name HG2#  )     4.0  2.2 2.0
assign (resid 57   and name HN    )(resid 58   and name HN    )     2.5  0.7 0.4
assign (resid 57   and name HN    )(resid 59   and name HN    )     4.0  2.2 1.0
!assign (resid 57   and name HA    )(resid 57   and name HB    )     4.0  2.2 1.0
assign (resid 57   and name HA    )(resid 57   and name HG2#  )     4.0  2.2 1.6
assign (resid 57   and name HA    )(resid 58   and name HN    )     4.0  2.2 1.0
assign (resid 57   and name HA    )(resid 60   and name HN    )     4.0  2.2 1.0
assign (resid 57   and name HA    )(resid 60   and name HB#   )     4.0  2.2 2.0
assign (resid 57   and name HA    )(resid 61   and name HN    )     4.0  2.2 1.0
!assign (resid 57   and name HB    )(resid 57   and name HG2#  )     4.0  2.2 2.0
assign (resid 57   and name HB    )(resid 58   and name HN    )     4.0  2.2 1.0
assign (resid 57   and name HB    )(resid 58   and name HB#   )     4.0  2.2 2.0
assign (resid 57   and name HB    )(resid 58   and name HD##  )     4.0  2.2 3.4
assign (resid 57   and name HG2#  )(resid 58   and name HN    )     4.0  2.2 2.0
assign (resid 57   and name HG2#  )(resid 58   and name HA    )     4.0  2.2 2.0
assign (resid 57   and name HG2#  )(resid 58   and name HB#   )     4.0  2.2 3.0
assign (resid 57   and name HG2#  )(resid 58   and name HD##  )     4.0  2.2 4.4
!L58
assign (resid 58   and name HN    )(resid 58   and name HA    )     4.0  2.2 1.0
assign (resid 58   and name HN    )(resid 58   and name HB2   )     4.0  2.2 1.0
assign (resid 58   and name HN    )(resid 58   and name HB1   )     4.0  2.2 1.0
assign (resid 58   and name HN    )(resid 58   and name HG    )     4.0  2.2 1.0
assign (resid 58   and name HN    )(resid 58   and name HD##  )     4.0  2.2 2.7
assign (resid 58   and name HN    )(resid 59   and name HN    )     4.0  2.2 1.0
!assign (resid 58   and name HA    )(resid 58   and name HB2   )     4.0  2.2 1.0
!assign (resid 58   and name HA    )(resid 58   and name HB1   )     4.0  2.2 1.0
assign (resid 58   and name HA    )(resid 58   and name HG    )     4.0  2.2 1.0
assign (resid 58   and name HA    )(resid 58   and name HD##  )     4.0  2.2 2.7
assign (resid 58   and name HA    )(resid 59   and name HN    )     4.0  2.2 1.0
assign (resid 58   and name HA    )(resid 60   and name HN    )     4.0  2.2 1.0
assign (resid 58   and name HA    )(resid 61   and name HN    )     4.0  2.2 1.0
assign (resid 58   and name HA    )(resid 62   and name HN    )     4.0  2.2 1.0
!assign (resid 58   and name HB2   )(resid 58   and name HG    )     4.0  2.2 1.0
!assign (resid 58   and name HB1   )(resid 58   and name HG    )     4.0  2.2 1.0
assign (resid 58   and name HB2   )(resid 58   and name HD##  )     4.0  2.2 3.4
assign (resid 58   and name HB1   )(resid 58   and name HD##  )     4.0  2.2 3.4
assign (resid 58   and name HB2   )(resid 59   and name HN    )     4.0  2.2 1.0
assign (resid 58   and name HB1   )(resid 59   and name HN    )     4.0  2.2 1.0
!assign (resid 58   and name HG    )(resid 58   and name HD##  )     4.0  2.2 3.4
assign (resid 58   and name HG    )(resid 59   and name HN    )     4.0  2.2 1.0
assign (resid 58   and name HG    )(resid 62   and name HD1#  )     4.0  2.2 2.0
assign (resid 58   and name HD##  )(resid 59   and name HN    )     4.0  2.2 3.4
assign (resid 58   and name HD##  )(resid 61   and name HN    )     4.0  2.2 3.4
!K59
assign (resid 59   and name HN    )(resid 59   and name HA    )     4.0  2.2 1.0
assign (resid 59   and name HN    )(resid 59   and name HB2   )     4.0  2.2 1.0
assign (resid 59   and name HN    )(resid 59   and name HB1   )     4.0  2.2 1.0
assign (resid 59   and name HN    )(resid 59   and name HG2   )     4.0  2.2 1.0
assign (resid 59   and name HN    )(resid 59   and name HG1   )     4.0  2.2 1.0
assign (resid 59   and name HN    )(resid 59   and name HD#   )     4.0  2.2 2.0
assign (resid 59   and name HN    )(resid 60   and name HN    )     3.0  1.2 0.5
assign (resid 59   and name HN    )(resid 60   and name HB#   )     4.0  2.2 2.0
assign (resid 59   and name HN    )(resid 61   and name HN    )     4.0  2.2 1.0
assign (resid 59   and name HN    )(resid 62   and name HD1#  )     4.0  2.2 2.0
!assign (resid 59   and name HA    )(resid 59   and name HB2   )     4.0  2.2 1.0
!assign (resid 59   and name HA    )(resid 59   and name HB1   )     4.0  2.2 1.0
assign (resid 59   and name HA    )(resid 59   and name HG2   )     4.0  2.2 1.0
assign (resid 59   and name HA    )(resid 59   and name HG1   )     4.0  2.2 1.0
assign (resid 59   and name HA    )(resid 60   and name HN    )     4.0  2.2 1.0
assign (resid 59   and name HA    )(resid 60   and name HA    )     4.0  2.2 1.0
assign (resid 59   and name HA    )(resid 62   and name HN    )     4.0  2.2 1.0
assign (resid 59   and name HA    )(resid 62   and name HB    )     4.0  2.2 1.0
assign (resid 59   and name HA    )(resid 62   and name HG1#  )     4.0  2.2 2.0
assign (resid 59   and name HA    )(resid 62   and name HD1#  )     4.0  2.2 2.0
!assign (resid 59   and name HB2   )(resid 59   and name HG2   )     4.0  2.2 1.0
!assign (resid 59   and name HB2   )(resid 59   and name HG1   )     4.0  2.2 1.0
!assign (resid 59   and name HB1   )(resid 59   and name HG2   )     4.0  2.2 1.0
!assign (resid 59   and name HB1   )(resid 59   and name HG1   )     4.0  2.2 1.0
assign (resid 59   and name HB#   )(resid 59   and name HE2   )     4.0  2.2 2.0
assign (resid 59   and name HB#   )(resid 59   and name HE1   )     4.0  2.2 2.0
assign (resid 59   and name HB2   )(resid 60   and name HN    )     4.0  2.2 1.0
assign (resid 59   and name HB1   )(resid 60   and name HN    )     4.0  2.2 1.0
assign (resid 59   and name HB#   )(resid 60   and name HB#   )     4.0  2.2 3.0
!assign (resid 59   and name HG2   )(resid 59   and name HD#   )     4.0  2.2 2.0
!assign (resid 59   and name HG1   )(resid 59   and name HD#   )     4.0  2.2 2.0
assign (resid 59   and name HG2   )(resid 59   and name HE2   )     4.0  2.2 1.0
assign (resid 59   and name HG2   )(resid 59   and name HE1   )     4.0  2.2 1.0
assign (resid 59   and name HG1   )(resid 59   and name HE2   )     4.0  2.2 1.0
assign (resid 59   and name HG1   )(resid 59   and name HE1   )     4.0  2.2 1.0
!assign (resid 59   and name HD#   )(resid 59   and name HE2   )     4.0  2.2 2.0
!assign (resid 59   and name HD#   )(resid 59   and name HE1   )     4.0  2.2 2.0
assign (resid 59   and name HE#   )(resid 78   and name HN    )     4.0  2.2 2.0
assign (resid 59   and name HE2   )(resid 78   and name HB#   )     4.0  2.2 2.0
assign (resid 59   and name HE1   )(resid 78   and name HB#   )     4.0  2.2 2.0
!A60
assign (resid 60   and name HN    )(resid 60   and name HA    )     4.0  2.2 1.0
assign (resid 60   and name HN    )(resid 60   and name HB#   )     4.0  2.2 1.6
assign (resid 60   and name HN    )(resid 61   and name HN    )     2.5  0.7 0.4
!assign (resid 60   and name HA    )(resid 60   and name HB#   )     4.0  2.2 1.2
assign (resid 60   and name HA    )(resid 61   and name HN    )     4.0  2.2 1.0
assign (resid 60   and name HA    )(resid 63   and name HN    )     4.0  2.2 1.0
assign (resid 60   and name HA    )(resid 63   and name HB#   )     4.0  2.2 2.0
assign (resid 60   and name HA    )(resid 63   and name HG#   )     4.0  2.2 2.0
assign (resid 60   and name HA    )(resid 64   and name HN    )     4.0  2.2 1.0
assign (resid 60   and name HB#   )(resid 61   and name HN    )     4.0  2.2 2.0
assign (resid 60   and name HB#   )(resid 61   and name HA2   )     4.0  2.2 2.0
assign (resid 60   and name HB#   )(resid 61   and name HA1   )     4.0  2.2 2.0
assign (resid 60   and name HB#   )(resid 63   and name HN    )     4.0  2.2 2.0
assign (resid 60   and name HB#   )(resid 63   and name HB#   )     4.0  2.2 3.0
!G61
assign (resid 61   and name HN    )(resid 61   and name HA2   )     3.0  1.2 0.5
assign (resid 61   and name HN    )(resid 61   and name HA1   )     3.0  1.2 0.5
assign (resid 61   and name HN    )(resid 62   and name HN    )     2.5  0.7 0.4
assign (resid 61   and name HN    )(resid 62   and name HG12  )     4.0  2.2 1.0
assign (resid 61   and name HN    )(resid 62   and name HG11  )     4.0  2.2 1.0
assign (resid 61   and name HN    )(resid 62   and name HD1#  )     4.0  2.2 2.0
assign (resid 61   and name HN    )(resid 63   and name HN    )     4.0  2.2 1.0
assign (resid 61   and name HA#   )(resid 62   and name HN    )     4.0  2.2 1.6
assign (resid 61   and name HA#   )(resid 64   and name HN    )     4.0  2.2 2.0
assign (resid 61   and name HA2   )(resid 64   and name HB#   )     4.0  2.2 2.0
assign (resid 61   and name HA1   )(resid 64   and name HB#   )     4.0  2.2 2.0
!I62
assign (resid 62   and name HN    )(resid 62   and name HA    )     4.0  2.2 1.0
assign (resid 62   and name HN    )(resid 62   and name HB    )     3.0  1.2 0.5
assign (resid 62   and name HN    )(resid 62   and name HG12  )     4.0  2.2 1.0
assign (resid 62   and name HN    )(resid 62   and name HG11  )     4.0  2.2 1.0
assign (resid 62   and name HN    )(resid 62   and name HG2#  )     4.0  2.2 2.0
assign (resid 62   and name HN    )(resid 62   and name HD1#  )     4.0  2.2 2.0
assign (resid 62   and name HN    )(resid 63   and name HN    )     4.0  2.2 1.0
assign (resid 62   and name HN    )(resid 63   and name HB#   )     4.0  2.2 2.0
assign (resid 62   and name HN    )(resid 65   and name HN    )     4.0  2.2 1.0
assign (resid 62   and name HN    )(resid 65   and name HB#   )     4.0  2.2 2.0
!assign (resid 62   and name HA    )(resid 62   and name HB    )     4.0  2.2 1.0
assign (resid 62   and name HA    )(resid 62   and name HG12  )     4.0  2.2 1.0
assign (resid 62   and name HA    )(resid 62   and name HG11  )     4.0  2.2 1.0
assign (resid 62   and name HA    )(resid 62   and name HG2#  )     4.0  2.2 1.6
assign (resid 62   and name HA    )(resid 62   and name HD1#  )     4.0  2.2 2.0
assign (resid 62   and name HA    )(resid 63   and name HN    )     4.0  2.2 1.0
assign (resid 62   and name HA    )(resid 65   and name HN    )     4.0  2.2 1.0
assign (resid 62   and name HA    )(resid 65   and name HB#   )     4.0  2.2 2.0
assign (resid 62   and name HA    )(resid 66   and name HN    )     4.0  2.2 1.0
!assign (resid 62   and name HB    )(resid 62   and name HG1#  )     4.0  2.2 2.0
!assign (resid 62   and name HB    )(resid 62   and name HG2#  )     4.0  2.2 2.0
assign (resid 62   and name HB    )(resid 62   and name HD1#  )     4.0  2.2 2.0
assign (resid 62   and name HB    )(resid 63   and name HN    )     4.0  2.2 1.0
assign (resid 62   and name HB    )(resid 66   and name HD1#  )     4.0  2.2 2.0
assign (resid 62   and name HB    )(resid 66   and name HD2#  )     4.0  2.2 2.0
assign (resid 62   and name HG1#  )(resid 62   and name HG2#  )     4.0  2.2 3.0
!assign (resid 62   and name HG1#  )(resid 62   and name HD1#  )     4.0  2.2 3.0
assign (resid 62   and name HG2#  )(resid 62   and name HD1#  )     4.0  2.2 3.0
assign (resid 62   and name HG2#  )(resid 63   and name HN    )     4.0  2.2 2.0
assign (resid 62   and name HG2#  )(resid 66   and name HN    )     4.0  2.2 2.0
assign (resid 62   and name HD1#  )(resid 63   and name HN    )     4.0  2.2 2.0
!E63
assign (resid 63   and name HN    )(resid 63   and name HA    )     4.0  2.2 1.0
assign (resid 63   and name HN    )(resid 63   and name HB#   )     2.5  0.7 1.4
assign (resid 63   and name HN    )(resid 63   and name HG#   )     4.0  2.2 2.0
assign (resid 63   and name HN    )(resid 64   and name HN    )     4.0  2.2 1.0
assign (resid 63   and name HN    )(resid 65   and name HN    )     4.0  2.2 1.0
assign (resid 63   and name HN    )(resid 66   and name HD##  )     4.0  2.2 3.4
!assign (resid 63   and name HA    )(resid 63   and name HB#   )     4.0  2.2 2.0
assign (resid 63   and name HA    )(resid 63   and name HG#   )     4.0  2.2 2.0
assign (resid 63   and name HA    )(resid 64   and name HN    )     4.0  2.2 1.0
assign (resid 63   and name HA    )(resid 65   and name HN    )     4.0  2.2 1.0
assign (resid 63   and name HA    )(resid 66   and name HN    )     4.0  2.2 1.0
assign (resid 63   and name HA    )(resid 66   and name HB2   )     4.0  2.2 1.0
assign (resid 63   and name HA    )(resid 66   and name HB1   )     4.0  2.2 1.0
assign (resid 63   and name HA    )(resid 66   and name HD##  )     4.0  2.2 3.4
assign (resid 63   and name HA    )(resid 67   and name HN    )     4.0  2.2 1.0
assign (resid 63   and name HB#   )(resid 64   and name HN    )     3.0  1.2 1.5
assign (resid 63   and name HB#   )(resid 66   and name HD##  )     4.0  2.2 4.4
assign (resid 63   and name HG#   )(resid 64   and name HN    )     4.0  2.2 2.0
assign (resid 63   and name HG#   )(resid 67   and name HN    )     4.0  2.2 2.0
assign (resid 63   and name HG#   )(resid 67   and name HD2   )     4.0  2.2 2.0
assign (resid 63   and name HG#   )(resid 76   and name HN    )     4.0  2.2 2.0
assign (resid 63   and name HG#   )(resid 76   and name HG##  )     4.0  2.2 4.4
!R64
assign (resid 64   and name HN    )(resid 64   and name HA    )     3.0  1.2 0.5
assign (resid 64   and name HN    )(resid 64   and name HB2   )     4.0  2.2 1.0
assign (resid 64   and name HN    )(resid 64   and name HB1   )     4.0  2.2 1.0
assign (resid 64   and name HN    )(resid 64   and name HG2   )     4.0  2.2 1.0
assign (resid 64   and name HN    )(resid 64   and name HG1   )     4.0  2.2 1.0
assign (resid 64   and name HN    )(resid 64   and name HD#   )     4.0  2.2 2.0
assign (resid 64   and name HN    )(resid 65   and name HN    )     3.0  1.2 0.5
assign (resid 64   and name HN    )(resid 65   and name HB#   )     4.0  2.2 2.0
assign (resid 64   and name HN    )(resid 66   and name HN    )     4.0  2.2 1.0
assign (resid 64   and name HN    )(resid 67   and name HN    )     4.0  2.2 1.0
!assign (resid 64   and name HA    )(resid 64   and name HB2   )     4.0  2.2 1.0
!assign (resid 64   and name HA    )(resid 64   and name HB1   )     4.0  2.2 1.0
assign (resid 64   and name HA    )(resid 64   and name HG2   )     4.0  2.2 1.0
assign (resid 64   and name HA    )(resid 64   and name HG1   )     4.0  2.2 1.0
assign (resid 64   and name HA    )(resid 64   and name HD#   )     4.0  2.2 2.0
assign (resid 64   and name HA    )(resid 65   and name HN    )     4.0  2.2 1.0
assign (resid 64   and name HA    )(resid 67   and name HN    )     4.0  2.2 1.0
assign (resid 64   and name HA    )(resid 67   and name HB2   )     4.0  2.2 1.0
assign (resid 64   and name HA    )(resid 67   and name HB1   )     4.0  2.2 1.0
assign (resid 64   and name HA    )(resid 67   and name HD2   )     4.0  2.2 1.0
assign (resid 64   and name HA    )(resid 68   and name HN    )     4.0  2.2 1.0
assign (resid 64   and name HB#   )(resid 64   and name HD#   )     4.0  2.2 3.0
assign (resid 64   and name HB#   )(resid 64   and name HE    )     4.0  2.2 2.0
assign (resid 64   and name HB#   )(resid 65   and name HN    )     3.0  1.2 1.5
!assign (resid 64   and name HG2   )(resid 64   and name HD#   )     4.0  2.2 2.0
!assign (resid 64   and name HG1   )(resid 64   and name HD#   )     4.0  2.2 2.0
assign (resid 64   and name HG#   )(resid 64   and name HE    )     4.0  2.2 2.0
!assign (resid 64   and name HD#   )(resid 64   and name HE    )     4.0  2.2 2.0
assign (resid 64   and name HD#   )(resid 65   and name HN    )     4.0  2.2 2.0
!A65
assign (resid 65   and name HN    )(resid 65   and name HA    )     4.0  2.2 1.0
assign (resid 65   and name HN    )(resid 65   and name HB#   )     4.0  2.2 1.6
assign (resid 65   and name HN    )(resid 66   and name HN    )     3.0  1.2 0.5
assign (resid 65   and name HN    )(resid 66   and name HD##  )     4.0  2.2 3.4
assign (resid 65   and name HN    )(resid 67   and name HN    )     4.0  2.2 1.0
assign (resid 65   and name HN    )(resid 68   and name HN    )     4.0  2.2 1.0
!assign (resid 65   and name HA    )(resid 65   and name HB#   )     4.0  2.2 1.2
assign (resid 65   and name HA    )(resid 66   and name HN    )     4.0  2.2 1.0
assign (resid 65   and name HA    )(resid 66   and name HA    )     4.0  2.2 1.0
assign (resid 65   and name HA    )(resid 68   and name HN    )     4.0  2.2 1.0
assign (resid 65   and name HA    )(resid 68   and name HB2   )     4.0  2.2 1.0
assign (resid 65   and name HA    )(resid 68   and name HB1   )     4.0  2.2 1.0
assign (resid 65   and name HB#   )(resid 66   and name HN    )     4.0  2.2 2.0
assign (resid 65   and name HB#   )(resid 66   and name HA    )     4.0  2.2 2.0
assign (resid 65   and name HB#   )(resid 66   and name HG    )     4.0  2.2 2.0
assign (resid 65   and name HB#   )(resid 66   and name HD##  )     4.0  2.2 4.4
assign (resid 65   and name HB#   )(resid 67   and name HN    )     4.0  2.2 2.0
assign (resid 65   and name HB#   )(resid 69   and name HN    )     4.0  2.2 2.0
assign (resid 65   and name HB#   )(resid 69   and name HG#   )     4.0  2.2 3.0
!L66
assign (resid 66   and name HN    )(resid 66   and name HA    )     4.0  2.2 1.0
assign (resid 66   and name HN    )(resid 66   and name HB2   )     4.0  2.2 1.0
assign (resid 66   and name HN    )(resid 66   and name HB1   )     4.0  2.2 1.0
assign (resid 66   and name HN    )(resid 66   and name HG    )     4.0  2.2 1.0
assign (resid 66   and name HN    )(resid 66   and name HD##  )     4.0  2.2 2.7
assign (resid 66   and name HN    )(resid 67   and name HB#   )     4.0  2.2 2.0
!assign (resid 66   and name HA    )(resid 66   and name HB2   )     4.0  2.2 1.0
!assign (resid 66   and name HA    )(resid 66   and name HB1   )     4.0  2.2 1.0
assign (resid 66   and name HA    )(resid 66   and name HG    )     4.0  2.2 1.0
assign (resid 66   and name HA    )(resid 66   and name HD1#  )     4.0  2.2 2.0
assign (resid 66   and name HA    )(resid 66   and name HD2#  )     4.0  2.2 2.0
assign (resid 66   and name HA    )(resid 69   and name HN    )     4.0  2.2 1.0
assign (resid 66   and name HA    )(resid 69   and name HB2   )     4.0  2.2 1.0
assign (resid 66   and name HA    )(resid 69   and name HB1   )     4.0  2.2 1.0
assign (resid 66   and name HA    )(resid 70   and name HN    )     4.0  2.2 1.0
assign (resid 66   and name HA    )(resid 70   and name HB    )     4.0  2.2 1.0
assign (resid 66   and name HA    )(resid 70   and name HG##  )     4.0  2.2 3.4
!assign (resid 66   and name HB#   )(resid 66   and name HG    )     4.0  2.2 2.0
assign (resid 66   and name HB2   )(resid 66   and name HD1#  )     4.0  2.2 2.0
assign (resid 66   and name HB2   )(resid 66   and name HD2#  )     4.0  2.2 2.0
assign (resid 66   and name HB1   )(resid 66   and name HD1#  )     4.0  2.2 2.0
assign (resid 66   and name HB1   )(resid 66   and name HD2#  )     4.0  2.2 2.0
assign (resid 66   and name HB2   )(resid 67   and name HN    )     4.0  2.2 1.0
assign (resid 66   and name HB1   )(resid 67   and name HN    )     4.0  2.2 1.0
assign (resid 66   and name HB2   )(resid 67   and name HD2   )     4.0  2.2 1.0
assign (resid 66   and name HB1   )(resid 67   and name HD2   )     4.0  2.2 1.0
assign (resid 66   and name HB#   )(resid 70   and name HG##  )     4.0  2.2 4.4
assign (resid 66   and name HB#   )(resid 73   and name HG##  )     4.0  2.2 4.4
!assign (resid 66   and name HG    )(resid 66   and name HD##  )     4.0  2.2 3.4
assign (resid 66   and name HD##  )(resid 67   and name HN    )     4.0  2.2 3.4
assign (resid 66   and name HD##  )(resid 69   and name HB#   )     4.0  2.2 4.4
assign (resid 66   and name HD##  )(resid 70   and name HB    )     4.0  2.2 3.4
!H67
assign (resid 67   and name HN    )(resid 67   and name HA    )     4.0  2.2 1.0
assign (resid 67   and name HN    )(resid 67   and name HB2   )     4.0  2.2 1.0
assign (resid 67   and name HN    )(resid 67   and name HB1   )     4.0  2.2 1.0
assign (resid 67   and name HN    )(resid 67   and name HD2   )     4.0  2.2 1.0
assign (resid 67   and name HN    )(resid 68   and name HN    )     3.0  1.2 0.5
assign (resid 67   and name HN    )(resid 73   and name HG1#  )     4.0  2.2 2.0
assign (resid 67   and name HN    )(resid 73   and name HG2#  )     4.0  2.2 2.0
!assign (resid 67   and name HA    )(resid 67   and name HB2   )     4.0  2.2 1.0
!assign (resid 67   and name HA    )(resid 67   and name HB1   )     4.0  2.2 1.0
assign (resid 67   and name HA    )(resid 67   and name HD2   )     4.0  2.2 1.0
assign (resid 67   and name HA    )(resid 68   and name HN    )     4.0  2.2 1.0
assign (resid 67   and name HA    )(resid 73   and name HG1#  )     4.0  2.2 2.0
assign (resid 67   and name HA    )(resid 73   and name HG2#  )     4.0  2.2 2.0
assign (resid 67   and name HB2   )(resid 67   and name HD2   )     4.0  2.2 1.0
assign (resid 67   and name HB1   )(resid 67   and name HD2   )     4.0  2.2 1.0
assign (resid 67   and name HB2   )(resid 68   and name HN    )     4.0  2.2 1.0
assign (resid 67   and name HB1   )(resid 68   and name HN    )     4.0  2.2 1.0
assign (resid 67   and name HD2   )(resid 73   and name HG1#  )     4.0  2.2 2.0
assign (resid 67   and name HD2   )(resid 73   and name HG2#  )     4.0  2.2 2.0
!E68
assign (resid 68   and name HN    )(resid 68   and name HA    )     3.0  1.2 0.5
assign (resid 68   and name HN    )(resid 68   and name HB2   )     4.0  2.2 1.0
assign (resid 68   and name HN    )(resid 68   and name HB1   )     4.0  2.2 1.0
assign (resid 68   and name HN    )(resid 68   and name HG#   )     4.0  2.2 2.0
assign (resid 68   and name HN    )(resid 69   and name HN    )     3.0  1.2 0.5
!assign (resid 68   and name HA    )(resid 68   and name HB2   )     4.0  2.2 1.0
!assign (resid 68   and name HA    )(resid 68   and name HB1   )     4.0  2.2 1.0
assign (resid 68   and name HA    )(resid 68   and name HG2   )     4.0  2.2 1.0
assign (resid 68   and name HA    )(resid 68   and name HG1   )     4.0  2.2 1.0
assign (resid 68   and name HA    )(resid 69   and name HN    )     4.0  2.2 1.0
!assign (resid 68   and name HB2   )(resid 68   and name HG#   )     4.0  2.2 2.0
!assign (resid 68   and name HB1   )(resid 68   and name HG#   )     4.0  2.2 2.0
assign (resid 68   and name HB#   )(resid 69   and name HN    )     4.0  2.2 2.0
!E69
assign (resid 69   and name HN    )(resid 69   and name HA    )     4.0  2.2 1.0
assign (resid 69   and name HN    )(resid 69   and name HB2   )     4.0  2.2 1.0
assign (resid 69   and name HN    )(resid 69   and name HB1   )     4.0  2.2 1.0
assign (resid 69   and name HN    )(resid 69   and name HG#   )     4.0  2.2 2.0
assign (resid 69   and name HN    )(resid 70   and name HN    )     3.0  1.2 0.5
assign (resid 69   and name HN    )(resid 70   and name HG##  )     4.0  2.2 3.4
!assign (resid 69   and name HA    )(resid 69   and name HB2   )     4.0  2.2 1.0
!assign (resid 69   and name HA    )(resid 69   and name HB1   )     4.0  2.2 1.0
assign (resid 69   and name HA    )(resid 69   and name HG2   )     4.0  2.2 1.0
assign (resid 69   and name HA    )(resid 69   and name HG1   )     4.0  2.2 1.0
assign (resid 69   and name HA    )(resid 70   and name HN    )     4.0  2.2 1.0
!assign (resid 69   and name HB2   )(resid 69   and name HG#   )     4.0  2.2 2.0
!assign (resid 69   and name HB1   )(resid 69   and name HG#   )     4.0  2.2 2.0
assign (resid 69   and name HB2   )(resid 70   and name HN    )     4.0  2.2 1.0
assign (resid 69   and name HB1   )(resid 70   and name HN    )     4.0  2.2 1.0
assign (resid 69   and name HB#   )(resid 70   and name HG1#  )     4.0  2.2 3.0
assign (resid 69   and name HB#   )(resid 70   and name HG2#  )     4.0  2.2 3.0
assign (resid 69   and name HG#   )(resid 70   and name HN    )     4.0  2.2 2.0
assign (resid 69   and name HG#   )(resid 70   and name HG##  )     4.0  2.2 4.4
!V70
assign (resid 70   and name HN    )(resid 70   and name HA    )     4.0  2.2 1.0
assign (resid 70   and name HN    )(resid 70   and name HB    )     3.0  1.2 0.5
assign (resid 70   and name HN    )(resid 70   and name HG1#  )     4.0  2.2 2.0
assign (resid 70   and name HN    )(resid 70   and name HG##  )     4.0  2.2 2.7
assign (resid 70   and name HN    )(resid 71   and name HG2   )     4.0  2.2 1.0
assign (resid 70   and name HN    )(resid 71   and name HG1   )     4.0  2.2 1.0
assign (resid 70   and name HN    )(resid 71   and name HD#   )     4.0  2.2 2.0
!assign (resid 70   and name HA    )(resid 70   and name HB    )     4.0  2.2 1.0
assign (resid 70   and name HA    )(resid 70   and name HG1#  )     4.0  2.2 2.0
assign (resid 70   and name HA    )(resid 70   and name HG2#  )     4.0  2.2 2.0
assign (resid 70   and name HA    )(resid 71   and name HG2   )     4.0  2.2 1.0
assign (resid 70   and name HA    )(resid 71   and name HG1   )     4.0  2.2 1.0
assign (resid 70   and name HA    )(resid 71   and name HD#   )     4.0  2.2 2.0
!assign (resid 70   and name HB    )(resid 70   and name HG1#  )     4.0  2.2 2.0
!assign (resid 70   and name HB    )(resid 70   and name HG2#  )     4.0  2.2 2.0
assign (resid 70   and name HB    )(resid 73   and name HG##  )     4.0  2.2 3.4
assign (resid 70   and name HG##  )(resid 71   and name HD#   )     4.0  2.2 4.4
assign (resid 70   and name HG##  )(resid 73   and name HN    )     4.0  2.2 3.4
assign (resid 70   and name HG##  )(resid 73   and name HG##  )     4.0  2.2 5.8
!P71
!assign (resid 71   and name HA    )(resid 71   and name HB2   )     4.0  2.2 1.0
!assign (resid 71   and name HA    )(resid 71   and name HB1   )     4.0  2.2 1.0
!assign (resid 71   and name HA    )(resid 71   and name HG2   )     4.0  2.2 1.0
!assign (resid 71   and name HA    )(resid 71   and name HG1   )     4.0  2.2 1.0
!assign (resid 71   and name HA    )(resid 71   and name HD#   )     4.0  2.2 2.0
assign (resid 71   and name HA    )(resid 72   and name HN    )     2.5  0.7 0.4
assign (resid 71   and name HA    )(resid 72   and name HA#   )     4.0  2.2 1.6
assign (resid 71   and name HA    )(resid 73   and name HN    )     4.0  2.2 1.0
assign (resid 71   and name HA    )(resid 73   and name HG##  )     4.0  2.2 3.4
!assign (resid 71   and name HB2   )(resid 71   and name HG#   )     4.0  2.2 2.0
!assign (resid 71   and name HB1   )(resid 71   and name HG#   )     4.0  2.2 2.0
!assign (resid 71   and name HB2   )(resid 71   and name HD#   )     4.0  2.2 2.0
!assign (resid 71   and name HB1   )(resid 71   and name HD#   )     4.0  2.2 2.0
assign (resid 71   and name HB2   )(resid 72   and name HN    )     4.0  2.2 1.0
assign (resid 71   and name HB1   )(resid 72   and name HN    )     4.0  2.2 1.0
!assign (resid 71   and name HG2   )(resid 71   and name HD#   )     4.0  2.2 2.0
!assign (resid 71   and name HG1   )(resid 71   and name HD#   )     4.0  2.2 2.0
!G72
assign (resid 72   and name HN    )(resid 72   and name HA2   )     3.0  1.2 0.5
assign (resid 72   and name HN    )(resid 72   and name HA1   )     3.0  1.2 0.5
assign (resid 72   and name HN    )(resid 73   and name HN    )     3.0  1.2 0.5
assign (resid 72   and name HN    )(resid 73   and name HG##  )     4.0  2.2 3.4
assign (resid 72   and name HA2   )(resid 73   and name HN    )     4.0  2.2 1.0
assign (resid 72   and name HA1   )(resid 73   and name HN    )     4.0  2.2 1.0
assign (resid 72   and name HA#   )(resid 73   and name HG##  )     4.0  2.2 4.0
!V73
assign (resid 73   and name HN    )(resid 73   and name HA    )     4.0  2.2 1.0
assign (resid 73   and name HN    )(resid 73   and name HB    )     3.0  1.2 0.5
assign (resid 73   and name HN    )(resid 73   and name HG##  )     4.0  2.2 2.7
assign (resid 73   and name HN    )(resid 73   and name HG2#  )     4.0  2.2 2.0
assign (resid 73   and name HN    )(resid 74   and name HN    )     4.0  2.2 1.0
!assign (resid 73   and name HA    )(resid 73   and name HB    )     4.0  2.2 1.0
assign (resid 73   and name HA    )(resid 73   and name HG1#  )     4.0  2.2 2.0
assign (resid 73   and name HA    )(resid 73   and name HG2#  )     4.0  2.2 2.0
assign (resid 73   and name HA    )(resid 74   and name HN    )     3.0  1.2 0.5
assign (resid 73   and name HA    )(resid 74   and name HB    )     4.0  2.2 1.0
assign (resid 73   and name HA    )(resid 74   and name HG1#  )     4.0  2.2 2.0
assign (resid 73   and name HA    )(resid 74   and name HG2#  )     4.0  2.2 2.0
assign (resid 73   and name HA    )(resid 74   and name HD1#  )     4.0  2.2 2.0
assign (resid 73   and name HA    )(resid 75   and name HN    )     4.0  2.2 1.0
!assign (resid 73   and name HB    )(resid 73   and name HG1#  )     4.0  2.2 2.0
!assign (resid 73   and name HB    )(resid 73   and name HG2#  )     4.0  2.2 2.0
assign (resid 73   and name HG##  )(resid 74   and name HN    )     4.0  2.2 3.4
assign (resid 73   and name HG2#  )(resid 74   and name HN    )     4.0  2.2 2.0
assign (resid 73   and name HG##  )(resid 74   and name HG1#  )     4.0  2.2 4.4
assign (resid 73   and name HG##  )(resid 75   and name HN    )     4.0  2.2 3.4
assign (resid 73   and name HG##  )(resid 76   and name HG##  )     4.0  2.2 5.8
!I74
assign (resid 74   and name HN    )(resid 74   and name HA    )     4.0  2.2 1.0
assign (resid 74   and name HN    )(resid 74   and name HB    )     4.0  2.2 1.0
assign (resid 74   and name HN    )(resid 74   and name HG12  )     4.0  2.2 1.0
assign (resid 74   and name HN    )(resid 74   and name HG11  )     4.0  2.2 1.0
assign (resid 74   and name HN    )(resid 74   and name HG2#  )     4.0  2.2 2.0
assign (resid 74   and name HN    )(resid 74   and name HD1#  )     4.0  2.2 2.0
assign (resid 74   and name HN    )(resid 75   and name HN    )     3.0  1.2 0.5
!assign (resid 74   and name HA    )(resid 74   and name HB    )     4.0  2.2 1.0
assign (resid 74   and name HA    )(resid 74   and name HG12  )     4.0  2.2 1.0
assign (resid 74   and name HA    )(resid 74   and name HG11  )     4.0  2.2 1.0
assign (resid 74   and name HA    )(resid 74   and name HG2#  )     4.0  2.2 1.6
assign (resid 74   and name HA    )(resid 74   and name HD1#  )     4.0  2.2 2.0
assign (resid 74   and name HA    )(resid 75   and name HN    )     4.0  2.2 1.0
!assign (resid 74   and name HB    )(resid 74   and name HG12  )     4.0  2.2 1.0
!assign (resid 74   and name HB    )(resid 74   and name HG11  )     4.0  2.2 1.0
!assign (resid 74   and name HB    )(resid 74   and name HG2#  )     4.0  2.2 2.0
assign (resid 74   and name HB    )(resid 74   and name HD1#  )     4.0  2.2 2.0
assign (resid 74   and name HB    )(resid 75   and name HN    )     4.0  2.2 1.0
assign (resid 74   and name HB    )(resid 75   and name HG#   )     4.0  2.2 2.0
assign (resid 74   and name HG12  )(resid 74   and name HG2#  )     4.0  2.2 2.0
assign (resid 74   and name HG11  )(resid 74   and name HG2#  )     4.0  2.2 2.0
!assign (resid 74   and name HG12  )(resid 74   and name HD1#  )     4.0  2.2 2.0
!assign (resid 74   and name HG11  )(resid 74   and name HD1#  )     4.0  2.2 2.0
assign (resid 74   and name HG12  )(resid 75   and name HN    )     4.0  2.2 1.0
assign (resid 74   and name HG11  )(resid 75   and name HN    )     4.0  2.2 1.0
assign (resid 74   and name HG2#  )(resid 74   and name HD1#  )     4.0  2.2 3.0
assign (resid 74   and name HG2#  )(resid 75   and name HN    )     4.0  2.2 2.0
assign (resid 74   and name HG2#  )(resid 75   and name HG#   )     4.0  2.2 3.0
assign (resid 74   and name HD1#  )(resid 75   and name HN    )     4.0  2.2 2.0
!E75
assign (resid 75   and name HN    )(resid 75   and name HA    )     4.0  2.2 1.0
assign (resid 75   and name HN    )(resid 75   and name HB#   )     3.0  1.2 1.5
assign (resid 75   and name HN    )(resid 75   and name HG#   )     4.0  2.2 2.0
assign (resid 75   and name HN    )(resid 76   and name HN    )     4.0  2.2 1.0
!assign (resid 75   and name HA    )(resid 75   and name HB#   )     3.0  1.2 1.5
assign (resid 75   and name HA    )(resid 76   and name HN    )     2.5  0.7 0.4
assign (resid 75   and name HA    )(resid 76   and name HG##  )     4.0  2.2 3.4
assign (resid 75   and name HB#   )(resid 76   and name HN    )     4.0  2.2 2.0
assign (resid 75   and name HG#   )(resid 76   and name HN    )     4.0  2.2 2.0
!V76
assign (resid 76   and name HN    )(resid 76   and name HB    )     4.0  2.2 1.0
assign (resid 76   and name HN    )(resid 76   and name HG##  )     4.0  2.2 2.7
assign (resid 76   and name HN    )(resid 77   and name HN    )     4.0  2.2 1.0
!assign (resid 76   and name HA    )(resid 76   and name HB    )     4.0  2.2 1.0
assign (resid 76   and name HA    )(resid 76   and name HG##  )     4.0  2.2 1.6
assign (resid 76   and name HA    )(resid 77   and name HN    )     4.0  2.2 1.0
!assign (resid 76   and name HB    )(resid 76   and name HG1#  )     4.0  2.2 2.0
!assign (resid 76   and name HB    )(resid 76   and name HG2#  )     4.0  2.2 2.0
assign (resid 76   and name HG##  )(resid 77   and name HN    )     4.0  2.2 3.4
assign (resid 76   and name HG##  )(resid 77   and name HA    )     4.0  2.2 3.4
assign (resid 76   and name HG##  )(resid 78   and name HN    )     4.0  2.2 3.4
assign (resid 76   and name HG1#  )(resid 78   and name HB#   )     4.0  2.2 3.0
assign (resid 76   and name HG2#  )(resid 78   and name HB#   )     4.0  2.2 3.0
assign (resid 76   and name HG##  )(resid 78   and name HG1   )     4.0  2.2 3.4
!E77
assign (resid 77   and name HN    )(resid 77   and name HA    )     4.0  2.2 1.0
assign (resid 77   and name HN    )(resid 77   and name HB2   )     4.0  2.2 1.0
assign (resid 77   and name HN    )(resid 77   and name HB1   )     4.0  2.2 1.0
assign (resid 77   and name HN    )(resid 77   and name HG2   )     4.0  2.2 1.0
assign (resid 77   and name HN    )(resid 77   and name HG1   )     4.0  2.2 1.0
assign (resid 77   and name HN    )(resid 78   and name HN    )     4.0  2.2 1.0
!assign (resid 77   and name HA    )(resid 77   and name HB#   )     4.0  2.2 2.0
assign (resid 77   and name HA    )(resid 77   and name HG2   )     4.0  2.2 1.0
assign (resid 77   and name HA    )(resid 77   and name HG1   )     4.0  2.2 1.0
assign (resid 77   and name HA    )(resid 78   and name HN    )     2.5  0.7 0.4
assign (resid 77   and name HA    )(resid 79   and name HN    )     4.0  2.2 1.0
!assign (resid 77   and name HB2   )(resid 77   and name HG#   )     4.0  2.2 2.0
!assign (resid 77   and name HB1   )(resid 77   and name HG#   )     4.0  2.2 2.0
assign (resid 77   and name HB#   )(resid 78   and name HN    )     4.0  2.2 2.0
assign (resid 77   and name HB#   )(resid 79   and name HG##  )     4.0  2.2 4.4
assign (resid 77   and name HG#   )(resid 78   and name HN    )     4.0  2.2 2.0
assign (resid 77   and name HG#   )(resid 79   and name HG##  )     4.0  2.2 4.4
!Q78
assign (resid 78   and name HN    )(resid 78   and name HA    )     4.0  2.2 1.0
assign (resid 78   and name HN    )(resid 78   and name HB2   )     4.0  2.2 1.0
assign (resid 78   and name HN    )(resid 78   and name HB1   )     4.0  2.2 1.0
assign (resid 78   and name HN    )(resid 78   and name HG1   )     4.0  2.2 1.0
assign (resid 78   and name HN    )(resid 79   and name HN    )     4.0  2.2 1.0
!assign (resid 78   and name HA    )(resid 78   and name HB2   )     4.0  2.2 1.0
!assign (resid 78   and name HA    )(resid 78   and name HB1   )     4.0  2.2 1.0
assign (resid 78   and name HA    )(resid 78   and name HG2   )     4.0  2.2 1.0
assign (resid 78   and name HA    )(resid 79   and name HN    )     3.0  1.2 0.5
assign (resid 78   and name HA    )(resid 79   and name HG##  )     4.0  2.2 3.4
!assign (resid 78   and name HB2   )(resid 78   and name HG2   )     4.0  2.2 1.0
!assign (resid 78   and name HB1   )(resid 78   and name HG2   )     4.0  2.2 1.0
assign (resid 78   and name HB#   )(resid 78   and name HE21  )     4.0  2.2 2.0
assign (resid 78   and name HB2   )(resid 79   and name HN    )     4.0  2.2 1.0
assign (resid 78   and name HB1   )(resid 79   and name HN    )     4.0  2.2 1.0
assign (resid 78   and name HG2   )(resid 78   and name HE21  )     4.0  2.2 1.0
assign (resid 78   and name HG2   )(resid 78   and name HE22  )     4.0  2.2 1.0
assign (resid 78   and name HG1   )(resid 78   and name HE21  )     4.0  2.2 1.0
assign (resid 78   and name HG1   )(resid 78   and name HE22  )     4.0  2.2 1.0
assign (resid 78   and name HG2   )(resid 79   and name HN    )     4.0  2.2 1.0
assign (resid 78   and name HE21  )(resid 80   and name HE#   )     4.0  2.2 3.0
assign (resid 78   and name HE22  )(resid 80   and name HE#   )     4.0  2.2 3.0
assign (resid 78   and name HE21  )(resid 80   and name HD#   )     4.0  2.2 3.0
!V79
assign (resid 79   and name HN    )(resid 79   and name HA    )     4.0  2.2 1.0
assign (resid 79   and name HN    )(resid 79   and name HB    )     4.0  2.2 1.0
assign (resid 79   and name HN    )(resid 79   and name HG##  )     4.0  2.2 2.7
assign (resid 79   and name HN    )(resid 80   and name HN    )     4.0  2.2 1.0
!assign (resid 79   and name HA    )(resid 79   and name HB    )     4.0  2.2 1.0
assign (resid 79   and name HA    )(resid 79   and name HG1#  )     4.0  2.2 2.0
assign (resid 79   and name HA    )(resid 79   and name HG2#  )     4.0  2.2 2.0
assign (resid 79   and name HA    )(resid 80   and name HN    )     3.0  1.2 0.5
assign (resid 79   and name HA    )(resid 80   and name HD#   )     4.0  2.2 3.0
!assign (resid 79   and name HB    )(resid 79   and name HG1#  )     4.0  2.2 2.0
!assign (resid 79   and name HB    )(resid 79   and name HG2#  )     4.0  2.2 2.0
assign (resid 79   and name HB    )(resid 80   and name HN    )     3.0  1.2 0.5
assign (resid 79   and name HG1#  )(resid 80   and name HN    )     4.0  2.2 2.0
assign (resid 79   and name HG##  )(resid 80   and name HN    )     4.0  2.2 3.4
!F80
assign (resid 80   and name HN    )(resid 80   and name HA    )     4.0  2.2 1.0
assign (resid 80   and name HN    )(resid 80   and name HB2   )     4.0  2.2 1.0
assign (resid 80   and name HN    )(resid 80   and name HB1   )     4.0  2.2 1.0
assign (resid 80   and name HN    )(resid 80   and name HD#   )     4.0  2.2 3.0
assign (resid 80   and name HN    )(resid 81   and name HN    )     4.0  2.2 1.0
assign (resid 80   and name HA    )(resid 81   and name HN    )     3.0  1.2 0.5
assign (resid 80   and name HA    )(resid 82   and name HN    )     4.0  2.2 1.0
assign (resid 80   and name HB2   )(resid 80   and name HD#   )     4.0  2.2 3.0
assign (resid 80   and name HB1   )(resid 80   and name HD#   )     4.0  2.2 3.0
assign (resid 80   and name HB2   )(resid 81   and name HN    )     4.0  2.2 1.0
assign (resid 80   and name HB1   )(resid 81   and name HN    )     4.0  2.2 1.0
assign (resid 80   and name HB2   )(resid 82   and name HN    )     4.0  2.2 1.0
assign (resid 80   and name HB1   )(resid 82   and name HN    )     4.0  2.2 1.0
assign (resid 80   and name HD#   )(resid 81   and name HN    )     4.0  2.2 3.0
assign (resid 80   and name HD#   )(resid 82   and name HN    )     4.0  2.2 3.0
!L81
assign (resid 81   and name HN    )(resid 81   and name HA    )     4.0  2.2 1.0
assign (resid 81   and name HN    )(resid 81   and name HB#   )     4.0  2.2 2.0
assign (resid 81   and name HN    )(resid 81   and name HG    )     4.0  2.2 1.0
assign (resid 81   and name HN    )(resid 81   and name HD##  )     4.0  2.2 2.7
!assign (resid 81   and name HA    )(resid 81   and name HB#   )     4.0  2.2 2.0
assign (resid 81   and name HA    )(resid 81   and name HG    )     4.0  2.2 1.0
assign (resid 81   and name HA    )(resid 81   and name HD##  )     4.0  2.2 2.7
assign (resid 81   and name HA    )(resid 82   and name HN    )     3.0  1.2 0.5
!assign (resid 81   and name HB#   )(resid 81   and name HG    )     4.0  2.2 2.0
assign (resid 81   and name HB#   )(resid 81   and name HD##  )     4.0  2.2 4.4
assign (resid 81   and name HB#   )(resid 82   and name HN    )     4.0  2.2 2.0
!assign (resid 81   and name HG    )(resid 81   and name HD##  )     4.0  2.2 3.4
assign (resid 81   and name HG    )(resid 82   and name HN    )     4.0  2.2 1.0
assign (resid 81   and name HG    )(resid 82   and name HG#   )     4.0  2.2 2.0
assign (resid 81   and name HD##  )(resid 82   and name HN    )     4.0  2.2 3.4
assign (resid 81   and name HD1#  )(resid 82   and name HG#   )     4.0  2.2 3.0
assign (resid 81   and name HD2#  )(resid 82   and name HG#   )     4.0  2.2 3.0
!E82
assign (resid 82   and name HN    )(resid 82   and name HA    )     3.0  1.2 0.5
!assign (resid 82   and name HA    )(resid 82   and name HB2   )     4.0  2.2 1.0
!assign (resid 82   and name HA    )(resid 82   and name HB1   )     4.0  2.2 1.0
assign (resid 82   and name HA    )(resid 82   and name HG2   )     4.0  2.2 1.0
assign (resid 82   and name HA    )(resid 82   and name HG1   )     4.0  2.2 1.0
assign (resid 82   and name HA    )(resid 83   and name HN    )     4.0  2.2 1.0
assign (resid 82   and name HA    )(resid 84   and name HN    )     4.0  2.2 1.0
!assign (resid 82   and name HB#   )(resid 82   and name HG#   )     4.0  2.2 3.0
assign (resid 82   and name HB#   )(resid 83   and name HN    )     4.0  2.2 2.0



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1   3.829 -24.232 -11.113
    2   2H    MET   1          2HT       MET   1   4.518 -25.758 -10.826
    3   3H    MET   1          3HT       MET   1   5.052 -24.403  -9.951
    4    HA   MET   1           HA       MET   1   2.629 -24.232  -9.162
    5   1HB   MET   1          2HB       MET   1   1.890 -25.987 -10.819
    6   2HB   MET   1          3HB       MET   1   2.797 -27.174  -9.883
    7   1HG   MET   1          2HG       MET   1   1.449 -26.622  -7.883
    8   2HG   MET   1          3HG       MET   1   0.534 -25.448  -8.829
    9   1HE   MET   1          1HE       MET   1  -0.741 -27.555  -7.166
   10   2HE   MET   1          2HE       MET   1   0.413 -28.866  -7.398
   11   3HE   MET   1          3HE       MET   1  -1.257 -29.069  -7.921
   12    HA   PRO   2           HA       PRO   2   5.821 -25.680  -6.164
   13   1HB   PRO   2          2HB       PRO   2   5.488 -23.193  -4.738
   14   2HB   PRO   2          3HB       PRO   2   6.894 -23.752  -5.655
   15   1HG   PRO   2          2HG       PRO   2   5.241 -21.651  -6.362
   16   2HG   PRO   2          3HG       PRO   2   6.355 -22.501  -7.442
   17   1HD   PRO   2          2HD       PRO   2   3.394 -22.761  -7.210
   18   2HD   PRO   2          3HD       PRO   2   4.444 -22.992  -8.626
   19    H    THR   3           H        THR   3   3.690 -23.361  -4.564
   20    HA   THR   3           HA       THR   3   1.795 -25.214  -3.536
   21    HB   THR   3           HB       THR   3   3.418 -24.284  -1.242
   22    HG1  THR   3           HG1      THR   3   4.843 -26.109  -1.530
   23   1HG2  THR   3          1HG2      THR   3   2.814 -26.487  -0.385
   24   2HG2  THR   3          2HG2      THR   3   1.388 -25.710  -1.072
   25   3HG2  THR   3          3HG2      THR   3   2.225 -26.974  -1.974
   26    H    GLU   4           H        GLU   4   0.339 -24.209  -1.999
   27    HA   GLU   4           HA       GLU   4   0.087 -21.341  -2.453
   28   1HB   GLU   4          2HB       GLU   4  -1.620 -23.353  -0.949
   29   2HB   GLU   4          3HB       GLU   4  -2.007 -21.638  -1.065
   30   1HG   GLU   4          2HG       GLU   4  -3.235 -22.699  -2.815
   31   2HG   GLU   4          3HG       GLU   4  -1.871 -21.904  -3.596
   32    H    ASN   5           H        ASN   5   2.406 -22.127  -1.033
   33    HA   ASN   5           HA       ASN   5   2.301 -21.939   1.750
   34   1HB   ASN   5          2HB       ASN   5   4.286 -21.564  -0.372
   35   2HB   ASN   5          3HB       ASN   5   4.569 -20.495   0.997
   36   1HD2  ASN   5          2HD2      ASN   5   3.364 -23.895   0.781
   37   2HD2  ASN   5          1HD2      ASN   5   4.510 -24.518   1.867
   38    HA   PRO   6           HA       PRO   6   1.296 -17.831   3.046
   39   1HB   PRO   6          2HB       PRO   6   3.920 -16.628   3.243
   40   2HB   PRO   6          3HB       PRO   6   2.861 -17.172   4.553
   41   1HG   PRO   6          2HG       PRO   6   5.157 -18.518   3.326
   42   2HG   PRO   6          3HG       PRO   6   4.404 -18.780   4.907
   43   1HD   PRO   6          2HD       PRO   6   4.175 -20.578   2.879
   44   2HD   PRO   6          3HD       PRO   6   2.881 -20.334   4.072
   45    H    THR   7           H        THR   7   0.364 -17.389   1.024
   46    HA   THR   7           HA       THR   7   1.775 -16.549  -1.272
   47    HB   THR   7           HB       THR   7  -0.443 -15.829  -2.097
   48    HG1  THR   7           HG1      THR   7  -1.395 -15.019  -0.294
   49   1HG2  THR   7          1HG2      THR   7  -0.729 -18.430  -0.591
   50   2HG2  THR   7          2HG2      THR   7  -1.383 -18.006  -2.173
   51   3HG2  THR   7          3HG2      THR   7   0.350 -18.269  -1.976
   52    H    MET   8           H        MET   8   0.813 -14.291  -2.260
   53    HA   MET   8           HA       MET   8   2.286 -12.225  -1.169
   54   1HB   MET   8          2HB       MET   8  -0.216 -12.159  -2.862
   55   2HB   MET   8          3HB       MET   8   0.697 -10.708  -2.448
   56   1HG   MET   8          2HG       MET   8   2.737 -11.755  -3.435
   57   2HG   MET   8          3HG       MET   8   1.751 -13.130  -3.938
   58   1HE   MET   8          1HE       MET   8   3.456 -11.726  -5.932
   59   2HE   MET   8          2HE       MET   8   3.407 -10.142  -5.163
   60   3HE   MET   8          3HE       MET   8   2.818 -10.330  -6.812
   61    H    PHE   9           H        PHE   9  -1.220 -12.757  -0.806
   62    HA   PHE   9           HA       PHE   9  -2.001 -10.708   0.776
   63   1HB   PHE   9          2HB       PHE   9  -3.281 -12.848   0.022
   64   2HB   PHE   9          3HB       PHE   9  -2.786 -13.492   1.587
   65    HD1  PHE   9           HD1      PHE   9  -3.396 -12.232   3.694
   66    HD2  PHE   9           HD2      PHE   9  -5.034 -11.237  -0.153
   67    HE1  PHE   9           HE1      PHE   9  -5.219 -10.965   4.797
   68    HE2  PHE   9           HE2      PHE   9  -6.857  -9.971   0.953
   69    HZ   PHE   9           HZ       PHE   9  -6.950  -9.834   3.427
   70    H    ASP  10           H        ASP  10  -0.502 -13.698   2.021
   71    HA   ASP  10           HA       ASP  10  -0.425 -12.997   4.725
   72   1HB   ASP  10          2HB       ASP  10   0.095 -15.257   3.734
   73   2HB   ASP  10          3HB       ASP  10   1.673 -14.622   3.274
   74    H    GLN  11           H        GLN  11   2.092 -12.573   2.236
   75    HA   GLN  11           HA       GLN  11   3.976 -11.259   3.867
   76   1HB   GLN  11          2HB       GLN  11   3.562 -11.710   0.986
   77   2HB   GLN  11          3HB       GLN  11   4.459 -10.241   1.371
   78   1HG   GLN  11          2HG       GLN  11   6.007 -11.563   2.779
   79   2HG   GLN  11          3HG       GLN  11   5.120 -13.029   2.366
   80   1HE2  GLN  11          2HE2      GLN  11   4.869 -11.385  -0.432
   81   2HE2  GLN  11          1HE2      GLN  11   6.292 -11.878  -1.214
   82    H    VAL  12           H        VAL  12   1.806  -9.759   1.430
   83    HA   VAL  12           HA       VAL  12   2.414  -7.130   2.100
   84    HB   VAL  12           HB       VAL  12   0.618  -6.482   0.784
   85   1HG1  VAL  12          1HG1      VAL  12   0.909  -7.735  -1.085
   86   2HG1  VAL  12          2HG1      VAL  12   2.133  -8.535  -0.100
   87   3HG1  VAL  12          3HG1      VAL  12   0.526  -9.242  -0.259
   88   1HG2  VAL  12          1HG2      VAL  12  -0.813  -9.015   1.641
   89   2HG2  VAL  12          2HG2      VAL  12  -1.193  -7.379   2.179
   90   3HG2  VAL  12          3HG2      VAL  12  -1.448  -7.838   0.497
   91    H    ALA  13           H        ALA  13  -0.316  -9.103   3.278
   92    HA   ALA  13           HA       ALA  13  -1.347  -7.282   5.075
   93   1HB   ALA  13          1HB       ALA  13  -2.275  -9.200   6.290
   94   2HB   ALA  13          2HB       ALA  13  -2.424  -9.444   4.550
   95   3HB   ALA  13          3HB       ALA  13  -1.161 -10.281   5.453
   96    H    GLU  14           H        GLU  14   1.267  -9.625   5.474
   97    HA   GLU  14           HA       GLU  14   1.805  -9.180   8.202
   98   1HB   GLU  14          2HB       GLU  14   2.670 -11.115   6.966
   99   2HB   GLU  14          3HB       GLU  14   3.708 -10.052   6.017
  100   1HG   GLU  14          2HG       GLU  14   4.938  -9.384   7.984
  101   2HG   GLU  14          3HG       GLU  14   3.808 -10.230   9.037
  102    H    VAL  15           H        VAL  15   3.691  -7.965   5.398
  103    HA   VAL  15           HA       VAL  15   5.266  -6.200   6.929
  104    HB   VAL  15           HB       VAL  15   5.831  -5.106   4.794
  105   1HG1  VAL  15          1HG1      VAL  15   6.800  -7.061   3.731
  106   2HG1  VAL  15          2HG1      VAL  15   6.846  -7.293   5.478
  107   3HG1  VAL  15          3HG1      VAL  15   5.624  -8.118   4.512
  108   1HG2  VAL  15          1HG2      VAL  15   4.722  -6.293   2.736
  109   2HG2  VAL  15          2HG2      VAL  15   3.432  -6.669   3.873
  110   3HG2  VAL  15          3HG2      VAL  15   3.848  -4.991   3.544
  111    H    ILE  16           H        ILE  16   2.179  -5.664   5.267
  112    HA   ILE  16           HA       ILE  16   2.002  -2.895   5.516
  113    HB   ILE  16           HB       ILE  16  -0.110  -5.049   5.519
  114   1HG1  ILE  16          2HG1      ILE  16   0.299  -2.883   3.472
  115   2HG1  ILE  16          3HG1      ILE  16   1.384  -4.272   3.484
  116   1HG2  ILE  16          1HG2      ILE  16  -0.411  -2.052   5.771
  117   2HG2  ILE  16          2HG2      ILE  16  -1.675  -3.050   5.052
  118   3HG2  ILE  16          3HG2      ILE  16  -1.191  -3.312   6.727
  119   1HD1  ILE  16          1HD1      ILE  16  -0.275  -5.062   2.075
  120   2HD1  ILE  16          2HD1      ILE  16  -0.893  -5.628   3.625
  121   3HD1  ILE  16          3HD1      ILE  16  -1.548  -4.162   2.897
  122    H    GLU  17           H        GLU  17   0.418  -5.238   7.720
  123    HA   GLU  17           HA       GLU  17  -0.307  -3.424   9.688
  124   1HB   GLU  17          2HB       GLU  17  -0.810  -5.244  11.035
  125   2HB   GLU  17          3HB       GLU  17  -0.833  -5.972   9.432
  126   1HG   GLU  17          2HG       GLU  17   0.513  -7.498  10.530
  127   2HG   GLU  17          3HG       GLU  17   1.743  -6.381   9.953
  128    H    ARG  18           H        ARG  18   2.811  -4.879   9.074
  129    HA   ARG  18           HA       ARG  18   4.018  -4.239  11.573
  130   1HB   ARG  18          2HB       ARG  18   4.854  -5.884   9.795
  131   2HB   ARG  18          3HB       ARG  18   5.477  -4.473   8.942
  132   1HG   ARG  18          2HG       ARG  18   6.815  -3.847  10.902
  133   2HG   ARG  18          3HG       ARG  18   6.159  -5.216  11.801
  134   1HD   ARG  18          2HD       ARG  18   7.133  -6.769  10.141
  135   2HD   ARG  18          3HD       ARG  18   7.796  -5.399   9.255
  136    HE   ARG  18           HE       ARG  18   9.571  -5.550  10.722
  137   1HH1  ARG  18          1HH2      ARG  18   8.011  -7.986  12.019
  138   2HH1  ARG  18          2HH2      ARG  18   8.156  -7.555  13.691
  139   1HH2  ARG  18          1HH1      ARG  18   9.176  -4.306  13.038
  140   2HH2  ARG  18          2HH1      ARG  18   8.816  -5.471  14.267
  141    H    LEU  19           H        LEU  19   4.137  -2.647   8.387
  142    HA   LEU  19           HA       LEU  19   5.582  -0.374   9.385
  143   1HB   LEU  19          2HB       LEU  19   4.384  -1.184   6.772
  144   2HB   LEU  19          3HB       LEU  19   4.753   0.519   7.029
  145    HG   LEU  19           HG       LEU  19   6.647  -0.712   5.980
  146   1HD1  LEU  19          1HD1      LEU  19   8.270   0.412   7.193
  147   2HD1  LEU  19          2HD1      LEU  19   6.821   1.228   7.780
  148   3HD1  LEU  19          3HD1      LEU  19   7.574  -0.039   8.749
  149   1HD2  LEU  19          1HD2      LEU  19   7.828  -2.434   7.164
  150   2HD2  LEU  19          2HD2      LEU  19   6.891  -2.159   8.632
  151   3HD2  LEU  19          3HD2      LEU  19   6.123  -2.878   7.217
  152    H    ARG  20           H        ARG  20   2.231  -1.223   9.143
  153    HA   ARG  20           HA       ARG  20   0.799   1.026   8.810
  154   1HB   ARG  20          2HB       ARG  20   0.484  -1.298  10.601
  155   2HB   ARG  20          3HB       ARG  20  -0.471   0.119  11.034
  156   1HG   ARG  20          2HG       ARG  20  -1.329   0.218   8.698
  157   2HG   ARG  20          3HG       ARG  20  -0.434  -1.255   8.328
  158   1HD   ARG  20          2HD       ARG  20  -2.394  -2.269   8.911
  159   2HD   ARG  20          3HD       ARG  20  -1.768  -2.067  10.545
  160    HE   ARG  20           HE       ARG  20  -3.128   0.280   9.958
  161   1HH1  ARG  20          1HH1      ARG  20  -3.686  -3.041  10.690
  162   2HH1  ARG  20          2HH1      ARG  20  -5.394  -2.853  10.912
  163   1HH2  ARG  20          1HH2      ARG  20  -5.418   0.493  10.011
  164   2HH2  ARG  20          2HH2      ARG  20  -6.372  -0.857  10.528
  165    HA   PRO  21           HA       PRO  21   1.446   2.507  13.487
  166   1HB   PRO  21          2HB       PRO  21   4.148   1.710  14.095
  167   2HB   PRO  21          3HB       PRO  21   2.660   1.284  14.953
  168   1HG   PRO  21          2HG       PRO  21   4.216  -0.274  13.047
  169   2HG   PRO  21          3HG       PRO  21   2.990  -0.806  14.206
  170   1HD   PRO  21          2HD       PRO  21   2.592  -0.773  11.490
  171   2HD   PRO  21          3HD       PRO  21   1.277  -0.628  12.676
  172    H    PHE  22           H        PHE  22   4.184   2.125  11.254
  173    HA   PHE  22           HA       PHE  22   5.307   4.715  11.808
  174   1HB   PHE  22          2HB       PHE  22   5.795   2.618   9.697
  175   2HB   PHE  22          3HB       PHE  22   6.592   4.189   9.638
  176    HD1  PHE  22           HD1      PHE  22   6.606   0.908  11.113
  177    HD2  PHE  22           HD2      PHE  22   7.896   4.963  11.704
  178    HE1  PHE  22           HE1      PHE  22   8.271   0.136  12.782
  179    HE2  PHE  22           HE2      PHE  22   9.559   4.192  13.371
  180    HZ   PHE  22           HZ       PHE  22   9.749   1.778  13.911
  181    H    LEU  23           H        LEU  23   3.319   3.321   9.226
  182    HA   LEU  23           HA       LEU  23   3.213   5.571   7.547
  183   1HB   LEU  23          2HB       LEU  23   1.059   3.486   7.992
  184   2HB   LEU  23          3HB       LEU  23   1.207   4.548   6.592
  185    HG   LEU  23           HG       LEU  23   3.329   2.550   7.438
  186   1HD1  LEU  23          1HD1      LEU  23   0.970   1.722   6.575
  187   2HD1  LEU  23          2HD1      LEU  23   1.598   2.230   5.008
  188   3HD1  LEU  23          3HD1      LEU  23   2.449   1.001   5.942
  189   1HD2  LEU  23          1HD2      LEU  23   2.977   4.459   5.133
  190   2HD2  LEU  23          2HD2      LEU  23   4.404   4.179   6.130
  191   3HD2  LEU  23          3HD2      LEU  23   3.924   2.987   4.923
  192    H    LEU  24           H        LEU  24   1.018   4.532  10.151
  193    HA   LEU  24           HA       LEU  24  -0.877   6.552  10.002
  194   1HB   LEU  24          2HB       LEU  24  -1.248   4.692  11.457
  195   2HB   LEU  24          3HB       LEU  24   0.222   5.029  12.367
  196    HG   LEU  24           HG       LEU  24  -0.753   7.154  13.169
  197   1HD1  LEU  24          1HD1      LEU  24  -2.935   6.343  11.284
  198   2HD1  LEU  24          2HD1      LEU  24  -3.376   7.217  12.750
  199   3HD1  LEU  24          3HD1      LEU  24  -2.261   7.942  11.592
  200   1HD2  LEU  24          1HD2      LEU  24  -2.729   4.901  13.610
  201   2HD2  LEU  24          2HD2      LEU  24  -1.125   4.921  14.344
  202   3HD2  LEU  24          3HD2      LEU  24  -2.289   6.187  14.734
  203    H    ARG  25           H        ARG  25   2.217   6.533  11.727
  204    HA   ARG  25           HA       ARG  25   1.980   8.983  13.044
  205   1HB   ARG  25          2HB       ARG  25   4.234   7.235  12.208
  206   2HB   ARG  25          3HB       ARG  25   4.629   8.896  12.647
  207   1HG   ARG  25          2HG       ARG  25   2.812   7.293  14.427
  208   2HG   ARG  25          3HG       ARG  25   4.554   7.037  14.510
  209   1HD   ARG  25          2HD       ARG  25   3.188   9.728  14.801
  210   2HD   ARG  25          3HD       ARG  25   3.775   8.749  16.141
  211    HE   ARG  25           HE       ARG  25   5.360  10.420  14.439
  212   1HH1  ARG  25          1HH1      ARG  25   5.621   8.919  17.302
  213   2HH1  ARG  25          2HH1      ARG  25   7.202   8.246  17.083
  214   1HH2  ARG  25          1HH2      ARG  25   7.300   8.912  13.680
  215   2HH2  ARG  25          2HH2      ARG  25   8.152   8.241  15.031
  216    H    ASP  26           H        ASP  26   3.401   8.321   9.820
  217    HA   ASP  26           HA       ASP  26   3.573  11.228   9.383
  218   1HB   ASP  26          2HB       ASP  26   4.847   8.869   8.010
  219   2HB   ASP  26          3HB       ASP  26   4.920  10.502   7.351
  220    H    GLY  27           H        GLY  27   2.601   8.357   7.455
  221   1HA   GLY  27          1HA       GLY  27   1.057  10.090   5.681
  222   2HA   GLY  27          2HA       GLY  27   1.374   8.378   5.451
  223    H    GLY  28           H        GLY  28   0.191   6.866   6.901
  224   1HA   GLY  28          1HA       GLY  28  -2.000   7.548   8.493
  225   2HA   GLY  28          2HA       GLY  28  -2.593   7.391   6.842
  226    H    ASP  29           H        ASP  29  -3.701   5.488   6.894
  227    HA   ASP  29           HA       ASP  29  -2.142   3.079   7.607
  228   1HB   ASP  29          2HB       ASP  29  -4.879   3.883   8.515
  229   2HB   ASP  29          3HB       ASP  29  -4.527   2.174   8.268
  230    H    CYS  30           H        CYS  30  -2.136   1.548   6.104
  231    HA   CYS  30           HA       CYS  30  -3.771   1.942   3.700
  232   1HB   CYS  30          2HB       CYS  30  -1.225   1.555   3.676
  233   2HB   CYS  30          3HB       CYS  30  -1.607  -0.124   4.057
  234    HG   CYS  30           HG       CYS  30  -1.569   0.108   1.447
  235    H    THR  31           H        THR  31  -4.880   0.154   2.726
  236    HA   THR  31           HA       THR  31  -5.401  -2.195   4.380
  237    HB   THR  31           HB       THR  31  -7.618  -0.309   3.539
  238    HG1  THR  31           HG1      THR  31  -7.055   0.561   5.364
  239   1HG2  THR  31          1HG2      THR  31  -8.889  -1.978   5.103
  240   2HG2  THR  31          2HG2      THR  31  -8.571  -2.445   3.433
  241   3HG2  THR  31          3HG2      THR  31  -7.554  -3.070   4.732
  242    H    LEU  32           H        LEU  32  -5.096  -3.808   2.997
  243    HA   LEU  32           HA       LEU  32  -5.305  -3.531   0.164
  244   1HB   LEU  32          2HB       LEU  32  -3.865  -5.188   1.541
  245   2HB   LEU  32          3HB       LEU  32  -5.327  -6.170   1.613
  246    HG   LEU  32           HG       LEU  32  -5.356  -5.661  -1.010
  247   1HD1  LEU  32          1HD1      LEU  32  -3.212  -4.249  -0.620
  248   2HD1  LEU  32          2HD1      LEU  32  -2.387  -5.802  -0.487
  249   3HD1  LEU  32          3HD1      LEU  32  -3.223  -5.372  -1.980
  250   1HD2  LEU  32          1HD2      LEU  32  -3.867  -7.778  -1.234
  251   2HD2  LEU  32          2HD2      LEU  32  -3.793  -7.739   0.528
  252   3HD2  LEU  32          3HD2      LEU  32  -5.349  -7.912  -0.288
  253    H    VAL  33           H        VAL  33  -7.041  -3.706  -1.098
  254    HA   VAL  33           HA       VAL  33  -9.556  -4.654   0.096
  255    HB   VAL  33           HB       VAL  33  -9.086  -3.099  -2.461
  256   1HG1  VAL  33          1HG1      VAL  33 -11.160  -4.120  -2.777
  257   2HG1  VAL  33          2HG1      VAL  33 -11.522  -4.150  -1.051
  258   3HG1  VAL  33          3HG1      VAL  33 -11.631  -2.636  -1.948
  259   1HG2  VAL  33          1HG2      VAL  33 -10.093  -1.224  -1.097
  260   2HG2  VAL  33          2HG2      VAL  33  -9.932  -2.251   0.328
  261   3HG2  VAL  33          3HG2      VAL  33  -8.495  -1.731  -0.551
  262    H    ASP  34           H        ASP  34  -7.419  -5.184  -2.697
  263    HA   ASP  34           HA       ASP  34  -8.443  -7.884  -2.964
  264   1HB   ASP  34          2HB       ASP  34  -9.967  -6.239  -4.305
  265   2HB   ASP  34          3HB       ASP  34  -8.617  -6.176  -5.432
  266    H    VAL  35           H        VAL  35  -6.895  -9.222  -3.686
  267    HA   VAL  35           HA       VAL  35  -4.399  -8.018  -4.693
  268    HB   VAL  35           HB       VAL  35  -4.323  -9.417  -2.595
  269   1HG1  VAL  35          1HG1      VAL  35  -4.748 -11.722  -2.631
  270   2HG1  VAL  35          2HG1      VAL  35  -6.053 -11.079  -3.627
  271   3HG1  VAL  35          3HG1      VAL  35  -4.642 -11.814  -4.388
  272   1HG2  VAL  35          1HG2      VAL  35  -2.296  -9.100  -3.882
  273   2HG2  VAL  35          2HG2      VAL  35  -2.365 -10.792  -3.393
  274   3HG2  VAL  35          3HG2      VAL  35  -2.784 -10.333  -5.044
  275    H    GLU  36           H        GLU  36  -4.085  -8.138  -6.821
  276    HA   GLU  36           HA       GLU  36  -5.227 -10.443  -8.292
  277   1HB   GLU  36          2HB       GLU  36  -4.771  -7.644  -9.353
  278   2HB   GLU  36          3HB       GLU  36  -5.507  -8.991 -10.221
  279   1HG   GLU  36          2HG       GLU  36  -6.605  -7.689  -7.710
  280   2HG   GLU  36          3HG       GLU  36  -7.235  -7.474  -9.341
  281    H    ASP  37           H        ASP  37  -4.074 -10.458 -10.595
  282    HA   ASP  37           HA       ASP  37  -1.370 -11.236 -10.102
  283   1HB   ASP  37          2HB       ASP  37  -3.287 -11.345 -12.306
  284   2HB   ASP  37          3HB       ASP  37  -1.646 -11.012 -12.856
  285    H    GLY  38           H        GLY  38  -2.852  -8.259 -10.764
  286   1HA   GLY  38          1HA       GLY  38  -0.404  -6.812 -10.732
  287   2HA   GLY  38          2HA       GLY  38  -1.046  -6.889 -12.370
  288    H    ILE  39           H        ILE  39  -3.833  -6.932 -11.499
  289    HA   ILE  39           HA       ILE  39  -4.197  -4.068 -11.175
  290    HB   ILE  39           HB       ILE  39  -6.356  -6.176 -11.381
  291   1HG1  ILE  39          2HG1      ILE  39  -6.219  -5.297 -13.888
  292   2HG1  ILE  39          3HG1      ILE  39  -4.536  -4.998 -13.459
  293   1HG2  ILE  39          1HG2      ILE  39  -7.099  -3.931 -10.717
  294   2HG2  ILE  39          2HG2      ILE  39  -6.226  -3.222 -12.077
  295   3HG2  ILE  39          3HG2      ILE  39  -7.613  -4.270 -12.369
  296   1HD1  ILE  39          1HD1      ILE  39  -4.035  -7.198 -13.539
  297   2HD1  ILE  39          2HD1      ILE  39  -5.428  -7.622 -12.544
  298   3HD1  ILE  39          3HD1      ILE  39  -5.613  -7.437 -14.288
  299    H    VAL  40           H        VAL  40  -3.084  -4.604  -8.930
  300    HA   VAL  40           HA       VAL  40  -4.750  -5.637  -6.854
  301    HB   VAL  40           HB       VAL  40  -2.104  -4.339  -7.072
  302   1HG1  VAL  40          1HG1      VAL  40  -3.201  -2.799  -5.471
  303   2HG1  VAL  40          2HG1      VAL  40  -3.685  -4.179  -4.485
  304   3HG1  VAL  40          3HG1      VAL  40  -1.977  -3.786  -4.675
  305   1HG2  VAL  40          1HG2      VAL  40  -2.760  -6.827  -6.741
  306   2HG2  VAL  40          2HG2      VAL  40  -1.446  -6.184  -5.757
  307   3HG2  VAL  40          3HG2      VAL  40  -3.055  -6.376  -5.063
  308    H    LYS  41           H        LYS  41  -5.487  -4.315  -4.981
  309    HA   LYS  41           HA       LYS  41  -6.126  -1.523  -5.541
  310   1HB   LYS  41          2HB       LYS  41  -8.485  -3.097  -4.694
  311   2HB   LYS  41          3HB       LYS  41  -8.384  -1.717  -5.782
  312   1HG   LYS  41          2HG       LYS  41  -7.551  -3.146  -7.579
  313   2HG   LYS  41          3HG       LYS  41  -7.511  -4.534  -6.493
  314   1HD   LYS  41          2HD       LYS  41  -9.603  -4.965  -7.249
  315   2HD   LYS  41          3HD       LYS  41 -10.105  -3.639  -6.202
  316   1HE   LYS  41          2HE       LYS  41  -9.273  -3.332  -9.102
  317   2HE   LYS  41          3HE       LYS  41 -10.939  -3.359  -8.528
  318   1HZ   LYS  41          1HZ       LYS  41  -8.875  -1.308  -8.143
  319   1HZ   LYS  41          1HZ       LYS  41 -10.082  -1.489  -6.962
  320   3HZ   LYS  41          3HZ       LYS  41 -10.507  -1.126  -8.567
  321    H    LEU  42           H        LEU  42  -5.734  -0.453  -3.730
  322    HA   LEU  42           HA       LEU  42  -6.369  -1.727  -1.142
  323   1HB   LEU  42          2HB       LEU  42  -4.336  -0.445  -0.248
  324   2HB   LEU  42          3HB       LEU  42  -4.009  -1.881  -1.214
  325    HG   LEU  42           HG       LEU  42  -4.219   0.740  -2.643
  326   1HD1  LEU  42          1HD1      LEU  42  -1.784   1.134  -2.197
  327   2HD1  LEU  42          2HD1      LEU  42  -2.789   1.325  -0.760
  328   3HD1  LEU  42          3HD1      LEU  42  -1.839  -0.143  -0.982
  329   1HD2  LEU  42          1HD2      LEU  42  -2.997  -0.355  -4.261
  330   2HD2  LEU  42          2HD2      LEU  42  -2.063  -1.276  -3.083
  331   3HD2  LEU  42          3HD2      LEU  42  -3.707  -1.769  -3.484
  332    H    GLN  43           H        GLN  43  -6.093   0.158   0.629
  333    HA   GLN  43           HA       GLN  43  -7.250   2.656  -0.385
  334   1HB   GLN  43          2HB       GLN  43  -9.233   1.422   0.087
  335   2HB   GLN  43          3HB       GLN  43  -8.570   0.801   1.598
  336   1HG   GLN  43          2HG       GLN  43  -8.672   2.967   2.633
  337   2HG   GLN  43          3HG       GLN  43  -9.033   3.752   1.097
  338   1HE2  GLN  43          2HE2      GLN  43 -11.116   2.474   0.004
  339   2HE2  GLN  43          1HE2      GLN  43 -12.433   2.347   1.066
  340    H    LEU  44           H        LEU  44  -6.091   4.239   0.431
  341    HA   LEU  44           HA       LEU  44  -4.629   3.896   2.944
  342   1HB   LEU  44          2HB       LEU  44  -3.597   4.859   0.817
  343   2HB   LEU  44          3HB       LEU  44  -4.594   6.286   1.094
  344    HG   LEU  44           HG       LEU  44  -3.540   6.151   3.526
  345   1HD1  LEU  44          1HD1      LEU  44  -2.341   4.039   3.137
  346   2HD1  LEU  44          2HD1      LEU  44  -1.478   4.766   1.782
  347   3HD1  LEU  44          3HD1      LEU  44  -1.195   5.349   3.422
  348   1HD2  LEU  44          1HD2      LEU  44  -2.032   7.139   1.080
  349   2HD2  LEU  44          2HD2      LEU  44  -3.271   8.032   1.962
  350   3HD2  LEU  44          3HD2      LEU  44  -1.732   7.661   2.738
  351    H    HIS  45           H        HIS  45  -4.894   5.291   4.728
  352    HA   HIS  45           HA       HIS  45  -6.782   7.442   4.702
  353   1HB   HIS  45          2HB       HIS  45  -8.520   6.552   6.049
  354   2HB   HIS  45          3HB       HIS  45  -8.263   5.377   4.766
  355    HD1  HIS  45           HD1      HIS  45  -7.945   5.856   8.451
  356    HD2  HIS  45           HD2      HIS  45  -7.014   2.930   5.632
  357    HE1  HIS  45           HE1      HIS  45  -7.426   3.747   9.753
  358    H    GLY  46           H        GLY  46  -5.930   8.890   6.013
  359   1HA   GLY  46          1HA       GLY  46  -4.258   7.979   8.270
  360   2HA   GLY  46          2HA       GLY  46  -4.136   9.548   7.478
  361    H    ALA  47           H        ALA  47  -7.124   9.741   7.422
  362    HA   ALA  47           HA       ALA  47  -8.143   9.716  10.063
  363   1HB   ALA  47          1HB       ALA  47  -6.637  11.485  10.599
  364   2HB   ALA  47          2HB       ALA  47  -6.969  12.324   9.084
  365   3HB   ALA  47          3HB       ALA  47  -8.204  12.249  10.341
  366    H    CYS  48           H        CYS  48  -8.800  12.635   8.390
  367    HA   CYS  48           HA       CYS  48 -10.687  11.751   6.482
  368   1HB   CYS  48          2HB       CYS  48 -12.054  10.957   8.277
  369   2HB   CYS  48          3HB       CYS  48 -11.790  12.427   9.216
  370    HG   CYS  48           HG       CYS  48 -13.196  13.736   7.390
  371    H    GLY  49           H        GLY  49  -9.962  13.384   5.200
  372   1HA   GLY  49          1HA       GLY  49 -10.431  16.152   6.148
  373   2HA   GLY  49          2HA       GLY  49  -9.128  15.713   5.049
  374    H    THR  50           H        THR  50  -9.826  17.089   3.404
  375    HA   THR  50           HA       THR  50 -12.135  16.086   1.882
  376    HB   THR  50           HB       THR  50 -12.834  18.427   1.396
  377    HG1  THR  50           HG1      THR  50 -10.571  19.059   2.339
  378   1HG2  THR  50          1HG2      THR  50 -14.017  18.756   3.463
  379   2HG2  THR  50          2HG2      THR  50 -13.855  17.016   3.231
  380   3HG2  THR  50          3HG2      THR  50 -12.801  17.857   4.368
  381    H    CYS  51           H        CYS  51  -9.311  18.236   1.941
  382    HA   CYS  51           HA       CYS  51  -8.698  17.410  -0.823
  383   1HB   CYS  51          2HB       CYS  51  -8.684  20.245   0.242
  384   2HB   CYS  51          3HB       CYS  51  -7.969  19.758  -1.295
  385    HG   CYS  51           HG       CYS  51 -10.259  20.131  -2.183
  386    HA   PRO  52           HA       PRO  52  -5.066  16.995   1.991
  387   1HB   PRO  52          2HB       PRO  52  -4.556  14.425   0.791
  388   2HB   PRO  52          3HB       PRO  52  -5.065  14.781   2.447
  389   1HG   PRO  52          2HG       PRO  52  -6.602  13.521   0.532
  390   2HG   PRO  52          3HG       PRO  52  -7.213  14.292   2.001
  391   1HD   PRO  52          2HD       PRO  52  -7.256  15.295  -0.805
  392   2HD   PRO  52          3HD       PRO  52  -8.392  15.604   0.528
  393    H    SER  53           H        SER  53  -3.369  18.116   1.271
  394    HA   SER  53           HA       SER  53  -2.530  17.931  -1.525
  395   1HB   SER  53          2HB       SER  53  -2.618  20.169  -0.782
  396   2HB   SER  53          3HB       SER  53  -1.864  19.779   0.761
  397    HG   SER  53           HG       SER  53   0.071  19.503  -0.268
  398    H    SER  54           H        SER  54  -1.591  16.855   1.631
  399    HA   SER  54           HA       SER  54   1.142  16.233   0.871
  400   1HB   SER  54          2HB       SER  54   1.514  15.879   3.095
  401   2HB   SER  54          3HB       SER  54   0.043  16.831   3.253
  402    HG   SER  54           HG       SER  54  -1.126  14.892   3.365
  403    H    THR  55           H        THR  55  -1.876  14.465   1.496
  404    HA   THR  55           HA       THR  55  -0.889  11.856   1.298
  405    HB   THR  55           HB       THR  55  -3.585  12.628   0.202
  406    HG1  THR  55           HG1      THR  55  -3.173  13.769   2.168
  407   1HG2  THR  55          1HG2      THR  55  -4.223  10.482   0.874
  408   2HG2  THR  55          2HG2      THR  55  -2.558  10.218   0.358
  409   3HG2  THR  55          3HG2      THR  55  -2.936  10.367   2.074
  410    H    ILE  56           H        ILE  56  -1.782  14.171  -1.208
  411    HA   ILE  56           HA       ILE  56  -1.777  12.443  -3.426
  412    HB   ILE  56           HB       ILE  56  -1.065  15.375  -3.190
  413   1HG1  ILE  56          2HG1      ILE  56  -3.522  14.062  -4.382
  414   2HG1  ILE  56          3HG1      ILE  56  -3.433  14.534  -2.685
  415   1HG2  ILE  56          1HG2      ILE  56  -1.177  13.525  -5.561
  416   2HG2  ILE  56          2HG2      ILE  56  -1.646  15.215  -5.751
  417   3HG2  ILE  56          3HG2      ILE  56  -0.019  14.807  -5.204
  418   1HD1  ILE  56          1HD1      ILE  56  -3.337  16.301  -5.130
  419   2HD1  ILE  56          2HD1      ILE  56  -4.418  16.406  -3.740
  420   3HD1  ILE  56          3HD1      ILE  56  -2.723  16.861  -3.574
  421    H    THR  57           H        THR  57   0.855  14.348  -1.967
  422    HA   THR  57           HA       THR  57   2.879  13.524  -3.767
  423    HB   THR  57           HB       THR  57   3.419  14.213  -0.886
  424    HG1  THR  57           HG1      THR  57   3.424  16.432  -2.127
  425   1HG2  THR  57          1HG2      THR  57   4.821  15.134  -3.397
  426   2HG2  THR  57          2HG2      THR  57   5.439  15.113  -1.745
  427   3HG2  THR  57          3HG2      THR  57   5.216  13.600  -2.622
  428    H    LEU  58           H        LEU  58   2.006  12.367  -0.514
  429    HA   LEU  58           HA       LEU  58   3.898  10.305  -0.326
  430   1HB   LEU  58          2HB       LEU  58   2.201  11.287   1.435
  431   2HB   LEU  58          3HB       LEU  58   1.163   9.982   0.859
  432    HG   LEU  58           HG       LEU  58   3.391   8.550   1.176
  433   1HD1  LEU  58          1HD1      LEU  58   4.722   9.313   3.050
  434   2HD1  LEU  58          2HD1      LEU  58   4.680  10.607   1.853
  435   3HD1  LEU  58          3HD1      LEU  58   3.667  10.705   3.293
  436   1HD2  LEU  58          1HD2      LEU  58   2.585   8.004   3.474
  437   2HD2  LEU  58          2HD2      LEU  58   1.545   9.428   3.421
  438   3HD2  LEU  58          3HD2      LEU  58   1.268   8.092   2.304
  439    H    LYS  59           H        LYS  59   0.565  10.279  -1.545
  440    HA   LYS  59           HA       LYS  59   0.145   7.622  -2.069
  441   1HB   LYS  59          2HB       LYS  59  -1.521   9.381  -2.503
  442   2HB   LYS  59          3HB       LYS  59  -0.571   9.947  -3.874
  443   1HG   LYS  59          2HG       LYS  59  -0.820   7.713  -4.940
  444   2HG   LYS  59          3HG       LYS  59  -1.835   7.208  -3.590
  445   1HD   LYS  59          2HD       LYS  59  -3.226   9.352  -4.174
  446   2HD   LYS  59          3HD       LYS  59  -2.421   9.227  -5.740
  447   1HE   LYS  59          2HE       LYS  59  -3.164   6.736  -5.675
  448   2HE   LYS  59          3HE       LYS  59  -4.287   7.261  -4.421
  449   1HZ   LYS  59          1HZ       LYS  59  -4.524   7.545  -7.200
  450   1HZ   LYS  59          1HZ       LYS  59  -4.421   9.098  -6.518
  451   3HZ   LYS  59          3HZ       LYS  59  -5.622   8.015  -5.996
  452    H    ALA  60           H        ALA  60   1.553   9.929  -4.404
  453    HA   ALA  60           HA       ALA  60   2.319   7.995  -6.307
  454   1HB   ALA  60          1HB       ALA  60   2.175  10.340  -6.904
  455   2HB   ALA  60          2HB       ALA  60   3.433  10.751  -5.738
  456   3HB   ALA  60          3HB       ALA  60   3.831   9.790  -7.163
  457    H    GLY  61           H        GLY  61   3.785   9.084  -3.349
  458   1HA   GLY  61          1HA       GLY  61   6.448   8.238  -3.808
  459   2HA   GLY  61          2HA       GLY  61   5.703   8.483  -2.232
  460    H    ILE  62           H        ILE  62   3.835   6.652  -1.941
  461    HA   ILE  62           HA       ILE  62   5.229   4.245  -1.486
  462    HB   ILE  62           HB       ILE  62   2.445   3.649  -1.677
  463   1HG1  ILE  62          2HG1      ILE  62   3.016   6.268  -0.242
  464   2HG1  ILE  62          3HG1      ILE  62   2.112   6.122  -1.749
  465   1HG2  ILE  62          1HG2      ILE  62   4.170   4.329   0.725
  466   2HG2  ILE  62          2HG2      ILE  62   2.670   3.401   0.748
  467   3HG2  ILE  62          3HG2      ILE  62   4.097   2.748  -0.055
  468   1HD1  ILE  62          1HD1      ILE  62   0.511   4.589  -0.565
  469   2HD1  ILE  62          2HD1      ILE  62   1.360   4.944   0.940
  470   3HD1  ILE  62          3HD1      ILE  62   0.522   6.232   0.075
  471    H    GLU  63           H        GLU  63   2.733   5.003  -3.921
  472    HA   GLU  63           HA       GLU  63   2.585   2.658  -5.313
  473   1HB   GLU  63          2HB       GLU  63   2.027   5.425  -5.863
  474   2HB   GLU  63          3HB       GLU  63   2.744   4.684  -7.292
  475   1HG   GLU  63          2HG       GLU  63   0.279   4.431  -7.275
  476   2HG   GLU  63          3HG       GLU  63   1.095   2.871  -7.214
  477    H    ARG  64           H        ARG  64   4.911   5.267  -6.028
  478    HA   ARG  64           HA       ARG  64   6.377   3.961  -8.001
  479   1HB   ARG  64          2HB       ARG  64   7.155   6.062  -5.978
  480   2HB   ARG  64          3HB       ARG  64   8.278   5.484  -7.210
  481   1HG   ARG  64          2HG       ARG  64   5.526   6.365  -8.040
  482   2HG   ARG  64          3HG       ARG  64   6.753   7.585  -7.700
  483   1HD   ARG  64          2HD       ARG  64   8.251   6.610  -9.348
  484   2HD   ARG  64          3HD       ARG  64   7.140   5.270  -9.618
  485    HE   ARG  64           HE       ARG  64   5.639   6.806 -10.706
  486   1HH1  ARG  64          1HH1      ARG  64   8.173   7.267 -12.231
  487   2HH1  ARG  64          2HH1      ARG  64   8.309   8.994 -12.227
  488   1HH2  ARG  64          1HH2      ARG  64   6.040   9.429  -9.643
  489   2HH2  ARG  64          2HH2      ARG  64   7.101  10.217 -10.762
  490    H    ALA  65           H        ALA  65   6.932   4.024  -4.482
  491    HA   ALA  65           HA       ALA  65   9.252   2.455  -4.422
  492   1HB   ALA  65          1HB       ALA  65   8.714   3.519  -2.402
  493   2HB   ALA  65          2HB       ALA  65   7.046   2.949  -2.435
  494   3HB   ALA  65          3HB       ALA  65   8.355   1.824  -2.071
  495    H    LEU  66           H        LEU  66   5.833   1.491  -4.234
  496    HA   LEU  66           HA       LEU  66   6.208  -1.261  -3.872
  497   1HB   LEU  66          2HB       LEU  66   4.016   0.487  -4.841
  498   2HB   LEU  66          3HB       LEU  66   3.926  -1.206  -5.327
  499    HG   LEU  66           HG       LEU  66   4.317  -1.811  -2.887
  500   1HD1  LEU  66          1HD1      LEU  66   3.633   1.118  -2.483
  501   2HD1  LEU  66          2HD1      LEU  66   3.888  -0.082  -1.217
  502   3HD1  LEU  66          3HD1      LEU  66   5.234   0.420  -2.238
  503   1HD2  LEU  66          1HD2      LEU  66   1.978  -1.444  -2.275
  504   2HD2  LEU  66          2HD2      LEU  66   1.834  -0.168  -3.484
  505   3HD2  LEU  66          3HD2      LEU  66   2.074  -1.841  -3.990
  506    H    HIS  67           H        HIS  67   5.595   0.504  -6.914
  507    HA   HIS  67           HA       HIS  67   5.890  -1.624  -8.684
  508   1HB   HIS  67          2HB       HIS  67   6.554   1.307  -9.040
  509   2HB   HIS  67          3HB       HIS  67   6.503   0.141 -10.361
  510    HD1  HIS  67           HD1      HIS  67   4.442   1.192 -11.493
  511    HD2  HIS  67           HD2      HIS  67   3.740   0.050  -7.546
  512    HE1  HIS  67           HE1      HIS  67   1.939   1.331 -11.141
  513    H    GLU  68           H        GLU  68   8.360   0.563  -7.367
  514    HA   GLU  68           HA       GLU  68  10.535  -0.475  -8.861
  515   1HB   GLU  68          2HB       GLU  68  10.312   1.714  -7.415
  516   2HB   GLU  68          3HB       GLU  68  10.919   0.680  -6.122
  517   1HG   GLU  68          2HG       GLU  68  12.908   1.495  -7.022
  518   2HG   GLU  68          3HG       GLU  68  12.720  -0.016  -7.911
  519    H    GLU  69           H        GLU  69   9.333  -1.175  -5.591
  520    HA   GLU  69           HA       GLU  69  11.318  -3.236  -5.152
  521   1HB   GLU  69          2HB       GLU  69   8.938  -2.275  -3.560
  522   2HB   GLU  69          3HB       GLU  69   9.962  -3.614  -3.043
  523   1HG   GLU  69          2HG       GLU  69  11.937  -2.147  -3.098
  524   2HG   GLU  69          3HG       GLU  69  10.936  -0.805  -3.648
  525    H    VAL  70           H        VAL  70   8.574  -3.134  -6.968
  526    HA   VAL  70           HA       VAL  70   8.362  -6.035  -7.041
  527    HB   VAL  70           HB       VAL  70   5.865  -4.382  -6.568
  528   1HG1  VAL  70          1HG1      VAL  70   6.322  -7.376  -6.423
  529   2HG1  VAL  70          2HG1      VAL  70   4.776  -6.530  -6.355
  530   3HG1  VAL  70          3HG1      VAL  70   5.704  -6.551  -7.854
  531   1HG2  VAL  70          1HG2      VAL  70   7.436  -6.109  -4.625
  532   2HG2  VAL  70          2HG2      VAL  70   7.207  -4.364  -4.515
  533   3HG2  VAL  70          3HG2      VAL  70   5.832  -5.449  -4.313
  534    HA   PRO  71           HA       PRO  71   7.858  -3.742 -11.052
  535   1HB   PRO  71          2HB       PRO  71  10.048  -5.288 -12.124
  536   2HB   PRO  71          3HB       PRO  71   9.974  -3.544 -11.831
  537   1HG   PRO  71          2HG       PRO  71  11.549  -5.336 -10.443
  538   2HG   PRO  71          3HG       PRO  71  11.109  -3.715  -9.896
  539   1HD   PRO  71          2HD       PRO  71  10.017  -6.355  -9.046
  540   2HD   PRO  71          3HD       PRO  71  10.169  -4.841  -8.127
  541    H    GLY  72           H        GLY  72   6.329  -4.521 -12.350
  542   1HA   GLY  72          1HA       GLY  72   6.159  -6.517 -14.056
  543   2HA   GLY  72          2HA       GLY  72   5.915  -7.418 -12.562
  544    H    VAL  73           H        VAL  73   4.668  -4.699 -11.615
  545    HA   VAL  73           HA       VAL  73   1.959  -5.468 -11.894
  546    HB   VAL  73           HB       VAL  73   1.454  -3.384 -10.771
  547   1HG1  VAL  73          1HG1      VAL  73   4.104  -4.336  -9.675
  548   2HG1  VAL  73          2HG1      VAL  73   2.724  -3.705  -8.777
  549   3HG1  VAL  73          3HG1      VAL  73   2.629  -5.292  -9.540
  550   1HG2  VAL  73          1HG2      VAL  73   3.574  -1.894 -10.289
  551   2HG2  VAL  73          2HG2      VAL  73   4.194  -2.639 -11.761
  552   3HG2  VAL  73          3HG2      VAL  73   2.702  -1.701 -11.809
  553    H    ILE  74           H        ILE  74   0.260  -4.039 -12.755
  554    HA   ILE  74           HA       ILE  74   1.080  -2.775 -15.296
  555    HB   ILE  74           HB       ILE  74  -1.596  -4.052 -15.147
  556   1HG1  ILE  74          2HG1      ILE  74   0.979  -5.648 -15.410
  557   2HG1  ILE  74          3HG1      ILE  74  -0.177  -5.772 -14.086
  558   1HG2  ILE  74          1HG2      ILE  74   0.522  -4.247 -17.287
  559   2HG2  ILE  74          2HG2      ILE  74  -1.231  -4.344 -17.464
  560   3HG2  ILE  74          3HG2      ILE  74  -0.467  -2.797 -17.105
  561   1HD1  ILE  74          1HD1      ILE  74  -0.653  -7.579 -15.599
  562   2HD1  ILE  74          2HD1      ILE  74  -1.933  -6.384 -15.806
  563   3HD1  ILE  74          3HD1      ILE  74  -0.631  -6.495 -16.990
  564    H    GLU  75           H        GLU  75  -1.170  -2.866 -12.593
  565    HA   GLU  75           HA       GLU  75  -1.611  -0.026 -12.758
  566   1HB   GLU  75          2HB       GLU  75  -3.238  -1.333 -14.432
  567   2HB   GLU  75          3HB       GLU  75  -4.163  -1.556 -12.947
  568   1HG   GLU  75          2HG       GLU  75  -4.047   0.909 -12.555
  569   2HG   GLU  75          3HG       GLU  75  -3.233   1.086 -14.109
  570    H    VAL  76           H        VAL  76  -2.813   0.776 -10.913
  571    HA   VAL  76           HA       VAL  76  -3.548  -1.135  -8.842
  572    HB   VAL  76           HB       VAL  76  -1.196  -0.972  -8.384
  573   1HG1  VAL  76          1HG1      VAL  76  -1.532   2.043  -8.363
  574   2HG1  VAL  76          2HG1      VAL  76  -0.034   1.146  -8.122
  575   3HG1  VAL  76          3HG1      VAL  76  -0.825   1.132  -9.697
  576   1HG2  VAL  76          1HG2      VAL  76  -2.490   1.008  -6.499
  577   2HG2  VAL  76          2HG2      VAL  76  -2.913  -0.704  -6.488
  578   3HG2  VAL  76          3HG2      VAL  76  -1.260  -0.203  -6.134
  579    H    GLU  77           H        GLU  77  -5.322  -0.429  -7.879
  580    HA   GLU  77           HA       GLU  77  -6.042   2.414  -8.121
  581   1HB   GLU  77          2HB       GLU  77  -7.704  -0.024  -7.445
  582   2HB   GLU  77          3HB       GLU  77  -8.322   1.626  -7.494
  583   1HG   GLU  77          2HG       GLU  77  -8.826   0.707  -9.633
  584   2HG   GLU  77          3HG       GLU  77  -7.426   1.747  -9.886
  585    H    GLN  78           H        GLN  78  -5.041   3.445  -6.469
  586    HA   GLN  78           HA       GLN  78  -5.432   2.395  -3.741
  587   1HB   GLN  78          2HB       GLN  78  -3.094   2.970  -4.541
  588   2HB   GLN  78          3HB       GLN  78  -3.610   4.656  -4.589
  589   1HG   GLN  78          2HG       GLN  78  -4.472   3.960  -2.104
  590   2HG   GLN  78          3HG       GLN  78  -3.065   2.912  -2.252
  591   1HE2  GLN  78          2HE2      GLN  78  -3.966   5.956  -1.220
  592   2HE2  GLN  78          1HE2      GLN  78  -2.475   6.749  -1.385
  593    H    VAL  79           H        VAL  79  -7.502   3.058  -3.310
  594    HA   VAL  79           HA       VAL  79  -8.268   5.835  -3.765
  595    HB   VAL  79           HB       VAL  79 -10.465   5.160  -2.975
  596   1HG1  VAL  79          1HG1      VAL  79  -9.415   2.891  -4.675
  597   2HG1  VAL  79          2HG1      VAL  79 -11.011   3.642  -4.723
  598   3HG1  VAL  79          3HG1      VAL  79  -9.603   4.527  -5.309
  599   1HG2  VAL  79          1HG2      VAL  79 -10.148   3.692  -1.177
  600   2HG2  VAL  79          2HG2      VAL  79 -10.660   2.587  -2.451
  601   3HG2  VAL  79          3HG2      VAL  79  -8.951   2.729  -2.043
  602    H    PHE  80           H        PHE  80  -7.898   7.387  -2.332
  603    HA   PHE  80           HA       PHE  80  -7.189   6.660   0.419
  604   1HB   PHE  80          2HB       PHE  80  -6.687   9.217   0.497
  605   2HB   PHE  80          3HB       PHE  80  -5.596   8.160  -0.396
  606    HD1  PHE  80           HD1      PHE  80  -8.473  10.497  -0.755
  607    HD2  PHE  80           HD2      PHE  80  -5.317   8.374  -2.753
  608    HE1  PHE  80           HE1      PHE  80  -8.915  11.787  -2.823
  609    HE2  PHE  80           HE2      PHE  80  -5.760   9.668  -4.822
  610    HZ   PHE  80           HZ       PHE  80  -7.559  11.373  -4.857
  611    H    LEU  81           H        LEU  81  -8.349   7.275   2.194
  612    HA   LEU  81           HA       LEU  81 -11.062   8.258   1.665
  613   1HB   LEU  81          2HB       LEU  81 -10.563   6.156   3.050
  614   2HB   LEU  81          3HB       LEU  81 -10.023   7.264   4.312
  615    HG   LEU  81           HG       LEU  81 -12.382   8.429   3.657
  616   1HD1  LEU  81          1HD1      LEU  81 -14.071   6.776   3.217
  617   2HD1  LEU  81          2HD1      LEU  81 -12.802   6.541   2.015
  618   3HD1  LEU  81          3HD1      LEU  81 -12.914   5.458   3.402
  619   1HD2  LEU  81          1HD2      LEU  81 -11.812   6.181   5.603
  620   2HD2  LEU  81          2HD2      LEU  81 -11.808   7.915   5.922
  621   3HD2  LEU  81          3HD2      LEU  81 -13.329   7.080   5.608
  622    H    GLU  82           H        GLU  82  -9.140  10.207   1.364
  623    HA   GLU  82           HA       GLU  82  -8.701  12.376   1.968
  624   1HB   GLU  82          2HB       GLU  82 -10.825  12.047   4.091
  625   2HB   GLU  82          3HB       GLU  82 -10.279  13.537   3.327
  626   1HG   GLU  82          2HG       GLU  82 -12.097  13.218   1.988
  627   2HG   GLU  82          3HG       GLU  82 -11.016  12.126   1.126
  628    H    HIS  83           H        HIS  83  -7.620  13.648   3.522
  629    HA   HIS  83           HA       HIS  83  -7.048  12.908   6.166
  630   1HB   HIS  83          2HB       HIS  83  -5.856  10.992   5.271
  631   2HB   HIS  83          3HB       HIS  83  -4.980  12.017   4.136
  632    HD1  HIS  83           HD1      HIS  83  -2.664  11.456   5.163
  633    HD2  HIS  83           HD2      HIS  83  -5.322  13.158   7.886
  634    HE1  HIS  83           HE1      HIS  83  -1.297  12.091   7.198
  635    H    HIS  84           H        HIS  84  -7.569  15.219   5.986
  636    HA   HIS  84           HA       HIS  84  -5.965  17.095   4.650
  637   1HB   HIS  84          2HB       HIS  84  -6.866  18.732   6.331
  638   2HB   HIS  84          3HB       HIS  84  -8.099  17.779   5.510
  639    HD1  HIS  84           HD1      HIS  84  -9.859  17.593   7.305
  640    HD2  HIS  84           HD2      HIS  84  -6.074  16.571   8.722
  641    HE1  HIS  84           HE1      HIS  84 -10.190  16.687   9.646
  642    H    HIS  85           H        HIS  85  -4.809  18.890   6.097
  643    HA   HIS  85           HA       HIS  85  -2.982  17.555   7.992
  644   1HB   HIS  85          2HB       HIS  85  -1.952  17.724   5.699
  645   2HB   HIS  85          3HB       HIS  85  -2.068  19.478   5.841
  646    HD1  HIS  85           HD1      HIS  85   0.218  20.314   6.394
  647    HD2  HIS  85           HD2      HIS  85  -0.708  16.857   8.530
  648    HE1  HIS  85           HE1      HIS  85   2.158  19.905   7.970
  649    H    HIS  86           H        HIS  86  -1.894  19.000   9.452
  650    HA   HIS  86           HA       HIS  86  -3.512  20.898  10.671
  651   1HB   HIS  86          2HB       HIS  86  -1.598  19.862  11.793
  652   2HB   HIS  86          3HB       HIS  86  -0.487  20.707  10.717
  653    HD1  HIS  86           HD1      HIS  86  -3.198  22.954  11.439
  654    HD2  HIS  86           HD2      HIS  86   0.248  21.796  13.481
  655    HE1  HIS  86           HE1      HIS  86  -2.777  24.726  13.198
  656    H    HIS  87           H        HIS  87  -0.648  21.547   8.633
  657    HA   HIS  87           HA       HIS  87  -1.920  23.767   7.326
  658   1HB   HIS  87          2HB       HIS  87  -1.335  24.777   9.536
  659   2HB   HIS  87          3HB       HIS  87   0.358  24.399   9.221
  660    HD1  HIS  87           HD1      HIS  87   1.605  26.296   8.218
  661    HD2  HIS  87           HD2      HIS  87  -2.420  26.387   7.132
  662    HE1  HIS  87           HE1      HIS  87   1.300  28.350   6.770
  663    H    HIS  88           H        HIS  88  -0.445  24.822   5.775
  664    HA   HIS  88           HA       HIS  88   1.068  24.710   4.062
  665   1HB   HIS  88          2HB       HIS  88   2.636  24.866   6.048
  666   2HB   HIS  88          3HB       HIS  88   2.796  23.113   5.967
  667    HD1  HIS  88           HD1      HIS  88   2.530  25.311   2.909
  668    HD2  HIS  88           HD2      HIS  88   5.422  23.099   4.937
  669    HE1  HIS  88           HE1      HIS  88   4.568  25.252   1.408
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1   4.043 -26.791  -6.518
    2   2H    MET   1          2HT       MET   1   2.503 -26.367  -5.937
    3   3H    MET   1          3HT       MET   1   2.661 -27.187  -7.416
    4    HA   MET   1           HA       MET   1   2.154 -28.970  -6.178
    5   1HB   MET   1          2HB       MET   1   4.864 -28.700  -6.687
    6   2HB   MET   1          3HB       MET   1   4.827 -29.131  -4.977
    7   1HG   MET   1          2HG       MET   1   3.104 -30.949  -5.730
    8   2HG   MET   1          3HG       MET   1   3.781 -30.680  -7.336
    9   1HE   MET   1          1HE       MET   1   5.775 -32.135  -8.167
   10   2HE   MET   1          2HE       MET   1   7.283 -31.826  -7.311
   11   3HE   MET   1          3HE       MET   1   6.239 -30.479  -7.758
   12    HA   PRO   2           HA       PRO   2   3.132 -27.782  -1.622
   13   1HB   PRO   2          2HB       PRO   2   3.870 -24.998  -1.490
   14   2HB   PRO   2          3HB       PRO   2   4.830 -26.412  -1.034
   15   1HG   PRO   2          2HG       PRO   2   5.336 -24.739  -3.176
   16   2HG   PRO   2          3HG       PRO   2   6.000 -26.361  -2.949
   17   1HD   PRO   2          2HD       PRO   2   3.807 -25.465  -4.746
   18   2HD   PRO   2          3HD       PRO   2   4.927 -26.835  -4.920
   19    H    THR   3           H        THR   3   2.169 -25.975  -0.016
   20    HA   THR   3           HA       THR   3  -0.575 -25.813  -0.534
   21    HB   THR   3           HB       THR   3   0.610 -23.796   1.304
   22    HG1  THR   3           HG1      THR   3   0.569 -26.259   2.415
   23   1HG2  THR   3          1HG2      THR   3  -1.274 -24.252   2.565
   24   2HG2  THR   3          2HG2      THR   3  -1.882 -24.663   0.963
   25   3HG2  THR   3          3HG2      THR   3  -1.337 -25.937   2.053
   26    H    GLU   4           H        GLU   4  -1.831 -23.697  -0.461
   27    HA   GLU   4           HA       GLU   4  -0.571 -21.592  -2.096
   28   1HB   GLU   4          2HB       GLU   4  -2.718 -21.486  -3.424
   29   2HB   GLU   4          3HB       GLU   4  -1.744 -22.926  -3.712
   30   1HG   GLU   4          2HG       GLU   4  -3.224 -24.324  -2.607
   31   2HG   GLU   4          3HG       GLU   4  -3.817 -23.041  -1.554
   32    H    ASN   5           H        ASN   5  -1.286 -21.835   0.749
   33    HA   ASN   5           HA       ASN   5  -3.470 -19.869   0.975
   34   1HB   ASN   5          2HB       ASN   5  -2.830 -22.179   2.456
   35   2HB   ASN   5          3HB       ASN   5  -2.464 -20.815   3.511
   36   1HD2  ASN   5          2HD2      ASN   5  -4.275 -19.157   3.751
   37   2HD2  ASN   5          1HD2      ASN   5  -5.877 -19.708   3.661
   38    HA   PRO   6           HA       PRO   6   0.128 -17.808   3.359
   39   1HB   PRO   6          2HB       PRO   6   2.609 -19.212   2.900
   40   2HB   PRO   6          3HB       PRO   6   1.729 -19.014   4.422
   41   1HG   PRO   6          2HG       PRO   6   2.055 -21.392   3.066
   42   2HG   PRO   6          3HG       PRO   6   0.820 -21.069   4.291
   43   1HD   PRO   6          2HD       PRO   6   0.551 -21.137   1.317
   44   2HD   PRO   6          3HD       PRO   6  -0.630 -21.574   2.572
   45    H    THR   7           H        THR   7  -0.642 -17.649   0.616
   46    HA   THR   7           HA       THR   7   1.607 -17.179  -1.085
   47    HB   THR   7           HB       THR   7  -0.990 -15.836  -1.657
   48    HG1  THR   7           HG1      THR   7  -0.628 -18.610  -1.307
   49   1HG2  THR   7          1HG2      THR   7  -0.480 -16.420  -3.860
   50   2HG2  THR   7          2HG2      THR   7   1.128 -16.204  -3.169
   51   3HG2  THR   7          3HG2      THR   7   0.467 -17.826  -3.373
   52    H    MET   8           H        MET   8   0.912 -14.702  -2.261
   53    HA   MET   8           HA       MET   8   2.485 -12.885  -0.900
   54   1HB   MET   8          2HB       MET   8   0.176 -12.361  -2.787
   55   2HB   MET   8          3HB       MET   8   1.316 -11.124  -2.256
   56   1HG   MET   8          2HG       MET   8   3.165 -12.274  -3.269
   57   2HG   MET   8          3HG       MET   8   2.182 -13.705  -3.578
   58   1HE   MET   8          1HE       MET   8   2.687 -12.715  -7.157
   59   2HE   MET   8          2HE       MET   8   2.088 -14.055  -6.183
   60   3HE   MET   8          3HE       MET   8   3.592 -13.254  -5.737
   61    H    PHE   9           H        PHE   9  -1.044 -13.254  -0.745
   62    HA   PHE   9           HA       PHE   9  -1.853 -11.156   0.784
   63   1HB   PHE   9          2HB       PHE   9  -3.223 -13.145  -0.035
   64   2HB   PHE   9          3HB       PHE   9  -2.690 -13.986   1.420
   65    HD1  PHE   9           HD1      PHE   9  -4.550 -11.023   0.165
   66    HD2  PHE   9           HD2      PHE   9  -3.618 -13.472   3.569
   67    HE1  PHE   9           HE1      PHE   9  -6.331  -9.892   1.467
   68    HE2  PHE   9           HE2      PHE   9  -5.397 -12.340   4.871
   69    HZ   PHE   9           HZ       PHE   9  -6.754 -10.551   3.821
   70    H    ASP  10           H        ASP  10  -0.024 -13.949   1.837
   71    HA   ASP  10           HA       ASP  10  -0.177 -13.549   4.630
   72   1HB   ASP  10          2HB       ASP  10   0.725 -15.562   3.199
   73   2HB   ASP  10          3HB       ASP  10   2.263 -14.714   3.335
   74    H    GLN  11           H        GLN  11   2.559 -12.849   2.453
   75    HA   GLN  11           HA       GLN  11   4.104 -11.411   4.283
   76   1HB   GLN  11          2HB       GLN  11   4.390 -12.237   1.666
   77   2HB   GLN  11          3HB       GLN  11   4.370 -10.482   1.520
   78   1HG   GLN  11          2HG       GLN  11   6.110 -10.350   3.305
   79   2HG   GLN  11          3HG       GLN  11   6.181 -12.110   3.326
   80   1HE2  GLN  11          2HE2      GLN  11   5.922  -9.908   0.483
   81   2HE2  GLN  11          1HE2      GLN  11   7.360 -10.445  -0.241
   82    H    VAL  12           H        VAL  12   2.020 -10.072   1.711
   83    HA   VAL  12           HA       VAL  12   2.447  -7.400   2.247
   84    HB   VAL  12           HB       VAL  12   0.336  -6.979   1.134
   85   1HG1  VAL  12          1HG1      VAL  12   0.807  -8.125  -0.885
   86   2HG1  VAL  12          2HG1      VAL  12   2.356  -7.942  -0.061
   87   3HG1  VAL  12          3HG1      VAL  12   1.514  -9.491  -0.023
   88   1HG2  VAL  12          1HG2      VAL  12  -1.231  -8.464   2.110
   89   2HG2  VAL  12          2HG2      VAL  12  -1.008  -9.103   0.484
   90   3HG2  VAL  12          3HG2      VAL  12  -0.190  -9.863   1.846
   91    H    ALA  13           H        ALA  13  -0.307  -9.320   3.448
   92    HA   ALA  13           HA       ALA  13  -1.334  -7.434   5.147
   93   1HB   ALA  13          1HB       ALA  13  -2.183  -9.419   6.490
   94   2HB   ALA  13          2HB       ALA  13  -2.580  -9.435   4.772
   95   3HB   ALA  13          3HB       ALA  13  -1.268 -10.442   5.383
   96    H    GLU  14           H        GLU  14   1.266  -9.762   5.696
   97    HA   GLU  14           HA       GLU  14   1.668  -9.193   8.453
   98   1HB   GLU  14          2HB       GLU  14   3.448 -10.387   6.330
   99   2HB   GLU  14          3HB       GLU  14   3.973 -10.188   8.001
  100   1HG   GLU  14          2HG       GLU  14   1.359 -11.553   7.378
  101   2HG   GLU  14          3HG       GLU  14   2.872 -12.450   7.289
  102    H    VAL  15           H        VAL  15   3.500  -8.133   5.581
  103    HA   VAL  15           HA       VAL  15   5.221  -6.353   6.908
  104    HB   VAL  15           HB       VAL  15   4.200  -6.358   4.057
  105   1HG1  VAL  15          1HG1      VAL  15   6.429  -5.003   3.775
  106   2HG1  VAL  15          2HG1      VAL  15   4.972  -4.159   4.297
  107   3HG1  VAL  15          3HG1      VAL  15   6.200  -4.613   5.480
  108   1HG2  VAL  15          1HG2      VAL  15   6.479  -7.293   3.623
  109   2HG2  VAL  15          2HG2      VAL  15   6.766  -7.329   5.361
  110   3HG2  VAL  15          3HG2      VAL  15   5.505  -8.338   4.654
  111    H    ILE  16           H        ILE  16   2.178  -5.657   5.161
  112    HA   ILE  16           HA       ILE  16   2.059  -2.913   5.563
  113    HB   ILE  16           HB       ILE  16  -0.217  -4.909   5.509
  114   1HG1  ILE  16          2HG1      ILE  16   0.646  -3.101   3.262
  115   2HG1  ILE  16          3HG1      ILE  16   1.491  -4.624   3.533
  116   1HG2  ILE  16          1HG2      ILE  16  -1.177  -2.934   6.380
  117   2HG2  ILE  16          2HG2      ILE  16  -0.133  -1.893   5.415
  118   3HG2  ILE  16          3HG2      ILE  16  -1.443  -2.787   4.643
  119   1HD1  ILE  16          1HD1      ILE  16  -1.490  -4.299   3.082
  120   2HD1  ILE  16          2HD1      ILE  16  -0.331  -4.956   1.927
  121   3HD1  ILE  16          3HD1      ILE  16  -0.678  -5.828   3.419
  122    H    GLU  17           H        GLU  17   0.747  -5.485   7.666
  123    HA   GLU  17           HA       GLU  17  -0.397  -3.927   9.644
  124   1HB   GLU  17          2HB       GLU  17  -0.644  -6.325   9.699
  125   2HB   GLU  17          3HB       GLU  17   1.096  -6.548   9.886
  126   1HG   GLU  17          2HG       GLU  17   1.072  -5.579  12.084
  127   2HG   GLU  17          3HG       GLU  17  -0.588  -5.022  11.886
  128    H    ARG  18           H        ARG  18   2.983  -5.000   9.383
  129    HA   ARG  18           HA       ARG  18   3.862  -3.671  11.744
  130   1HB   ARG  18          2HB       ARG  18   5.233  -4.928   9.389
  131   2HB   ARG  18          3HB       ARG  18   6.162  -4.012  10.574
  132   1HG   ARG  18          2HG       ARG  18   5.201  -5.435  12.383
  133   2HG   ARG  18          3HG       ARG  18   4.373  -6.392  11.154
  134   1HD   ARG  18          2HD       ARG  18   6.506  -7.034  10.160
  135   2HD   ARG  18          3HD       ARG  18   7.375  -5.996  11.287
  136    HE   ARG  18           HE       ARG  18   7.029  -7.589  12.973
  137   1HH1  ARG  18          1HH2      ARG  18   4.203  -8.315  12.720
  138   2HH1  ARG  18          2HH2      ARG  18   4.240  -9.922  12.074
  139   1HH2  ARG  18          1HH1      ARG  18   7.537  -9.702  11.012
  140   2HH2  ARG  18          2HH1      ARG  18   6.131 -10.708  11.109
  141    H    LEU  19           H        LEU  19   3.922  -2.797   8.297
  142    HA   LEU  19           HA       LEU  19   5.346  -0.340   8.718
  143   1HB   LEU  19          2HB       LEU  19   5.119  -1.803   6.563
  144   2HB   LEU  19          3HB       LEU  19   3.652  -0.861   6.298
  145    HG   LEU  19           HG       LEU  19   5.260   1.182   6.841
  146   1HD1  LEU  19          1HD1      LEU  19   7.194  -0.296   7.379
  147   2HD1  LEU  19          2HD1      LEU  19   7.165  -0.898   5.721
  148   3HD1  LEU  19          3HD1      LEU  19   7.539   0.797   6.038
  149   1HD2  LEU  19          1HD2      LEU  19   5.757   1.332   4.396
  150   2HD2  LEU  19          2HD2      LEU  19   5.231  -0.342   4.217
  151   3HD2  LEU  19          3HD2      LEU  19   4.080   0.895   4.723
  152    H    ARG  20           H        ARG  20   2.009  -1.257   8.879
  153    HA   ARG  20           HA       ARG  20   0.565   0.954   8.226
  154   1HB   ARG  20          2HB       ARG  20   0.251  -1.230  10.137
  155   2HB   ARG  20          3HB       ARG  20  -0.588   0.237  10.639
  156   1HG   ARG  20          2HG       ARG  20  -1.586   0.362   8.326
  157   2HG   ARG  20          3HG       ARG  20  -0.885  -1.223   8.002
  158   1HD   ARG  20          2HD       ARG  20  -2.213  -2.270   9.668
  159   2HD   ARG  20          3HD       ARG  20  -2.658  -0.729  10.394
  160    HE   ARG  20           HE       ARG  20  -3.681  -0.510   7.895
  161   1HH1  ARG  20          1HH2      ARG  20  -3.855  -3.459   7.649
  162   2HH1  ARG  20          2HH2      ARG  20  -5.395  -3.822   8.354
  163   1HH2  ARG  20          1HH1      ARG  20  -5.673  -0.762   9.962
  164   2HH2  ARG  20          2HH1      ARG  20  -6.425  -2.293   9.666
  165    HA   PRO  21           HA       PRO  21   1.196   2.909  12.719
  166   1HB   PRO  21          2HB       PRO  21   3.859   2.112  13.473
  167   2HB   PRO  21          3HB       PRO  21   2.337   1.800  14.322
  168   1HG   PRO  21          2HG       PRO  21   3.895   0.044  12.587
  169   2HG   PRO  21          3HG       PRO  21   2.664  -0.361  13.790
  170   1HD   PRO  21          2HD       PRO  21   2.247  -0.596  11.100
  171   2HD   PRO  21          3HD       PRO  21   0.940  -0.260  12.255
  172    H    PHE  22           H        PHE  22   3.701   2.321  10.320
  173    HA   PHE  22           HA       PHE  22   5.060   4.835  10.734
  174   1HB   PHE  22          2HB       PHE  22   6.225   2.848   9.804
  175   2HB   PHE  22          3HB       PHE  22   5.202   2.939   8.372
  176    HD1  PHE  22           HD1      PHE  22   7.583   4.978  10.422
  177    HD2  PHE  22           HD2      PHE  22   5.816   4.319   6.560
  178    HE1  PHE  22           HE1      PHE  22   9.110   6.664   9.435
  179    HE2  PHE  22           HE2      PHE  22   7.344   6.006   5.575
  180    HZ   PHE  22           HZ       PHE  22   8.990   7.178   7.011
  181    H    LEU  23           H        LEU  23   2.933   3.520   8.189
  182    HA   LEU  23           HA       LEU  23   2.752   5.823   6.607
  183   1HB   LEU  23          2HB       LEU  23   0.642   3.701   7.075
  184   2HB   LEU  23          3HB       LEU  23   0.661   4.853   5.739
  185    HG   LEU  23           HG       LEU  23   3.080   3.138   6.195
  186   1HD1  LEU  23          1HD1      LEU  23   0.381   2.217   5.343
  187   2HD1  LEU  23          2HD1      LEU  23   1.743   1.657   4.373
  188   3HD1  LEU  23          3HD1      LEU  23   1.692   1.313   6.102
  189   1HD2  LEU  23          1HD2      LEU  23   2.991   4.988   4.490
  190   2HD2  LEU  23          2HD2      LEU  23   3.300   3.401   3.787
  191   3HD2  LEU  23          3HD2      LEU  23   1.691   4.115   3.678
  192    H    LEU  24           H        LEU  24   0.809   4.794   9.393
  193    HA   LEU  24           HA       LEU  24  -1.181   6.739   9.328
  194   1HB   LEU  24          2HB       LEU  24  -0.650   4.688  10.966
  195   2HB   LEU  24          3HB       LEU  24  -0.036   5.992  11.976
  196    HG   LEU  24           HG       LEU  24  -2.824   5.838  10.781
  197   1HD1  LEU  24          1HD1      LEU  24  -2.509   4.275  12.643
  198   2HD1  LEU  24          2HD1      LEU  24  -1.808   5.560  13.629
  199   3HD1  LEU  24          3HD1      LEU  24  -3.509   5.630  13.169
  200   1HD2  LEU  24          1HD2      LEU  24  -2.306   8.144  10.916
  201   2HD2  LEU  24          2HD2      LEU  24  -3.127   7.812  12.439
  202   3HD2  LEU  24          3HD2      LEU  24  -1.369   7.936  12.396
  203    H    ARG  25           H        ARG  25   1.906   6.847  11.096
  204    HA   ARG  25           HA       ARG  25   1.689   9.418  12.136
  205   1HB   ARG  25          2HB       ARG  25   4.041   7.691  11.412
  206   2HB   ARG  25          3HB       ARG  25   4.273   9.312  12.063
  207   1HG   ARG  25          2HG       ARG  25   3.025   8.752  14.067
  208   2HG   ARG  25          3HG       ARG  25   2.580   7.181  13.402
  209   1HD   ARG  25          2HD       ARG  25   4.756   6.332  13.610
  210   2HD   ARG  25          3HD       ARG  25   5.481   7.935  13.669
  211    HE   ARG  25           HE       ARG  25   3.750   7.086  15.895
  212   1HH1  ARG  25          1HH2      ARG  25   6.945   6.694  14.880
  213   2HH1  ARG  25          2HH2      ARG  25   7.667   7.346  16.312
  214   1HH2  ARG  25          1HH1      ARG  25   4.665   8.443  17.650
  215   2HH2  ARG  25          2HH1      ARG  25   6.380   8.339  17.875
  216    H    ASP  26           H        ASP  26   2.780   8.413   8.903
  217    HA   ASP  26           HA       ASP  26   3.433  11.221   8.285
  218   1HB   ASP  26          2HB       ASP  26   4.961   9.188   7.771
  219   2HB   ASP  26          3HB       ASP  26   3.872   8.913   6.415
  220    H    GLY  27           H        GLY  27   1.751   8.529   6.616
  221   1HA   GLY  27          1HA       GLY  27   0.170  10.516   5.120
  222   2HA   GLY  27          2HA       GLY  27   0.384   8.827   4.679
  223    H    GLY  28           H        GLY  28  -0.631   7.206   6.142
  224   1HA   GLY  28          1HA       GLY  28  -2.615   7.880   8.036
  225   2HA   GLY  28          2HA       GLY  28  -3.375   7.681   6.459
  226    H    ASP  29           H        ASP  29  -4.506   5.824   7.025
  227    HA   ASP  29           HA       ASP  29  -2.894   3.452   7.732
  228   1HB   ASP  29          2HB       ASP  29  -4.667   3.879   9.320
  229   2HB   ASP  29          3HB       ASP  29  -5.853   4.010   8.026
  230    H    CYS  30           H        CYS  30  -2.727   1.794   6.362
  231    HA   CYS  30           HA       CYS  30  -4.039   2.027   3.742
  232   1HB   CYS  30          2HB       CYS  30  -1.634   0.516   4.756
  233   2HB   CYS  30          3HB       CYS  30  -2.360   0.159   3.189
  234    HG   CYS  30           HG       CYS  30  -0.678   2.619   3.843
  235    H    THR  31           H        THR  31  -5.151   0.249   2.810
  236    HA   THR  31           HA       THR  31  -5.721  -2.065   4.508
  237    HB   THR  31           HB       THR  31  -7.945  -0.288   3.466
  238    HG1  THR  31           HG1      THR  31  -8.056  -0.476   6.043
  239   1HG2  THR  31          1HG2      THR  31  -9.122  -1.896   5.243
  240   2HG2  THR  31          2HG2      THR  31  -8.930  -2.372   3.557
  241   3HG2  THR  31          3HG2      THR  31  -7.802  -2.968   4.776
  242    H    LEU  32           H        LEU  32  -5.268  -3.693   3.188
  243    HA   LEU  32           HA       LEU  32  -5.378  -3.539   0.339
  244   1HB   LEU  32          2HB       LEU  32  -4.209  -5.231   2.203
  245   2HB   LEU  32          3HB       LEU  32  -5.445  -6.241   1.458
  246    HG   LEU  32           HG       LEU  32  -3.430  -4.609  -0.115
  247   1HD1  LEU  32          1HD1      LEU  32  -2.281  -6.758  -0.504
  248   2HD1  LEU  32          2HD1      LEU  32  -2.311  -6.365   1.215
  249   3HD1  LEU  32          3HD1      LEU  32  -3.427  -7.567   0.565
  250   1HD2  LEU  32          1HD2      LEU  32  -5.277  -6.883  -0.927
  251   2HD2  LEU  32          2HD2      LEU  32  -5.563  -5.179  -1.277
  252   3HD2  LEU  32          3HD2      LEU  32  -4.181  -6.004  -1.992
  253    H    VAL  33           H        VAL  33  -7.030  -3.937  -1.006
  254    HA   VAL  33           HA       VAL  33  -9.568  -4.847   0.165
  255    HB   VAL  33           HB       VAL  33  -8.877  -3.342  -2.356
  256   1HG1  VAL  33          1HG1      VAL  33 -10.606  -4.845  -3.057
  257   2HG1  VAL  33          2HG1      VAL  33 -11.479  -4.656  -1.536
  258   3HG1  VAL  33          3HG1      VAL  33 -11.413  -3.322  -2.687
  259   1HG2  VAL  33          1HG2      VAL  33 -10.626  -2.740   0.052
  260   2HG2  VAL  33          2HG2      VAL  33  -9.024  -2.065  -0.250
  261   3HG2  VAL  33          3HG2      VAL  33 -10.367  -1.658  -1.317
  262    H    ASP  34           H        ASP  34  -7.310  -5.601  -2.485
  263    HA   ASP  34           HA       ASP  34  -8.188  -8.349  -2.482
  264   1HB   ASP  34          2HB       ASP  34  -9.844  -6.893  -3.924
  265   2HB   ASP  34          3HB       ASP  34  -8.554  -6.982  -5.120
  266    H    VAL  35           H        VAL  35  -6.744  -9.714  -3.430
  267    HA   VAL  35           HA       VAL  35  -4.293  -8.475  -4.519
  268    HB   VAL  35           HB       VAL  35  -4.719 -11.122  -3.107
  269   1HG1  VAL  35          1HG1      VAL  35  -2.084 -11.021  -3.300
  270   2HG1  VAL  35          2HG1      VAL  35  -3.042 -11.670  -4.629
  271   3HG1  VAL  35          3HG1      VAL  35  -2.430 -10.018  -4.708
  272   1HG2  VAL  35          1HG2      VAL  35  -4.608  -9.368  -1.500
  273   2HG2  VAL  35          2HG2      VAL  35  -2.971 -10.021  -1.567
  274   3HG2  VAL  35          3HG2      VAL  35  -3.355  -8.515  -2.402
  275    H    GLU  36           H        GLU  36  -4.553  -8.447  -6.687
  276    HA   GLU  36           HA       GLU  36  -5.544 -10.884  -8.024
  277   1HB   GLU  36          2HB       GLU  36  -6.482  -8.439  -8.397
  278   2HB   GLU  36          3HB       GLU  36  -5.092  -8.305  -9.474
  279   1HG   GLU  36          2HG       GLU  36  -5.828 -10.148 -10.809
  280   2HG   GLU  36          3HG       GLU  36  -7.034 -10.620  -9.616
  281    H    ASP  37           H        ASP  37  -4.471 -11.061 -10.331
  282    HA   ASP  37           HA       ASP  37  -1.838 -11.897  -9.986
  283   1HB   ASP  37          2HB       ASP  37  -3.591 -11.353 -12.329
  284   2HB   ASP  37          3HB       ASP  37  -1.862 -11.509 -12.629
  285    H    GLY  38           H        GLY  38  -2.983  -8.737 -10.113
  286   1HA   GLY  38          1HA       GLY  38  -0.475  -7.532  -9.837
  287   2HA   GLY  38          2HA       GLY  38  -0.934  -7.395 -11.530
  288    H    ILE  39           H        ILE  39  -3.839  -7.305 -10.691
  289    HA   ILE  39           HA       ILE  39  -3.972  -4.429 -10.348
  290    HB   ILE  39           HB       ILE  39  -6.275  -6.385 -10.545
  291   1HG1  ILE  39          2HG1      ILE  39  -6.125  -5.311 -13.010
  292   2HG1  ILE  39          3HG1      ILE  39  -4.412  -5.265 -12.598
  293   1HG2  ILE  39          1HG2      ILE  39  -6.102  -3.455 -11.300
  294   2HG2  ILE  39          2HG2      ILE  39  -7.553  -4.451 -11.205
  295   3HG2  ILE  39          3HG2      ILE  39  -6.686  -4.014  -9.734
  296   1HD1  ILE  39          1HD1      ILE  39  -5.133  -7.793 -11.771
  297   2HD1  ILE  39          2HD1      ILE  39  -6.128  -7.572 -13.209
  298   3HD1  ILE  39          3HD1      ILE  39  -4.376  -7.415 -13.318
  299    H    VAL  40           H        VAL  40  -2.858  -4.977  -8.159
  300    HA   VAL  40           HA       VAL  40  -4.564  -5.881  -6.034
  301    HB   VAL  40           HB       VAL  40  -1.804  -4.755  -6.253
  302   1HG1  VAL  40          1HG1      VAL  40  -3.546  -4.641  -3.787
  303   2HG1  VAL  40          2HG1      VAL  40  -1.799  -4.843  -3.651
  304   3HG1  VAL  40          3HG1      VAL  40  -2.462  -3.408  -4.431
  305   1HG2  VAL  40          1HG2      VAL  40  -2.648  -6.983  -4.444
  306   2HG2  VAL  40          2HG2      VAL  40  -2.729  -7.264  -6.184
  307   3HG2  VAL  40          3HG2      VAL  40  -1.195  -6.828  -5.430
  308    H    LYS  41           H        LYS  41  -6.181  -4.754  -5.205
  309    HA   LYS  41           HA       LYS  41  -6.347  -1.871  -5.570
  310   1HB   LYS  41          2HB       LYS  41  -8.195  -3.969  -4.437
  311   2HB   LYS  41          3HB       LYS  41  -8.533  -2.248  -4.250
  312   1HG   LYS  41          2HG       LYS  41  -8.695  -1.910  -6.592
  313   2HG   LYS  41          3HG       LYS  41  -7.921  -3.454  -6.953
  314   1HD   LYS  41          2HD       LYS  41  -9.847  -4.675  -6.108
  315   2HD   LYS  41          3HD       LYS  41 -10.605  -3.178  -5.568
  316   1HE   LYS  41          2HE       LYS  41 -11.030  -2.452  -7.768
  317   2HE   LYS  41          3HE       LYS  41  -9.841  -3.556  -8.460
  318   1HZ   LYS  41          1HZ       LYS  41 -11.682  -4.754  -8.894
  319   1HZ   LYS  41          1HZ       LYS  41 -12.588  -4.052  -7.640
  320   3HZ   LYS  41          3HZ       LYS  41 -11.472  -5.287  -7.298
  321    H    LEU  42           H        LEU  42  -6.462  -0.368  -3.844
  322    HA   LEU  42           HA       LEU  42  -5.724  -1.316  -1.165
  323   1HB   LEU  42          2HB       LEU  42  -3.606  -0.864  -2.411
  324   2HB   LEU  42          3HB       LEU  42  -4.142   0.795  -2.659
  325    HG   LEU  42           HG       LEU  42  -4.204   1.158  -0.227
  326   1HD1  LEU  42          1HD1      LEU  42  -4.699  -0.841   0.832
  327   2HD1  LEU  42          2HD1      LEU  42  -3.648  -1.787  -0.219
  328   3HD1  LEU  42          3HD1      LEU  42  -2.955  -0.803   1.071
  329   1HD2  LEU  42          1HD2      LEU  42  -2.015   1.183  -1.742
  330   2HD2  LEU  42          2HD2      LEU  42  -1.915   1.445  -0.001
  331   3HD2  LEU  42          3HD2      LEU  42  -1.542  -0.140  -0.676
  332    H    GLN  43           H        GLN  43  -5.973   0.391   0.485
  333    HA   GLN  43           HA       GLN  43  -7.559   2.718  -0.355
  334   1HB   GLN  43          2HB       GLN  43  -8.523   0.453   1.346
  335   2HB   GLN  43          3HB       GLN  43  -9.070   2.090   1.716
  336   1HG   GLN  43          2HG       GLN  43  -9.973   2.368  -0.499
  337   2HG   GLN  43          3HG       GLN  43  -9.243   0.861  -1.046
  338   1HE2  GLN  43          2HE2      GLN  43 -11.881   0.851  -1.486
  339   2HE2  GLN  43          1HE2      GLN  43 -12.733  -0.028  -0.310
  340    H    LEU  44           H        LEU  44  -6.372   4.337   0.423
  341    HA   LEU  44           HA       LEU  44  -5.052   4.071   3.033
  342   1HB   LEU  44          2HB       LEU  44  -4.371   5.370   0.624
  343   2HB   LEU  44          3HB       LEU  44  -4.705   6.654   1.784
  344    HG   LEU  44           HG       LEU  44  -2.968   4.298   2.526
  345   1HD1  LEU  44          1HD1      LEU  44  -1.944   5.255   0.532
  346   2HD1  LEU  44          2HD1      LEU  44  -2.119   6.884   1.185
  347   3HD1  LEU  44          3HD1      LEU  44  -1.011   5.741   1.947
  348   1HD2  LEU  44          1HD2      LEU  44  -3.959   6.008   4.204
  349   2HD2  LEU  44          2HD2      LEU  44  -2.229   5.696   4.291
  350   3HD2  LEU  44          3HD2      LEU  44  -2.823   7.156   3.500
  351    H    HIS  45           H        HIS  45  -5.533   5.371   4.798
  352    HA   HIS  45           HA       HIS  45  -7.391   7.547   4.619
  353   1HB   HIS  45          2HB       HIS  45  -9.271   6.655   5.711
  354   2HB   HIS  45          3HB       HIS  45  -8.835   5.419   4.538
  355    HD1  HIS  45           HD1      HIS  45  -9.030   6.082   8.204
  356    HD2  HIS  45           HD2      HIS  45  -7.660   3.052   5.687
  357    HE1  HIS  45           HE1      HIS  45  -8.659   4.048   9.666
  358    H    GLY  46           H        GLY  46  -6.431   8.951   5.900
  359   1HA   GLY  46          1HA       GLY  46  -5.042   8.029   8.323
  360   2HA   GLY  46          2HA       GLY  46  -4.836   9.595   7.543
  361    H    ALA  47           H        ALA  47  -6.491  11.190   7.786
  362    HA   ALA  47           HA       ALA  47  -7.688  11.178  10.407
  363   1HB   ALA  47          1HB       ALA  47  -6.949  13.303   9.852
  364   2HB   ALA  47          2HB       ALA  47  -7.437  13.146   8.164
  365   3HB   ALA  47          3HB       ALA  47  -8.651  13.427   9.411
  366    H    CYS  48           H        CYS  48  -9.428  12.465   7.652
  367    HA   CYS  48           HA       CYS  48 -11.479  10.371   7.832
  368   1HB   CYS  48          2HB       CYS  48 -13.189  12.350   7.820
  369   2HB   CYS  48          3HB       CYS  48 -12.471  11.845   9.349
  370    HG   CYS  48           HG       CYS  48 -12.078  14.380   9.299
  371    H    GLY  49           H        GLY  49  -9.440  11.979   5.959
  372   1HA   GLY  49          1HA       GLY  49  -9.338  11.916   3.616
  373   2HA   GLY  49          2HA       GLY  49 -11.077  11.632   3.563
  374    H    THR  50           H        THR  50  -9.701  14.146   5.531
  375    HA   THR  50           HA       THR  50 -11.302  16.167   4.291
  376    HB   THR  50           HB       THR  50 -10.967  16.503   6.582
  377    HG1  THR  50           HG1      THR  50 -10.562  18.418   5.453
  378   1HG2  THR  50          1HG2      THR  50  -9.286  15.095   7.293
  379   2HG2  THR  50          2HG2      THR  50  -8.191  15.568   5.992
  380   3HG2  THR  50          3HG2      THR  50  -8.427  16.634   7.378
  381    H    CYS  51           H        CYS  51 -10.187  15.428   2.143
  382    HA   CYS  51           HA       CYS  51  -8.588  15.739   0.476
  383   1HB   CYS  51          2HB       CYS  51  -8.526  18.192  -0.144
  384   2HB   CYS  51          3HB       CYS  51 -10.136  17.493   0.018
  385    HG   CYS  51           HG       CYS  51  -8.926  19.026   2.450
  386    HA   PRO  52           HA       PRO  52  -4.974  16.677   3.197
  387   1HB   PRO  52          2HB       PRO  52  -3.744  14.246   2.272
  388   2HB   PRO  52          3HB       PRO  52  -4.329  14.632   3.896
  389   1HG   PRO  52          2HG       PRO  52  -5.438  12.770   2.171
  390   2HG   PRO  52          3HG       PRO  52  -6.221  13.461   3.599
  391   1HD   PRO  52          2HD       PRO  52  -6.653  14.097   0.724
  392   2HD   PRO  52          3HD       PRO  52  -7.774  14.236   2.097
  393    H    SER  53           H        SER  53  -3.280  17.830   2.486
  394    HA   SER  53           HA       SER  53  -2.700  17.865  -0.388
  395   1HB   SER  53          2HB       SER  53  -3.127  19.985   0.908
  396   2HB   SER  53          3HB       SER  53  -1.626  19.688   1.778
  397    HG   SER  53           HG       SER  53  -1.126  19.390  -0.797
  398    H    SER  54           H        SER  54  -1.321  16.871   2.650
  399    HA   SER  54           HA       SER  54   1.379  16.609   1.617
  400   1HB   SER  54          2HB       SER  54   1.707  15.442   3.883
  401   2HB   SER  54          3HB       SER  54   1.299  17.154   3.906
  402    HG   SER  54           HG       SER  54  -0.913  16.481   4.165
  403    H    THR  55           H        THR  55  -1.261  14.400   2.561
  404    HA   THR  55           HA       THR  55   0.007  11.959   2.235
  405    HB   THR  55           HB       THR  55  -2.818  12.469   1.294
  406    HG1  THR  55           HG1      THR  55  -3.228  12.002   3.607
  407   1HG2  THR  55          1HG2      THR  55  -1.565  10.174   1.150
  408   2HG2  THR  55          2HG2      THR  55  -1.808  10.132   2.896
  409   3HG2  THR  55          3HG2      THR  55  -3.197  10.218   1.814
  410    H    ILE  56           H        ILE  56  -1.166  14.189  -0.193
  411    HA   ILE  56           HA       ILE  56  -1.143  12.539  -2.457
  412    HB   ILE  56           HB       ILE  56  -0.663  15.493  -2.063
  413   1HG1  ILE  56          2HG1      ILE  56  -2.898  13.980  -3.451
  414   2HG1  ILE  56          3HG1      ILE  56  -2.953  14.444  -1.751
  415   1HG2  ILE  56          1HG2      ILE  56  -0.996  15.556  -4.624
  416   2HG2  ILE  56          2HG2      ILE  56   0.590  15.064  -4.033
  417   3HG2  ILE  56          3HG2      ILE  56  -0.555  13.848  -4.597
  418   1HD1  ILE  56          1HD1      ILE  56  -2.551  16.833  -2.487
  419   2HD1  ILE  56          2HD1      ILE  56  -2.777  16.286  -4.149
  420   3HD1  ILE  56          3HD1      ILE  56  -4.101  16.160  -2.991
  421    H    THR  57           H        THR  57   1.463  14.396  -0.916
  422    HA   THR  57           HA       THR  57   3.467  13.818  -2.838
  423    HB   THR  57           HB       THR  57   3.862  14.377   0.112
  424    HG1  THR  57           HG1      THR  57   2.625  16.003  -0.736
  425   1HG2  THR  57          1HG2      THR  57   6.052  15.014  -0.460
  426   2HG2  THR  57          2HG2      THR  57   5.789  13.572  -1.438
  427   3HG2  THR  57          3HG2      THR  57   5.658  15.170  -2.172
  428    H    LEU  58           H        LEU  58   2.798  12.355   0.360
  429    HA   LEU  58           HA       LEU  58   4.747  10.349   0.239
  430   1HB   LEU  58          2HB       LEU  58   3.365  10.976   2.261
  431   2HB   LEU  58          3HB       LEU  58   2.038  10.052   1.554
  432    HG   LEU  58           HG       LEU  58   3.892   8.170   1.331
  433   1HD1  LEU  58          1HD1      LEU  58   4.885   9.823   3.673
  434   2HD1  LEU  58          2HD1      LEU  58   5.494   8.239   3.194
  435   3HD1  LEU  58          3HD1      LEU  58   5.724   9.630   2.133
  436   1HD2  LEU  58          1HD2      LEU  58   2.691   8.838   4.035
  437   2HD2  LEU  58          2HD2      LEU  58   1.784   8.113   2.708
  438   3HD2  LEU  58          3HD2      LEU  58   3.133   7.239   3.436
  439    H    LYS  59           H        LYS  59   1.340  10.277  -0.789
  440    HA   LYS  59           HA       LYS  59   1.093   7.649  -1.594
  441   1HB   LYS  59          2HB       LYS  59  -0.663   9.512  -1.656
  442   2HB   LYS  59          3HB       LYS  59   0.016   9.959  -3.219
  443   1HG   LYS  59          2HG       LYS  59  -0.284   7.365  -3.716
  444   2HG   LYS  59          3HG       LYS  59  -1.496   7.492  -2.443
  445   1HD   LYS  59          2HD       LYS  59  -2.251   9.629  -3.824
  446   2HD   LYS  59          3HD       LYS  59  -1.449   8.784  -5.147
  447   1HE   LYS  59          2HE       LYS  59  -2.851   6.816  -4.794
  448   2HE   LYS  59          3HE       LYS  59  -3.596   7.564  -3.383
  449   1HZ   LYS  59          1HZ       LYS  59  -4.141   7.974  -6.176
  450   1HZ   LYS  59          1HZ       LYS  59  -3.942   9.426  -5.316
  451   3HZ   LYS  59          3HZ       LYS  59  -5.111   8.298  -4.824
  452    H    ALA  60           H        ALA  60   2.235  10.387  -3.562
  453    HA   ALA  60           HA       ALA  60   2.908   8.897  -5.858
  454   1HB   ALA  60          1HB       ALA  60   3.812  10.869  -6.678
  455   2HB   ALA  60          2HB       ALA  60   2.716  11.493  -5.444
  456   3HB   ALA  60          3HB       ALA  60   4.441  11.358  -5.104
  457    H    GLY  61           H        GLY  61   4.490   9.300  -2.816
  458   1HA   GLY  61          1HA       GLY  61   7.148   8.655  -3.662
  459   2HA   GLY  61          2HA       GLY  61   6.548   8.644  -2.007
  460    H    ILE  62           H        ILE  62   4.765   6.773  -1.753
  461    HA   ILE  62           HA       ILE  62   6.192   4.340  -1.951
  462    HB   ILE  62           HB       ILE  62   3.736   3.409  -1.504
  463   1HG1  ILE  62          2HG1      ILE  62   3.506   6.266  -0.528
  464   2HG1  ILE  62          3HG1      ILE  62   2.787   5.729  -2.045
  465   1HG2  ILE  62          1HG2      ILE  62   5.344   5.063   0.465
  466   2HG2  ILE  62          2HG2      ILE  62   4.138   3.851   0.897
  467   3HG2  ILE  62          3HG2      ILE  62   5.620   3.365   0.075
  468   1HD1  ILE  62          1HD1      ILE  62   1.141   5.615  -0.222
  469   2HD1  ILE  62          2HD1      ILE  62   1.511   3.999  -0.825
  470   3HD1  ILE  62          3HD1      ILE  62   2.217   4.558   0.693
  471    H    GLU  63           H        GLU  63   3.388   5.573  -3.784
  472    HA   GLU  63           HA       GLU  63   2.872   3.462  -5.458
  473   1HB   GLU  63          2HB       GLU  63   1.741   5.753  -5.396
  474   2HB   GLU  63          3HB       GLU  63   3.020   6.301  -6.477
  475   1HG   GLU  63          2HG       GLU  63   2.410   4.509  -8.083
  476   2HG   GLU  63          3HG       GLU  63   1.106   4.006  -7.008
  477    H    ARG  64           H        ARG  64   5.126   6.123  -6.265
  478    HA   ARG  64           HA       ARG  64   6.223   5.015  -8.566
  479   1HB   ARG  64          2HB       ARG  64   6.602   7.345  -7.696
  480   2HB   ARG  64          3HB       ARG  64   7.741   6.664  -6.534
  481   1HG   ARG  64          2HG       ARG  64   9.048   5.699  -8.427
  482   2HG   ARG  64          3HG       ARG  64   7.942   6.481  -9.558
  483   1HD   ARG  64          2HD       ARG  64   9.640   7.912  -7.491
  484   2HD   ARG  64          3HD       ARG  64   9.987   7.830  -9.216
  485    HE   ARG  64           HE       ARG  64   7.815   9.357  -7.953
  486   1HH1  ARG  64          1HH2      ARG  64  10.018  10.483  -9.769
  487   2HH1  ARG  64          2HH2      ARG  64   9.140  10.749 -11.239
  488   1HH2  ARG  64          1HH1      ARG  64   6.449   8.777 -10.301
  489   2HH2  ARG  64          2HH1      ARG  64   7.123   9.781 -11.540
  490    H    ALA  65           H        ALA  65   7.298   4.639  -5.190
  491    HA   ALA  65           HA       ALA  65   9.573   3.075  -5.659
  492   1HB   ALA  65          1HB       ALA  65   9.586   2.654  -3.378
  493   2HB   ALA  65          2HB       ALA  65   8.601   4.115  -3.446
  494   3HB   ALA  65          3HB       ALA  65   7.828   2.538  -3.281
  495    H    LEU  66           H        LEU  66   6.311   1.953  -4.738
  496    HA   LEU  66           HA       LEU  66   6.766  -0.791  -5.032
  497   1HB   LEU  66          2HB       LEU  66   4.364   0.982  -5.035
  498   2HB   LEU  66          3HB       LEU  66   4.159  -0.657  -5.648
  499    HG   LEU  66           HG       LEU  66   5.128  -1.558  -3.553
  500   1HD1  LEU  66          1HD1      LEU  66   6.563   0.376  -2.993
  501   2HD1  LEU  66          2HD1      LEU  66   5.128   1.347  -2.671
  502   3HD1  LEU  66          3HD1      LEU  66   5.506  -0.036  -1.645
  503   1HD2  LEU  66          1HD2      LEU  66   3.185  -1.250  -2.236
  504   2HD2  LEU  66          2HD2      LEU  66   2.957   0.405  -2.804
  505   3HD2  LEU  66          3HD2      LEU  66   2.626  -0.952  -3.881
  506    H    HIS  67           H        HIS  67   5.457   1.551  -7.367
  507    HA   HIS  67           HA       HIS  67   4.993  -0.113  -9.529
  508   1HB   HIS  67          2HB       HIS  67   5.866   2.762  -9.331
  509   2HB   HIS  67          3HB       HIS  67   5.646   1.989 -10.899
  510    HD1  HIS  67           HD1      HIS  67   3.458   2.961 -11.673
  511    HD2  HIS  67           HD2      HIS  67   3.233   1.520  -7.767
  512    HE1  HIS  67           HE1      HIS  67   1.020   3.091 -10.999
  513    H    GLU  68           H        GLU  68   8.019   1.368  -8.464
  514    HA   GLU  68           HA       GLU  68   9.630   0.628 -10.648
  515   1HB   GLU  68          2HB       GLU  68  10.159   2.217  -8.674
  516   2HB   GLU  68          3HB       GLU  68  10.653   0.756  -7.820
  517   1HG   GLU  68          2HG       GLU  68  12.045   0.274  -9.989
  518   2HG   GLU  68          3HG       GLU  68  11.847   1.997 -10.288
  519    H    GLU  69           H        GLU  69   9.287  -0.977  -7.455
  520    HA   GLU  69           HA       GLU  69  10.648  -3.335  -8.455
  521   1HB   GLU  69          2HB       GLU  69   9.408  -2.717  -5.760
  522   2HB   GLU  69          3HB       GLU  69  10.348  -4.159  -6.135
  523   1HG   GLU  69          2HG       GLU  69  12.317  -2.827  -6.610
  524   2HG   GLU  69          3HG       GLU  69  11.397  -1.333  -6.445
  525    H    VAL  70           H        VAL  70   8.472  -4.371  -6.257
  526    HA   VAL  70           HA       VAL  70   6.867  -6.042  -6.495
  527    HB   VAL  70           HB       VAL  70   5.474  -3.828  -8.017
  528   1HG1  VAL  70          1HG1      VAL  70   4.353  -5.778  -5.991
  529   2HG1  VAL  70          2HG1      VAL  70   3.466  -4.775  -7.138
  530   3HG1  VAL  70          3HG1      VAL  70   4.405  -6.151  -7.712
  531   1HG2  VAL  70          1HG2      VAL  70   6.642  -3.022  -5.922
  532   2HG2  VAL  70          2HG2      VAL  70   4.888  -2.856  -5.882
  533   3HG2  VAL  70          3HG2      VAL  70   5.669  -4.174  -5.011
  534    HA   PRO  71           HA       PRO  71   8.377  -6.786 -11.005
  535   1HB   PRO  71          2HB       PRO  71   8.899  -9.471 -10.087
  536   2HB   PRO  71          3HB       PRO  71  10.062  -8.254 -10.637
  537   1HG   PRO  71          2HG       PRO  71   9.318  -9.027  -7.913
  538   2HG   PRO  71          3HG       PRO  71  10.772  -8.205  -8.500
  539   1HD   PRO  71          2HD       PRO  71   8.857  -6.925  -7.046
  540   2HD   PRO  71          3HD       PRO  71   9.833  -6.097  -8.281
  541    H    GLY  72           H        GLY  72   6.336  -6.737 -11.884
  542   1HA   GLY  72          1HA       GLY  72   4.911  -8.539 -12.982
  543   2HA   GLY  72          2HA       GLY  72   4.537  -9.017 -11.328
  544    H    VAL  73           H        VAL  73   4.839  -5.856 -10.941
  545    HA   VAL  73           HA       VAL  73   2.053  -5.349 -10.768
  546    HB   VAL  73           HB       VAL  73   3.656  -4.176  -9.337
  547   1HG1  VAL  73          1HG1      VAL  73   5.244  -2.607 -10.163
  548   2HG1  VAL  73          2HG1      VAL  73   5.413  -4.021 -11.201
  549   3HG1  VAL  73          3HG1      VAL  73   4.524  -2.610 -11.773
  550   1HG2  VAL  73          1HG2      VAL  73   2.494  -2.036 -11.103
  551   2HG2  VAL  73          2HG2      VAL  73   1.418  -3.132 -10.236
  552   3HG2  VAL  73          3HG2      VAL  73   2.546  -2.115  -9.341
  553    H    ILE  74           H        ILE  74   0.667  -4.252 -12.034
  554    HA   ILE  74           HA       ILE  74   1.636  -3.416 -14.700
  555    HB   ILE  74           HB       ILE  74  -1.134  -4.424 -14.543
  556   1HG1  ILE  74          2HG1      ILE  74   1.265  -6.209 -14.057
  557   2HG1  ILE  74          3HG1      ILE  74  -0.230  -6.127 -13.129
  558   1HG2  ILE  74          1HG2      ILE  74   0.219  -3.676 -16.581
  559   2HG2  ILE  74          2HG2      ILE  74   1.125  -5.179 -16.400
  560   3HG2  ILE  74          3HG2      ILE  74  -0.609  -5.227 -16.720
  561   1HD1  ILE  74          1HD1      ILE  74   0.264  -7.386 -15.812
  562   2HD1  ILE  74          2HD1      ILE  74  -0.574  -8.049 -14.409
  563   3HD1  ILE  74          3HD1      ILE  74  -1.355  -6.819 -15.402
  564    H    GLU  75           H        GLU  75  -1.083  -3.217 -12.415
  565    HA   GLU  75           HA       GLU  75  -1.153  -0.349 -12.558
  566   1HB   GLU  75          2HB       GLU  75  -2.367  -1.342 -14.685
  567   2HB   GLU  75          3HB       GLU  75  -3.680  -1.628 -13.543
  568   1HG   GLU  75          2HG       GLU  75  -3.247   0.859 -12.837
  569   2HG   GLU  75          3HG       GLU  75  -2.459   0.978 -14.409
  570    H    VAL  76           H        VAL  76  -1.356  -0.023 -10.423
  571    HA   VAL  76           HA       VAL  76  -2.987  -1.792  -8.782
  572    HB   VAL  76           HB       VAL  76  -2.166  -0.400  -6.902
  573   1HG1  VAL  76          1HG1      VAL  76  -0.827  -2.313  -7.707
  574   2HG1  VAL  76          2HG1      VAL  76  -0.003  -1.255  -8.850
  575   3HG1  VAL  76          3HG1      VAL  76   0.209  -1.015  -7.116
  576   1HG2  VAL  76          1HG2      VAL  76  -1.065   1.229  -9.193
  577   2HG2  VAL  76          2HG2      VAL  76  -1.930   1.780  -7.759
  578   3HG2  VAL  76          3HG2      VAL  76  -0.259   1.235  -7.625
  579    H    GLU  77           H        GLU  77  -4.257  -0.481  -6.978
  580    HA   GLU  77           HA       GLU  77  -5.720   1.795  -8.088
  581   1HB   GLU  77          2HB       GLU  77  -6.913  -0.925  -7.635
  582   2HB   GLU  77          3HB       GLU  77  -7.898   0.514  -7.369
  583   1HG   GLU  77          2HG       GLU  77  -7.349   1.292  -9.664
  584   2HG   GLU  77          3HG       GLU  77  -6.421  -0.181  -9.927
  585    H    GLN  78           H        GLN  78  -4.738   2.917  -6.354
  586    HA   GLN  78           HA       GLN  78  -5.567   2.122  -3.640
  587   1HB   GLN  78          2HB       GLN  78  -3.136   2.596  -4.107
  588   2HB   GLN  78          3HB       GLN  78  -3.586   4.270  -4.433
  589   1HG   GLN  78          2HG       GLN  78  -4.803   4.000  -2.060
  590   2HG   GLN  78          3HG       GLN  78  -3.551   2.784  -1.842
  591   1HE2  GLN  78          2HE2      GLN  78  -4.142   5.969  -1.214
  592   2HE2  GLN  78          1HE2      GLN  78  -2.557   6.574  -1.266
  593    H    VAL  79           H        VAL  79  -7.716   2.815  -3.703
  594    HA   VAL  79           HA       VAL  79  -8.281   5.608  -4.342
  595    HB   VAL  79           HB       VAL  79 -10.590   5.028  -4.197
  596   1HG1  VAL  79          1HG1      VAL  79 -10.756   3.152  -5.742
  597   2HG1  VAL  79          2HG1      VAL  79  -9.346   4.121  -6.166
  598   3HG1  VAL  79          3HG1      VAL  79  -9.142   2.599  -5.297
  599   1HG2  VAL  79          1HG2      VAL  79 -11.239   2.692  -3.392
  600   2HG2  VAL  79          2HG2      VAL  79  -9.604   2.558  -2.745
  601   3HG2  VAL  79          3HG2      VAL  79 -10.694   3.805  -2.138
  602    H    PHE  80           H        PHE  80  -9.949   6.633  -2.740
  603    HA   PHE  80           HA       PHE  80  -8.769   6.467  -0.033
  604   1HB   PHE  80          2HB       PHE  80 -10.218   8.782  -1.342
  605   2HB   PHE  80          3HB       PHE  80  -9.465   8.793   0.252
  606    HD1  PHE  80           HD1      PHE  80  -8.966   9.495  -3.188
  607    HD2  PHE  80           HD2      PHE  80  -6.925   8.066   0.313
  608    HE1  PHE  80           HE1      PHE  80  -6.786  10.078  -4.219
  609    HE2  PHE  80           HE2      PHE  80  -4.747   8.651  -0.718
  610    HZ   PHE  80           HZ       PHE  80  -4.679   9.658  -2.985
  611    H    LEU  81           H        LEU  81 -10.012   5.238   1.223
  612    HA   LEU  81           HA       LEU  81 -12.906   5.221   0.842
  613   1HB   LEU  81          2HB       LEU  81 -11.526   3.120   1.269
  614   2HB   LEU  81          3HB       LEU  81 -11.351   3.689   2.930
  615    HG   LEU  81           HG       LEU  81 -14.007   3.989   2.692
  616   1HD1  LEU  81          1HD1      LEU  81 -14.073   3.218   0.356
  617   2HD1  LEU  81          2HD1      LEU  81 -13.321   1.695   0.828
  618   3HD1  LEU  81          3HD1      LEU  81 -14.941   2.093   1.400
  619   1HD2  LEU  81          1HD2      LEU  81 -12.478   1.445   3.296
  620   2HD2  LEU  81          2HD2      LEU  81 -13.022   2.672   4.442
  621   3HD2  LEU  81          3HD2      LEU  81 -14.199   1.640   3.630
  622    H    GLU  82           H        GLU  82 -13.546   7.233   1.535
  623    HA   GLU  82           HA       GLU  82 -12.773   8.369   4.048
  624   1HB   GLU  82          2HB       GLU  82 -14.661   9.950   3.595
  625   2HB   GLU  82          3HB       GLU  82 -13.514   9.821   2.261
  626   1HG   GLU  82          2HG       GLU  82 -14.980   8.357   1.034
  627   2HG   GLU  82          3HG       GLU  82 -16.059   8.184   2.415
  628    H    HIS  83           H        HIS  83 -14.552   5.699   3.411
  629    HA   HIS  83           HA       HIS  83 -16.586   6.114   5.475
  630   1HB   HIS  83          2HB       HIS  83 -16.943   4.878   3.209
  631   2HB   HIS  83          3HB       HIS  83 -16.127   3.528   3.997
  632    HD1  HIS  83           HD1      HIS  83 -17.352   2.375   5.971
  633    HD2  HIS  83           HD2      HIS  83 -19.509   5.513   4.274
  634    HE1  HIS  83           HE1      HIS  83 -19.692   2.235   6.930
  635    H    HIS  84           H        HIS  84 -15.432   6.188   7.380
  636    HA   HIS  84           HA       HIS  84 -13.314   4.505   8.130
  637   1HB   HIS  84          2HB       HIS  84 -13.842   6.574   9.331
  638   2HB   HIS  84          3HB       HIS  84 -15.373   5.889   9.871
  639    HD1  HIS  84           HD1      HIS  84 -15.293   4.815  12.112
  640    HD2  HIS  84           HD2      HIS  84 -11.540   4.817  10.295
  641    HE1  HIS  84           HE1      HIS  84 -13.684   3.814  13.791
  642    H    HIS  85           H        HIS  85 -15.855   4.204  10.408
  643    HA   HIS  85           HA       HIS  85 -16.951   2.390  11.282
  644   1HB   HIS  85          2HB       HIS  85 -17.952   2.605   8.905
  645   2HB   HIS  85          3HB       HIS  85 -16.962   1.199   8.515
  646    HD1  HIS  85           HD1      HIS  85 -17.892  -1.034   9.150
  647    HD2  HIS  85           HD2      HIS  85 -19.802   2.069  11.175
  648    HE1  HIS  85           HE1      HIS  85 -19.809  -2.086  10.426
  649    H    HIS  86           H        HIS  86 -16.814   0.005  11.645
  650    HA   HIS  86           HA       HIS  86 -14.136  -1.091  11.033
  651   1HB   HIS  86          2HB       HIS  86 -14.239  -2.109  13.386
  652   2HB   HIS  86          3HB       HIS  86 -13.887  -0.384  13.283
  653    HD1  HIS  86           HD1      HIS  86 -17.043  -2.534  13.511
  654    HD2  HIS  86           HD2      HIS  86 -15.502   1.044  14.990
  655    HE1  HIS  86           HE1      HIS  86 -18.815  -1.571  15.043
  656    H    HIS  87           H        HIS  87 -14.016  -3.395  11.030
  657    HA   HIS  87           HA       HIS  87 -16.507  -4.644  10.179
  658   1HB   HIS  87          2HB       HIS  87 -14.314  -4.919   8.946
  659   2HB   HIS  87          3HB       HIS  87 -13.749  -5.882  10.311
  660    HD1  HIS  87           HD1      HIS  87 -16.210  -7.556  10.947
  661    HD2  HIS  87           HD2      HIS  87 -14.920  -6.841   7.048
  662    HE1  HIS  87           HE1      HIS  87 -17.166  -9.419   9.525
  663    H    HIS  88           H        HIS  88 -13.964  -5.216  12.601
  664    HA   HIS  88           HA       HIS  88 -15.639  -7.202  13.947
  665   1HB   HIS  88          2HB       HIS  88 -13.206  -7.622  13.573
  666   2HB   HIS  88          3HB       HIS  88 -12.838  -6.254  14.621
  667    HD1  HIS  88           HD1      HIS  88 -11.668  -7.950  16.282
  668    HD2  HIS  88           HD2      HIS  88 -15.769  -8.532  15.815
  669    HE1  HIS  88           HE1      HIS  88 -12.397  -9.459  18.179
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1  14.634 -18.086   0.088
    2   2H    MET   1          2HT       MET   1  15.266 -17.783  -1.459
    3   3H    MET   1          3HT       MET   1  16.068 -18.847  -0.406
    4    HA   MET   1           HA       MET   1  14.229 -19.513  -2.333
    5   1HB   MET   1          2HB       MET   1  16.143 -20.820  -1.198
    6   2HB   MET   1          3HB       MET   1  14.962 -21.230   0.045
    7   1HG   MET   1          2HG       MET   1  13.501 -21.844  -2.132
    8   2HG   MET   1          3HG       MET   1  15.113 -22.121  -2.793
    9   1HE   MET   1          1HE       MET   1  15.746 -24.313  -3.014
   10   2HE   MET   1          2HE       MET   1  16.122 -25.388  -1.669
   11   3HE   MET   1          3HE       MET   1  16.883 -23.801  -1.760
   12    HA   PRO   2           HA       PRO   2  10.769 -18.739   0.686
   13   1HB   PRO   2          2HB       PRO   2   9.359 -17.325  -1.393
   14   2HB   PRO   2          3HB       PRO   2  10.021 -16.681   0.117
   15   1HG   PRO   2          2HG       PRO   2  10.953 -16.116  -2.425
   16   2HG   PRO   2          3HG       PRO   2  11.832 -15.849  -0.914
   17   1HD   PRO   2          2HD       PRO   2  12.176 -18.012  -2.933
   18   2HD   PRO   2          3HD       PRO   2  13.365 -17.295  -1.823
   19    H    THR   3           H        THR   3   9.128 -20.181   0.848
   20    HA   THR   3           HA       THR   3   8.673 -22.056  -1.290
   21    HB   THR   3           HB       THR   3   7.200 -21.818   1.342
   22    HG1  THR   3           HG1      THR   3   9.249 -22.111   1.931
   23   1HG2  THR   3          1HG2      THR   3   7.377 -23.848  -0.849
   24   2HG2  THR   3          2HG2      THR   3   7.226 -24.424   0.811
   25   3HG2  THR   3          3HG2      THR   3   5.988 -23.370   0.127
   26    H    GLU   4           H        GLU   4   6.455 -22.664  -1.959
   27    HA   GLU   4           HA       GLU   4   4.956 -20.267  -2.740
   28   1HB   GLU   4          2HB       GLU   4   4.625 -23.150  -3.617
   29   2HB   GLU   4          3HB       GLU   4   3.863 -21.738  -4.349
   30   1HG   GLU   4          2HG       GLU   4   5.990 -20.863  -5.066
   31   2HG   GLU   4          3HG       GLU   4   6.864 -22.083  -4.143
   32    H    ASN   5           H        ASN   5   4.812 -21.239   0.018
   33    HA   ASN   5           HA       ASN   5   2.038 -22.223   0.146
   34   1HB   ASN   5          2HB       ASN   5   4.341 -22.824   1.677
   35   2HB   ASN   5          3HB       ASN   5   3.256 -21.926   2.740
   36   1HD2  ASN   5          2HD2      ASN   5   3.923 -25.037   1.671
   37   2HD2  ASN   5          1HD2      ASN   5   2.408 -25.744   1.953
   38    HA   PRO   6           HA       PRO   6   1.862 -18.137   2.570
   39   1HB   PRO   6          2HB       PRO   6   4.387 -16.739   2.482
   40   2HB   PRO   6          3HB       PRO   6   3.593 -17.459   3.891
   41   1HG   PRO   6          2HG       PRO   6   5.944 -18.356   2.793
   42   2HG   PRO   6          3HG       PRO   6   4.858 -19.330   3.798
   43   1HD   PRO   6          2HD       PRO   6   5.135 -19.301   0.807
   44   2HD   PRO   6          3HD       PRO   6   4.845 -20.676   1.902
   45    H    THR   7           H        THR   7   0.626 -17.446   0.791
   46    HA   THR   7           HA       THR   7   1.789 -16.449  -1.616
   47    HB   THR   7           HB       THR   7  -0.531 -15.709  -2.139
   48    HG1  THR   7           HG1      THR   7  -2.093 -15.922  -0.630
   49   1HG2  THR   7          1HG2      THR   7  -1.547 -17.992  -2.020
   50   2HG2  THR   7          2HG2      THR   7   0.106 -18.004  -2.637
   51   3HG2  THR   7          3HG2      THR   7  -0.217 -18.492  -0.973
   52    H    MET   8           H        MET   8   0.944 -14.183  -2.400
   53    HA   MET   8           HA       MET   8   2.415 -12.196  -1.159
   54   1HB   MET   8          2HB       MET   8  -0.026 -11.982  -2.932
   55   2HB   MET   8          3HB       MET   8   0.954 -10.595  -2.454
   56   1HG   MET   8          2HG       MET   8   2.703 -11.195  -3.805
   57   2HG   MET   8          3HG       MET   8   2.447 -12.920  -3.543
   58   1HE   MET   8          1HE       MET   8  -0.083 -10.237  -6.308
   59   2HE   MET   8          2HE       MET   8   1.387  -9.715  -5.491
   60   3HE   MET   8          3HE       MET   8  -0.039 -10.123  -4.543
   61    H    PHE   9           H        PHE   9  -1.120 -12.666  -0.946
   62    HA   PHE   9           HA       PHE   9  -1.961 -10.663   0.633
   63   1HB   PHE   9          2HB       PHE   9  -3.276 -12.713  -0.109
   64   2HB   PHE   9          3HB       PHE   9  -2.643 -13.527   1.322
   65    HD1  PHE   9           HD1      PHE   9  -3.142 -12.583   3.612
   66    HD2  PHE   9           HD2      PHE   9  -5.042 -11.115   0.047
   67    HE1  PHE   9           HE1      PHE   9  -4.910 -11.522   4.991
   68    HE2  PHE   9           HE2      PHE   9  -6.809 -10.053   1.428
   69    HZ   PHE   9           HZ       PHE   9  -6.744 -10.258   3.900
   70    H    ASP  10           H        ASP  10  -0.295 -13.554   1.866
   71    HA   ASP  10           HA       ASP  10  -0.280 -12.879   4.587
   72   1HB   ASP  10          2HB       ASP  10   1.844 -14.393   3.051
   73   2HB   ASP  10          3HB       ASP  10   1.577 -14.453   4.792
   74    H    GLN  11           H        GLN  11   2.208 -12.330   2.108
   75    HA   GLN  11           HA       GLN  11   4.036 -10.917   3.703
   76   1HB   GLN  11          2HB       GLN  11   3.817 -11.707   1.008
   77   2HB   GLN  11          3HB       GLN  11   4.048  -9.963   0.983
   78   1HG   GLN  11          2HG       GLN  11   6.035 -10.156   2.386
   79   2HG   GLN  11          3HG       GLN  11   5.792 -11.899   2.531
   80   1HE2  GLN  11          2HE2      GLN  11   5.212 -10.166  -0.511
   81   2HE2  GLN  11          1HE2      GLN  11   6.524 -10.847  -1.347
   82    H    VAL  12           H        VAL  12   2.040  -9.453   1.149
   83    HA   VAL  12           HA       VAL  12   2.426  -6.825   1.794
   84    HB   VAL  12           HB       VAL  12   0.579  -6.328   0.455
   85   1HG1  VAL  12          1HG1      VAL  12   1.018  -9.207  -0.290
   86   2HG1  VAL  12          2HG1      VAL  12   0.717  -7.838  -1.354
   87   3HG1  VAL  12          3HG1      VAL  12   2.268  -7.988  -0.526
   88   1HG2  VAL  12          1HG2      VAL  12  -1.193  -7.304   1.820
   89   2HG2  VAL  12          2HG2      VAL  12  -1.347  -7.909   0.173
   90   3HG2  VAL  12          3HG2      VAL  12  -0.642  -8.933   1.421
   91    H    ALA  13           H        ALA  13  -0.192  -8.902   3.032
   92    HA   ALA  13           HA       ALA  13  -1.376  -7.088   4.730
   93   1HB   ALA  13          1HB       ALA  13  -0.952 -10.049   5.208
   94   2HB   ALA  13          2HB       ALA  13  -2.122  -9.037   6.054
   95   3HB   ALA  13          3HB       ALA  13  -2.296  -9.330   4.323
   96    H    GLU  14           H        GLU  14   1.317  -9.306   5.362
   97    HA   GLU  14           HA       GLU  14   1.817  -8.512   8.037
   98   1HB   GLU  14          2HB       GLU  14   2.685 -10.603   7.058
   99   2HB   GLU  14          3HB       GLU  14   3.744  -9.669   6.004
  100   1HG   GLU  14          2HG       GLU  14   3.829  -9.277   8.991
  101   2HG   GLU  14          3HG       GLU  14   4.715 -10.601   8.240
  102    H    VAL  15           H        VAL  15   3.487  -7.631   5.019
  103    HA   VAL  15           HA       VAL  15   5.318  -5.829   6.099
  104    HB   VAL  15           HB       VAL  15   4.021  -5.778   3.361
  105   1HG1  VAL  15          1HG1      VAL  15   5.092  -3.697   3.600
  106   2HG1  VAL  15          2HG1      VAL  15   6.398  -4.380   4.570
  107   3HG1  VAL  15          3HG1      VAL  15   6.323  -4.706   2.839
  108   1HG2  VAL  15          1HG2      VAL  15   5.084  -7.824   3.332
  109   2HG2  VAL  15          2HG2      VAL  15   6.475  -6.810   2.966
  110   3HG2  VAL  15          3HG2      VAL  15   6.210  -7.376   4.613
  111    H    ILE  16           H        ILE  16   2.168  -5.065   4.576
  112    HA   ILE  16           HA       ILE  16   2.170  -2.317   4.956
  113    HB   ILE  16           HB       ILE  16  -0.182  -4.216   5.139
  114   1HG1  ILE  16          2HG1      ILE  16   0.559  -2.537   2.754
  115   2HG1  ILE  16          3HG1      ILE  16   1.373  -4.081   3.017
  116   1HG2  ILE  16          1HG2      ILE  16  -0.019  -1.215   4.732
  117   2HG2  ILE  16          2HG2      ILE  16  -1.470  -2.168   4.425
  118   3HG2  ILE  16          3HG2      ILE  16  -0.812  -2.068   6.058
  119   1HD1  ILE  16          1HD1      ILE  16  -0.801  -4.061   1.583
  120   2HD1  ILE  16          2HD1      ILE  16  -0.620  -5.312   2.809
  121   3HD1  ILE  16          3HD1      ILE  16  -1.631  -3.904   3.132
  122    H    GLU  17           H        GLU  17   0.724  -4.750   7.131
  123    HA   GLU  17           HA       GLU  17  -0.088  -3.108   9.200
  124   1HB   GLU  17          2HB       GLU  17   0.913  -5.945   9.123
  125   2HB   GLU  17          3HB       GLU  17   0.482  -5.190  10.657
  126   1HG   GLU  17          2HG       GLU  17  -1.764  -5.040  10.115
  127   2HG   GLU  17          3HG       GLU  17  -1.452  -4.959   8.383
  128    H    ARG  18           H        ARG  18   3.138  -4.267   8.440
  129    HA   ARG  18           HA       ARG  18   4.385  -3.569  10.886
  130   1HB   ARG  18          2HB       ARG  18   5.291  -5.084   9.050
  131   2HB   ARG  18          3HB       ARG  18   5.735  -3.612   8.187
  132   1HG   ARG  18          2HG       ARG  18   7.054  -2.875  10.158
  133   2HG   ARG  18          3HG       ARG  18   6.646  -4.383  10.974
  134   1HD   ARG  18          2HD       ARG  18   7.872  -5.687   9.406
  135   2HD   ARG  18          3HD       ARG  18   7.986  -4.348   8.269
  136    HE   ARG  18           HE       ARG  18   9.943  -3.802   9.356
  137   1HH1  ARG  18          1HH1      ARG  18   7.941  -5.603  11.535
  138   2HH1  ARG  18          2HH1      ARG  18   8.922  -5.271  12.921
  139   1HH2  ARG  18          1HH2      ARG  18  11.125  -3.220  11.213
  140   2HH2  ARG  18          2HH2      ARG  18  10.719  -3.928  12.740
  141    H    LEU  19           H        LEU  19   4.424  -1.865   7.736
  142    HA   LEU  19           HA       LEU  19   5.640   0.492   8.846
  143   1HB   LEU  19          2HB       LEU  19   4.421  -0.195   6.176
  144   2HB   LEU  19          3HB       LEU  19   4.963   1.441   6.546
  145    HG   LEU  19           HG       LEU  19   6.837  -0.823   7.115
  146   1HD1  LEU  19          1HD1      LEU  19   7.678  -0.482   4.703
  147   2HD1  LEU  19          2HD1      LEU  19   6.222  -1.455   4.908
  148   3HD1  LEU  19          3HD1      LEU  19   6.092   0.222   4.377
  149   1HD2  LEU  19          1HD2      LEU  19   7.321   1.912   5.902
  150   2HD2  LEU  19          2HD2      LEU  19   7.246   1.644   7.644
  151   3HD2  LEU  19          3HD2      LEU  19   8.497   0.854   6.682
  152    H    ARG  20           H        ARG  20   2.386  -0.612   8.395
  153    HA   ARG  20           HA       ARG  20   0.779   1.507   8.102
  154   1HB   ARG  20          2HB       ARG  20  -0.311  -0.508   8.521
  155   2HB   ARG  20          3HB       ARG  20   0.576  -0.798  10.014
  156   1HG   ARG  20          2HG       ARG  20  -0.730   0.700  11.240
  157   2HG   ARG  20          3HG       ARG  20  -1.213   1.607   9.804
  158   1HD   ARG  20          2HD       ARG  20  -3.111   0.299  10.575
  159   2HD   ARG  20          3HD       ARG  20  -2.539  -0.375   9.053
  160    HE   ARG  20           HE       ARG  20  -1.288  -2.026  10.569
  161   1HH1  ARG  20          1HH1      ARG  20  -2.979  -0.441  12.809
  162   2HH1  ARG  20          2HH1      ARG  20  -4.081  -1.705  13.242
  163   1HH2  ARG  20          1HH2      ARG  20  -3.280  -3.697  10.520
  164   2HH2  ARG  20          2HH2      ARG  20  -4.247  -3.550  11.950
  165    HA   PRO  21           HA       PRO  21   1.090   2.809  12.878
  166   1HB   PRO  21          2HB       PRO  21   3.851   2.287  13.519
  167   2HB   PRO  21          3HB       PRO  21   2.403   1.657  14.316
  168   1HG   PRO  21          2HG       PRO  21   4.154   0.384  12.368
  169   2HG   PRO  21          3HG       PRO  21   2.990  -0.342  13.481
  170   1HD   PRO  21          2HD       PRO  21   2.604  -0.241  10.778
  171   2HD   PRO  21          3HD       PRO  21   1.269  -0.261  11.949
  172    H    PHE  22           H        PHE  22   3.833   2.853  10.635
  173    HA   PHE  22           HA       PHE  22   4.669   5.516  11.351
  174   1HB   PHE  22          2HB       PHE  22   5.393   3.676   9.062
  175   2HB   PHE  22          3HB       PHE  22   6.081   5.287   9.262
  176    HD1  PHE  22           HD1      PHE  22   5.962   1.862  10.589
  177    HD2  PHE  22           HD2      PHE  22   7.539   5.817  11.168
  178    HE1  PHE  22           HE1      PHE  22   7.599   0.972  12.226
  179    HE2  PHE  22           HE2      PHE  22   9.173   4.925  12.805
  180    HZ   PHE  22           HZ       PHE  22   9.203   2.504  13.334
  181    H    LEU  23           H        LEU  23   2.897   4.050   8.641
  182    HA   LEU  23           HA       LEU  23   2.539   6.397   7.129
  183   1HB   LEU  23          2HB       LEU  23   1.121   3.759   7.283
  184   2HB   LEU  23          3HB       LEU  23   0.398   5.071   6.356
  185    HG   LEU  23           HG       LEU  23   2.535   5.316   5.092
  186   1HD1  LEU  23          1HD1      LEU  23   3.299   2.975   6.840
  187   2HD1  LEU  23          2HD1      LEU  23   4.095   3.274   5.297
  188   3HD1  LEU  23          3HD1      LEU  23   4.184   4.478   6.584
  189   1HD2  LEU  23          1HD2      LEU  23   2.190   3.401   3.681
  190   2HD2  LEU  23          2HD2      LEU  23   1.533   2.455   5.015
  191   3HD2  LEU  23          3HD2      LEU  23   0.616   3.812   4.357
  192    H    LEU  24           H        LEU  24   0.451   4.886   9.588
  193    HA   LEU  24           HA       LEU  24  -1.698   6.653   9.469
  194   1HB   LEU  24          2HB       LEU  24  -1.089   4.473  10.972
  195   2HB   LEU  24          3HB       LEU  24  -0.933   5.753  12.175
  196    HG   LEU  24           HG       LEU  24  -3.341   5.463  10.363
  197   1HD1  LEU  24          1HD1      LEU  24  -2.698   4.266  13.045
  198   2HD1  LEU  24          2HD1      LEU  24  -4.364   4.692  12.654
  199   3HD1  LEU  24          3HD1      LEU  24  -3.497   3.523  11.659
  200   1HD2  LEU  24          1HD2      LEU  24  -3.068   7.703  11.261
  201   2HD2  LEU  24          2HD2      LEU  24  -4.366   6.911  12.154
  202   3HD2  LEU  24          3HD2      LEU  24  -2.764   7.063  12.875
  203    H    ARG  25           H        ARG  25   1.098   6.793  11.661
  204    HA   ARG  25           HA       ARG  25   0.468   9.169  12.961
  205   1HB   ARG  25          2HB       ARG  25   3.127   7.882  12.344
  206   2HB   ARG  25          3HB       ARG  25   2.968   9.306  13.369
  207   1HG   ARG  25          2HG       ARG  25   1.218   6.942  13.950
  208   2HG   ARG  25          3HG       ARG  25   2.917   6.864  14.419
  209   1HD   ARG  25          2HD       ARG  25   1.120   9.185  15.146
  210   2HD   ARG  25          3HD       ARG  25   1.342   7.782  16.187
  211    HE   ARG  25           HE       ARG  25   3.874   8.467  15.844
  212   1HH1  ARG  25          1HH1      ARG  25   2.578  11.165  14.857
  213   2HH1  ARG  25          2HH1      ARG  25   2.810  12.134  16.274
  214   1HH2  ARG  25          1HH2      ARG  25   3.545   9.434  18.325
  215   2HH2  ARG  25          2HH2      ARG  25   3.354  11.154  18.238
  216    H    ASP  26           H        ASP  26   2.245   8.729   9.901
  217    HA   ASP  26           HA       ASP  26   2.586  11.645   9.699
  218   1HB   ASP  26          2HB       ASP  26   4.504  10.063   9.288
  219   2HB   ASP  26          3HB       ASP  26   3.659   9.506   7.849
  220    H    GLY  27           H        GLY  27   1.519   8.993   7.517
  221   1HA   GLY  27          1HA       GLY  27   0.042  10.978   5.930
  222   2HA   GLY  27          2HA       GLY  27   0.431   9.340   5.432
  223    H    GLY  28           H        GLY  28  -0.742   7.563   6.548
  224   1HA   GLY  28          1HA       GLY  28  -3.057   8.025   8.123
  225   2HA   GLY  28          2HA       GLY  28  -3.514   7.889   6.427
  226    H    ASP  29           H        ASP  29  -4.700   5.965   7.063
  227    HA   ASP  29           HA       ASP  29  -2.988   3.615   7.604
  228   1HB   ASP  29          2HB       ASP  29  -4.946   4.252   9.154
  229   2HB   ASP  29          3HB       ASP  29  -5.990   3.692   7.853
  230    H    CYS  30           H        CYS  30  -2.981   1.889   6.234
  231    HA   CYS  30           HA       CYS  30  -4.447   2.210   3.685
  232   1HB   CYS  30          2HB       CYS  30  -2.130   2.173   3.210
  233   2HB   CYS  30          3HB       CYS  30  -1.824   0.890   4.380
  234    HG   CYS  30           HG       CYS  30  -2.712  -0.841   2.756
  235    H    THR  31           H        THR  31  -5.312   0.271   2.687
  236    HA   THR  31           HA       THR  31  -5.605  -2.094   4.380
  237    HB   THR  31           HB       THR  31  -8.091  -0.736   3.332
  238    HG1  THR  31           HG1      THR  31  -7.032   0.597   4.877
  239   1HG2  THR  31          1HG2      THR  31  -9.120  -2.189   5.108
  240   2HG2  THR  31          2HG2      THR  31  -8.344  -3.092   3.809
  241   3HG2  THR  31          3HG2      THR  31  -7.532  -2.910   5.365
  242    H    LEU  32           H        LEU  32  -5.232  -3.772   3.097
  243    HA   LEU  32           HA       LEU  32  -5.274  -3.592   0.244
  244   1HB   LEU  32          2HB       LEU  32  -3.860  -5.157   1.754
  245   2HB   LEU  32          3HB       LEU  32  -5.295  -6.182   1.789
  246    HG   LEU  32           HG       LEU  32  -5.202  -5.796  -0.848
  247   1HD1  LEU  32          1HD1      LEU  32  -2.781  -5.821  -1.559
  248   2HD1  LEU  32          2HD1      LEU  32  -3.319  -4.283  -0.880
  249   3HD1  LEU  32          3HD1      LEU  32  -2.351  -5.389   0.095
  250   1HD2  LEU  32          1HD2      LEU  32  -3.608  -7.725   0.844
  251   2HD2  LEU  32          2HD2      LEU  32  -5.126  -8.009  -0.006
  252   3HD2  LEU  32          3HD2      LEU  32  -3.623  -7.849  -0.915
  253    H    VAL  33           H        VAL  33  -7.107  -3.464  -0.891
  254    HA   VAL  33           HA       VAL  33  -9.613  -4.448   0.148
  255    HB   VAL  33           HB       VAL  33  -8.859  -3.169  -2.485
  256   1HG1  VAL  33          1HG1      VAL  33 -11.485  -4.246  -1.466
  257   2HG1  VAL  33          2HG1      VAL  33 -11.439  -2.905  -2.611
  258   3HG1  VAL  33          3HG1      VAL  33 -10.747  -4.466  -3.052
  259   1HG2  VAL  33          1HG2      VAL  33 -10.217  -1.291  -1.523
  260   2HG2  VAL  33          2HG2      VAL  33 -10.346  -2.207  -0.021
  261   3HG2  VAL  33          3HG2      VAL  33  -8.769  -1.651  -0.583
  262    H    ASP  34           H        ASP  34  -7.456  -5.347  -2.556
  263    HA   ASP  34           HA       ASP  34  -8.241  -8.101  -2.357
  264   1HB   ASP  34          2HB       ASP  34 -10.147  -6.854  -3.629
  265   2HB   ASP  34          3HB       ASP  34  -9.003  -6.820  -4.968
  266    H    VAL  35           H        VAL  35  -6.827  -9.442  -3.396
  267    HA   VAL  35           HA       VAL  35  -4.624  -8.125  -4.859
  268    HB   VAL  35           HB       VAL  35  -4.061  -9.264  -2.669
  269   1HG1  VAL  35          1HG1      VAL  35  -4.229 -11.578  -2.415
  270   2HG1  VAL  35          2HG1      VAL  35  -5.715 -11.213  -3.291
  271   3HG1  VAL  35          3HG1      VAL  35  -4.321 -11.864  -4.153
  272   1HG2  VAL  35          1HG2      VAL  35  -2.217 -10.730  -3.900
  273   2HG2  VAL  35          2HG2      VAL  35  -2.849  -9.913  -5.330
  274   3HG2  VAL  35          3HG2      VAL  35  -2.184  -8.971  -3.997
  275    H    GLU  36           H        GLU  36  -4.361  -8.622  -6.938
  276    HA   GLU  36           HA       GLU  36  -5.150 -11.222  -7.976
  277   1HB   GLU  36          2HB       GLU  36  -7.181  -9.597  -8.044
  278   2HB   GLU  36          3HB       GLU  36  -6.301  -8.808  -9.353
  279   1HG   GLU  36          2HG       GLU  36  -6.082 -11.115 -10.420
  280   2HG   GLU  36          3HG       GLU  36  -7.257 -11.675  -9.234
  281    H    ASP  37           H        ASP  37  -3.114 -11.642  -8.664
  282    HA   ASP  37           HA       ASP  37  -1.184 -11.515  -9.899
  283   1HB   ASP  37          2HB       ASP  37  -3.026 -10.042 -11.800
  284   2HB   ASP  37          3HB       ASP  37  -1.460 -10.735 -12.220
  285    H    GLY  38           H        GLY  38  -2.408  -8.460 -11.151
  286   1HA   GLY  38          1HA       GLY  38  -0.327  -7.009  -9.623
  287   2HA   GLY  38          2HA       GLY  38  -0.558  -6.738 -11.346
  288    H    ILE  39           H        ILE  39  -3.587  -7.246 -10.560
  289    HA   ILE  39           HA       ILE  39  -4.210  -4.421 -10.296
  290    HB   ILE  39           HB       ILE  39  -6.133  -6.758 -10.440
  291   1HG1  ILE  39          2HG1      ILE  39  -6.166  -5.630 -12.918
  292   2HG1  ILE  39          3HG1      ILE  39  -4.467  -5.418 -12.500
  293   1HG2  ILE  39          1HG2      ILE  39  -7.624  -4.954 -11.397
  294   2HG2  ILE  39          2HG2      ILE  39  -7.212  -4.717  -9.700
  295   3HG2  ILE  39          3HG2      ILE  39  -6.392  -3.776 -10.944
  296   1HD1  ILE  39          1HD1      ILE  39  -4.654  -7.942 -11.748
  297   2HD1  ILE  39          2HD1      ILE  39  -6.034  -7.955 -12.842
  298   3HD1  ILE  39          3HD1      ILE  39  -4.430  -7.543 -13.449
  299    H    VAL  40           H        VAL  40  -2.994  -4.752  -8.095
  300    HA   VAL  40           HA       VAL  40  -4.642  -5.809  -5.961
  301    HB   VAL  40           HB       VAL  40  -1.916  -4.619  -6.196
  302   1HG1  VAL  40          1HG1      VAL  40  -3.617  -4.578  -3.692
  303   2HG1  VAL  40          2HG1      VAL  40  -1.856  -4.628  -3.623
  304   3HG1  VAL  40          3HG1      VAL  40  -2.668  -3.262  -4.384
  305   1HG2  VAL  40          1HG2      VAL  40  -2.834  -6.873  -4.426
  306   2HG2  VAL  40          2HG2      VAL  40  -2.669  -7.126  -6.164
  307   3HG2  VAL  40          3HG2      VAL  40  -1.269  -6.646  -5.204
  308    H    LYS  41           H        LYS  41  -6.368  -4.729  -5.329
  309    HA   LYS  41           HA       LYS  41  -6.497  -1.821  -5.519
  310   1HB   LYS  41          2HB       LYS  41  -8.546  -3.842  -4.572
  311   2HB   LYS  41          3HB       LYS  41  -8.844  -2.125  -4.826
  312   1HG   LYS  41          2HG       LYS  41  -8.264  -2.360  -7.208
  313   2HG   LYS  41          3HG       LYS  41  -7.923  -4.073  -6.966
  314   1HD   LYS  41          2HD       LYS  41 -10.275  -4.436  -6.279
  315   2HD   LYS  41          3HD       LYS  41 -10.611  -2.725  -6.553
  316   1HE   LYS  41          2HE       LYS  41 -11.311  -3.865  -8.543
  317   2HE   LYS  41          3HE       LYS  41  -9.790  -3.067  -8.941
  318   1HZ   LYS  41          1HZ       LYS  41  -9.878  -5.381  -9.705
  319   1HZ   LYS  41          1HZ       LYS  41 -10.045  -5.903  -8.096
  320   3HZ   LYS  41          3HZ       LYS  41  -8.622  -5.123  -8.596
  321    H    LEU  42           H        LEU  42  -6.124  -0.484  -3.833
  322    HA   LEU  42           HA       LEU  42  -6.300  -1.567  -1.105
  323   1HB   LEU  42          2HB       LEU  42  -4.150  -0.799  -0.463
  324   2HB   LEU  42          3HB       LEU  42  -3.908  -1.664  -1.979
  325    HG   LEU  42           HG       LEU  42  -4.398   0.858  -2.909
  326   1HD1  LEU  42          1HD1      LEU  42  -4.485   1.761  -0.599
  327   2HD1  LEU  42          2HD1      LEU  42  -2.848   1.171  -0.321
  328   3HD1  LEU  42          3HD1      LEU  42  -3.140   2.437  -1.513
  329   1HD2  LEU  42          1HD2      LEU  42  -1.935   1.022  -3.183
  330   2HD2  LEU  42          2HD2      LEU  42  -1.731  -0.289  -2.019
  331   3HD2  LEU  42          3HD2      LEU  42  -2.527  -0.595  -3.565
  332    H    GLN  43           H        GLN  43  -6.853  -0.102   0.464
  333    HA   GLN  43           HA       GLN  43  -7.830   2.490  -0.525
  334   1HB   GLN  43          2HB       GLN  43  -9.299   0.774   0.756
  335   2HB   GLN  43          3HB       GLN  43  -8.437   1.336   2.187
  336   1HG   GLN  43          2HG       GLN  43  -9.180   3.598   1.850
  337   2HG   GLN  43          3HG       GLN  43  -9.819   3.213   0.254
  338   1HE2  GLN  43          2HE2      GLN  43 -11.289   0.892   0.712
  339   2HE2  GLN  43          1HE2      GLN  43 -12.524   1.199   1.835
  340    H    LEU  44           H        LEU  44  -7.637   4.350   1.013
  341    HA   LEU  44           HA       LEU  44  -5.360   4.233   2.848
  342   1HB   LEU  44          2HB       LEU  44  -4.501   4.752   0.498
  343   2HB   LEU  44          3HB       LEU  44  -5.367   6.278   0.636
  344    HG   LEU  44           HG       LEU  44  -4.068   6.371   2.975
  345   1HD1  LEU  44          1HD1      LEU  44  -1.743   5.493   2.604
  346   2HD1  LEU  44          2HD1      LEU  44  -2.954   4.221   2.750
  347   3HD1  LEU  44          3HD1      LEU  44  -2.331   4.666   1.161
  348   1HD2  LEU  44          1HD2      LEU  44  -2.408   7.780   1.866
  349   2HD2  LEU  44          2HD2      LEU  44  -2.752   7.013   0.315
  350   3HD2  LEU  44          3HD2      LEU  44  -3.975   8.016   1.097
  351    H    HIS  45           H        HIS  45  -6.538   4.877   4.583
  352    HA   HIS  45           HA       HIS  45  -8.445   7.046   4.439
  353   1HB   HIS  45          2HB       HIS  45  -7.298   5.744   6.918
  354   2HB   HIS  45          3HB       HIS  45  -8.806   6.646   6.781
  355    HD1  HIS  45           HD1      HIS  45 -10.855   5.408   5.906
  356    HD2  HIS  45           HD2      HIS  45  -7.372   3.132   5.655
  357    HE1  HIS  45           HE1      HIS  45 -11.574   3.063   5.282
  358    H    GLY  46           H        GLY  46  -7.413   8.946   3.894
  359   1HA   GLY  46          1HA       GLY  46  -4.921   9.779   5.021
  360   2HA   GLY  46          2HA       GLY  46  -6.030  10.786   4.097
  361    H    ALA  47           H        ALA  47  -5.730   9.245   7.297
  362    HA   ALA  47           HA       ALA  47  -6.106  10.040   9.410
  363   1HB   ALA  47          1HB       ALA  47  -5.030  12.162   8.318
  364   2HB   ALA  47          2HB       ALA  47  -6.675  12.795   8.373
  365   3HB   ALA  47          3HB       ALA  47  -5.869  12.304   9.862
  366    H    CYS  48           H        CYS  48  -8.323  11.457   6.999
  367    HA   CYS  48           HA       CYS  48 -10.610  10.257   8.248
  368   1HB   CYS  48          2HB       CYS  48  -9.945  13.112   8.805
  369   2HB   CYS  48          3HB       CYS  48 -11.633  12.704   8.521
  370    HG   CYS  48           HG       CYS  48 -11.469  12.172  10.978
  371    H    GLY  49           H        GLY  49  -9.327  10.454   5.611
  372   1HA   GLY  49          1HA       GLY  49 -10.491  10.190   3.536
  373   2HA   GLY  49          2HA       GLY  49 -11.686  11.358   4.087
  374    H    THR  50           H        THR  50 -10.930  11.938   1.691
  375    HA   THR  50           HA       THR  50  -8.605  13.147   0.975
  376    HB   THR  50           HB       THR  50 -10.480  12.992  -0.564
  377    HG1  THR  50           HG1      THR  50  -8.881  14.729  -0.742
  378   1HG2  THR  50          1HG2      THR  50 -11.823  15.293   0.838
  379   2HG2  THR  50          2HG2      THR  50 -12.505  14.156  -0.323
  380   3HG2  THR  50          3HG2      THR  50 -12.154  13.631   1.323
  381    H    CYS  51           H        CYS  51  -7.349  14.559   2.023
  382    HA   CYS  51           HA       CYS  51  -8.168  17.164   2.702
  383   1HB   CYS  51          2HB       CYS  51  -8.612  15.148   4.774
  384   2HB   CYS  51          3HB       CYS  51  -7.594  16.483   5.319
  385    HG   CYS  51           HG       CYS  51 -10.562  16.669   4.791
  386    HA   PRO  52           HA       PRO  52  -3.787  16.353   4.823
  387   1HB   PRO  52          2HB       PRO  52  -2.915  13.847   3.707
  388   2HB   PRO  52          3HB       PRO  52  -3.110  14.279   5.411
  389   1HG   PRO  52          2HG       PRO  52  -4.868  12.733   3.676
  390   2HG   PRO  52          3HG       PRO  52  -4.833  12.845   5.440
  391   1HD   PRO  52          2HD       PRO  52  -6.829  13.921   3.892
  392   2HD   PRO  52          3HD       PRO  52  -6.382  14.547   5.495
  393    H    SER  53           H        SER  53  -2.482  17.619   3.689
  394    HA   SER  53           HA       SER  53  -2.483  17.585   0.795
  395   1HB   SER  53          2HB       SER  53  -0.709  19.456   1.272
  396   2HB   SER  53          3HB       SER  53  -2.410  19.756   1.621
  397    HG   SER  53           HG       SER  53  -1.121  20.321   3.394
  398    H    SER  54           H        SER  54  -0.559  16.265   3.334
  399    HA   SER  54           HA       SER  54   1.845  16.000   1.725
  400   1HB   SER  54          2HB       SER  54   2.763  14.863   3.681
  401   2HB   SER  54          3HB       SER  54   1.990  16.371   4.156
  402    HG   SER  54           HG       SER  54   1.450  14.465   5.440
  403    H    THR  55           H        THR  55  -0.916  14.024   2.644
  404    HA   THR  55           HA       THR  55  -0.051  11.453   2.215
  405    HB   THR  55           HB       THR  55  -2.650  12.794   1.456
  406    HG1  THR  55           HG1      THR  55  -1.689  12.106   3.692
  407   1HG2  THR  55          1HG2      THR  55  -3.546  10.446   1.228
  408   2HG2  THR  55          2HG2      THR  55  -2.456  10.931  -0.071
  409   3HG2  THR  55          3HG2      THR  55  -1.878   9.873   1.216
  410    H    ILE  56           H        ILE  56  -0.640  13.961  -0.160
  411    HA   ILE  56           HA       ILE  56  -0.609  12.442  -2.517
  412    HB   ILE  56           HB       ILE  56   0.500  15.237  -2.127
  413   1HG1  ILE  56          2HG1      ILE  56  -2.327  14.490  -2.923
  414   2HG1  ILE  56          3HG1      ILE  56  -1.878  14.779  -1.243
  415   1HG2  ILE  56          1HG2      ILE  56  -0.325  13.571  -4.487
  416   2HG2  ILE  56          2HG2      ILE  56  -0.543  15.320  -4.552
  417   3HG2  ILE  56          3HG2      ILE  56   1.065  14.640  -4.307
  418   1HD1  ILE  56          1HD1      ILE  56  -1.143  16.811  -3.332
  419   2HD1  ILE  56          2HD1      ILE  56  -2.788  16.768  -2.702
  420   3HD1  ILE  56          3HD1      ILE  56  -1.432  17.040  -1.607
  421    H    THR  57           H        THR  57   2.041  13.911  -0.665
  422    HA   THR  57           HA       THR  57   4.149  13.226  -2.418
  423    HB   THR  57           HB       THR  57   4.268  13.549   0.594
  424    HG1  THR  57           HG1      THR  57   3.768  15.526   0.184
  425   1HG2  THR  57          1HG2      THR  57   6.287  12.597  -0.648
  426   2HG2  THR  57          2HG2      THR  57   6.391  14.152  -1.474
  427   3HG2  THR  57          3HG2      THR  57   6.578  14.068   0.278
  428    H    LEU  58           H        LEU  58   2.945  11.609   0.530
  429    HA   LEU  58           HA       LEU  58   4.701   9.409   0.448
  430   1HB   LEU  58          2HB       LEU  58   2.064   9.965   1.744
  431   2HB   LEU  58          3HB       LEU  58   2.637   8.298   1.695
  432    HG   LEU  58           HG       LEU  58   4.725   8.937   2.793
  433   1HD1  LEU  58          1HD1      LEU  58   3.607  11.719   2.438
  434   2HD1  LEU  58          2HD1      LEU  58   4.787  11.373   3.702
  435   3HD1  LEU  58          3HD1      LEU  58   5.207  11.112   2.009
  436   1HD2  LEU  58          1HD2      LEU  58   2.424  10.240   4.277
  437   2HD2  LEU  58          2HD2      LEU  58   2.616   8.493   4.141
  438   3HD2  LEU  58          3HD2      LEU  58   3.840   9.452   4.973
  439    H    LYS  59           H        LYS  59   1.411   9.796  -0.845
  440    HA   LYS  59           HA       LYS  59   0.874   7.295  -1.819
  441   1HB   LYS  59          2HB       LYS  59  -0.621   9.295  -1.989
  442   2HB   LYS  59          3HB       LYS  59   0.360   9.861  -3.340
  443   1HG   LYS  59          2HG       LYS  59  -0.162   7.840  -4.612
  444   2HG   LYS  59          3HG       LYS  59  -1.061   7.182  -3.245
  445   1HD   LYS  59          2HD       LYS  59  -2.789   8.775  -3.457
  446   2HD   LYS  59          3HD       LYS  59  -1.797   9.853  -4.438
  447   1HE   LYS  59          2HE       LYS  59  -2.481   7.086  -5.415
  448   2HE   LYS  59          3HE       LYS  59  -3.605   8.426  -5.642
  449   1HZ   LYS  59          1HZ       LYS  59  -2.199   8.262  -7.550
  450   1HZ   LYS  59          1HZ       LYS  59  -0.796   8.279  -6.593
  451   3HZ   LYS  59          3HZ       LYS  59  -1.772   9.666  -6.700
  452    H    ALA  60           H        ALA  60   2.415   9.854  -3.782
  453    HA   ALA  60           HA       ALA  60   3.173   8.186  -5.912
  454   1HB   ALA  60          1HB       ALA  60   4.295  10.811  -4.922
  455   2HB   ALA  60          2HB       ALA  60   4.836  10.031  -6.408
  456   3HB   ALA  60          3HB       ALA  60   3.158  10.554  -6.245
  457    H    GLY  61           H        GLY  61   4.576   8.693  -2.779
  458   1HA   GLY  61          1HA       GLY  61   7.226   7.824  -3.324
  459   2HA   GLY  61          2HA       GLY  61   6.449   7.837  -1.744
  460    H    ILE  62           H        ILE  62   4.537   6.083  -1.725
  461    HA   ILE  62           HA       ILE  62   5.823   3.562  -1.797
  462    HB   ILE  62           HB       ILE  62   3.040   3.084  -1.820
  463   1HG1  ILE  62          2HG1      ILE  62   3.761   5.522  -0.148
  464   2HG1  ILE  62          3HG1      ILE  62   2.728   5.543  -1.578
  465   1HG2  ILE  62          1HG2      ILE  62   4.919   2.071  -0.436
  466   2HG2  ILE  62          2HG2      ILE  62   4.816   3.495   0.600
  467   3HG2  ILE  62          3HG2      ILE  62   3.433   2.413   0.450
  468   1HD1  ILE  62          1HD1      ILE  62   2.199   4.231   1.089
  469   2HD1  ILE  62          2HD1      ILE  62   1.227   5.442   0.256
  470   3HD1  ILE  62          3HD1      ILE  62   1.293   3.791  -0.360
  471    H    GLU  63           H        GLU  63   3.258   4.944  -3.858
  472    HA   GLU  63           HA       GLU  63   2.789   2.903  -5.611
  473   1HB   GLU  63          2HB       GLU  63   1.702   5.130  -5.730
  474   2HB   GLU  63          3HB       GLU  63   3.189   5.799  -6.408
  475   1HG   GLU  63          2HG       GLU  63   3.035   4.309  -8.335
  476   2HG   GLU  63          3HG       GLU  63   1.632   3.506  -7.640
  477    H    ARG  64           H        ARG  64   5.381   5.330  -5.957
  478    HA   ARG  64           HA       ARG  64   6.602   4.328  -8.242
  479   1HB   ARG  64          2HB       ARG  64   7.122   6.489  -7.009
  480   2HB   ARG  64          3HB       ARG  64   8.104   5.524  -5.907
  481   1HG   ARG  64          2HG       ARG  64   9.272   4.629  -8.032
  482   2HG   ARG  64          3HG       ARG  64   8.506   5.982  -8.865
  483   1HD   ARG  64          2HD       ARG  64  10.503   6.971  -8.239
  484   2HD   ARG  64          3HD       ARG  64   9.504   7.371  -6.845
  485    HE   ARG  64           HE       ARG  64  10.905   4.861  -6.560
  486   1HH1  ARG  64          1HH2      ARG  64  10.244   7.144  -4.520
  487   2HH1  ARG  64          2HH2      ARG  64  11.847   7.619  -4.069
  488   1HH2  ARG  64          1HH1      ARG  64  13.363   5.974  -6.718
  489   2HH2  ARG  64          2HH1      ARG  64  13.612   6.954  -5.312
  490    H    ALA  65           H        ALA  65   7.547   3.677  -4.857
  491    HA   ALA  65           HA       ALA  65   9.515   1.769  -5.359
  492   1HB   ALA  65          1HB       ALA  65   8.665   2.907  -3.127
  493   2HB   ALA  65          2HB       ALA  65   7.703   1.433  -2.999
  494   3HB   ALA  65          3HB       ALA  65   9.463   1.335  -3.086
  495    H    LEU  66           H        LEU  66   6.058   1.251  -4.669
  496    HA   LEU  66           HA       LEU  66   6.043  -1.545  -4.944
  497   1HB   LEU  66          2HB       LEU  66   3.870   0.509  -5.424
  498   2HB   LEU  66          3HB       LEU  66   3.587  -1.232  -5.387
  499    HG   LEU  66           HG       LEU  66   4.853   0.324  -3.110
  500   1HD1  LEU  66          1HD1      LEU  66   2.639  -0.010  -1.990
  501   2HD1  LEU  66          2HD1      LEU  66   2.555   1.068  -3.381
  502   3HD1  LEU  66          3HD1      LEU  66   1.994  -0.599  -3.522
  503   1HD2  LEU  66          1HD2      LEU  66   4.185  -2.532  -3.640
  504   2HD2  LEU  66          2HD2      LEU  66   5.480  -1.843  -2.659
  505   3HD2  LEU  66          3HD2      LEU  66   3.841  -1.930  -2.018
  506    H    HIS  67           H        HIS  67   5.084   0.944  -7.316
  507    HA   HIS  67           HA       HIS  67   4.580  -0.664  -9.508
  508   1HB   HIS  67          2HB       HIS  67   5.571   2.145  -9.187
  509   2HB   HIS  67          3HB       HIS  67   5.561   1.425 -10.797
  510    HD1  HIS  67           HD1      HIS  67   3.519   2.318 -11.922
  511    HD2  HIS  67           HD2      HIS  67   2.726   1.159  -7.999
  512    HE1  HIS  67           HE1      HIS  67   1.026   2.603 -11.582
  513    H    GLU  68           H        GLU  68   7.686   0.586  -8.348
  514    HA   GLU  68           HA       GLU  68   9.265  -0.289 -10.514
  515   1HB   GLU  68          2HB       GLU  68   9.832   1.292  -8.501
  516   2HB   GLU  68          3HB       GLU  68  10.350  -0.203  -7.719
  517   1HG   GLU  68          2HG       GLU  68  11.760  -0.679  -9.761
  518   2HG   GLU  68          3HG       GLU  68  11.362   0.939 -10.339
  519    H    GLU  69           H        GLU  69   8.841  -1.801  -7.283
  520    HA   GLU  69           HA       GLU  69  10.055  -4.250  -8.243
  521   1HB   GLU  69          2HB       GLU  69   8.884  -3.417  -5.578
  522   2HB   GLU  69          3HB       GLU  69   9.540  -5.024  -5.889
  523   1HG   GLU  69          2HG       GLU  69  11.690  -3.921  -6.611
  524   2HG   GLU  69          3HG       GLU  69  11.021  -2.387  -6.064
  525    H    VAL  70           H        VAL  70   7.752  -5.099  -6.071
  526    HA   VAL  70           HA       VAL  70   6.047  -6.666  -6.328
  527    HB   VAL  70           HB       VAL  70   4.854  -4.404  -7.942
  528   1HG1  VAL  70          1HG1      VAL  70   2.777  -5.236  -7.240
  529   2HG1  VAL  70          2HG1      VAL  70   3.692  -6.724  -7.480
  530   3HG1  VAL  70          3HG1      VAL  70   3.473  -6.076  -5.854
  531   1HG2  VAL  70          1HG2      VAL  70   6.045  -3.644  -5.821
  532   2HG2  VAL  70          2HG2      VAL  70   4.318  -3.295  -5.875
  533   3HG2  VAL  70          3HG2      VAL  70   4.914  -4.652  -4.921
  534    HA   PRO  71           HA       PRO  71   7.648  -7.613 -10.770
  535   1HB   PRO  71          2HB       PRO  71   7.912 -10.309  -9.776
  536   2HB   PRO  71          3HB       PRO  71   9.190  -9.205 -10.307
  537   1HG   PRO  71          2HG       PRO  71   8.280  -9.844  -7.597
  538   2HG   PRO  71          3HG       PRO  71   9.820  -9.164  -8.144
  539   1HD   PRO  71          2HD       PRO  71   7.977  -7.685  -6.798
  540   2HD   PRO  71          3HD       PRO  71   9.055  -6.977  -8.026
  541    H    GLY  72           H        GLY  72   5.821  -7.619 -11.954
  542   1HA   GLY  72          1HA       GLY  72   4.269  -9.222 -13.036
  543   2HA   GLY  72          2HA       GLY  72   3.792  -9.710 -11.413
  544    H    VAL  73           H        VAL  73   4.258  -6.578 -10.969
  545    HA   VAL  73           HA       VAL  73   1.497  -5.909 -10.901
  546    HB   VAL  73           HB       VAL  73   3.324  -4.942  -9.431
  547   1HG1  VAL  73          1HG1      VAL  73   4.695  -4.409 -11.636
  548   2HG1  VAL  73          2HG1      VAL  73   3.769  -2.908 -11.589
  549   3HG1  VAL  73          3HG1      VAL  73   4.810  -3.348 -10.234
  550   1HG2  VAL  73          1HG2      VAL  73   2.065  -3.024  -9.041
  551   2HG2  VAL  73          2HG2      VAL  73   1.836  -2.699 -10.759
  552   3HG2  VAL  73          3HG2      VAL  73   0.917  -3.984  -9.974
  553    H    ILE  74           H        ILE  74   0.306  -4.484 -12.117
  554    HA   ILE  74           HA       ILE  74   1.467  -3.549 -14.651
  555    HB   ILE  74           HB       ILE  74  -1.261  -4.612 -14.920
  556   1HG1  ILE  74          2HG1      ILE  74   1.082  -6.459 -14.356
  557   2HG1  ILE  74          3HG1      ILE  74  -0.426  -6.358 -13.450
  558   1HG2  ILE  74          1HG2      ILE  74  -0.372  -5.376 -17.039
  559   2HG2  ILE  74          2HG2      ILE  74   0.236  -3.745 -16.752
  560   3HG2  ILE  74          3HG2      ILE  74   1.284  -5.138 -16.481
  561   1HD1  ILE  74          1HD1      ILE  74  -1.562  -6.914 -15.729
  562   2HD1  ILE  74          2HD1      ILE  74   0.043  -7.465 -16.210
  563   3HD1  ILE  74          3HD1      ILE  74  -0.774  -8.219 -14.842
  564    H    GLU  75           H        GLU  75  -1.083  -3.373 -12.229
  565    HA   GLU  75           HA       GLU  75  -1.356  -0.541 -12.592
  566   1HB   GLU  75          2HB       GLU  75  -2.752  -1.793 -14.471
  567   2HB   GLU  75          3HB       GLU  75  -3.918  -1.982 -13.166
  568   1HG   GLU  75          2HG       GLU  75  -2.749   0.629 -14.175
  569   2HG   GLU  75          3HG       GLU  75  -4.403   0.066 -14.397
  570    H    VAL  76           H        VAL  76  -1.294  -0.079 -10.458
  571    HA   VAL  76           HA       VAL  76  -2.760  -1.711  -8.522
  572    HB   VAL  76           HB       VAL  76  -0.412  -0.772  -8.124
  573   1HG1  VAL  76          1HG1      VAL  76  -0.216   1.541  -7.458
  574   2HG1  VAL  76          2HG1      VAL  76  -1.012   1.516  -9.032
  575   3HG1  VAL  76          3HG1      VAL  76  -1.959   1.778  -7.567
  576   1HG2  VAL  76          1HG2      VAL  76  -0.798  -0.626  -5.804
  577   2HG2  VAL  76          2HG2      VAL  76  -2.359   0.166  -6.016
  578   3HG2  VAL  76          3HG2      VAL  76  -2.185  -1.553  -6.368
  579    H    GLU  77           H        GLU  77  -3.998  -0.395  -6.769
  580    HA   GLU  77           HA       GLU  77  -5.365   1.931  -7.923
  581   1HB   GLU  77          2HB       GLU  77  -6.602  -0.715  -7.389
  582   2HB   GLU  77          3HB       GLU  77  -7.525   0.706  -6.900
  583   1HG   GLU  77          2HG       GLU  77  -6.275   0.575  -9.639
  584   2HG   GLU  77          3HG       GLU  77  -7.819  -0.210  -9.333
  585    H    GLN  78           H        GLN  78  -5.246   3.476  -6.500
  586    HA   GLN  78           HA       GLN  78  -5.334   2.820  -3.618
  587   1HB   GLN  78          2HB       GLN  78  -3.209   3.852  -4.442
  588   2HB   GLN  78          3HB       GLN  78  -4.134   5.265  -4.946
  589   1HG   GLN  78          2HG       GLN  78  -4.431   4.300  -2.124
  590   2HG   GLN  78          3HG       GLN  78  -2.968   5.178  -2.558
  591   1HE2  GLN  78          2HE2      GLN  78  -5.709   5.828  -1.045
  592   2HE2  GLN  78          1HE2      GLN  78  -6.076   7.371  -1.649
  593    H    VAL  79           H        VAL  79  -7.606   2.859  -3.509
  594    HA   VAL  79           HA       VAL  79  -8.966   5.333  -4.292
  595    HB   VAL  79           HB       VAL  79 -11.027   4.089  -3.559
  596   1HG1  VAL  79          1HG1      VAL  79 -10.824   2.372  -5.451
  597   2HG1  VAL  79          2HG1      VAL  79 -10.509   4.051  -5.887
  598   3HG1  VAL  79          3HG1      VAL  79  -9.164   2.935  -5.646
  599   1HG2  VAL  79          1HG2      VAL  79  -9.224   1.664  -3.435
  600   2HG2  VAL  79          2HG2      VAL  79  -9.635   2.580  -1.984
  601   3HG2  VAL  79          3HG2      VAL  79 -10.907   1.802  -2.928
  602    H    PHE  80           H        PHE  80 -10.248   6.550  -2.837
  603    HA   PHE  80           HA       PHE  80  -9.137   6.622  -0.117
  604   1HB   PHE  80          2HB       PHE  80 -10.719   8.597  -1.771
  605   2HB   PHE  80          3HB       PHE  80 -10.445   8.825  -0.044
  606    HD1  PHE  80           HD1      PHE  80  -9.161   9.525  -3.246
  607    HD2  PHE  80           HD2      PHE  80  -7.913   8.438   0.718
  608    HE1  PHE  80           HE1      PHE  80  -6.900  10.434  -3.705
  609    HE2  PHE  80           HE2      PHE  80  -5.656   9.347   0.258
  610    HZ   PHE  80           HZ       PHE  80  -5.148  10.345  -1.953
  611    H    LEU  81           H        LEU  81 -10.957   7.553   1.481
  612    HA   LEU  81           HA       LEU  81 -12.819   5.402   1.803
  613   1HB   LEU  81          2HB       LEU  81 -11.778   6.645   3.709
  614   2HB   LEU  81          3HB       LEU  81 -12.746   8.053   3.267
  615    HG   LEU  81           HG       LEU  81 -14.690   6.166   3.340
  616   1HD1  LEU  81          1HD1      LEU  81 -12.882   4.509   4.107
  617   2HD1  LEU  81          2HD1      LEU  81 -12.886   5.390   5.635
  618   3HD1  LEU  81          3HD1      LEU  81 -14.351   4.586   5.077
  619   1HD2  LEU  81          1HD2      LEU  81 -15.087   8.102   4.558
  620   2HD2  LEU  81          2HD2      LEU  81 -14.872   6.936   5.862
  621   3HD2  LEU  81          3HD2      LEU  81 -13.546   8.009   5.411
  622    H    GLU  82           H        GLU  82 -13.827   5.667  -0.336
  623    HA   GLU  82           HA       GLU  82 -15.334   7.839  -1.192
  624   1HB   GLU  82          2HB       GLU  82 -16.753   6.053  -2.354
  625   2HB   GLU  82          3HB       GLU  82 -15.026   6.047  -2.715
  626   1HG   GLU  82          2HG       GLU  82 -14.628   4.211  -1.226
  627   2HG   GLU  82          3HG       GLU  82 -16.238   4.342  -0.524
  628    H    HIS  83           H        HIS  83 -17.686   8.095  -1.214
  629    HA   HIS  83           HA       HIS  83 -18.759   7.975   1.439
  630   1HB   HIS  83          2HB       HIS  83 -20.025   8.770  -1.195
  631   2HB   HIS  83          3HB       HIS  83 -20.768   8.995   0.390
  632    HD1  HIS  83           HD1      HIS  83 -20.630  11.513   0.636
  633    HD2  HIS  83           HD2      HIS  83 -16.968   9.834  -0.440
  634    HE1  HIS  83           HE1      HIS  83 -18.908  13.362   0.824
  635    H    HIS  84           H        HIS  84 -19.884   6.581  -1.653
  636    HA   HIS  84           HA       HIS  84 -21.084   4.694  -2.141
  637   1HB   HIS  84          2HB       HIS  84 -19.170   3.637  -0.853
  638   2HB   HIS  84          3HB       HIS  84 -20.230   3.629   0.558
  639    HD1  HIS  84           HD1      HIS  84 -21.774   1.666   0.757
  640    HD2  HIS  84           HD2      HIS  84 -20.401   2.158  -3.150
  641    HE1  HIS  84           HE1      HIS  84 -22.657  -0.305  -0.568
  642    H    HIS  85           H        HIS  85 -23.181   4.052  -1.980
  643    HA   HIS  85           HA       HIS  85 -24.692   4.254   0.459
  644   1HB   HIS  85          2HB       HIS  85 -26.296   5.974  -0.534
  645   2HB   HIS  85          3HB       HIS  85 -24.742   6.592   0.024
  646    HD1  HIS  85           HD1      HIS  85 -26.900   6.551  -2.890
  647    HD2  HIS  85           HD2      HIS  85 -22.787   6.809  -2.256
  648    HE1  HIS  85           HE1      HIS  85 -25.896   7.435  -5.041
  649    H    HIS  86           H        HIS  86 -26.444   2.978   0.372
  650    HA   HIS  86           HA       HIS  86 -27.173   1.830  -2.254
  651   1HB   HIS  86          2HB       HIS  86 -27.924  -0.154  -0.911
  652   2HB   HIS  86          3HB       HIS  86 -26.189   0.150  -0.840
  653    HD1  HIS  86           HD1      HIS  86 -25.404   1.628   1.338
  654    HD2  HIS  86           HD2      HIS  86 -29.130  -0.226   1.587
  655    HE1  HIS  86           HE1      HIS  86 -26.030   1.605   3.794
  656    H    HIS  87           H        HIS  87 -28.697   3.516  -2.615
  657    HA   HIS  87           HA       HIS  87 -30.841   4.118  -0.849
  658   1HB   HIS  87          2HB       HIS  87 -31.842   5.220  -2.800
  659   2HB   HIS  87          3HB       HIS  87 -30.128   5.614  -2.682
  660    HD1  HIS  87           HD1      HIS  87 -28.764   3.274  -3.975
  661    HD2  HIS  87           HD2      HIS  87 -32.303   4.863  -5.501
  662    HE1  HIS  87           HE1      HIS  87 -28.878   2.564  -6.402
  663    H    HIS  88           H        HIS  88 -33.111   3.910  -2.447
  664    HA   HIS  88           HA       HIS  88 -33.780   1.111  -2.066
  665   1HB   HIS  88          2HB       HIS  88 -35.283   3.070  -1.440
  666   2HB   HIS  88          3HB       HIS  88 -35.555   3.302  -3.165
  667    HD1  HIS  88           HD1      HIS  88 -35.126  -0.230  -2.337
  668    HD2  HIS  88           HD2      HIS  88 -38.317   2.452  -2.418
  669    HE1  HIS  88           HE1      HIS  88 -37.236  -1.627  -2.323
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1   6.727 -26.348  -9.496
    2   2H    MET   1          2HT       MET   1   5.497 -25.192  -9.690
    3   3H    MET   1          3HT       MET   1   5.138 -26.848  -9.814
    4    HA   MET   1           HA       MET   1   4.728 -26.973  -7.659
    5   1HB   MET   1          2HB       MET   1   7.554 -25.918  -7.546
    6   2HB   MET   1          3HB       MET   1   6.633 -26.196  -6.069
    7   1HG   MET   1          2HG       MET   1   6.565 -28.497  -6.379
    8   2HG   MET   1          3HG       MET   1   6.734 -28.371  -8.131
    9   1HE   MET   1          1HE       MET   1   9.827 -30.225  -6.157
   10   2HE   MET   1          2HE       MET   1   8.259 -30.532  -6.900
   11   3HE   MET   1          3HE       MET   1   8.340 -29.794  -5.303
   12    HA   PRO   2           HA       PRO   2   3.613 -22.459  -7.589
   13   1HB   PRO   2          2HB       PRO   2   0.825 -23.194  -7.733
   14   2HB   PRO   2          3HB       PRO   2   1.797 -22.333  -8.933
   15   1HG   PRO   2          2HG       PRO   2   0.773 -24.885  -9.212
   16   2HG   PRO   2          3HG       PRO   2   2.073 -24.176 -10.181
   17   1HD   PRO   2          2HD       PRO   2   2.249 -26.142  -7.948
   18   2HD   PRO   2          3HD       PRO   2   3.324 -25.917  -9.346
   19    H    THR   3           H        THR   3   0.861 -24.284  -6.356
   20    HA   THR   3           HA       THR   3  -0.070 -24.495  -4.274
   21    HB   THR   3           HB       THR   3   2.516 -23.926  -2.892
   22    HG1  THR   3           HG1      THR   3   3.187 -25.132  -4.657
   23   1HG2  THR   3          1HG2      THR   3   0.704 -26.309  -2.575
   24   2HG2  THR   3          2HG2      THR   3   1.738 -25.535  -1.373
   25   3HG2  THR   3          3HG2      THR   3   0.249 -24.748  -1.896
   26    H    GLU   4           H        GLU   4  -0.963 -23.210  -2.647
   27    HA   GLU   4           HA       GLU   4  -1.206 -20.485  -3.075
   28   1HB   GLU   4          2HB       GLU   4  -1.814 -20.430  -0.549
   29   2HB   GLU   4          3HB       GLU   4  -2.807 -21.407  -1.628
   30   1HG   GLU   4          2HG       GLU   4  -1.686 -23.430  -0.963
   31   2HG   GLU   4          3HG       GLU   4  -0.459 -22.527  -0.080
   32    H    ASN   5           H        ASN   5   1.105 -22.189  -0.976
   33    HA   ASN   5           HA       ASN   5   2.941 -21.405   0.210
   34   1HB   ASN   5          2HB       ASN   5   4.577 -20.499  -1.273
   35   2HB   ASN   5          3HB       ASN   5   3.540 -21.497  -2.271
   36   1HD2  ASN   5          2HD2      ASN   5   3.392 -20.451  -4.259
   37   2HD2  ASN   5          1HD2      ASN   5   3.036 -18.802  -4.457
   38    HA   PRO   6           HA       PRO   6   2.451 -17.334   1.931
   39   1HB   PRO   6          2HB       PRO   6   4.748 -15.848   1.001
   40   2HB   PRO   6          3HB       PRO   6   4.499 -16.594   2.586
   41   1HG   PRO   6          2HG       PRO   6   6.303 -17.413   0.631
   42   2HG   PRO   6          3HG       PRO   6   5.823 -18.319   2.070
   43   1HD   PRO   6          2HD       PRO   6   5.047 -18.739  -0.740
   44   2HD   PRO   6          3HD       PRO   6   4.978 -19.870   0.628
   45    H    THR   7           H        THR   7   0.660 -17.033   0.488
   46    HA   THR   7           HA       THR   7   0.807 -15.860  -2.058
   47    HB   THR   7           HB       THR   7  -1.571 -15.401  -0.297
   48    HG1  THR   7           HG1      THR   7  -0.552 -17.576  -0.011
   49   1HG2  THR   7          1HG2      THR   7  -2.709 -16.139  -2.413
   50   2HG2  THR   7          2HG2      THR   7  -1.718 -14.694  -2.611
   51   3HG2  THR   7          3HG2      THR   7  -1.120 -16.257  -3.169
   52    H    MET   8           H        MET   8  -0.210 -13.701  -2.597
   53    HA   MET   8           HA       MET   8   1.305 -11.583  -1.739
   54   1HB   MET   8          2HB       MET   8  -1.443 -11.742  -2.944
   55   2HB   MET   8          3HB       MET   8  -0.781 -10.178  -2.464
   56   1HG   MET   8          2HG       MET   8   0.711 -12.125  -4.242
   57   2HG   MET   8          3HG       MET   8  -0.319 -10.838  -4.870
   58   1HE   MET   8          1HE       MET   8   1.818  -9.329  -6.144
   59   2HE   MET   8          2HE       MET   8   2.137 -11.047  -5.920
   60   3HE   MET   8          3HE       MET   8   3.377  -9.867  -5.506
   61    H    PHE   9           H        PHE   9  -1.997 -12.344  -0.598
   62    HA   PHE   9           HA       PHE   9  -2.446 -10.406   1.252
   63   1HB   PHE   9          2HB       PHE   9  -3.325 -13.139   0.881
   64   2HB   PHE   9          3HB       PHE   9  -3.208 -12.750   2.596
   65    HD1  PHE   9           HD1      PHE   9  -5.237 -12.493  -0.304
   66    HD2  PHE   9           HD2      PHE   9  -4.203 -10.412   3.310
   67    HE1  PHE   9           HE1      PHE   9  -7.339 -11.187  -0.455
   68    HE2  PHE   9           HE2      PHE   9  -6.305  -9.105   3.157
   69    HZ   PHE   9           HZ       PHE   9  -7.874  -9.493   1.275
   70    H    ASP  10           H        ASP  10  -0.368 -13.229   1.684
   71    HA   ASP  10           HA       ASP  10   0.236 -12.880   4.413
   72   1HB   ASP  10          2HB       ASP  10   0.726 -14.916   3.003
   73   2HB   ASP  10          3HB       ASP  10   2.080 -14.028   2.310
   74    H    GLN  11           H        GLN  11   2.239 -12.044   1.587
   75    HA   GLN  11           HA       GLN  11   4.202 -10.592   2.969
   76   1HB   GLN  11          2HB       GLN  11   3.829 -11.397   0.379
   77   2HB   GLN  11          3HB       GLN  11   3.610  -9.655   0.241
   78   1HG   GLN  11          2HG       GLN  11   5.771  -9.511   1.703
   79   2HG   GLN  11          3HG       GLN  11   6.028 -11.179   1.183
   80   1HE2  GLN  11          2HE2      GLN  11   5.835  -7.822   0.043
   81   2HE2  GLN  11          1HE2      GLN  11   6.491  -8.130  -1.493
   82    H    VAL  12           H        VAL  12   1.498  -9.281   1.036
   83    HA   VAL  12           HA       VAL  12   1.917  -6.608   1.568
   84    HB   VAL  12           HB       VAL  12  -0.410  -6.263   1.006
   85   1HG1  VAL  12          1HG1      VAL  12   1.301  -7.163  -0.671
   86   2HG1  VAL  12          2HG1      VAL  12   0.473  -8.710  -0.496
   87   3HG1  VAL  12          3HG1      VAL  12  -0.404  -7.309  -1.105
   88   1HG2  VAL  12          1HG2      VAL  12  -1.645  -7.819   2.293
   89   2HG2  VAL  12          2HG2      VAL  12  -1.797  -8.437   0.649
   90   3HG2  VAL  12          3HG2      VAL  12  -0.647  -9.171   1.760
   91    H    ALA  13           H        ALA  13  -0.350  -8.734   3.327
   92    HA   ALA  13           HA       ALA  13  -1.017  -6.950   5.305
   93   1HB   ALA  13          1HB       ALA  13  -1.690  -8.856   6.649
   94   2HB   ALA  13          2HB       ALA  13  -2.094  -9.179   4.963
   95   3HB   ALA  13          3HB       ALA  13  -0.674  -9.933   5.690
   96    H    GLU  14           H        GLU  14   1.735  -9.152   5.083
   97    HA   GLU  14           HA       GLU  14   2.788  -8.710   7.676
   98   1HB   GLU  14          2HB       GLU  14   3.437 -10.566   6.092
   99   2HB   GLU  14          3HB       GLU  14   4.390  -9.380   5.202
  100   1HG   GLU  14          2HG       GLU  14   5.412  -8.844   7.566
  101   2HG   GLU  14          3HG       GLU  14   4.809 -10.447   7.980
  102    H    VAL  15           H        VAL  15   3.887  -7.373   4.551
  103    HA   VAL  15           HA       VAL  15   5.731  -5.547   5.616
  104    HB   VAL  15           HB       VAL  15   4.134  -5.347   3.050
  105   1HG1  VAL  15          1HG1      VAL  15   5.104  -3.204   3.475
  106   2HG1  VAL  15          2HG1      VAL  15   6.605  -3.923   4.058
  107   3HG1  VAL  15          3HG1      VAL  15   6.195  -4.007   2.346
  108   1HG2  VAL  15          1HG2      VAL  15   6.964  -6.356   3.426
  109   2HG2  VAL  15          2HG2      VAL  15   5.573  -7.438   3.471
  110   3HG2  VAL  15          3HG2      VAL  15   5.929  -6.522   2.007
  111    H    ILE  16           H        ILE  16   2.371  -4.949   4.552
  112    HA   ILE  16           HA       ILE  16   2.228  -2.243   5.219
  113    HB   ILE  16           HB       ILE  16   0.067  -4.363   5.245
  114   1HG1  ILE  16          2HG1      ILE  16   0.454  -2.221   3.169
  115   2HG1  ILE  16          3HG1      ILE  16   1.458  -3.668   3.110
  116   1HG2  ILE  16          1HG2      ILE  16  -0.100  -1.338   5.384
  117   2HG2  ILE  16          2HG2      ILE  16  -1.469  -2.379   4.992
  118   3HG2  ILE  16          3HG2      ILE  16  -0.700  -2.491   6.576
  119   1HD1  ILE  16          1HD1      ILE  16  -0.628  -5.053   3.162
  120   2HD1  ILE  16          2HD1      ILE  16  -1.571  -3.567   3.062
  121   3HD1  ILE  16          3HD1      ILE  16  -0.510  -4.030   1.731
  122    H    GLU  17           H        GLU  17   1.280  -5.051   7.199
  123    HA   GLU  17           HA       GLU  17   0.432  -3.757   9.490
  124   1HB   GLU  17          2HB       GLU  17   0.176  -6.137   9.271
  125   2HB   GLU  17          3HB       GLU  17   1.921  -6.370   9.183
  126   1HG   GLU  17          2HG       GLU  17   2.229  -5.966  11.452
  127   2HG   GLU  17          3HG       GLU  17   0.760  -5.002  11.587
  128    H    ARG  18           H        ARG  18   3.737  -4.569   8.512
  129    HA   ARG  18           HA       ARG  18   5.006  -3.782  10.922
  130   1HB   ARG  18          2HB       ARG  18   5.947  -4.153   8.087
  131   2HB   ARG  18          3HB       ARG  18   7.035  -3.540   9.332
  132   1HG   ARG  18          2HG       ARG  18   6.973  -5.529  10.554
  133   2HG   ARG  18          3HG       ARG  18   5.426  -6.023   9.864
  134   1HD   ARG  18          2HD       ARG  18   6.390  -6.772   7.883
  135   2HD   ARG  18          3HD       ARG  18   7.792  -5.720   8.045
  136    HE   ARG  18           HE       ARG  18   7.515  -8.379   9.104
  137   1HH1  ARG  18          1HH2      ARG  18  10.115  -7.186   8.189
  138   2HH1  ARG  18          2HH2      ARG  18  10.962  -6.950   9.681
  139   1HH2  ARG  18          1HH1      ARG  18   8.128  -7.252  11.647
  140   2HH2  ARG  18          2HH1      ARG  18   9.841  -6.988  11.635
  141    H    LEU  19           H        LEU  19   4.427  -2.059   7.867
  142    HA   LEU  19           HA       LEU  19   5.705   0.355   8.734
  143   1HB   LEU  19          2HB       LEU  19   3.899  -0.299   6.407
  144   2HB   LEU  19          3HB       LEU  19   4.580   1.306   6.672
  145    HG   LEU  19           HG       LEU  19   6.383  -1.104   6.669
  146   1HD1  LEU  19          1HD1      LEU  19   6.701  -0.868   4.263
  147   2HD1  LEU  19          2HD1      LEU  19   4.997  -1.180   4.590
  148   3HD1  LEU  19          3HD1      LEU  19   5.535   0.455   4.208
  149   1HD2  LEU  19          1HD2      LEU  19   6.776   1.784   5.808
  150   2HD2  LEU  19          2HD2      LEU  19   7.201   1.148   7.398
  151   3HD2  LEU  19          3HD2      LEU  19   8.033   0.557   5.960
  152    H    ARG  20           H        ARG  20   2.477  -0.914   9.024
  153    HA   ARG  20           HA       ARG  20   0.780   1.162   9.136
  154   1HB   ARG  20          2HB       ARG  20   1.005  -1.327  10.653
  155   2HB   ARG  20          3HB       ARG  20   0.113  -0.069  11.505
  156   1HG   ARG  20          2HG       ARG  20  -1.262   0.276   9.429
  157   2HG   ARG  20          3HG       ARG  20  -0.449  -1.120   8.718
  158   1HD   ARG  20          2HD       ARG  20  -1.310  -2.586  10.423
  159   2HD   ARG  20          3HD       ARG  20  -1.926  -1.227  11.359
  160    HE   ARG  20           HE       ARG  20  -3.129  -2.377   8.958
  161   1HH1  ARG  20          1HH1      ARG  20  -3.535  -0.548  11.790
  162   2HH1  ARG  20          2HH1      ARG  20  -4.903   0.347  11.216
  163   1HH2  ARG  20          1HH2      ARG  20  -4.695  -0.887   7.985
  164   2HH2  ARG  20          2HH2      ARG  20  -5.559   0.155   9.065
  165    HA   PRO  21           HA       PRO  21   2.018   2.415  13.752
  166   1HB   PRO  21          2HB       PRO  21   4.851   1.902  13.886
  167   2HB   PRO  21          3HB       PRO  21   3.570   1.248  14.917
  168   1HG   PRO  21          2HG       PRO  21   4.961   0.019  12.668
  169   2HG   PRO  21          3HG       PRO  21   4.016  -0.734  13.960
  170   1HD   PRO  21          2HD       PRO  21   3.162  -0.592  11.363
  171   2HD   PRO  21          3HD       PRO  21   2.055  -0.660  12.749
  172    H    PHE  22           H        PHE  22   4.631   2.449  11.317
  173    HA   PHE  22           HA       PHE  22   5.313   5.203  11.809
  174   1HB   PHE  22          2HB       PHE  22   6.849   3.338  10.916
  175   2HB   PHE  22          3HB       PHE  22   6.069   3.615   9.360
  176    HD1  PHE  22           HD1      PHE  22   8.368   4.960  11.869
  177    HD2  PHE  22           HD2      PHE  22   6.257   5.819   8.226
  178    HE1  PHE  22           HE1      PHE  22   9.829   6.925  11.483
  179    HE2  PHE  22           HE2      PHE  22   7.720   7.784   7.842
  180    HZ   PHE  22           HZ       PHE  22   9.506   8.336   9.471
  181    H    LEU  23           H        LEU  23   3.612   3.436   9.247
  182    HA   LEU  23           HA       LEU  23   3.100   5.583   7.524
  183   1HB   LEU  23          2HB       LEU  23   2.606   2.932   7.408
  184   2HB   LEU  23          3HB       LEU  23   0.990   3.510   7.807
  185    HG   LEU  23           HG       LEU  23   1.447   5.265   5.903
  186   1HD1  LEU  23          1HD1      LEU  23   3.862   4.485   5.698
  187   2HD1  LEU  23          2HD1      LEU  23   3.238   2.989   5.006
  188   3HD1  LEU  23          3HD1      LEU  23   2.961   4.523   4.183
  189   1HD2  LEU  23          1HD2      LEU  23  -0.324   3.688   5.650
  190   2HD2  LEU  23          2HD2      LEU  23   0.675   3.490   4.210
  191   3HD2  LEU  23          3HD2      LEU  23   0.798   2.332   5.536
  192    H    LEU  24           H        LEU  24   1.021   4.177  10.049
  193    HA   LEU  24           HA       LEU  24  -1.167   5.825   9.905
  194   1HB   LEU  24          2HB       LEU  24  -0.591   3.854  11.525
  195   2HB   LEU  24          3HB       LEU  24  -0.001   5.131  12.587
  196    HG   LEU  24           HG       LEU  24  -2.772   5.164  11.358
  197   1HD1  LEU  24          1HD1      LEU  24  -2.369   3.162  12.840
  198   2HD1  LEU  24          2HD1      LEU  24  -2.004   4.280  14.155
  199   3HD1  LEU  24          3HD1      LEU  24  -3.614   4.260  13.435
  200   1HD2  LEU  24          1HD2      LEU  24  -1.218   6.860  13.250
  201   2HD2  LEU  24          2HD2      LEU  24  -2.492   7.313  12.118
  202   3HD2  LEU  24          3HD2      LEU  24  -2.908   6.579  13.666
  203    H    ARG  25           H        ARG  25   1.863   6.450  11.644
  204    HA   ARG  25           HA       ARG  25   1.175   8.857  12.852
  205   1HB   ARG  25          2HB       ARG  25   3.812   7.790  11.853
  206   2HB   ARG  25          3HB       ARG  25   3.686   9.345  12.676
  207   1HG   ARG  25          2HG       ARG  25   2.382   6.962  13.939
  208   2HG   ARG  25          3HG       ARG  25   4.136   7.110  14.046
  209   1HD   ARG  25          2HD       ARG  25   2.364   9.445  14.735
  210   2HD   ARG  25          3HD       ARG  25   2.676   8.181  15.921
  211    HE   ARG  25           HE       ARG  25   4.917   9.602  14.612
  212   1HH1  ARG  25          1HH1      ARG  25   4.678   7.471  17.011
  213   2HH1  ARG  25          2HH1      ARG  25   5.204   8.487  18.311
  214   1HH2  ARG  25          1HH2      ARG  25   4.943  11.418  16.477
  215   2HH2  ARG  25          2HH2      ARG  25   5.355  10.720  18.009
  216    H    ASP  26           H        ASP  26   3.048   8.541   9.802
  217    HA   ASP  26           HA       ASP  26   2.209  11.281   9.121
  218   1HB   ASP  26          2HB       ASP  26   4.427   9.574   7.987
  219   2HB   ASP  26          3HB       ASP  26   4.072  11.235   7.514
  220    H    GLY  27           H        GLY  27   2.612   8.133   7.456
  221   1HA   GLY  27          1HA       GLY  27   1.175   9.065   5.129
  222   2HA   GLY  27          2HA       GLY  27   1.837   7.460   5.372
  223    H    GLY  28           H        GLY  28  -0.085   8.243   8.023
  224   1HA   GLY  28          1HA       GLY  28  -2.215   7.623   8.667
  225   2HA   GLY  28          2HA       GLY  28  -2.686   7.742   6.973
  226    H    ASP  29           H        ASP  29  -4.004   5.817   7.379
  227    HA   ASP  29           HA       ASP  29  -2.387   3.334   7.334
  228   1HB   ASP  29          2HB       ASP  29  -4.875   4.043   8.823
  229   2HB   ASP  29          3HB       ASP  29  -4.710   2.392   8.234
  230    H    CYS  30           H        CYS  30  -2.960   1.727   5.920
  231    HA   CYS  30           HA       CYS  30  -4.996   2.430   3.887
  232   1HB   CYS  30          2HB       CYS  30  -2.704   0.578   3.316
  233   2HB   CYS  30          3HB       CYS  30  -3.638   1.573   2.200
  234    HG   CYS  30           HG       CYS  30  -1.949   3.350   2.502
  235    H    THR  31           H        THR  31  -5.804   0.382   2.710
  236    HA   THR  31           HA       THR  31  -5.835  -2.009   4.386
  237    HB   THR  31           HB       THR  31  -8.361  -0.464   3.760
  238    HG1  THR  31           HG1      THR  31  -7.934  -1.110   6.327
  239   1HG2  THR  31          1HG2      THR  31  -8.891  -2.783   3.600
  240   2HG2  THR  31          2HG2      THR  31  -7.865  -3.188   4.976
  241   3HG2  THR  31          3HG2      THR  31  -9.368  -2.300   5.228
  242    H    LEU  32           H        LEU  32  -5.680  -3.722   3.112
  243    HA   LEU  32           HA       LEU  32  -6.029  -3.541   0.261
  244   1HB   LEU  32          2HB       LEU  32  -4.304  -5.004   1.112
  245   2HB   LEU  32          3HB       LEU  32  -5.465  -5.871   2.114
  246    HG   LEU  32           HG       LEU  32  -6.620  -6.694   0.104
  247   1HD1  LEU  32          1HD1      LEU  32  -4.769  -4.760  -1.208
  248   2HD1  LEU  32          2HD1      LEU  32  -5.092  -6.266  -2.069
  249   3HD1  LEU  32          3HD1      LEU  32  -6.425  -5.199  -1.630
  250   1HD2  LEU  32          1HD2      LEU  32  -5.027  -8.322  -0.480
  251   2HD2  LEU  32          2HD2      LEU  32  -3.685  -7.182  -0.378
  252   3HD2  LEU  32          3HD2      LEU  32  -4.458  -7.769   1.095
  253    H    VAL  33           H        VAL  33  -8.026  -3.410  -0.560
  254    HA   VAL  33           HA       VAL  33 -10.278  -4.650   0.793
  255    HB   VAL  33           HB       VAL  33 -10.481  -2.393  -0.176
  256   1HG1  VAL  33          1HG1      VAL  33 -10.273  -1.954  -2.474
  257   2HG1  VAL  33          2HG1      VAL  33  -8.947  -3.077  -2.173
  258   3HG1  VAL  33          3HG1      VAL  33 -10.441  -3.654  -2.912
  259   1HG2  VAL  33          1HG2      VAL  33 -12.647  -2.720  -1.121
  260   2HG2  VAL  33          2HG2      VAL  33 -12.221  -4.316  -1.737
  261   3HG2  VAL  33          3HG2      VAL  33 -12.422  -4.064  -0.003
  262    H    ASP  34           H        ASP  34  -8.313  -5.233  -2.074
  263    HA   ASP  34           HA       ASP  34  -9.338  -7.911  -2.272
  264   1HB   ASP  34          2HB       ASP  34 -11.017  -6.237  -3.452
  265   2HB   ASP  34          3HB       ASP  34  -9.836  -6.328  -4.757
  266    H    VAL  35           H        VAL  35  -7.971  -9.240  -3.329
  267    HA   VAL  35           HA       VAL  35  -5.582  -8.017  -4.563
  268    HB   VAL  35           HB       VAL  35  -5.080  -9.378  -2.592
  269   1HG1  VAL  35          1HG1      VAL  35  -6.353 -11.683  -4.094
  270   2HG1  VAL  35          2HG1      VAL  35  -5.660 -11.728  -2.474
  271   3HG1  VAL  35          3HG1      VAL  35  -7.139 -10.815  -2.775
  272   1HG2  VAL  35          1HG2      VAL  35  -3.309 -10.541  -3.541
  273   2HG2  VAL  35          2HG2      VAL  35  -4.288 -11.161  -4.870
  274   3HG2  VAL  35          3HG2      VAL  35  -3.740  -9.484  -4.883
  275    H    GLU  36           H        GLU  36  -5.014  -8.545  -6.624
  276    HA   GLU  36           HA       GLU  36  -6.293 -10.765  -8.003
  277   1HB   GLU  36          2HB       GLU  36  -7.928  -8.871  -8.157
  278   2HB   GLU  36          3HB       GLU  36  -6.696  -7.935  -9.001
  279   1HG   GLU  36          2HG       GLU  36  -8.116  -8.951 -10.671
  280   2HG   GLU  36          3HG       GLU  36  -6.566  -9.788 -10.708
  281    H    ASP  37           H        ASP  37  -4.114 -11.468  -8.139
  282    HA   ASP  37           HA       ASP  37  -2.073 -11.740  -9.142
  283   1HB   ASP  37          2HB       ASP  37  -3.515 -10.210 -11.319
  284   2HB   ASP  37          3HB       ASP  37  -1.926 -10.942 -11.527
  285    H    GLY  38           H        GLY  38  -2.616  -8.636 -10.701
  286   1HA   GLY  38          1HA       GLY  38  -0.515  -7.431  -8.991
  287   2HA   GLY  38          2HA       GLY  38  -0.543  -7.206 -10.737
  288    H    ILE  39           H        ILE  39  -3.633  -7.229 -10.346
  289    HA   ILE  39           HA       ILE  39  -3.878  -4.341 -10.095
  290    HB   ILE  39           HB       ILE  39  -6.049  -6.371 -10.674
  291   1HG1  ILE  39          2HG1      ILE  39  -5.430  -5.197 -13.076
  292   2HG1  ILE  39          3HG1      ILE  39  -3.833  -5.326 -12.341
  293   1HG2  ILE  39          1HG2      ILE  39  -6.698  -4.024  -9.987
  294   2HG2  ILE  39          2HG2      ILE  39  -5.834  -3.435 -11.406
  295   3HG2  ILE  39          3HG2      ILE  39  -7.240  -4.481 -11.599
  296   1HD1  ILE  39          1HD1      ILE  39  -5.786  -7.640 -12.506
  297   2HD1  ILE  39          2HD1      ILE  39  -4.524  -7.341 -13.700
  298   3HD1  ILE  39          3HD1      ILE  39  -4.088  -7.706 -12.031
  299    H    VAL  40           H        VAL  40  -3.142  -4.871  -7.733
  300    HA   VAL  40           HA       VAL  40  -5.249  -5.784  -5.971
  301    HB   VAL  40           HB       VAL  40  -2.399  -5.018  -5.717
  302   1HG1  VAL  40          1HG1      VAL  40  -2.746  -4.859  -3.170
  303   2HG1  VAL  40          2HG1      VAL  40  -3.155  -3.431  -4.117
  304   3HG1  VAL  40          3HG1      VAL  40  -4.433  -4.502  -3.541
  305   1HG2  VAL  40          1HG2      VAL  40  -3.645  -7.352  -5.677
  306   2HG2  VAL  40          2HG2      VAL  40  -2.263  -7.066  -4.620
  307   3HG2  VAL  40          3HG2      VAL  40  -3.901  -6.949  -3.979
  308    H    LYS  41           H        LYS  41  -6.847  -4.583  -5.250
  309    HA   LYS  41           HA       LYS  41  -6.812  -1.690  -5.575
  310   1HB   LYS  41          2HB       LYS  41  -8.880  -3.730  -4.806
  311   2HB   LYS  41          3HB       LYS  41  -9.155  -2.023  -4.461
  312   1HG   LYS  41          2HG       LYS  41  -9.225  -1.435  -6.712
  313   2HG   LYS  41          3HG       LYS  41  -8.252  -2.820  -7.211
  314   1HD   LYS  41          2HD       LYS  41 -10.070  -4.318  -7.018
  315   2HD   LYS  41          3HD       LYS  41 -11.002  -3.197  -6.025
  316   1HE   LYS  41          2HE       LYS  41 -10.231  -2.482  -8.853
  317   2HE   LYS  41          3HE       LYS  41 -11.670  -3.446  -8.521
  318   1HZ   LYS  41          1HZ       LYS  41 -12.512  -1.335  -8.448
  319   1HZ   LYS  41          1HZ       LYS  41 -11.092  -0.659  -7.806
  320   3HZ   LYS  41          3HZ       LYS  41 -12.131  -1.563  -6.811
  321    H    LEU  42           H        LEU  42  -7.103  -0.219  -3.819
  322    HA   LEU  42           HA       LEU  42  -6.642  -1.299  -1.119
  323   1HB   LEU  42          2HB       LEU  42  -4.822   0.465  -2.683
  324   2HB   LEU  42          3HB       LEU  42  -5.026   0.830  -0.971
  325    HG   LEU  42           HG       LEU  42  -4.538  -2.018  -1.757
  326   1HD1  LEU  42          1HD1      LEU  42  -2.157  -1.704  -1.874
  327   2HD1  LEU  42          2HD1      LEU  42  -2.876  -0.563  -3.008
  328   3HD1  LEU  42          3HD1      LEU  42  -2.300  -0.001  -1.439
  329   1HD2  LEU  42          1HD2      LEU  42  -4.983  -0.953   0.616
  330   2HD2  LEU  42          2HD2      LEU  42  -3.752  -2.201   0.436
  331   3HD2  LEU  42          3HD2      LEU  42  -3.282  -0.502   0.516
  332    H    GLN  43           H        GLN  43  -6.765   0.516   0.526
  333    HA   GLN  43           HA       GLN  43  -8.502   2.737  -0.250
  334   1HB   GLN  43          2HB       GLN  43  -9.854   0.614   0.487
  335   2HB   GLN  43          3HB       GLN  43  -9.334   1.073   2.108
  336   1HG   GLN  43          2HG       GLN  43 -10.354   3.252   1.896
  337   2HG   GLN  43          3HG       GLN  43 -10.702   2.982   0.191
  338   1HE2  GLN  43          2HE2      GLN  43 -12.572   3.469   2.556
  339   2HE2  GLN  43          1HE2      GLN  43 -13.665   2.172   2.505
  340    H    LEU  44           H        LEU  44  -7.685   4.509   0.664
  341    HA   LEU  44           HA       LEU  44  -5.753   4.281   2.819
  342   1HB   LEU  44          2HB       LEU  44  -6.364   6.190   0.746
  343   2HB   LEU  44          3HB       LEU  44  -6.294   7.003   2.308
  344    HG   LEU  44           HG       LEU  44  -4.161   5.069   1.370
  345   1HD1  LEU  44          1HD1      LEU  44  -4.571   7.975   0.802
  346   2HD1  LEU  44          2HD1      LEU  44  -2.930   7.436   1.161
  347   3HD1  LEU  44          3HD1      LEU  44  -3.814   6.732  -0.194
  348   1HD2  LEU  44          1HD2      LEU  44  -4.002   5.326   3.708
  349   2HD2  LEU  44          2HD2      LEU  44  -2.879   6.541   3.101
  350   3HD2  LEU  44          3HD2      LEU  44  -4.485   7.021   3.649
  351    H    HIS  45           H        HIS  45  -5.863   5.703   4.708
  352    HA   HIS  45           HA       HIS  45  -8.475   6.626   5.583
  353   1HB   HIS  45          2HB       HIS  45  -7.078   4.443   7.156
  354   2HB   HIS  45          3HB       HIS  45  -8.621   5.203   7.535
  355    HD1  HIS  45           HD1      HIS  45 -10.661   4.610   5.983
  356    HD2  HIS  45           HD2      HIS  45  -7.205   2.415   5.194
  357    HE1  HIS  45           HE1      HIS  45 -11.360   2.684   4.495
  358    H    GLY  46           H        GLY  46  -7.128   8.566   5.490
  359   1HA   GLY  46          1HA       GLY  46  -5.763   9.010   8.051
  360   2HA   GLY  46          2HA       GLY  46  -4.874   9.365   6.574
  361    H    ALA  47           H        ALA  47  -8.254   9.872   7.558
  362    HA   ALA  47           HA       ALA  47  -9.555  11.752   7.682
  363   1HB   ALA  47          1HB       ALA  47  -7.317  12.556   8.880
  364   2HB   ALA  47          2HB       ALA  47  -7.213  13.592   7.458
  365   3HB   ALA  47          3HB       ALA  47  -8.622  13.683   8.513
  366    H    CYS  48           H        CYS  48 -10.605  11.629   5.769
  367    HA   CYS  48           HA       CYS  48  -9.616  11.977   3.203
  368   1HB   CYS  48          2HB       CYS  48 -12.363  12.820   4.156
  369   2HB   CYS  48          3HB       CYS  48 -11.901  12.366   2.516
  370    HG   CYS  48           HG       CYS  48 -12.514  10.419   4.786
  371    H    GLY  49           H        GLY  49 -10.635  14.395   5.551
  372   1HA   GLY  49          1HA       GLY  49 -10.428  16.687   5.601
  373   2HA   GLY  49          2HA       GLY  49  -9.066  16.467   4.507
  374    H    THR  50           H        THR  50  -9.259  17.555   2.668
  375    HA   THR  50           HA       THR  50 -11.759  17.528   1.181
  376    HB   THR  50           HB       THR  50 -11.840  19.511   2.789
  377    HG1  THR  50           HG1      THR  50 -12.589  20.870   1.106
  378   1HG2  THR  50          1HG2      THR  50  -9.855  20.728   0.864
  379   2HG2  THR  50          2HG2      THR  50 -10.456  21.399   2.379
  380   3HG2  THR  50          3HG2      THR  50  -9.356  20.022   2.402
  381    H    CYS  51           H        CYS  51  -8.395  18.556   1.461
  382    HA   CYS  51           HA       CYS  51  -7.947  17.836  -1.327
  383   1HB   CYS  51          2HB       CYS  51  -6.907  19.979  -1.902
  384   2HB   CYS  51          3HB       CYS  51  -8.596  20.216  -1.452
  385    HG   CYS  51           HG       CYS  51  -6.810  20.563   0.968
  386    HA   PRO  52           HA       PRO  52  -4.653  17.048   2.128
  387   1HB   PRO  52          2HB       PRO  52  -4.555  14.365   1.088
  388   2HB   PRO  52          3HB       PRO  52  -5.060  14.897   2.698
  389   1HG   PRO  52          2HG       PRO  52  -6.679  14.131   0.398
  390   2HG   PRO  52          3HG       PRO  52  -7.131  14.261   2.103
  391   1HD   PRO  52          2HD       PRO  52  -7.992  16.010   0.167
  392   2HD   PRO  52          3HD       PRO  52  -7.833  16.444   1.884
  393    H    SER  53           H        SER  53  -2.847  17.958   1.303
  394    HA   SER  53           HA       SER  53  -1.982  17.353  -1.421
  395   1HB   SER  53          2HB       SER  53  -1.922  19.686  -0.621
  396   2HB   SER  53          3HB       SER  53  -0.802  19.220   0.654
  397    HG   SER  53           HG       SER  53   0.420  18.313  -1.297
  398    H    SER  54           H        SER  54  -1.288  16.419   1.819
  399    HA   SER  54           HA       SER  54   1.401  15.489   1.312
  400   1HB   SER  54          2HB       SER  54   1.368  14.723   3.580
  401   2HB   SER  54          3HB       SER  54   0.544  16.278   3.555
  402    HG   SER  54           HG       SER  54  -0.580  13.678   3.648
  403    H    THR  55           H        THR  55  -1.818  14.029   1.629
  404    HA   THR  55           HA       THR  55  -1.077  11.331   1.563
  405    HB   THR  55           HB       THR  55  -3.568  12.376   0.226
  406    HG1  THR  55           HG1      THR  55  -3.169  13.433   2.264
  407   1HG2  THR  55          1HG2      THR  55  -2.859   9.880   0.379
  408   2HG2  THR  55          2HG2      THR  55  -3.265  10.026   2.088
  409   3HG2  THR  55          3HG2      THR  55  -4.499  10.310   0.861
  410    H    ILE  56           H        ILE  56  -1.736  13.584  -1.105
  411    HA   ILE  56           HA       ILE  56  -1.569  11.743  -3.220
  412    HB   ILE  56           HB       ILE  56  -0.719  14.651  -3.274
  413   1HG1  ILE  56          2HG1      ILE  56  -3.459  13.446  -3.797
  414   2HG1  ILE  56          3HG1      ILE  56  -3.011  14.256  -2.297
  415   1HG2  ILE  56          1HG2      ILE  56  -1.740  12.761  -5.422
  416   2HG2  ILE  56          2HG2      ILE  56  -1.406  14.477  -5.654
  417   3HG2  ILE  56          3HG2      ILE  56  -0.089  13.365  -5.276
  418   1HD1  ILE  56          1HD1      ILE  56  -2.290  16.223  -3.866
  419   2HD1  ILE  56          2HD1      ILE  56  -3.327  15.428  -5.050
  420   3HD1  ILE  56          3HD1      ILE  56  -4.004  15.992  -3.522
  421    H    THR  57           H        THR  57   0.944  13.730  -1.682
  422    HA   THR  57           HA       THR  57   3.088  12.900  -3.337
  423    HB   THR  57           HB       THR  57   3.039  13.978  -0.507
  424    HG1  THR  57           HG1      THR  57   2.828  15.782  -1.521
  425   1HG2  THR  57          1HG2      THR  57   5.335  13.357  -2.373
  426   2HG2  THR  57          2HG2      THR  57   5.478  14.534  -1.067
  427   3HG2  THR  57          3HG2      THR  57   5.124  12.847  -0.697
  428    H    LEU  58           H        LEU  58   1.904  11.735  -0.197
  429    HA   LEU  58           HA       LEU  58   3.865   9.805   0.301
  430   1HB   LEU  58          2HB       LEU  58   1.781  10.676   1.711
  431   2HB   LEU  58          3HB       LEU  58   1.028   9.229   1.048
  432    HG   LEU  58           HG       LEU  58   2.052   8.689   3.194
  433   1HD1  LEU  58          1HD1      LEU  58   3.230   6.765   2.542
  434   2HD1  LEU  58          2HD1      LEU  58   2.253   7.127   1.119
  435   3HD1  LEU  58          3HD1      LEU  58   3.962   7.566   1.152
  436   1HD2  LEU  58          1HD2      LEU  58   4.816   9.212   2.207
  437   2HD2  LEU  58          2HD2      LEU  58   3.860  10.619   2.673
  438   3HD2  LEU  58          3HD2      LEU  58   4.162   9.333   3.840
  439    H    LYS  59           H        LYS  59   0.646   9.350  -1.165
  440    HA   LYS  59           HA       LYS  59   0.724   6.692  -1.819
  441   1HB   LYS  59          2HB       LYS  59  -1.125   8.418  -2.238
  442   2HB   LYS  59          3HB       LYS  59  -0.295   8.766  -3.755
  443   1HG   LYS  59          2HG       LYS  59  -0.383   6.215  -4.169
  444   2HG   LYS  59          3HG       LYS  59  -1.580   6.178  -2.874
  445   1HD   LYS  59          2HD       LYS  59  -1.749   7.753  -5.460
  446   2HD   LYS  59          3HD       LYS  59  -2.756   6.385  -4.988
  447   1HE   LYS  59          2HE       LYS  59  -4.150   8.150  -4.407
  448   2HE   LYS  59          3HE       LYS  59  -3.288   7.914  -2.888
  449   1HZ   LYS  59          1HZ       LYS  59  -2.165   9.830  -3.124
  450   1HZ   LYS  59          1HZ       LYS  59  -3.453  10.254  -4.150
  451   3HZ   LYS  59          3HZ       LYS  59  -1.999   9.669  -4.805
  452    H    ALA  60           H        ALA  60   1.823   9.338  -3.943
  453    HA   ALA  60           HA       ALA  60   2.873   7.729  -5.989
  454   1HB   ALA  60          1HB       ALA  60   3.890   9.694  -6.816
  455   2HB   ALA  60          2HB       ALA  60   2.441  10.259  -5.984
  456   3HB   ALA  60          3HB       ALA  60   4.018  10.407  -5.208
  457    H    GLY  61           H        GLY  61   4.167   8.639  -2.882
  458   1HA   GLY  61          1HA       GLY  61   6.914   8.117  -3.378
  459   2HA   GLY  61          2HA       GLY  61   6.133   8.132  -1.800
  460    H    ILE  62           H        ILE  62   4.365   6.137  -1.866
  461    HA   ILE  62           HA       ILE  62   5.932   3.814  -1.534
  462    HB   ILE  62           HB       ILE  62   3.089   3.295  -2.068
  463   1HG1  ILE  62          2HG1      ILE  62   3.905   5.333   0.032
  464   2HG1  ILE  62          3HG1      ILE  62   2.783   5.582  -1.305
  465   1HG2  ILE  62          1HG2      ILE  62   4.854   1.890  -0.821
  466   2HG2  ILE  62          2HG2      ILE  62   4.630   3.018   0.516
  467   3HG2  ILE  62          3HG2      ILE  62   3.273   2.049  -0.059
  468   1HD1  ILE  62          1HD1      ILE  62   2.378   4.112   1.256
  469   2HD1  ILE  62          2HD1      ILE  62   1.260   5.138   0.359
  470   3HD1  ILE  62          3HD1      ILE  62   1.565   3.487  -0.180
  471    H    GLU  63           H        GLU  63   3.553   4.643  -4.065
  472    HA   GLU  63           HA       GLU  63   3.660   2.450  -5.678
  473   1HB   GLU  63          2HB       GLU  63   2.341   4.588  -6.048
  474   2HB   GLU  63          3HB       GLU  63   3.795   5.249  -6.800
  475   1HG   GLU  63          2HG       GLU  63   3.757   3.053  -8.220
  476   2HG   GLU  63          3HG       GLU  63   2.073   2.956  -7.720
  477    H    ARG  64           H        ARG  64   5.831   5.262  -6.089
  478    HA   ARG  64           HA       ARG  64   7.483   4.186  -8.046
  479   1HB   ARG  64          2HB       ARG  64   8.027   6.184  -5.853
  480   2HB   ARG  64          3HB       ARG  64   9.236   5.766  -7.067
  481   1HG   ARG  64          2HG       ARG  64   7.708   6.441  -8.863
  482   2HG   ARG  64          3HG       ARG  64   6.448   6.797  -7.681
  483   1HD   ARG  64          2HD       ARG  64   7.837   8.787  -8.543
  484   2HD   ARG  64          3HD       ARG  64   7.636   8.645  -6.800
  485    HE   ARG  64           HE       ARG  64  10.046   7.482  -8.022
  486   1HH1  ARG  64          1HH2      ARG  64   9.938   7.819  -5.092
  487   2HH1  ARG  64          2HH2      ARG  64  10.781   9.310  -4.829
  488   1HH2  ARG  64          1HH1      ARG  64  10.527  10.338  -8.133
  489   2HH2  ARG  64          2HH1      ARG  64  11.114  10.739  -6.552
  490    H    ALA  65           H        ALA  65   7.958   4.099  -4.509
  491    HA   ALA  65           HA       ALA  65  10.347   2.633  -4.496
  492   1HB   ALA  65          1HB       ALA  65   8.289   2.225  -2.354
  493   2HB   ALA  65          2HB       ALA  65  10.037   2.413  -2.204
  494   3HB   ALA  65          3HB       ALA  65   9.025   3.815  -2.556
  495    H    LEU  66           H        LEU  66   6.972   1.533  -4.383
  496    HA   LEU  66           HA       LEU  66   7.436  -1.215  -4.093
  497   1HB   LEU  66          2HB       LEU  66   5.192   0.313  -5.415
  498   2HB   LEU  66          3HB       LEU  66   5.172  -1.440  -5.223
  499    HG   LEU  66           HG       LEU  66   5.714   0.341  -2.856
  500   1HD1  LEU  66          1HD1      LEU  66   3.094  -0.204  -4.215
  501   2HD1  LEU  66          2HD1      LEU  66   3.143  -0.087  -2.456
  502   3HD1  LEU  66          3HD1      LEU  66   3.666   1.275  -3.444
  503   1HD2  LEU  66          1HD2      LEU  66   4.631  -2.455  -3.295
  504   2HD2  LEU  66          2HD2      LEU  66   6.119  -1.990  -2.471
  505   3HD2  LEU  66          3HD2      LEU  66   4.558  -1.638  -1.733
  506    H    HIS  67           H        HIS  67   6.845   0.640  -7.085
  507    HA   HIS  67           HA       HIS  67   7.147  -1.434  -8.916
  508   1HB   HIS  67          2HB       HIS  67   7.834   1.501  -9.187
  509   2HB   HIS  67          3HB       HIS  67   7.785   0.370 -10.539
  510    HD1  HIS  67           HD1      HIS  67   5.747   1.709 -11.550
  511    HD2  HIS  67           HD2      HIS  67   4.990  -0.037  -7.842
  512    HE1  HIS  67           HE1      HIS  67   3.238   1.783 -11.222
  513    H    GLU  68           H        GLU  68   9.607   0.643  -7.445
  514    HA   GLU  68           HA       GLU  68  11.811  -0.281  -8.960
  515   1HB   GLU  68          2HB       GLU  68  11.537   1.754  -7.291
  516   2HB   GLU  68          3HB       GLU  68  12.149   0.592  -6.116
  517   1HG   GLU  68          2HG       GLU  68  13.500   1.266  -8.746
  518   2HG   GLU  68          3HG       GLU  68  13.972   1.918  -7.179
  519    H    GLU  69           H        GLU  69  10.596  -1.227  -5.752
  520    HA   GLU  69           HA       GLU  69  12.530  -3.365  -5.498
  521   1HB   GLU  69          2HB       GLU  69  10.214  -2.398  -3.827
  522   2HB   GLU  69          3HB       GLU  69  11.093  -3.873  -3.428
  523   1HG   GLU  69          2HG       GLU  69  12.457  -1.206  -3.866
  524   2HG   GLU  69          3HG       GLU  69  11.938  -1.768  -2.279
  525    H    VAL  70           H        VAL  70   9.614  -3.044  -7.124
  526    HA   VAL  70           HA       VAL  70   9.419  -5.919  -7.531
  527    HB   VAL  70           HB       VAL  70   7.117  -4.322  -6.362
  528   1HG1  VAL  70          1HG1      VAL  70   7.242  -6.857  -7.901
  529   2HG1  VAL  70          2HG1      VAL  70   6.260  -6.899  -6.437
  530   3HG1  VAL  70          3HG1      VAL  70   5.906  -5.723  -7.701
  531   1HG2  VAL  70          1HG2      VAL  70   8.579  -5.032  -4.604
  532   2HG2  VAL  70          2HG2      VAL  70   7.258  -6.200  -4.634
  533   3HG2  VAL  70          3HG2      VAL  70   8.816  -6.615  -5.348
  534    HA   PRO  71           HA       PRO  71   8.364  -3.237 -11.170
  535   1HB   PRO  71          2HB       PRO  71  10.475  -4.527 -12.656
  536   2HB   PRO  71          3HB       PRO  71  10.371  -2.836 -12.142
  537   1HG   PRO  71          2HG       PRO  71  12.174  -4.678 -11.175
  538   2HG   PRO  71          3HG       PRO  71  11.710  -3.179 -10.361
  539   1HD   PRO  71          2HD       PRO  71  10.816  -5.981  -9.812
  540   2HD   PRO  71          3HD       PRO  71  11.059  -4.627  -8.683
  541    H    GLY  72           H        GLY  72   6.722  -3.974 -12.385
  542   1HA   GLY  72          1HA       GLY  72   6.420  -5.731 -14.278
  543   2HA   GLY  72          2HA       GLY  72   6.533  -6.863 -12.935
  544    H    VAL  73           H        VAL  73   5.106  -4.167 -11.680
  545    HA   VAL  73           HA       VAL  73   2.565  -5.370 -11.380
  546    HB   VAL  73           HB       VAL  73   1.900  -3.304 -10.338
  547   1HG1  VAL  73          1HG1      VAL  73   3.740  -4.796  -9.294
  548   2HG1  VAL  73          2HG1      VAL  73   4.848  -3.500  -9.746
  549   3HG1  VAL  73          3HG1      VAL  73   3.522  -3.177  -8.631
  550   1HG2  VAL  73          1HG2      VAL  73   3.567  -1.342 -10.460
  551   2HG2  VAL  73          2HG2      VAL  73   4.249  -2.168 -11.859
  552   3HG2  VAL  73          3HG2      VAL  73   2.570  -1.631 -11.885
  553    H    ILE  74           H        ILE  74   0.559  -4.735 -12.182
  554    HA   ILE  74           HA       ILE  74   0.687  -3.883 -14.981
  555    HB   ILE  74           HB       ILE  74  -1.860  -4.810 -13.763
  556   1HG1  ILE  74          2HG1      ILE  74  -0.169  -6.310 -12.714
  557   2HG1  ILE  74          3HG1      ILE  74  -1.184  -7.169 -13.868
  558   1HG2  ILE  74          1HG2      ILE  74  -1.969  -6.007 -15.932
  559   2HG2  ILE  74          2HG2      ILE  74  -1.680  -4.280 -16.147
  560   3HG2  ILE  74          3HG2      ILE  74  -0.349  -5.423 -16.317
  561   1HD1  ILE  74          1HD1      ILE  74   1.232  -7.738 -14.115
  562   2HD1  ILE  74          2HD1      ILE  74   0.557  -7.016 -15.576
  563   3HD1  ILE  74          3HD1      ILE  74   1.566  -6.051 -14.499
  564    H    GLU  75           H        GLU  75  -1.587  -3.395 -12.265
  565    HA   GLU  75           HA       GLU  75  -1.499  -0.538 -12.517
  566   1HB   GLU  75          2HB       GLU  75  -2.995  -1.501 -14.468
  567   2HB   GLU  75          3HB       GLU  75  -4.195  -1.663 -13.186
  568   1HG   GLU  75          2HG       GLU  75  -3.730   0.762 -12.593
  569   2HG   GLU  75          3HG       GLU  75  -2.782   0.862 -14.076
  570    H    VAL  76           H        VAL  76  -1.411  -0.162 -10.399
  571    HA   VAL  76           HA       VAL  76  -2.989  -1.696  -8.498
  572    HB   VAL  76           HB       VAL  76  -0.669  -1.020  -7.974
  573   1HG1  VAL  76          1HG1      VAL  76  -0.108   1.319  -7.605
  574   2HG1  VAL  76          2HG1      VAL  76  -0.755   1.142  -9.236
  575   3HG1  VAL  76          3HG1      VAL  76  -1.766   1.809  -7.954
  576   1HG2  VAL  76          1HG2      VAL  76  -2.514   0.532  -6.153
  577   2HG2  VAL  76          2HG2      VAL  76  -2.551  -1.231  -6.209
  578   3HG2  VAL  76          3HG2      VAL  76  -1.076  -0.394  -5.727
  579    H    GLU  77           H        GLU  77  -4.258  -0.466  -6.807
  580    HA   GLU  77           HA       GLU  77  -5.503   2.000  -7.812
  581   1HB   GLU  77          2HB       GLU  77  -6.873  -0.636  -7.447
  582   2HB   GLU  77          3HB       GLU  77  -7.754   0.844  -7.069
  583   1HG   GLU  77          2HG       GLU  77  -7.557   1.664  -9.281
  584   2HG   GLU  77          3HG       GLU  77  -6.276   0.521  -9.681
  585    H    GLN  78           H        GLN  78  -5.772   3.416  -6.264
  586    HA   GLN  78           HA       GLN  78  -6.060   2.501  -3.475
  587   1HB   GLN  78          2HB       GLN  78  -3.693   3.456  -4.326
  588   2HB   GLN  78          3HB       GLN  78  -4.493   4.986  -3.984
  589   1HG   GLN  78          2HG       GLN  78  -3.949   2.703  -2.079
  590   2HG   GLN  78          3HG       GLN  78  -3.412   4.377  -1.953
  591   1HE2  GLN  78          2HE2      GLN  78  -5.371   6.022  -1.842
  592   2HE2  GLN  78          1HE2      GLN  78  -6.680   5.539  -0.876
  593    H    VAL  79           H        VAL  79  -8.291   2.948  -3.656
  594    HA   VAL  79           HA       VAL  79  -9.153   5.627  -4.396
  595    HB   VAL  79           HB       VAL  79 -11.417   4.794  -4.001
  596   1HG1  VAL  79          1HG1      VAL  79 -10.634   4.260  -6.166
  597   2HG1  VAL  79          2HG1      VAL  79  -9.522   3.034  -5.557
  598   3HG1  VAL  79          3HG1      VAL  79 -11.260   2.731  -5.551
  599   1HG2  VAL  79          1HG2      VAL  79 -10.089   2.214  -3.104
  600   2HG2  VAL  79          2HG2      VAL  79 -10.822   3.383  -2.006
  601   3HG2  VAL  79          3HG2      VAL  79 -11.820   2.535  -3.186
  602    H    PHE  80           H        PHE  80 -10.748   6.743  -2.927
  603    HA   PHE  80           HA       PHE  80  -9.534   7.006  -0.274
  604   1HB   PHE  80          2HB       PHE  80 -11.561   8.719  -1.734
  605   2HB   PHE  80          3HB       PHE  80 -10.901   9.077  -0.139
  606    HD1  PHE  80           HD1      PHE  80 -10.001   8.591  -3.721
  607    HD2  PHE  80           HD2      PHE  80  -8.732  10.045   0.119
  608    HE1  PHE  80           HE1      PHE  80  -8.026   9.654  -4.776
  609    HE2  PHE  80           HE2      PHE  80  -6.757  11.106  -0.937
  610    HZ   PHE  80           HZ       PHE  80  -6.403  10.912  -3.384
  611    H    LEU  81           H        LEU  81 -11.324   7.799   1.397
  612    HA   LEU  81           HA       LEU  81 -13.087   5.504   1.762
  613   1HB   LEU  81          2HB       LEU  81 -11.742   6.236   3.660
  614   2HB   LEU  81          3HB       LEU  81 -12.406   7.862   3.542
  615    HG   LEU  81           HG       LEU  81 -14.631   7.045   4.126
  616   1HD1  LEU  81          1HD1      LEU  81 -14.751   4.891   3.130
  617   2HD1  LEU  81          2HD1      LEU  81 -13.283   4.346   3.940
  618   3HD1  LEU  81          3HD1      LEU  81 -14.767   4.573   4.864
  619   1HD2  LEU  81          1HD2      LEU  81 -14.199   6.375   6.422
  620   2HD2  LEU  81          2HD2      LEU  81 -12.579   5.819   5.996
  621   3HD2  LEU  81          3HD2      LEU  81 -12.965   7.540   5.942
  622    H    GLU  82           H        GLU  82 -13.250   8.560   0.389
  623    HA   GLU  82           HA       GLU  82 -16.096   8.953   0.997
  624   1HB   GLU  82          2HB       GLU  82 -13.974  10.667  -0.286
  625   2HB   GLU  82          3HB       GLU  82 -15.687  11.073  -0.417
  626   1HG   GLU  82          2HG       GLU  82 -15.897  11.112   2.022
  627   2HG   GLU  82          3HG       GLU  82 -14.218  10.613   2.199
  628    H    HIS  83           H        HIS  83 -14.123   7.458  -1.274
  629    HA   HIS  83           HA       HIS  83 -16.101   7.721  -3.445
  630   1HB   HIS  83          2HB       HIS  83 -13.673   8.188  -3.928
  631   2HB   HIS  83          3HB       HIS  83 -13.335   6.496  -3.568
  632    HD1  HIS  83           HD1      HIS  83 -16.045   8.204  -5.663
  633    HD2  HIS  83           HD2      HIS  83 -13.214   5.159  -5.975
  634    HE1  HIS  83           HE1      HIS  83 -16.325   7.198  -7.971
  635    H    HIS  84           H        HIS  84 -17.567   6.315  -2.184
  636    HA   HIS  84           HA       HIS  84 -16.984   3.666  -1.459
  637   1HB   HIS  84          2HB       HIS  84 -19.618   4.824  -2.412
  638   2HB   HIS  84          3HB       HIS  84 -19.421   3.296  -1.558
  639    HD1  HIS  84           HD1      HIS  84 -17.078   5.740  -0.240
  640    HD2  HIS  84           HD2      HIS  84 -21.092   4.829   0.428
  641    HE1  HIS  84           HE1      HIS  84 -17.698   6.800   1.976
  642    H    HIS  85           H        HIS  85 -17.594   1.668  -2.527
  643    HA   HIS  85           HA       HIS  85 -17.557   1.890  -5.480
  644   1HB   HIS  85          2HB       HIS  85 -16.360  -0.372  -5.377
  645   2HB   HIS  85          3HB       HIS  85 -15.423   1.049  -4.921
  646    HD1  HIS  85           HD1      HIS  85 -17.473  -1.706  -3.258
  647    HD2  HIS  85           HD2      HIS  85 -14.333   0.893  -2.380
  648    HE1  HIS  85           HE1      HIS  85 -16.632  -2.349  -0.957
  649    H    HIS  86           H        HIS  86 -18.951   0.407  -2.667
  650    HA   HIS  86           HA       HIS  86 -20.693  -1.066  -2.384
  651   1HB   HIS  86          2HB       HIS  86 -21.951   0.737  -3.427
  652   2HB   HIS  86          3HB       HIS  86 -21.487   0.178  -5.033
  653    HD1  HIS  86           HD1      HIS  86 -23.814  -0.492  -5.858
  654    HD2  HIS  86           HD2      HIS  86 -22.804  -2.297  -2.239
  655    HE1  HIS  86           HE1      HIS  86 -25.581  -2.251  -5.417
  656    H    HIS  87           H        HIS  87 -21.012  -1.410  -5.845
  657    HA   HIS  87           HA       HIS  87 -20.906  -3.259  -7.201
  658   1HB   HIS  87          2HB       HIS  87 -18.343  -3.613  -5.624
  659   2HB   HIS  87          3HB       HIS  87 -18.739  -4.493  -7.099
  660    HD1  HIS  87           HD1      HIS  87 -20.178  -1.839  -8.360
  661    HD2  HIS  87           HD2      HIS  87 -16.257  -2.179  -6.983
  662    HE1  HIS  87           HE1      HIS  87 -18.852  -0.015  -9.513
  663    H    HIS  88           H        HIS  88 -19.128  -5.480  -5.511
  664    HA   HIS  88           HA       HIS  88 -21.278  -7.283  -5.201
  665   1HB   HIS  88          2HB       HIS  88 -19.652  -8.711  -4.014
  666   2HB   HIS  88          3HB       HIS  88 -18.988  -8.069  -5.512
  667    HD1  HIS  88           HD1      HIS  88 -18.438  -5.153  -4.189
  668    HD2  HIS  88           HD2      HIS  88 -17.110  -8.836  -2.762
  669    HE1  HIS  88           HE1      HIS  88 -16.419  -4.674  -2.739
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1   4.876 -21.401  -2.335
    2   2H    MET   1          2HT       MET   1   4.618 -19.810  -1.802
    3   3H    MET   1          3HT       MET   1   3.404 -20.981  -1.604
    4    HA   MET   1           HA       MET   1   6.041 -21.404  -0.382
    5   1HB   MET   1          2HB       MET   1   4.792 -20.342   1.709
    6   2HB   MET   1          3HB       MET   1   5.699 -19.327   0.591
    7   1HG   MET   1          2HG       MET   1   2.810 -19.867   0.008
    8   2HG   MET   1          3HG       MET   1   3.213 -18.702   1.267
    9   1HE   MET   1          1HE       MET   1   3.920 -15.594  -0.436
   10   2HE   MET   1          2HE       MET   1   4.693 -16.503   0.860
   11   3HE   MET   1          3HE       MET   1   2.936 -16.488   0.731
   12    HA   PRO   2           HA       PRO   2   4.370 -25.178   1.088
   13   1HB   PRO   2          2HB       PRO   2   4.646 -24.628   3.901
   14   2HB   PRO   2          3HB       PRO   2   5.692 -25.615   2.870
   15   1HG   PRO   2          2HG       PRO   2   6.062 -22.882   3.818
   16   2HG   PRO   2          3HG       PRO   2   7.247 -24.023   3.169
   17   1HD   PRO   2          2HD       PRO   2   6.400 -21.798   1.815
   18   2HD   PRO   2          3HD       PRO   2   6.986 -23.268   1.005
   19    H    THR   3           H        THR   3   2.443 -26.082   1.882
   20    HA   THR   3           HA       THR   3   0.228 -26.137   2.494
   21    HB   THR   3           HB       THR   3   0.814 -23.694   4.180
   22    HG1  THR   3           HG1      THR   3   2.375 -25.435   4.410
   23   1HG2  THR   3          1HG2      THR   3  -0.781 -25.143   5.699
   24   2HG2  THR   3          2HG2      THR   3  -1.457 -24.153   4.408
   25   3HG2  THR   3          3HG2      THR   3  -1.237 -25.886   4.166
   26    H    GLU   4           H        GLU   4  -1.816 -24.634   2.623
   27    HA   GLU   4           HA       GLU   4  -1.579 -22.596   0.494
   28   1HB   GLU   4          2HB       GLU   4  -2.815 -24.888   0.035
   29   2HB   GLU   4          3HB       GLU   4  -4.133 -24.097   0.902
   30   1HG   GLU   4          2HG       GLU   4  -4.551 -23.447  -1.305
   31   2HG   GLU   4          3HG       GLU   4  -3.638 -22.077  -0.684
   32    H    ASN   5           H        ASN   5  -1.646 -22.528   3.550
   33    HA   ASN   5           HA       ASN   5  -4.006 -20.787   3.890
   34   1HB   ASN   5          2HB       ASN   5  -2.871 -22.808   5.546
   35   2HB   ASN   5          3HB       ASN   5  -2.663 -21.263   6.368
   36   1HD2  ASN   5          2HD2      ASN   5  -4.874 -23.772   5.932
   37   2HD2  ASN   5          1HD2      ASN   5  -6.290 -22.937   6.358
   38    HA   PRO   6           HA       PRO   6  -0.299 -18.151   5.402
   39   1HB   PRO   6          2HB       PRO   6   2.197 -19.366   4.615
   40   2HB   PRO   6          3HB       PRO   6   1.594 -19.074   6.254
   41   1HG   PRO   6          2HG       PRO   6   1.938 -21.550   5.086
   42   2HG   PRO   6          3HG       PRO   6   0.925 -21.208   6.498
   43   1HD   PRO   6          2HD       PRO   6   0.114 -21.651   3.659
   44   2HD   PRO   6          3HD       PRO   6  -0.754 -22.038   5.161
   45    H    THR   7           H        THR   7  -1.592 -18.212   2.952
   46    HA   THR   7           HA       THR   7   0.137 -17.950   0.705
   47    HB   THR   7           HB       THR   7  -1.844 -17.093  -0.442
   48    HG1  THR   7           HG1      THR   7  -3.081 -17.121   2.104
   49   1HG2  THR   7          1HG2      THR   7  -2.913 -19.174   1.441
   50   2HG2  THR   7          2HG2      THR   7  -3.105 -19.053  -0.307
   51   3HG2  THR   7          3HG2      THR   7  -1.565 -19.576   0.377
   52    H    MET   8           H        MET   8  -0.164 -15.767  -0.630
   53    HA   MET   8           HA       MET   8   1.514 -13.859   0.415
   54   1HB   MET   8          2HB       MET   8  -0.742 -13.498  -1.569
   55   2HB   MET   8          3HB       MET   8   0.497 -12.284  -1.252
   56   1HG   MET   8          2HG       MET   8   2.221 -14.083  -1.788
   57   2HG   MET   8          3HG       MET   8   0.882 -15.063  -2.383
   58   1HE   MET   8          1HE       MET   8   2.404 -14.102  -5.682
   59   2HE   MET   8          2HE       MET   8   1.126 -15.165  -5.097
   60   3HE   MET   8          3HE       MET   8   2.655 -15.072  -4.224
   61    H    PHE   9           H        PHE   9  -2.046 -13.736   0.417
   62    HA   PHE   9           HA       PHE   9  -2.578 -11.365   1.615
   63   1HB   PHE   9          2HB       PHE   9  -4.245 -13.134   0.970
   64   2HB   PHE   9          3HB       PHE   9  -3.869 -13.962   2.481
   65    HD1  PHE   9           HD1      PHE   9  -4.326 -12.837   4.670
   66    HD2  PHE   9           HD2      PHE   9  -5.606 -11.159   0.928
   67    HE1  PHE   9           HE1      PHE   9  -5.905 -11.356   5.874
   68    HE2  PHE   9           HE2      PHE   9  -7.185  -9.676   2.135
   69    HZ   PHE   9           HZ       PHE   9  -7.335  -9.775   4.608
   70    H    ASP  10           H        ASP  10  -1.536 -14.321   3.294
   71    HA   ASP  10           HA       ASP  10  -1.673 -13.387   5.929
   72   1HB   ASP  10          2HB       ASP  10  -1.231 -15.763   5.124
   73   2HB   ASP  10          3HB       ASP  10   0.444 -15.274   4.882
   74    H    GLN  11           H        GLN  11   1.168 -13.494   3.777
   75    HA   GLN  11           HA       GLN  11   2.976 -12.177   5.455
   76   1HB   GLN  11          2HB       GLN  11   2.946 -13.165   2.808
   77   2HB   GLN  11          3HB       GLN  11   3.462 -11.485   2.702
   78   1HG   GLN  11          2HG       GLN  11   5.212 -11.862   4.362
   79   2HG   GLN  11          3HG       GLN  11   4.668 -13.523   4.597
   80   1HE2  GLN  11          2HE2      GLN  11   4.402 -12.570   1.313
   81   2HE2  GLN  11          1HE2      GLN  11   5.835 -13.284   0.754
   82    H    VAL  12           H        VAL  12   1.424 -10.711   2.596
   83    HA   VAL  12           HA       VAL  12   2.151  -8.103   3.080
   84    HB   VAL  12           HB       VAL  12   0.553  -7.470   1.507
   85   1HG1  VAL  12          1HG1      VAL  12   2.062  -9.456   0.852
   86   2HG1  VAL  12          2HG1      VAL  12   0.595 -10.425   0.979
   87   3HG1  VAL  12          3HG1      VAL  12   0.675  -9.101  -0.179
   88   1HG2  VAL  12          1HG2      VAL  12  -1.552  -8.766   1.117
   89   2HG2  VAL  12          2HG2      VAL  12  -1.136  -9.790   2.487
   90   3HG2  VAL  12          3HG2      VAL  12  -1.469  -8.075   2.736
   91    H    ALA  13           H        ALA  13  -0.865  -9.689   4.141
   92    HA   ALA  13           HA       ALA  13  -1.928  -7.579   5.562
   93   1HB   ALA  13          1HB       ALA  13  -2.050 -10.522   6.262
   94   2HB   ALA  13          2HB       ALA  13  -3.103  -9.278   6.933
   95   3HB   ALA  13          3HB       ALA  13  -3.173  -9.657   5.212
   96    H    GLU  14           H        GLU  14   0.357 -10.073   6.623
   97    HA   GLU  14           HA       GLU  14   0.643  -9.151   9.296
   98   1HB   GLU  14          2HB       GLU  14   1.305 -11.425   8.418
   99   2HB   GLU  14          3HB       GLU  14   2.714 -10.654   7.688
  100   1HG   GLU  14          2HG       GLU  14   3.208  -9.717  10.033
  101   2HG   GLU  14          3HG       GLU  14   2.016 -10.870  10.623
  102    H    VAL  15           H        VAL  15   2.761  -8.758   6.460
  103    HA   VAL  15           HA       VAL  15   4.673  -7.094   7.635
  104    HB   VAL  15           HB       VAL  15   3.752  -7.071   4.750
  105   1HG1  VAL  15          1HG1      VAL  15   6.064  -6.321   4.315
  106   2HG1  VAL  15          2HG1      VAL  15   5.222  -5.184   5.368
  107   3HG1  VAL  15          3HG1      VAL  15   6.391  -6.316   6.048
  108   1HG2  VAL  15          1HG2      VAL  15   4.530  -9.299   6.010
  109   2HG2  VAL  15          2HG2      VAL  15   5.053  -8.949   4.364
  110   3HG2  VAL  15          3HG2      VAL  15   6.126  -8.614   5.721
  111    H    ILE  16           H        ILE  16   1.760  -6.187   5.779
  112    HA   ILE  16           HA       ILE  16   2.057  -3.420   5.852
  113    HB   ILE  16           HB       ILE  16  -0.458  -5.104   5.940
  114   1HG1  ILE  16          2HG1      ILE  16   0.544  -3.513   3.595
  115   2HG1  ILE  16          3HG1      ILE  16   1.288  -5.069   3.953
  116   1HG2  ILE  16          1HG2      ILE  16  -0.033  -2.127   5.760
  117   2HG2  ILE  16          2HG2      ILE  16  -1.404  -2.870   4.936
  118   3HG2  ILE  16          3HG2      ILE  16  -1.239  -3.023   6.685
  119   1HD1  ILE  16          1HD1      ILE  16  -0.499  -5.521   2.424
  120   2HD1  ILE  16          2HD1      ILE  16  -1.066  -6.044   4.009
  121   3HD1  ILE  16          3HD1      ILE  16  -1.620  -4.511   3.337
  122    H    GLU  17           H        GLU  17   0.050  -5.373   8.070
  123    HA   GLU  17           HA       GLU  17  -0.525  -3.365   9.913
  124   1HB   GLU  17          2HB       GLU  17  -0.263  -6.355  10.216
  125   2HB   GLU  17          3HB       GLU  17  -0.749  -5.315  11.555
  126   1HG   GLU  17          2HG       GLU  17  -2.691  -4.556  10.393
  127   2HG   GLU  17          3HG       GLU  17  -2.138  -5.248   8.868
  128    H    ARG  18           H        ARG  18   2.309  -5.436   9.626
  129    HA   ARG  18           HA       ARG  18   3.495  -4.795  12.122
  130   1HB   ARG  18          2HB       ARG  18   4.104  -6.708  10.537
  131   2HB   ARG  18          3HB       ARG  18   5.005  -5.512   9.607
  132   1HG   ARG  18          2HG       ARG  18   6.606  -6.438  11.091
  133   2HG   ARG  18          3HG       ARG  18   6.152  -4.904  11.835
  134   1HD   ARG  18          2HD       ARG  18   4.884  -5.936  13.501
  135   2HD   ARG  18          3HD       ARG  18   4.636  -7.397  12.553
  136    HE   ARG  18           HE       ARG  18   6.800  -8.137  13.186
  137   1HH1  ARG  18          1HH1      ARG  18   5.488  -5.807  15.243
  138   2HH1  ARG  18          2HH1      ARG  18   6.963  -5.458  16.079
  139   1HH2  ARG  18          1HH2      ARG  18   8.935  -7.342  13.940
  140   2HH2  ARG  18          2HH2      ARG  18   8.914  -6.328  15.345
  141    H    LEU  19           H        LEU  19   4.063  -3.513   8.841
  142    HA   LEU  19           HA       LEU  19   5.851  -1.462   9.792
  143   1HB   LEU  19          2HB       LEU  19   5.582  -2.685   7.409
  144   2HB   LEU  19          3HB       LEU  19   4.647  -1.222   7.094
  145    HG   LEU  19           HG       LEU  19   6.710  -0.021   8.226
  146   1HD1  LEU  19          1HD1      LEU  19   8.822  -1.180   7.837
  147   2HD1  LEU  19          2HD1      LEU  19   7.792  -2.190   8.851
  148   3HD1  LEU  19          3HD1      LEU  19   7.972  -2.556   7.136
  149   1HD2  LEU  19          1HD2      LEU  19   6.970  -1.197   5.442
  150   2HD2  LEU  19          2HD2      LEU  19   5.929   0.170   5.836
  151   3HD2  LEU  19          3HD2      LEU  19   7.676   0.308   6.028
  152    H    ARG  20           H        ARG  20   2.431  -1.715   9.320
  153    HA   ARG  20           HA       ARG  20   1.465   0.708   8.677
  154   1HB   ARG  20          2HB       ARG  20  -0.021  -1.062   9.385
  155   2HB   ARG  20          3HB       ARG  20   0.580  -0.964  11.037
  156   1HG   ARG  20          2HG       ARG  20  -0.321   1.272  11.301
  157   2HG   ARG  20          3HG       ARG  20  -0.768   1.337   9.595
  158   1HD   ARG  20          2HD       ARG  20  -1.859  -0.730  11.516
  159   2HD   ARG  20          3HD       ARG  20  -2.674   0.793  11.172
  160    HE   ARG  20           HE       ARG  20  -2.142  -0.402   8.710
  161   1HH1  ARG  20          1HH2      ARG  20  -4.847   0.266  10.194
  162   2HH1  ARG  20          2HH2      ARG  20  -5.658  -1.255  10.017
  163   1HH2  ARG  20          1HH1      ARG  20  -2.793  -2.969   9.077
  164   2HH2  ARG  20          2HH1      ARG  20  -4.493  -3.086   9.385
  165    HA   PRO  21           HA       PRO  21   2.135   2.374  13.336
  166   1HB   PRO  21          2HB       PRO  21   4.801   1.431  13.909
  167   2HB   PRO  21          3HB       PRO  21   3.312   1.137  14.820
  168   1HG   PRO  21          2HG       PRO  21   4.680  -0.572  12.873
  169   2HG   PRO  21          3HG       PRO  21   3.541  -1.006  14.157
  170   1HD   PRO  21          2HD       PRO  21   2.849  -1.108  11.540
  171   2HD   PRO  21          3HD       PRO  21   1.678  -0.675  12.804
  172    H    PHE  22           H        PHE  22   4.724   1.745  10.996
  173    HA   PHE  22           HA       PHE  22   6.003   4.302  11.392
  174   1HB   PHE  22          2HB       PHE  22   7.137   2.165  10.577
  175   2HB   PHE  22          3HB       PHE  22   6.340   2.445   9.031
  176    HD1  PHE  22           HD1      PHE  22   7.507   3.654   7.425
  177    HD2  PHE  22           HD2      PHE  22   8.331   4.363  11.581
  178    HE1  PHE  22           HE1      PHE  22   9.283   5.265   6.798
  179    HE2  PHE  22           HE2      PHE  22  10.107   5.976  10.954
  180    HZ   PHE  22           HZ       PHE  22  10.584   6.426   8.562
  181    H    LEU  23           H        LEU  23   4.007   2.823   8.849
  182    HA   LEU  23           HA       LEU  23   3.885   5.037   7.127
  183   1HB   LEU  23          2HB       LEU  23   1.775   2.906   7.546
  184   2HB   LEU  23          3HB       LEU  23   1.947   3.942   6.130
  185    HG   LEU  23           HG       LEU  23   4.087   2.020   7.095
  186   1HD1  LEU  23          1HD1      LEU  23   3.400   0.530   5.339
  187   2HD1  LEU  23          2HD1      LEU  23   1.953   0.930   6.264
  188   3HD1  LEU  23          3HD1      LEU  23   2.248   1.709   4.709
  189   1HD2  LEU  23          1HD2      LEU  23   5.209   3.612   5.812
  190   2HD2  LEU  23          2HD2      LEU  23   4.733   2.457   4.568
  191   3HD2  LEU  23          3HD2      LEU  23   3.802   3.936   4.798
  192    H    LEU  24           H        LEU  24   1.758   4.079   9.811
  193    HA   LEU  24           HA       LEU  24  -0.230   6.010   9.490
  194   1HB   LEU  24          2HB       LEU  24  -0.476   4.173  11.064
  195   2HB   LEU  24          3HB       LEU  24   0.865   4.785  12.033
  196    HG   LEU  24           HG       LEU  24  -0.393   6.818  12.557
  197   1HD1  LEU  24          1HD1      LEU  24  -1.746   7.346  10.746
  198   2HD1  LEU  24          2HD1      LEU  24  -2.270   5.679  10.515
  199   3HD1  LEU  24          3HD1      LEU  24  -2.941   6.638  11.833
  200   1HD2  LEU  24          1HD2      LEU  24  -0.736   4.819  13.984
  201   2HD2  LEU  24          2HD2      LEU  24  -2.191   5.811  13.905
  202   3HD2  LEU  24          3HD2      LEU  24  -2.085   4.328  12.958
  203    H    ARG  25           H        ARG  25   2.617   6.185  11.628
  204    HA   ARG  25           HA       ARG  25   2.253   8.808  12.509
  205   1HB   ARG  25          2HB       ARG  25   4.725   7.110  12.216
  206   2HB   ARG  25          3HB       ARG  25   4.760   8.719  12.939
  207   1HG   ARG  25          2HG       ARG  25   2.933   7.945  14.517
  208   2HG   ARG  25          3HG       ARG  25   3.177   6.314  13.891
  209   1HD   ARG  25          2HD       ARG  25   4.471   6.730  15.976
  210   2HD   ARG  25          3HD       ARG  25   5.506   6.338  14.606
  211    HE   ARG  25           HE       ARG  25   6.459   8.426  14.854
  212   1HH1  ARG  25          1HH1      ARG  25   3.398   8.330  16.462
  213   2HH1  ARG  25          2HH1      ARG  25   3.446   9.992  16.945
  214   1HH2  ARG  25          1HH2      ARG  25   6.470  10.639  15.382
  215   2HH2  ARG  25          2HH2      ARG  25   5.183  11.299  16.336
  216    H    ASP  26           H        ASP  26   3.776   7.649   9.529
  217    HA   ASP  26           HA       ASP  26   4.606  10.403   8.901
  218   1HB   ASP  26          2HB       ASP  26   6.167   8.384   8.676
  219   2HB   ASP  26          3HB       ASP  26   5.214   7.954   7.258
  220    H    GLY  27           H        GLY  27   3.025   7.697   7.164
  221   1HA   GLY  27          1HA       GLY  27   1.781   9.635   5.339
  222   2HA   GLY  27          2HA       GLY  27   1.859   7.893   5.109
  223    H    GLY  28           H        GLY  28   0.559   6.560   6.613
  224   1HA   GLY  28          1HA       GLY  28  -1.437   7.443   8.312
  225   2HA   GLY  28          2HA       GLY  28  -2.141   7.473   6.697
  226    H    ASP  29           H        ASP  29  -3.596   5.789   7.122
  227    HA   ASP  29           HA       ASP  29  -2.410   3.146   7.701
  228   1HB   ASP  29          2HB       ASP  29  -5.165   4.291   8.079
  229   2HB   ASP  29          3HB       ASP  29  -4.926   2.549   7.997
  230    H    CYS  30           H        CYS  30  -2.402   1.595   6.208
  231    HA   CYS  30           HA       CYS  30  -3.875   2.073   3.685
  232   1HB   CYS  30          2HB       CYS  30  -1.369   2.275   3.536
  233   2HB   CYS  30          3HB       CYS  30  -1.266   0.575   3.996
  234    HG   CYS  30           HG       CYS  30  -1.537   0.177   1.558
  235    H    THR  31           H        THR  31  -4.676   0.200   2.590
  236    HA   THR  31           HA       THR  31  -4.649  -2.341   4.032
  237    HB   THR  31           HB       THR  31  -7.219  -0.852   3.434
  238    HG1  THR  31           HG1      THR  31  -7.155  -0.316   5.455
  239   1HG2  THR  31          1HG2      THR  31  -7.619  -3.174   3.063
  240   2HG2  THR  31          2HG2      THR  31  -6.633  -3.639   4.449
  241   3HG2  THR  31          3HG2      THR  31  -8.189  -2.849   4.700
  242    H    LEU  32           H        LEU  32  -4.387  -3.913   2.607
  243    HA   LEU  32           HA       LEU  32  -4.619  -3.454  -0.222
  244   1HB   LEU  32          2HB       LEU  32  -2.872  -4.919   0.645
  245   2HB   LEU  32          3HB       LEU  32  -4.082  -5.981   1.364
  246    HG   LEU  32           HG       LEU  32  -4.470  -5.459  -1.520
  247   1HD1  LEU  32          1HD1      LEU  32  -2.656  -6.869  -2.269
  248   2HD1  LEU  32          2HD1      LEU  32  -1.963  -5.581  -1.284
  249   3HD1  LEU  32          3HD1      LEU  32  -2.160  -7.196  -0.608
  250   1HD2  LEU  32          1HD2      LEU  32  -4.810  -7.944  -1.472
  251   2HD2  LEU  32          2HD2      LEU  32  -4.379  -7.934   0.237
  252   3HD2  LEU  32          3HD2      LEU  32  -5.826  -7.092  -0.314
  253    H    VAL  33           H        VAL  33  -6.423  -3.630  -1.383
  254    HA   VAL  33           HA       VAL  33  -8.787  -4.873  -0.208
  255    HB   VAL  33           HB       VAL  33  -8.552  -3.507  -2.896
  256   1HG1  VAL  33          1HG1      VAL  33 -10.608  -4.708  -2.714
  257   2HG1  VAL  33          2HG1      VAL  33 -10.826  -4.230  -1.031
  258   3HG1  VAL  33          3HG1      VAL  33 -11.010  -3.038  -2.319
  259   1HG2  VAL  33          1HG2      VAL  33  -9.193  -2.319  -0.172
  260   2HG2  VAL  33          2HG2      VAL  33  -7.747  -1.987  -1.128
  261   3HG2  VAL  33          3HG2      VAL  33  -9.328  -1.467  -1.710
  262    H    ASP  34           H        ASP  34  -6.424  -5.477  -2.722
  263    HA   ASP  34           HA       ASP  34  -7.303  -8.206  -2.982
  264   1HB   ASP  34          2HB       ASP  34  -8.922  -7.011  -4.457
  265   2HB   ASP  34          3HB       ASP  34  -7.567  -6.410  -5.406
  266    H    VAL  35           H        VAL  35  -5.561  -9.411  -3.348
  267    HA   VAL  35           HA       VAL  35  -3.078  -8.108  -4.194
  268    HB   VAL  35           HB       VAL  35  -3.109  -9.557  -2.155
  269   1HG1  VAL  35          1HG1      VAL  35  -4.769 -11.204  -3.200
  270   2HG1  VAL  35          2HG1      VAL  35  -3.392 -11.882  -4.068
  271   3HG1  VAL  35          3HG1      VAL  35  -3.425 -11.911  -2.306
  272   1HG2  VAL  35          1HG2      VAL  35  -1.110 -10.960  -2.874
  273   2HG2  VAL  35          2HG2      VAL  35  -1.397 -10.383  -4.515
  274   3HG2  VAL  35          3HG2      VAL  35  -0.989  -9.239  -3.236
  275    H    GLU  36           H        GLU  36  -2.422  -8.200  -6.227
  276    HA   GLU  36           HA       GLU  36  -3.056 -10.555  -7.868
  277   1HB   GLU  36          2HB       GLU  36  -3.709  -7.687  -8.533
  278   2HB   GLU  36          3HB       GLU  36  -3.517  -8.915  -9.784
  279   1HG   GLU  36          2HG       GLU  36  -5.230 -10.309  -8.592
  280   2HG   GLU  36          3HG       GLU  36  -5.495  -8.960  -7.488
  281    H    ASP  37           H        ASP  37  -1.763 -10.566  -9.903
  282    HA   ASP  37           HA       ASP  37   0.945 -10.473  -9.454
  283   1HB   ASP  37          2HB       ASP  37  -0.573 -10.144 -12.044
  284   2HB   ASP  37          3HB       ASP  37   1.174 -10.363 -11.963
  285    H    GLY  38           H        GLY  38  -0.926  -7.994 -11.203
  286   1HA   GLY  38          1HA       GLY  38   1.047  -5.983 -10.310
  287   2HA   GLY  38          2HA       GLY  38   0.583  -6.070 -12.005
  288    H    ILE  39           H        ILE  39  -2.228  -6.832 -11.074
  289    HA   ILE  39           HA       ILE  39  -3.202  -4.095 -10.880
  290    HB   ILE  39           HB       ILE  39  -4.909  -6.582 -10.971
  291   1HG1  ILE  39          2HG1      ILE  39  -4.772  -5.733 -13.573
  292   2HG1  ILE  39          3HG1      ILE  39  -3.113  -5.465 -13.045
  293   1HG2  ILE  39          1HG2      ILE  39  -5.327  -3.820 -12.141
  294   2HG2  ILE  39          2HG2      ILE  39  -6.525  -5.103 -11.975
  295   3HG2  ILE  39          3HG2      ILE  39  -5.894  -4.290 -10.541
  296   1HD1  ILE  39          1HD1      ILE  39  -3.071  -7.819 -12.171
  297   2HD1  ILE  39          2HD1      ILE  39  -4.667  -8.062 -12.879
  298   3HD1  ILE  39          3HD1      ILE  39  -3.284  -7.725 -13.918
  299    H    VAL  40           H        VAL  40  -2.000  -4.317  -8.616
  300    HA   VAL  40           HA       VAL  40  -3.635  -5.557  -6.567
  301    HB   VAL  40           HB       VAL  40  -0.984  -4.217  -6.684
  302   1HG1  VAL  40          1HG1      VAL  40  -2.768  -4.241  -4.236
  303   2HG1  VAL  40          2HG1      VAL  40  -1.009  -4.168  -4.122
  304   3HG1  VAL  40          3HG1      VAL  40  -1.894  -2.875  -4.927
  305   1HG2  VAL  40          1HG2      VAL  40  -0.284  -6.195  -5.628
  306   2HG2  VAL  40          2HG2      VAL  40  -1.874  -6.497  -4.927
  307   3HG2  VAL  40          3HG2      VAL  40  -1.609  -6.749  -6.651
  308    H    LYS  41           H        LYS  41  -5.285  -4.656  -5.596
  309    HA   LYS  41           HA       LYS  41  -5.840  -1.811  -5.936
  310   1HB   LYS  41          2HB       LYS  41  -7.439  -4.058  -4.678
  311   2HB   LYS  41          3HB       LYS  41  -7.997  -2.390  -4.814
  312   1HG   LYS  41          2HG       LYS  41  -7.364  -2.710  -7.362
  313   2HG   LYS  41          3HG       LYS  41  -7.555  -4.422  -6.979
  314   1HD   LYS  41          2HD       LYS  41  -9.825  -3.980  -6.114
  315   2HD   LYS  41          3HD       LYS  41  -9.637  -2.267  -6.492
  316   1HE   LYS  41          2HE       LYS  41 -10.723  -2.978  -8.409
  317   2HE   LYS  41          3HE       LYS  41  -9.049  -3.217  -8.906
  318   1HZ   LYS  41          1HZ       LYS  41 -11.098  -5.143  -8.542
  319   1HZ   LYS  41          1HZ       LYS  41  -9.767  -5.503  -7.549
  320   3HZ   LYS  41          3HZ       LYS  41  -9.557  -5.335  -9.225
  321    H    LEU  42           H        LEU  42  -5.937  -0.328  -4.261
  322    HA   LEU  42           HA       LEU  42  -5.132  -1.248  -1.574
  323   1HB   LEU  42          2HB       LEU  42  -3.770   0.777  -3.319
  324   2HB   LEU  42          3HB       LEU  42  -3.758   0.996  -1.570
  325    HG   LEU  42           HG       LEU  42  -3.062  -1.719  -2.591
  326   1HD1  LEU  42          1HD1      LEU  42  -1.766  -0.421  -4.140
  327   2HD1  LEU  42          2HD1      LEU  42  -1.302   0.727  -2.884
  328   3HD1  LEU  42          3HD1      LEU  42  -0.661  -0.915  -2.856
  329   1HD2  LEU  42          1HD2      LEU  42  -1.582  -0.074  -0.548
  330   2HD2  LEU  42          2HD2      LEU  42  -3.146  -0.777  -0.135
  331   3HD2  LEU  42          3HD2      LEU  42  -1.808  -1.823  -0.611
  332    H    GLN  43           H        GLN  43  -5.523   0.380   0.097
  333    HA   GLN  43           HA       GLN  43  -7.436   2.487  -0.566
  334   1HB   GLN  43          2HB       GLN  43  -8.718   0.335  -0.099
  335   2HB   GLN  43          3HB       GLN  43  -8.115   0.447   1.556
  336   1HG   GLN  43          2HG       GLN  43  -9.124   2.681   1.786
  337   2HG   GLN  43          3HG       GLN  43  -9.706   2.597   0.125
  338   1HE2  GLN  43          2HE2      GLN  43  -9.718  -0.187   2.339
  339   2HE2  GLN  43          1HE2      GLN  43 -11.407  -0.299   2.453
  340    H    LEU  44           H        LEU  44  -6.634   4.234   0.398
  341    HA   LEU  44           HA       LEU  44  -4.867   3.985   2.687
  342   1HB   LEU  44          2HB       LEU  44  -4.984   5.746   0.582
  343   2HB   LEU  44          3HB       LEU  44  -5.688   6.693   1.892
  344    HG   LEU  44           HG       LEU  44  -3.652   5.784   3.283
  345   1HD1  LEU  44          1HD1      LEU  44  -1.663   5.337   1.956
  346   2HD1  LEU  44          2HD1      LEU  44  -2.931   4.213   1.471
  347   3HD1  LEU  44          3HD1      LEU  44  -2.556   5.609   0.460
  348   1HD2  LEU  44          1HD2      LEU  44  -2.328   7.733   2.596
  349   2HD2  LEU  44          2HD2      LEU  44  -3.253   7.856   1.100
  350   3HD2  LEU  44          3HD2      LEU  44  -4.039   8.159   2.650
  351    H    HIS  45           H        HIS  45  -5.163   5.644   4.477
  352    HA   HIS  45           HA       HIS  45  -7.885   6.300   5.215
  353   1HB   HIS  45          2HB       HIS  45  -6.468   3.930   6.312
  354   2HB   HIS  45          3HB       HIS  45  -7.265   4.969   7.493
  355    HD1  HIS  45           HD1      HIS  45  -9.864   5.243   7.284
  356    HD2  HIS  45           HD2      HIS  45  -8.219   2.471   4.641
  357    HE1  HIS  45           HE1      HIS  45 -11.799   3.882   6.373
  358    H    GLY  46           H        GLY  46  -6.901   8.392   5.184
  359   1HA   GLY  46          1HA       GLY  46  -4.831   8.945   7.185
  360   2HA   GLY  46          2HA       GLY  46  -5.429  10.064   5.965
  361    H    ALA  47           H        ALA  47  -8.142   8.716   7.122
  362    HA   ALA  47           HA       ALA  47  -9.849   9.484   8.448
  363   1HB   ALA  47          1HB       ALA  47  -9.104  10.160  10.805
  364   2HB   ALA  47          2HB       ALA  47  -8.697   8.527  10.279
  365   3HB   ALA  47          3HB       ALA  47  -7.466   9.788  10.270
  366    H    CYS  48           H        CYS  48  -8.345  11.401   6.673
  367    HA   CYS  48           HA       CYS  48  -9.461  13.860   7.844
  368   1HB   CYS  48          2HB       CYS  48  -6.913  13.650   8.190
  369   2HB   CYS  48          3HB       CYS  48  -6.792  13.900   6.449
  370    HG   CYS  48           HG       CYS  48  -7.778  16.010   8.500
  371    H    GLY  49           H        GLY  49 -10.573  12.177   5.859
  372   1HA   GLY  49          1HA       GLY  49 -10.016  13.048   3.213
  373   2HA   GLY  49          2HA       GLY  49 -11.492  12.247   3.746
  374    H    THR  50           H        THR  50  -9.836  15.384   3.787
  375    HA   THR  50           HA       THR  50 -12.429  16.725   3.385
  376    HB   THR  50           HB       THR  50 -11.967  18.364   5.064
  377    HG1  THR  50           HG1      THR  50  -9.905  17.959   6.300
  378   1HG2  THR  50          1HG2      THR  50 -11.056  15.791   6.350
  379   2HG2  THR  50          2HG2      THR  50 -12.037  17.074   7.055
  380   3HG2  THR  50          3HG2      THR  50 -12.719  16.022   5.813
  381    H    CYS  51           H        CYS  51  -8.919  17.292   3.621
  382    HA   CYS  51           HA       CYS  51  -8.848  18.417   0.948
  383   1HB   CYS  51          2HB       CYS  51  -8.086  20.606   1.586
  384   2HB   CYS  51          3HB       CYS  51  -9.585  20.299   2.465
  385    HG   CYS  51           HG       CYS  51  -6.744  20.308   3.738
  386    HA   PRO  52           HA       PRO  52  -5.132  16.100   3.020
  387   1HB   PRO  52          2HB       PRO  52  -5.122  14.468   0.650
  388   2HB   PRO  52          3HB       PRO  52  -5.441  13.974   2.317
  389   1HG   PRO  52          2HG       PRO  52  -7.310  14.493   0.142
  390   2HG   PRO  52          3HG       PRO  52  -7.558  13.616   1.657
  391   1HD   PRO  52          2HD       PRO  52  -8.666  16.071   1.125
  392   2HD   PRO  52          3HD       PRO  52  -8.315  15.484   2.765
  393    H    SER  53           H        SER  53  -3.624  17.662   2.693
  394    HA   SER  53           HA       SER  53  -2.907  18.450  -0.045
  395   1HB   SER  53          2HB       SER  53  -3.317  20.133   1.849
  396   2HB   SER  53          3HB       SER  53  -1.780  19.586   2.513
  397    HG   SER  53           HG       SER  53  -1.874  21.449   0.922
  398    H    SER  54           H        SER  54  -1.737  16.700   2.734
  399    HA   SER  54           HA       SER  54   0.972  16.464   1.675
  400   1HB   SER  54          2HB       SER  54   0.201  16.646   4.192
  401   2HB   SER  54          3HB       SER  54  -0.022  14.908   4.031
  402    HG   SER  54           HG       SER  54   2.119  14.696   3.502
  403    H    THR  55           H        THR  55  -1.963  14.545   2.000
  404    HA   THR  55           HA       THR  55  -0.900  11.998   1.463
  405    HB   THR  55           HB       THR  55  -3.610  12.926   0.517
  406    HG1  THR  55           HG1      THR  55  -3.403  11.876   3.038
  407   1HG2  THR  55          1HG2      THR  55  -2.643  10.560   0.097
  408   2HG2  THR  55          2HG2      THR  55  -2.851  10.318   1.831
  409   3HG2  THR  55          3HG2      THR  55  -4.248  10.671   0.817
  410    H    ILE  56           H        ILE  56  -1.664  14.685  -0.640
  411    HA   ILE  56           HA       ILE  56  -1.790  13.380  -3.113
  412    HB   ILE  56           HB       ILE  56  -0.600  16.112  -2.566
  413   1HG1  ILE  56          2HG1      ILE  56  -3.482  15.356  -3.151
  414   2HG1  ILE  56          3HG1      ILE  56  -2.870  15.758  -1.548
  415   1HG2  ILE  56          1HG2      ILE  56  -1.933  14.909  -5.018
  416   2HG2  ILE  56          2HG2      ILE  56  -1.378  16.578  -4.871
  417   3HG2  ILE  56          3HG2      ILE  56  -0.212  15.257  -4.847
  418   1HD1  ILE  56          1HD1      ILE  56  -3.649  17.834  -2.238
  419   2HD1  ILE  56          2HD1      ILE  56  -1.972  17.922  -2.775
  420   3HD1  ILE  56          3HD1      ILE  56  -3.248  17.537  -3.930
  421    H    THR  57           H        THR  57   1.040  14.992  -1.636
  422    HA   THR  57           HA       THR  57   2.914  14.093  -3.546
  423    HB   THR  57           HB       THR  57   3.483  14.765  -0.651
  424    HG1  THR  57           HG1      THR  57   3.812  16.901  -1.658
  425   1HG2  THR  57          1HG2      THR  57   5.272  13.778  -2.251
  426   2HG2  THR  57          2HG2      THR  57   5.194  15.338  -3.067
  427   3HG2  THR  57          3HG2      THR  57   5.674  15.253  -1.373
  428    H    LEU  58           H        LEU  58   2.004  12.803  -0.356
  429    HA   LEU  58           HA       LEU  58   3.842  10.685  -0.251
  430   1HB   LEU  58          2HB       LEU  58   1.313  11.395   1.099
  431   2HB   LEU  58          3HB       LEU  58   1.659   9.668   1.053
  432    HG   LEU  58           HG       LEU  58   2.604  10.775   3.076
  433   1HD1  LEU  58          1HD1      LEU  58   4.449   9.422   3.056
  434   2HD1  LEU  58          2HD1      LEU  58   3.744   8.855   1.543
  435   3HD1  LEU  58          3HD1      LEU  58   5.032  10.061   1.518
  436   1HD2  LEU  58          1HD2      LEU  58   4.623  12.111   1.282
  437   2HD2  LEU  58          2HD2      LEU  58   3.099  12.922   1.641
  438   3HD2  LEU  58          3HD2      LEU  58   4.197  12.491   2.951
  439    H    LYS  59           H        LYS  59   0.416  10.583  -1.244
  440    HA   LYS  59           HA       LYS  59   0.200   7.984  -2.083
  441   1HB   LYS  59          2HB       LYS  59  -1.616   9.730  -2.071
  442   2HB   LYS  59          3HB       LYS  59  -0.964  10.329  -3.595
  443   1HG   LYS  59          2HG       LYS  59  -1.327   8.137  -4.638
  444   2HG   LYS  59          3HG       LYS  59  -1.914   7.490  -3.107
  445   1HD   LYS  59          2HD       LYS  59  -3.960   8.066  -3.936
  446   2HD   LYS  59          3HD       LYS  59  -3.523   9.672  -3.357
  447   1HE   LYS  59          2HE       LYS  59  -3.093   8.610  -6.166
  448   2HE   LYS  59          3HE       LYS  59  -4.286   9.815  -5.679
  449   1HZ   LYS  59          1HZ       LYS  59  -2.306  10.838  -6.621
  450   1HZ   LYS  59          1HZ       LYS  59  -1.340  10.109  -5.429
  451   3HZ   LYS  59          3HZ       LYS  59  -2.498  11.274  -4.993
  452    H    ALA  60           H        ALA  60   1.122  10.714  -4.195
  453    HA   ALA  60           HA       ALA  60   1.769   9.163  -6.453
  454   1HB   ALA  60          1HB       ALA  60   3.028  11.802  -5.676
  455   2HB   ALA  60          2HB       ALA  60   2.861  11.133  -7.298
  456   3HB   ALA  60          3HB       ALA  60   1.431  11.655  -6.409
  457    H    GLY  61           H        GLY  61   3.532   9.880  -3.538
  458   1HA   GLY  61          1HA       GLY  61   6.146   9.237  -4.474
  459   2HA   GLY  61          2HA       GLY  61   5.626   9.283  -2.789
  460    H    ILE  62           H        ILE  62   3.670   7.394  -2.697
  461    HA   ILE  62           HA       ILE  62   5.131   4.978  -2.539
  462    HB   ILE  62           HB       ILE  62   2.185   4.749  -2.742
  463   1HG1  ILE  62          2HG1      ILE  62   3.558   6.613  -0.792
  464   2HG1  ILE  62          3HG1      ILE  62   2.122   6.913  -1.769
  465   1HG2  ILE  62          1HG2      ILE  62   3.965   4.087  -0.398
  466   2HG2  ILE  62          2HG2      ILE  62   2.482   3.287  -0.920
  467   3HG2  ILE  62          3HG2      ILE  62   3.970   3.078  -1.844
  468   1HD1  ILE  62          1HD1      ILE  62   1.113   4.912  -0.395
  469   2HD1  ILE  62          2HD1      ILE  62   2.389   5.317   0.755
  470   3HD1  ILE  62          3HD1      ILE  62   1.179   6.522   0.321
  471    H    GLU  63           H        GLU  63   2.529   5.977  -4.787
  472    HA   GLU  63           HA       GLU  63   2.338   3.790  -6.412
  473   1HB   GLU  63          2HB       GLU  63   1.035   5.899  -6.681
  474   2HB   GLU  63          3HB       GLU  63   2.452   6.643  -7.422
  475   1HG   GLU  63          2HG       GLU  63   2.353   5.256  -9.315
  476   2HG   GLU  63          3HG       GLU  63   1.388   4.035  -8.489
  477    H    ARG  64           H        ARG  64   4.575   6.503  -7.054
  478    HA   ARG  64           HA       ARG  64   5.998   5.296  -9.141
  479   1HB   ARG  64          2HB       ARG  64   6.467   7.546  -7.260
  480   2HB   ARG  64          3HB       ARG  64   7.897   6.878  -8.050
  481   1HG   ARG  64          2HG       ARG  64   6.917   8.721  -9.379
  482   2HG   ARG  64          3HG       ARG  64   6.849   7.191 -10.254
  483   1HD   ARG  64          2HD       ARG  64   4.506   6.902  -9.672
  484   2HD   ARG  64          3HD       ARG  64   4.550   8.318  -8.626
  485    HE   ARG  64           HE       ARG  64   3.888   9.392 -10.578
  486   1HH1  ARG  64          1HH1      ARG  64   4.015   7.187 -12.536
  487   2HH1  ARG  64          2HH1      ARG  64   5.292   7.668 -13.603
  488   1HH2  ARG  64          1HH2      ARG  64   6.604  10.010 -11.404
  489   2HH2  ARG  64          2HH2      ARG  64   6.758   9.267 -12.961
  490    H    ALA  65           H        ALA  65   6.435   5.124  -5.645
  491    HA   ALA  65           HA       ALA  65   8.920   3.823  -5.564
  492   1HB   ALA  65          1HB       ALA  65   8.506   3.502  -3.314
  493   2HB   ALA  65          2HB       ALA  65   7.361   4.797  -3.657
  494   3HB   ALA  65          3HB       ALA  65   6.802   3.127  -3.569
  495    H    LEU  66           H        LEU  66   5.626   2.470  -5.554
  496    HA   LEU  66           HA       LEU  66   6.292  -0.243  -5.466
  497   1HB   LEU  66          2HB       LEU  66   3.940   1.331  -6.413
  498   2HB   LEU  66          3HB       LEU  66   4.041  -0.362  -6.894
  499    HG   LEU  66           HG       LEU  66   4.399  -0.946  -4.460
  500   1HD1  LEU  66          1HD1      LEU  66   3.744   0.771  -2.795
  501   2HD1  LEU  66          2HD1      LEU  66   5.181   1.262  -3.692
  502   3HD1  LEU  66          3HD1      LEU  66   3.613   1.964  -4.087
  503   1HD2  LEU  66          1HD2      LEU  66   2.207  -1.284  -5.363
  504   2HD2  LEU  66          2HD2      LEU  66   1.973  -0.436  -3.834
  505   3HD2  LEU  66          3HD2      LEU  66   1.863   0.445  -5.357
  506    H    HIS  67           H        HIS  67   5.691   1.834  -8.295
  507    HA   HIS  67           HA       HIS  67   6.078  -0.049 -10.307
  508   1HB   HIS  67          2HB       HIS  67   6.690   2.915 -10.274
  509   2HB   HIS  67          3HB       HIS  67   6.726   1.921 -11.730
  510    HD1  HIS  67           HD1      HIS  67   4.684   3.253 -12.708
  511    HD2  HIS  67           HD2      HIS  67   3.852   1.211  -9.170
  512    HE1  HIS  67           HE1      HIS  67   2.164   3.229 -12.469
  513    H    GLU  68           H        GLU  68   8.510   2.176  -8.916
  514    HA   GLU  68           HA       GLU  68  10.692   1.104 -10.383
  515   1HB   GLU  68          2HB       GLU  68  10.924   3.297  -9.456
  516   2HB   GLU  68          3HB       GLU  68  10.557   2.721  -7.831
  517   1HG   GLU  68          2HG       GLU  68  12.624   1.473  -7.730
  518   2HG   GLU  68          3HG       GLU  68  12.954   1.784  -9.433
  519    H    GLU  69           H        GLU  69   9.069   0.111  -7.481
  520    HA   GLU  69           HA       GLU  69  11.226  -1.618  -6.604
  521   1HB   GLU  69          2HB       GLU  69   8.436  -1.062  -5.621
  522   2HB   GLU  69          3HB       GLU  69   9.375  -2.409  -4.980
  523   1HG   GLU  69          2HG       GLU  69  10.579   0.349  -5.124
  524   2HG   GLU  69          3HG       GLU  69   9.523  -0.089  -3.785
  525    H    VAL  70           H        VAL  70   8.779  -1.801  -8.918
  526    HA   VAL  70           HA       VAL  70   9.303  -4.621  -9.322
  527    HB   VAL  70           HB       VAL  70   7.435  -4.489  -7.607
  528   1HG1  VAL  70          1HG1      VAL  70   6.400  -2.571  -9.319
  529   2HG1  VAL  70          2HG1      VAL  70   5.412  -3.988  -9.668
  530   3HG1  VAL  70          3HG1      VAL  70   5.516  -3.370  -8.020
  531   1HG2  VAL  70          1HG2      VAL  70   7.243  -5.884 -10.261
  532   2HG2  VAL  70          2HG2      VAL  70   7.573  -6.559  -8.667
  533   3HG2  VAL  70          3HG2      VAL  70   5.934  -6.067  -9.094
  534    HA   PRO  71           HA       PRO  71   8.589  -1.626 -13.007
  535   1HB   PRO  71          2HB       PRO  71  10.796  -3.034 -14.212
  536   2HB   PRO  71          3HB       PRO  71  10.719  -1.336 -13.719
  537   1HG   PRO  71          2HG       PRO  71  11.930  -3.618 -12.356
  538   2HG   PRO  71          3HG       PRO  71  12.213  -1.886 -12.132
  539   1HD   PRO  71          2HD       PRO  71  10.907  -3.433 -10.292
  540   2HD   PRO  71          3HD       PRO  71  10.591  -1.697 -10.500
  541    H    GLY  72           H        GLY  72   7.069  -2.301 -14.381
  542   1HA   GLY  72          1HA       GLY  72   6.647  -3.846 -16.302
  543   2HA   GLY  72          2HA       GLY  72   7.011  -5.154 -15.180
  544    H    VAL  73           H        VAL  73   5.373  -2.487 -13.815
  545    HA   VAL  73           HA       VAL  73   3.113  -4.015 -13.054
  546    HB   VAL  73           HB       VAL  73   2.208  -1.794 -12.312
  547   1HG1  VAL  73          1HG1      VAL  73   5.092  -2.314 -11.541
  548   2HG1  VAL  73          2HG1      VAL  73   3.879  -1.481 -10.568
  549   3HG1  VAL  73          3HG1      VAL  73   3.710  -3.206 -10.900
  550   1HG2  VAL  73          1HG2      VAL  73   3.371  -0.520 -14.183
  551   2HG2  VAL  73          2HG2      VAL  73   3.533   0.194 -12.581
  552   3HG2  VAL  73          3HG2      VAL  73   4.870  -0.718 -13.277
  553    H    ILE  74           H        ILE  74   0.936  -3.699 -13.568
  554    HA   ILE  74           HA       ILE  74   0.529  -3.055 -16.408
  555    HB   ILE  74           HB       ILE  74  -1.583  -4.405 -14.798
  556   1HG1  ILE  74          2HG1      ILE  74   0.531  -5.513 -14.052
  557   2HG1  ILE  74          3HG1      ILE  74  -0.494  -6.588 -14.996
  558   1HG2  ILE  74          1HG2      ILE  74  -1.817  -5.654 -16.916
  559   2HG2  ILE  74          2HG2      ILE  74  -1.876  -3.912 -17.182
  560   3HG2  ILE  74          3HG2      ILE  74  -0.407  -4.812 -17.560
  561   1HD1  ILE  74          1HD1      ILE  74   1.818  -5.006 -16.155
  562   2HD1  ILE  74          2HD1      ILE  74   1.924  -6.693 -15.658
  563   3HD1  ILE  74          3HD1      ILE  74   0.857  -6.229 -16.984
  564    H    GLU  75           H        GLU  75  -1.321  -2.831 -13.352
  565    HA   GLU  75           HA       GLU  75  -1.868  -0.041 -13.717
  566   1HB   GLU  75          2HB       GLU  75  -3.432  -1.324 -15.358
  567   2HB   GLU  75          3HB       GLU  75  -4.314  -1.784 -13.903
  568   1HG   GLU  75          2HG       GLU  75  -4.350   0.710 -13.311
  569   2HG   GLU  75          3HG       GLU  75  -3.798   1.006 -14.958
  570    H    VAL  76           H        VAL  76  -1.418   0.420 -11.631
  571    HA   VAL  76           HA       VAL  76  -2.503  -1.236  -9.482
  572    HB   VAL  76           HB       VAL  76  -0.197  -0.412  -9.276
  573   1HG1  VAL  76          1HG1      VAL  76  -0.020   2.136  -8.774
  574   2HG1  VAL  76          2HG1      VAL  76  -0.131   1.623 -10.456
  575   3HG1  VAL  76          3HG1      VAL  76  -1.555   2.258  -9.630
  576   1HG2  VAL  76          1HG2      VAL  76  -0.350   0.380  -7.018
  577   2HG2  VAL  76          2HG2      VAL  76  -1.947   1.073  -7.295
  578   3HG2  VAL  76          3HG2      VAL  76  -1.738  -0.679  -7.256
  579    H    GLU  77           H        GLU  77  -3.695  -0.193  -7.687
  580    HA   GLU  77           HA       GLU  77  -5.161   2.242  -8.428
  581   1HB   GLU  77          2HB       GLU  77  -6.682  -0.198  -7.531
  582   2HB   GLU  77          3HB       GLU  77  -7.308   1.282  -8.256
  583   1HG   GLU  77          2HG       GLU  77  -6.130   0.708 -10.376
  584   2HG   GLU  77          3HG       GLU  77  -5.595  -0.803  -9.648
  585    H    GLN  78           H        GLN  78  -5.237   3.549  -6.754
  586    HA   GLN  78           HA       GLN  78  -5.310   2.401  -4.030
  587   1HB   GLN  78          2HB       GLN  78  -3.070   3.521  -4.880
  588   2HB   GLN  78          3HB       GLN  78  -3.936   5.016  -4.531
  589   1HG   GLN  78          2HG       GLN  78  -4.518   3.728  -2.268
  590   2HG   GLN  78          3HG       GLN  78  -3.027   2.871  -2.659
  591   1HE2  GLN  78          2HE2      GLN  78  -4.364   6.045  -1.816
  592   2HE2  GLN  78          1HE2      GLN  78  -2.868   6.773  -1.480
  593    H    VAL  79           H        VAL  79  -7.557   2.671  -3.995
  594    HA   VAL  79           HA       VAL  79  -8.689   5.317  -4.430
  595    HB   VAL  79           HB       VAL  79 -10.824   4.297  -4.140
  596   1HG1  VAL  79          1HG1      VAL  79  -9.663   3.710  -6.238
  597   2HG1  VAL  79          2HG1      VAL  79  -8.967   2.288  -5.458
  598   3HG1  VAL  79          3HG1      VAL  79 -10.710   2.394  -5.705
  599   1HG2  VAL  79          1HG2      VAL  79  -9.256   2.074  -2.810
  600   2HG2  VAL  79          2HG2      VAL  79 -10.588   3.018  -2.146
  601   3HG2  VAL  79          3HG2      VAL  79 -10.899   1.825  -3.403
  602    H    PHE  80           H        PHE  80 -10.354   6.026  -2.719
  603    HA   PHE  80           HA       PHE  80  -8.923   6.237  -0.170
  604   1HB   PHE  80          2HB       PHE  80 -11.355   7.769  -1.115
  605   2HB   PHE  80          3HB       PHE  80 -10.310   8.166   0.249
  606    HD1  PHE  80           HD1      PHE  80  -7.721   8.381  -0.358
  607    HD2  PHE  80           HD2      PHE  80 -10.943   8.817  -3.168
  608    HE1  PHE  80           HE1      PHE  80  -6.230   9.657  -1.871
  609    HE2  PHE  80           HE2      PHE  80  -9.451  10.094  -4.680
  610    HZ   PHE  80           HZ       PHE  80  -7.093  10.514  -4.033
  611    H    LEU  81           H        LEU  81 -10.647   6.618   1.722
  612    HA   LEU  81           HA       LEU  81 -11.779   4.075   2.241
  613   1HB   LEU  81          2HB       LEU  81 -12.490   4.973   4.336
  614   2HB   LEU  81          3HB       LEU  81 -10.924   5.682   3.972
  615    HG   LEU  81           HG       LEU  81 -12.191   7.511   4.737
  616   1HD1  LEU  81          1HD1      LEU  81 -12.615   7.570   1.737
  617   2HD1  LEU  81          2HD1      LEU  81 -12.561   8.959   2.817
  618   3HD1  LEU  81          3HD1      LEU  81 -11.110   7.995   2.555
  619   1HD2  LEU  81          1HD2      LEU  81 -14.382   5.999   4.295
  620   2HD2  LEU  81          2HD2      LEU  81 -14.464   7.732   4.602
  621   3HD2  LEU  81          3HD2      LEU  81 -14.536   7.126   2.947
  622    H    GLU  82           H        GLU  82 -12.905   6.311   0.142
  623    HA   GLU  82           HA       GLU  82 -15.668   6.505   0.730
  624   1HB   GLU  82          2HB       GLU  82 -14.103   6.678  -1.848
  625   2HB   GLU  82          3HB       GLU  82 -15.850   6.911  -1.785
  626   1HG   GLU  82          2HG       GLU  82 -14.013   8.451   0.046
  627   2HG   GLU  82          3HG       GLU  82 -14.331   9.010  -1.594
  628    H    HIS  83           H        HIS  83 -17.383   5.193   0.262
  629    HA   HIS  83           HA       HIS  83 -16.892   2.715  -1.252
  630   1HB   HIS  83          2HB       HIS  83 -18.275   1.506   0.517
  631   2HB   HIS  83          3HB       HIS  83 -16.633   1.947   0.982
  632    HD1  HIS  83           HD1      HIS  83 -19.262   4.604   0.839
  633    HD2  HIS  83           HD2      HIS  83 -17.424   2.226   3.729
  634    HE1  HIS  83           HE1      HIS  83 -19.874   5.604   3.083
  635    H    HIS  84           H        HIS  84 -18.477   5.403  -1.366
  636    HA   HIS  84           HA       HIS  84 -20.938   4.170  -2.410
  637   1HB   HIS  84          2HB       HIS  84 -21.363   5.058  -0.096
  638   2HB   HIS  84          3HB       HIS  84 -20.937   6.663  -0.689
  639    HD1  HIS  84           HD1      HIS  84 -22.424   7.404  -2.920
  640    HD2  HIS  84           HD2      HIS  84 -24.040   4.477  -0.432
  641    HE1  HIS  84           HE1      HIS  84 -24.904   7.330  -3.422
  642    H    HIS  85           H        HIS  85 -19.804   4.527  -4.435
  643    HA   HIS  85           HA       HIS  85 -19.388   7.303  -5.241
  644   1HB   HIS  85          2HB       HIS  85 -17.825   5.361  -5.843
  645   2HB   HIS  85          3HB       HIS  85 -19.069   4.859  -6.985
  646    HD1  HIS  85           HD1      HIS  85 -16.670   5.580  -8.441
  647    HD2  HIS  85           HD2      HIS  85 -19.279   8.566  -7.153
  648    HE1  HIS  85           HE1      HIS  85 -16.201   7.611  -9.879
  649    H    HIS  86           H        HIS  86 -20.114   6.331  -8.084
  650    HA   HIS  86           HA       HIS  86 -21.878   6.757  -9.491
  651   1HB   HIS  86          2HB       HIS  86 -22.390   4.455  -8.528
  652   2HB   HIS  86          3HB       HIS  86 -23.522   5.261  -7.443
  653    HD1  HIS  86           HD1      HIS  86 -25.823   5.603  -8.351
  654    HD2  HIS  86           HD2      HIS  86 -23.031   5.100 -11.404
  655    HE1  HIS  86           HE1      HIS  86 -27.130   5.591 -10.518
  656    H    HIS  87           H        HIS  87 -24.678   6.717  -7.955
  657    HA   HIS  87           HA       HIS  87 -24.653   9.341  -6.701
  658   1HB   HIS  87          2HB       HIS  87 -26.612   9.052  -8.943
  659   2HB   HIS  87          3HB       HIS  87 -25.888  10.510  -8.269
  660    HD1  HIS  87           HD1      HIS  87 -24.754   7.448 -10.255
  661    HD2  HIS  87           HD2      HIS  87 -23.844  11.495  -9.848
  662    HE1  HIS  87           HE1      HIS  87 -22.947   7.949 -11.957
  663    H    HIS  88           H        HIS  88 -27.045   7.244  -8.309
  664    HA   HIS  88           HA       HIS  88 -28.397   6.898  -5.702
  665   1HB   HIS  88          2HB       HIS  88 -29.556   8.464  -7.373
  666   2HB   HIS  88          3HB       HIS  88 -29.853   7.025  -8.345
  667    HD1  HIS  88           HD1      HIS  88 -31.523   8.996  -5.955
  668    HD2  HIS  88           HD2      HIS  88 -31.038   4.879  -6.388
  669    HE1  HIS  88           HE1      HIS  88 -33.392   7.911  -4.631
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1   4.026 -31.631  -5.749
    2   2H    MET   1          2HT       MET   1   5.198 -31.789  -4.528
    3   3H    MET   1          3HT       MET   1   5.251 -30.468  -5.596
    4    HA   MET   1           HA       MET   1   3.067 -29.734  -4.718
    5   1HB   MET   1          2HB       MET   1   3.672 -31.781  -2.562
    6   2HB   MET   1          3HB       MET   1   2.261 -30.727  -2.661
    7   1HG   MET   1          2HG       MET   1   1.354 -32.643  -3.579
    8   2HG   MET   1          3HG       MET   1   2.006 -31.908  -5.043
    9   1HE   MET   1          1HE       MET   1   2.679 -33.946  -2.025
   10   2HE   MET   1          2HE       MET   1   3.700 -35.296  -2.512
   11   3HE   MET   1          3HE       MET   1   2.008 -35.260  -2.999
   12    HA   PRO   2           HA       PRO   2   6.744 -27.826  -2.654
   13   1HB   PRO   2          2HB       PRO   2   6.210 -25.407  -4.135
   14   2HB   PRO   2          3HB       PRO   2   7.594 -26.500  -4.284
   15   1HG   PRO   2          2HG       PRO   2   5.631 -26.133  -6.189
   16   2HG   PRO   2          3HG       PRO   2   6.730 -27.517  -6.096
   17   1HD   PRO   2          2HD       PRO   2   3.862 -27.332  -5.289
   18   2HD   PRO   2          3HD       PRO   2   4.778 -28.726  -5.902
   19    H    THR   3           H        THR   3   6.709 -25.268  -1.879
   20    HA   THR   3           HA       THR   3   4.706 -25.169   0.142
   21    HB   THR   3           HB       THR   3   5.654 -22.943   0.653
   22    HG1  THR   3           HG1      THR   3   6.635 -21.894  -0.858
   23   1HG2  THR   3          1HG2      THR   3   7.897 -24.824  -0.054
   24   2HG2  THR   3          2HG2      THR   3   7.805 -23.692   1.295
   25   3HG2  THR   3          3HG2      THR   3   6.793 -25.135   1.286
   26    H    GLU   4           H        GLU   4   5.122 -22.118  -1.177
   27    HA   GLU   4           HA       GLU   4   3.766 -20.607  -2.161
   28   1HB   GLU   4          2HB       GLU   4   3.790 -22.675  -3.898
   29   2HB   GLU   4          3HB       GLU   4   2.068 -22.623  -3.520
   30   1HG   GLU   4          2HG       GLU   4   2.190 -21.108  -5.288
   31   2HG   GLU   4          3HG       GLU   4   2.339 -20.038  -3.898
   32    H    ASN   5           H        ASN   5   2.822 -22.578   0.187
   33    HA   ASN   5           HA       ASN   5  -0.001 -22.410   0.197
   34   1HB   ASN   5          2HB       ASN   5   0.333 -23.774   1.941
   35   2HB   ASN   5          3HB       ASN   5   2.052 -23.400   1.930
   36   1HD2  ASN   5          2HD2      ASN   5   2.760 -22.567   3.886
   37   2HD2  ASN   5          1HD2      ASN   5   1.816 -21.649   4.959
   38    HA   PRO   6           HA       PRO   6   0.551 -18.357   2.655
   39   1HB   PRO   6          2HB       PRO   6   3.278 -17.426   2.516
   40   2HB   PRO   6          3HB       PRO   6   2.382 -17.967   3.943
   41   1HG   PRO   6          2HG       PRO   6   4.526 -19.285   2.827
   42   2HG   PRO   6          3HG       PRO   6   3.318 -20.020   3.892
   43   1HD   PRO   6          2HD       PRO   6   3.544 -20.173   0.908
   44   2HD   PRO   6          3HD       PRO   6   2.990 -21.405   2.064
   45    H    THR   7           H        THR   7  -0.579 -17.572   0.840
   46    HA   THR   7           HA       THR   7   0.742 -16.667  -1.539
   47    HB   THR   7           HB       THR   7  -1.424 -15.937  -2.255
   48    HG1  THR   7           HG1      THR   7  -2.069 -14.824  -0.426
   49   1HG2  THR   7          1HG2      THR   7  -0.981 -18.444  -1.899
   50   2HG2  THR   7          2HG2      THR   7  -2.001 -18.301  -0.467
   51   3HG2  THR   7          3HG2      THR   7  -2.665 -17.950  -2.063
   52    H    MET   8           H        MET   8  -0.129 -14.282  -2.228
   53    HA   MET   8           HA       MET   8   1.538 -12.437  -1.009
   54   1HB   MET   8          2HB       MET   8  -1.003 -12.075  -2.597
   55   2HB   MET   8          3HB       MET   8  -0.053 -10.704  -2.028
   56   1HG   MET   8          2HG       MET   8   0.758 -11.140  -4.220
   57   2HG   MET   8          3HG       MET   8   1.963 -11.842  -3.141
   58   1HE   MET   8          1HE       MET   8   2.395 -15.212  -4.352
   59   2HE   MET   8          2HE       MET   8   2.516 -14.245  -2.884
   60   3HE   MET   8          3HE       MET   8   3.074 -13.579  -4.415
   61    H    PHE   9           H        PHE   9  -1.937 -12.954  -0.458
   62    HA   PHE   9           HA       PHE   9  -2.613 -11.046   1.343
   63   1HB   PHE   9          2HB       PHE   9  -3.906 -13.165   0.505
   64   2HB   PHE   9          3HB       PHE   9  -3.310 -13.894   1.995
   65    HD1  PHE   9           HD1      PHE   9  -5.437 -11.245   0.558
   66    HD2  PHE   9           HD2      PHE   9  -4.078 -13.122   4.176
   67    HE1  PHE   9           HE1      PHE   9  -7.227 -10.094   1.827
   68    HE2  PHE   9           HE2      PHE   9  -5.868 -11.968   5.445
   69    HZ   PHE   9           HZ       PHE   9  -7.444 -10.455   4.271
   70    H    ASP  10           H        ASP  10  -0.737 -13.965   2.040
   71    HA   ASP  10           HA       ASP  10  -0.536 -13.638   4.829
   72   1HB   ASP  10          2HB       ASP  10   0.026 -15.739   3.701
   73   2HB   ASP  10          3HB       ASP  10   1.399 -14.964   2.917
   74    H    GLN  11           H        GLN  11   1.890 -12.861   2.317
   75    HA   GLN  11           HA       GLN  11   3.697 -11.555   4.031
   76   1HB   GLN  11          2HB       GLN  11   3.346 -11.849   1.128
   77   2HB   GLN  11          3HB       GLN  11   4.107 -10.328   1.597
   78   1HG   GLN  11          2HG       GLN  11   5.723 -12.244   1.230
   79   2HG   GLN  11          3HG       GLN  11   5.838 -11.481   2.817
   80   1HE2  GLN  11          2HE2      GLN  11   3.179 -13.625   1.907
   81   2HE2  GLN  11          1HE2      GLN  11   3.581 -14.856   2.988
   82    H    VAL  12           H        VAL  12   1.486 -10.040   1.680
   83    HA   VAL  12           HA       VAL  12   1.890  -7.418   2.303
   84    HB   VAL  12           HB       VAL  12  -0.305  -6.969   1.421
   85   1HG1  VAL  12          1HG1      VAL  12  -0.108  -8.118  -0.642
   86   2HG1  VAL  12          2HG1      VAL  12   1.532  -7.979  -0.009
   87   3HG1  VAL  12          3HG1      VAL  12   0.662  -9.504   0.125
   88   1HG2  VAL  12          1HG2      VAL  12  -0.830  -9.846   2.169
   89   2HG2  VAL  12          2HG2      VAL  12  -1.781  -8.422   2.586
   90   3HG2  VAL  12          3HG2      VAL  12  -1.789  -9.037   0.934
   91    H    ALA  13           H        ALA  13  -0.725  -9.372   3.755
   92    HA   ALA  13           HA       ALA  13  -1.494  -7.523   5.630
   93   1HB   ALA  13          1HB       ALA  13  -1.449 -10.535   5.931
   94   2HB   ALA  13          2HB       ALA  13  -2.389  -9.426   6.930
   95   3HB   ALA  13          3HB       ALA  13  -2.751  -9.586   5.212
   96    H    GLU  14           H        GLU  14   1.053  -9.960   5.786
   97    HA   GLU  14           HA       GLU  14   1.803  -9.545   8.486
   98   1HB   GLU  14          2HB       GLU  14   2.425 -11.522   7.065
   99   2HB   GLU  14          3HB       GLU  14   3.605 -10.495   6.254
  100   1HG   GLU  14          2HG       GLU  14   3.558 -10.786   9.260
  101   2HG   GLU  14          3HG       GLU  14   4.442 -11.917   8.239
  102    H    VAL  15           H        VAL  15   3.545  -8.493   5.546
  103    HA   VAL  15           HA       VAL  15   5.369  -6.856   6.911
  104    HB   VAL  15           HB       VAL  15   5.729  -5.803   4.624
  105   1HG1  VAL  15          1HG1      VAL  15   6.887  -7.869   5.584
  106   2HG1  VAL  15          2HG1      VAL  15   5.755  -8.832   4.634
  107   3HG1  VAL  15          3HG1      VAL  15   6.883  -7.744   3.825
  108   1HG2  VAL  15          1HG2      VAL  15   4.333  -7.913   3.212
  109   2HG2  VAL  15          2HG2      VAL  15   3.191  -6.948   4.141
  110   3HG2  VAL  15          3HG2      VAL  15   4.243  -6.171   2.963
  111    H    ILE  16           H        ILE  16   2.289  -6.001   5.317
  112    HA   ILE  16           HA       ILE  16   2.449  -3.231   5.638
  113    HB   ILE  16           HB       ILE  16   0.026  -5.047   5.699
  114   1HG1  ILE  16          2HG1      ILE  16   0.872  -3.197   3.475
  115   2HG1  ILE  16          3HG1      ILE  16   1.625  -4.783   3.629
  116   1HG2  ILE  16          1HG2      ILE  16   0.284  -2.030   5.625
  117   2HG2  ILE  16          2HG2      ILE  16  -1.164  -2.867   5.064
  118   3HG2  ILE  16          3HG2      ILE  16  -0.659  -3.009   6.748
  119   1HD1  ILE  16          1HD1      ILE  16  -1.309  -4.166   3.238
  120   2HD1  ILE  16          2HD1      ILE  16  -0.244  -5.067   2.160
  121   3HD1  ILE  16          3HD1      ILE  16  -0.723  -5.759   3.708
  122    H    GLU  17           H        GLU  17   0.968  -5.631   7.833
  123    HA   GLU  17           HA       GLU  17   0.216  -3.889   9.878
  124   1HB   GLU  17          2HB       GLU  17   1.023  -6.792   9.877
  125   2HB   GLU  17          3HB       GLU  17   0.563  -5.965  11.365
  126   1HG   GLU  17          2HG       GLU  17  -1.619  -5.459  10.520
  127   2HG   GLU  17          3HG       GLU  17  -1.170  -5.942   8.885
  128    H    ARG  18           H        ARG  18   3.341  -5.395   9.215
  129    HA   ARG  18           HA       ARG  18   4.612  -4.631  11.641
  130   1HB   ARG  18          2HB       ARG  18   5.433  -6.394  10.046
  131   2HB   ARG  18          3HB       ARG  18   5.926  -5.098   8.956
  132   1HG   ARG  18          2HG       ARG  18   7.706  -4.501  10.256
  133   2HG   ARG  18          3HG       ARG  18   6.837  -4.803  11.760
  134   1HD   ARG  18          2HD       ARG  18   7.341  -7.080  11.754
  135   2HD   ARG  18          3HD       ARG  18   7.606  -7.121  10.012
  136    HE   ARG  18           HE       ARG  18   9.564  -5.450  11.118
  137   1HH1  ARG  18          1HH2      ARG  18   8.517  -8.669  11.767
  138   2HH1  ARG  18          2HH2      ARG  18  10.116  -9.329  11.836
  139   1HH2  ARG  18          1HH1      ARG  18  11.670  -6.355  10.971
  140   2HH2  ARG  18          2HH1      ARG  18  11.900  -8.019  11.391
  141    H    LEU  19           H        LEU  19   4.723  -3.235   8.373
  142    HA   LEU  19           HA       LEU  19   6.199  -0.913   9.201
  143   1HB   LEU  19          2HB       LEU  19   4.938  -1.864   6.657
  144   2HB   LEU  19          3HB       LEU  19   5.398  -0.167   6.803
  145    HG   LEU  19           HG       LEU  19   7.698  -0.803   7.362
  146   1HD1  LEU  19          1HD1      LEU  19   7.414  -2.851   8.562
  147   2HD1  LEU  19          2HD1      LEU  19   6.573  -3.608   7.210
  148   3HD1  LEU  19          3HD1      LEU  19   8.300  -3.275   7.098
  149   1HD2  LEU  19          1HD2      LEU  19   7.465  -0.553   5.034
  150   2HD2  LEU  19          2HD2      LEU  19   8.187  -2.155   5.183
  151   3HD2  LEU  19          3HD2      LEU  19   6.456  -1.993   4.885
  152    H    ARG  20           H        ARG  20   2.879  -1.786   9.108
  153    HA   ARG  20           HA       ARG  20   1.349   0.337   8.623
  154   1HB   ARG  20          2HB       ARG  20   0.311  -1.588   9.539
  155   2HB   ARG  20          3HB       ARG  20   1.231  -1.468  11.034
  156   1HG   ARG  20          2HG       ARG  20   0.023   0.454  11.754
  157   2HG   ARG  20          3HG       ARG  20  -0.661   0.717  10.150
  158   1HD   ARG  20          2HD       ARG  20  -1.257  -1.638  11.966
  159   2HD   ARG  20          3HD       ARG  20  -2.334  -0.279  11.656
  160    HE   ARG  20           HE       ARG  20  -2.034  -2.566  10.007
  161   1HH1  ARG  20          1HH2      ARG  20  -0.820  -0.535   8.181
  162   2HH1  ARG  20          2HH2      ARG  20  -2.199   0.101   7.348
  163   1HH2  ARG  20          1HH1      ARG  20  -4.483  -1.126   9.653
  164   2HH2  ARG  20          2HH1      ARG  20  -4.276  -0.234   8.183
  165    HA   PRO  21           HA       PRO  21   2.214   2.405  13.058
  166   1HB   PRO  21          2HB       PRO  21   5.037   1.934  13.422
  167   2HB   PRO  21          3HB       PRO  21   3.701   1.481  14.493
  168   1HG   PRO  21          2HG       PRO  21   5.164  -0.141  12.543
  169   2HG   PRO  21          3HG       PRO  21   4.201  -0.645  13.939
  170   1HD   PRO  21          2HD       PRO  21   3.362  -1.027  11.382
  171   2HD   PRO  21          3HD       PRO  21   2.229  -0.733  12.720
  172    H    PHE  22           H        PHE  22   4.594   1.998  10.479
  173    HA   PHE  22           HA       PHE  22   5.527   4.725  10.583
  174   1HB   PHE  22          2HB       PHE  22   6.805   2.649   9.728
  175   2HB   PHE  22          3HB       PHE  22   5.867   2.851   8.249
  176    HD1  PHE  22           HD1      PHE  22   8.672   4.049  10.196
  177    HD2  PHE  22           HD2      PHE  22   5.953   5.080   7.033
  178    HE1  PHE  22           HE1      PHE  22  10.217   5.839   9.449
  179    HE2  PHE  22           HE2      PHE  22   7.497   6.871   6.289
  180    HZ   PHE  22           HZ       PHE  22   9.630   7.249   7.495
  181    H    LEU  23           H        LEU  23   3.518   2.822   8.322
  182    HA   LEU  23           HA       LEU  23   2.863   4.922   6.572
  183   1HB   LEU  23          2HB       LEU  23   1.554   2.310   7.281
  184   2HB   LEU  23          3HB       LEU  23   0.685   3.468   6.280
  185    HG   LEU  23           HG       LEU  23   2.015   1.797   4.957
  186   1HD1  LEU  23          1HD1      LEU  23   3.287   4.459   4.462
  187   2HD1  LEU  23          2HD1      LEU  23   2.535   3.345   3.322
  188   3HD1  LEU  23          3HD1      LEU  23   1.530   4.347   4.369
  189   1HD2  LEU  23          1HD2      LEU  23   4.401   1.837   4.979
  190   2HD2  LEU  23          2HD2      LEU  23   4.442   3.312   5.944
  191   3HD2  LEU  23          3HD2      LEU  23   3.920   1.793   6.674
  192    H    LEU  24           H        LEU  24   1.244   3.719   9.485
  193    HA   LEU  24           HA       LEU  24  -1.006   5.339   9.487
  194   1HB   LEU  24          2HB       LEU  24   0.046   3.472  11.184
  195   2HB   LEU  24          3HB       LEU  24   0.239   4.948  12.129
  196    HG   LEU  24           HG       LEU  24  -2.352   4.082  10.814
  197   1HD1  LEU  24          1HD1      LEU  24  -1.793   2.529  12.598
  198   2HD1  LEU  24          2HD1      LEU  24  -1.394   3.861  13.683
  199   3HD1  LEU  24          3HD1      LEU  24  -3.063   3.608  13.172
  200   1HD2  LEU  24          1HD2      LEU  24  -3.172   5.823  12.598
  201   2HD2  LEU  24          2HD2      LEU  24  -1.508   6.399  12.544
  202   3HD2  LEU  24          3HD2      LEU  24  -2.492   6.410  11.081
  203    H    ARG  25           H        ARG  25   2.234   6.025  10.745
  204    HA   ARG  25           HA       ARG  25   1.716   8.478  11.965
  205   1HB   ARG  25          2HB       ARG  25   4.182   7.368  10.631
  206   2HB   ARG  25          3HB       ARG  25   4.170   8.955  11.399
  207   1HG   ARG  25          2HG       ARG  25   3.114   6.589  12.916
  208   2HG   ARG  25          3HG       ARG  25   4.858   6.824  12.794
  209   1HD   ARG  25          2HD       ARG  25   3.126   9.145  13.575
  210   2HD   ARG  25          3HD       ARG  25   3.507   7.919  14.780
  211    HE   ARG  25           HE       ARG  25   5.944   8.517  13.735
  212   1HH1  ARG  25          1HH2      ARG  25   3.709  10.997  13.742
  213   2HH1  ARG  25          2HH2      ARG  25   4.551  12.016  14.863
  214   1HH2  ARG  25          1HH1      ARG  25   6.876   9.594  15.729
  215   2HH2  ARG  25          2HH1      ARG  25   6.344  11.222  15.986
  216    H    ASP  26           H        ASP  26   3.140   8.029   8.705
  217    HA   ASP  26           HA       ASP  26   2.226  10.747   8.034
  218   1HB   ASP  26          2HB       ASP  26   4.323   8.936   6.856
  219   2HB   ASP  26          3HB       ASP  26   3.777  10.397   6.037
  220    H    GLY  27           H        GLY  27   2.388   7.545   6.444
  221   1HA   GLY  27          1HA       GLY  27   0.667   8.305   4.299
  222   2HA   GLY  27          2HA       GLY  27   1.178   6.670   4.689
  223    H    GLY  28           H        GLY  28  -0.183   8.037   7.425
  224   1HA   GLY  28          1HA       GLY  28  -2.181   7.708   8.523
  225   2HA   GLY  28          2HA       GLY  28  -2.955   7.851   6.947
  226    H    ASP  29           H        ASP  29  -4.421   6.176   7.835
  227    HA   ASP  29           HA       ASP  29  -3.298   3.494   8.110
  228   1HB   ASP  29          2HB       ASP  29  -6.019   4.713   8.505
  229   2HB   ASP  29          3HB       ASP  29  -5.842   2.964   8.371
  230    H    CYS  30           H        CYS  30  -3.624   1.814   6.722
  231    HA   CYS  30           HA       CYS  30  -4.996   2.386   4.167
  232   1HB   CYS  30          2HB       CYS  30  -3.231   1.045   3.031
  233   2HB   CYS  30          3HB       CYS  30  -2.603   2.527   3.754
  234    HG   CYS  30           HG       CYS  30  -0.986   0.873   4.742
  235    H    THR  31           H        THR  31  -5.828   0.483   3.078
  236    HA   THR  31           HA       THR  31  -5.899  -1.998   4.620
  237    HB   THR  31           HB       THR  31  -8.471  -0.602   3.856
  238    HG1  THR  31           HG1      THR  31  -7.327  -0.925   6.425
  239   1HG2  THR  31          1HG2      THR  31  -7.845  -3.052   5.530
  240   2HG2  THR  31          2HG2      THR  31  -9.447  -2.339   5.350
  241   3HG2  THR  31          3HG2      THR  31  -8.633  -3.040   3.952
  242    H    LEU  32           H        LEU  32  -5.553  -3.588   3.242
  243    HA   LEU  32           HA       LEU  32  -5.902  -3.255   0.392
  244   1HB   LEU  32          2HB       LEU  32  -4.039  -4.580   1.500
  245   2HB   LEU  32          3HB       LEU  32  -5.247  -5.800   1.896
  246    HG   LEU  32           HG       LEU  32  -5.181  -4.878  -0.934
  247   1HD1  LEU  32          1HD1      LEU  32  -2.806  -5.052  -0.565
  248   2HD1  LEU  32          2HD1      LEU  32  -3.002  -6.555   0.337
  249   3HD1  LEU  32          3HD1      LEU  32  -3.314  -6.521  -1.398
  250   1HD2  LEU  32          1HD2      LEU  32  -6.754  -6.601  -0.300
  251   2HD2  LEU  32          2HD2      LEU  32  -5.487  -7.374  -1.250
  252   3HD2  LEU  32          3HD2      LEU  32  -5.492  -7.530   0.506
  253    H    VAL  33           H        VAL  33  -7.788  -3.568  -0.622
  254    HA   VAL  33           HA       VAL  33  -9.916  -5.045   0.743
  255    HB   VAL  33           HB       VAL  33 -10.401  -2.811  -0.189
  256   1HG1  VAL  33          1HG1      VAL  33 -10.451  -2.463  -2.593
  257   2HG1  VAL  33          2HG1      VAL  33  -8.837  -3.013  -2.142
  258   3HG1  VAL  33          3HG1      VAL  33  -9.977  -4.135  -2.884
  259   1HG2  VAL  33          1HG2      VAL  33 -11.871  -4.943  -1.756
  260   2HG2  VAL  33          2HG2      VAL  33 -12.124  -4.686  -0.030
  261   3HG2  VAL  33          3HG2      VAL  33 -12.500  -3.400  -1.178
  262    H    ASP  34           H        ASP  34  -7.859  -5.299  -2.111
  263    HA   ASP  34           HA       ASP  34  -8.530  -8.083  -2.383
  264   1HB   ASP  34          2HB       ASP  34 -10.425  -6.730  -3.533
  265   2HB   ASP  34          3HB       ASP  34  -9.225  -6.420  -4.786
  266    H    VAL  35           H        VAL  35  -7.057  -9.213  -3.545
  267    HA   VAL  35           HA       VAL  35  -4.787  -7.684  -4.663
  268    HB   VAL  35           HB       VAL  35  -4.299  -9.147  -2.685
  269   1HG1  VAL  35          1HG1      VAL  35  -4.415 -11.544  -2.890
  270   2HG1  VAL  35          2HG1      VAL  35  -5.999 -10.910  -3.335
  271   3HG1  VAL  35          3HG1      VAL  35  -4.875 -11.434  -4.590
  272   1HG2  VAL  35          1HG2      VAL  35  -3.037 -10.043  -5.296
  273   2HG2  VAL  35          2HG2      VAL  35  -2.564  -8.616  -4.377
  274   3HG2  VAL  35          3HG2      VAL  35  -2.332 -10.222  -3.690
  275    H    GLU  36           H        GLU  36  -4.027  -8.183  -6.710
  276    HA   GLU  36           HA       GLU  36  -5.009 -10.452  -8.184
  277   1HB   GLU  36          2HB       GLU  36  -6.883  -8.655  -8.205
  278   2HB   GLU  36          3HB       GLU  36  -5.824  -7.793  -9.321
  279   1HG   GLU  36          2HG       GLU  36  -5.706  -9.930 -10.690
  280   2HG   GLU  36          3HG       GLU  36  -6.986 -10.570  -9.662
  281    H    ASP  37           H        ASP  37  -2.968 -10.984  -8.736
  282    HA   ASP  37           HA       ASP  37  -0.906 -10.892  -9.746
  283   1HB   ASP  37          2HB       ASP  37  -2.501  -9.193 -11.678
  284   2HB   ASP  37          3HB       ASP  37  -0.929  -9.910 -12.021
  285    H    GLY  38           H        GLY  38  -1.790  -7.707 -10.921
  286   1HA   GLY  38          1HA       GLY  38   0.221  -6.493  -9.120
  287   2HA   GLY  38          2HA       GLY  38   0.186  -6.126 -10.839
  288    H    ILE  39           H        ILE  39  -2.921  -6.432 -10.423
  289    HA   ILE  39           HA       ILE  39  -3.358  -3.585 -10.005
  290    HB   ILE  39           HB       ILE  39  -5.408  -5.715 -10.653
  291   1HG1  ILE  39          2HG1      ILE  39  -5.028  -4.672 -13.035
  292   2HG1  ILE  39          3HG1      ILE  39  -3.449  -4.223 -12.392
  293   1HG2  ILE  39          1HG2      ILE  39  -5.325  -2.700 -11.000
  294   2HG2  ILE  39          2HG2      ILE  39  -6.593  -3.741 -11.648
  295   3HG2  ILE  39          3HG2      ILE  39  -6.370  -3.604  -9.904
  296   1HD1  ILE  39          1HD1      ILE  39  -4.035  -6.651 -13.541
  297   2HD1  ILE  39          2HD1      ILE  39  -2.694  -6.364 -12.433
  298   3HD1  ILE  39          3HD1      ILE  39  -4.217  -7.012 -11.825
  299    H    VAL  40           H        VAL  40  -2.559  -4.152  -7.686
  300    HA   VAL  40           HA       VAL  40  -4.527  -5.334  -5.940
  301    HB   VAL  40           HB       VAL  40  -1.776  -4.336  -5.710
  302   1HG1  VAL  40          1HG1      VAL  40  -2.029  -4.022  -3.196
  303   2HG1  VAL  40          2HG1      VAL  40  -2.668  -2.708  -4.182
  304   3HG1  VAL  40          3HG1      VAL  40  -3.766  -3.890  -3.466
  305   1HG2  VAL  40          1HG2      VAL  40  -3.227  -6.285  -3.925
  306   2HG2  VAL  40          2HG2      VAL  40  -2.772  -6.730  -5.570
  307   3HG2  VAL  40          3HG2      VAL  40  -1.529  -6.283  -4.401
  308    H    LYS  41           H        LYS  41  -6.193  -4.377  -5.031
  309    HA   LYS  41           HA       LYS  41  -6.574  -1.499  -5.329
  310   1HB   LYS  41          2HB       LYS  41  -8.339  -3.765  -4.404
  311   2HB   LYS  41          3HB       LYS  41  -8.823  -2.077  -4.246
  312   1HG   LYS  41          2HG       LYS  41  -8.848  -1.735  -6.575
  313   2HG   LYS  41          3HG       LYS  41  -7.860  -3.162  -6.888
  314   1HD   LYS  41          2HD       LYS  41  -9.699  -4.624  -6.194
  315   2HD   LYS  41          3HD       LYS  41 -10.688  -3.221  -5.787
  316   1HE   LYS  41          2HE       LYS  41 -10.917  -2.575  -8.047
  317   2HE   LYS  41          3HE       LYS  41  -9.550  -3.565  -8.562
  318   1HZ   LYS  41          1HZ       LYS  41 -12.080  -4.322  -8.817
  319   1HZ   LYS  41          1HZ       LYS  41 -11.746  -4.978  -7.287
  320   3HZ   LYS  41          3HZ       LYS  41 -10.799  -5.417  -8.628
  321    H    LEU  42           H        LEU  42  -6.896  -0.083  -3.567
  322    HA   LEU  42           HA       LEU  42  -6.339  -1.116  -0.875
  323   1HB   LEU  42          2HB       LEU  42  -4.570   0.663  -2.469
  324   2HB   LEU  42          3HB       LEU  42  -4.801   1.091  -0.774
  325    HG   LEU  42           HG       LEU  42  -4.186  -1.761  -1.492
  326   1HD1  LEU  42          1HD1      LEU  42  -1.778  -1.271  -1.343
  327   2HD1  LEU  42          2HD1      LEU  42  -2.506  -0.397  -2.691
  328   3HD1  LEU  42          3HD1      LEU  42  -2.131   0.451  -1.192
  329   1HD2  LEU  42          1HD2      LEU  42  -3.352  -0.023   0.851
  330   2HD2  LEU  42          2HD2      LEU  42  -4.815  -1.004   0.837
  331   3HD2  LEU  42          3HD2      LEU  42  -3.234  -1.779   0.737
  332    H    GLN  43           H        GLN  43  -6.604   0.632   0.787
  333    HA   GLN  43           HA       GLN  43  -8.438   2.780  -0.021
  334   1HB   GLN  43          2HB       GLN  43  -9.089   0.463   1.746
  335   2HB   GLN  43          3HB       GLN  43  -9.711   2.047   2.206
  336   1HG   GLN  43          2HG       GLN  43 -11.413   1.220   0.826
  337   2HG   GLN  43          3HG       GLN  43 -10.472   2.215  -0.280
  338   1HE2  GLN  43          2HE2      GLN  43 -11.395   0.759  -2.016
  339   2HE2  GLN  43          1HE2      GLN  43 -10.651  -0.739  -2.299
  340    H    LEU  44           H        LEU  44  -7.702   4.606   0.814
  341    HA   LEU  44           HA       LEU  44  -5.772   4.552   2.990
  342   1HB   LEU  44          2HB       LEU  44  -5.938   6.099   0.787
  343   2HB   LEU  44          3HB       LEU  44  -6.775   7.140   1.938
  344    HG   LEU  44           HG       LEU  44  -4.839   6.922   3.496
  345   1HD1  LEU  44          1HD1      LEU  44  -3.561   5.075   3.119
  346   2HD1  LEU  44          2HD1      LEU  44  -4.006   4.998   1.414
  347   3HD1  LEU  44          3HD1      LEU  44  -2.731   6.096   1.945
  348   1HD2  LEU  44          1HD2      LEU  44  -4.881   8.864   2.078
  349   2HD2  LEU  44          2HD2      LEU  44  -3.228   8.249   2.047
  350   3HD2  LEU  44          3HD2      LEU  44  -4.312   7.937   0.690
  351    H    HIS  45           H        HIS  45  -5.973   6.248   4.720
  352    HA   HIS  45           HA       HIS  45  -8.613   7.068   5.530
  353   1HB   HIS  45          2HB       HIS  45  -7.384   4.605   6.637
  354   2HB   HIS  45          3HB       HIS  45  -8.058   5.725   7.819
  355    HD1  HIS  45           HD1      HIS  45 -10.604   6.630   7.037
  356    HD2  HIS  45           HD2      HIS  45  -9.326   2.918   5.634
  357    HE1  HIS  45           HE1      HIS  45 -12.685   5.384   6.306
  358    H    GLY  46           H        GLY  46  -7.232   8.996   5.263
  359   1HA   GLY  46          1HA       GLY  46  -6.316   9.953   7.803
  360   2HA   GLY  46          2HA       GLY  46  -4.980   9.680   6.686
  361    H    ALA  47           H        ALA  47  -8.181  10.621   5.645
  362    HA   ALA  47           HA       ALA  47  -7.143  12.927   4.262
  363   1HB   ALA  47          1HB       ALA  47  -8.922  11.553   3.274
  364   2HB   ALA  47          2HB       ALA  47  -9.990  11.961   4.617
  365   3HB   ALA  47          3HB       ALA  47  -9.463  13.216   3.496
  366    H    CYS  48           H        CYS  48  -7.798  12.482   7.424
  367    HA   CYS  48           HA       CYS  48  -9.407  14.744   8.070
  368   1HB   CYS  48          2HB       CYS  48  -9.052  12.790   9.582
  369   2HB   CYS  48          3HB       CYS  48  -7.390  13.321   9.822
  370    HG   CYS  48           HG       CYS  48  -9.335  14.296  11.593
  371    H    GLY  49           H        GLY  49  -8.260  16.230   6.566
  372   1HA   GLY  49          1HA       GLY  49  -6.594  18.036   8.011
  373   2HA   GLY  49          2HA       GLY  49  -5.657  17.148   6.810
  374    H    THR  50           H        THR  50  -9.039  18.065   6.526
  375    HA   THR  50           HA       THR  50 -10.151  19.148   4.828
  376    HB   THR  50           HB       THR  50  -9.528  21.512   4.607
  377    HG1  THR  50           HG1      THR  50  -7.473  21.877   4.690
  378   1HG2  THR  50          1HG2      THR  50  -9.369  21.998   7.145
  379   2HG2  THR  50          2HG2      THR  50 -10.771  21.097   6.569
  380   3HG2  THR  50          3HG2      THR  50  -9.432  20.248   7.343
  381    H    CYS  51           H        CYS  51  -9.262  17.411   3.369
  382    HA   CYS  51           HA       CYS  51  -8.401  16.759   1.345
  383   1HB   CYS  51          2HB       CYS  51  -8.284  19.695   0.653
  384   2HB   CYS  51          3HB       CYS  51  -8.540  18.328  -0.430
  385    HG   CYS  51           HG       CYS  51 -10.740  18.399   1.629
  386    HA   PRO  52           HA       PRO  52  -4.101  17.785   2.659
  387   1HB   PRO  52          2HB       PRO  52  -3.500  14.972   2.485
  388   2HB   PRO  52          3HB       PRO  52  -3.562  15.993   3.927
  389   1HG   PRO  52          2HG       PRO  52  -5.342  13.965   3.278
  390   2HG   PRO  52          3HG       PRO  52  -5.595  15.226   4.491
  391   1HD   PRO  52          2HD       PRO  52  -6.758  14.981   1.776
  392   2HD   PRO  52          3HD       PRO  52  -7.378  15.845   3.199
  393    H    SER  53           H        SER  53  -2.952  18.564   1.003
  394    HA   SER  53           HA       SER  53  -3.008  17.322  -1.618
  395   1HB   SER  53          2HB       SER  53  -1.582  19.235  -2.266
  396   2HB   SER  53          3HB       SER  53  -3.040  19.763  -1.429
  397    HG   SER  53           HG       SER  53  -1.266  20.815  -0.551
  398    H    SER  54           H        SER  54  -1.053  17.225   1.199
  399    HA   SER  54           HA       SER  54   1.402  16.457  -0.094
  400   1HB   SER  54          2HB       SER  54   2.319  16.431   2.022
  401   2HB   SER  54          3HB       SER  54   0.958  17.513   2.291
  402    HG   SER  54           HG       SER  54   0.980  15.918   3.875
  403    H    THR  55           H        THR  55  -1.237  14.761   1.578
  404    HA   THR  55           HA       THR  55  -0.191  12.186   1.646
  405    HB   THR  55           HB       THR  55  -3.064  12.970   1.080
  406    HG1  THR  55           HG1      THR  55  -1.695  12.482   3.513
  407   1HG2  THR  55          1HG2      THR  55  -1.832  10.454   2.238
  408   2HG2  THR  55          2HG2      THR  55  -3.561  10.791   2.161
  409   3HG2  THR  55          3HG2      THR  55  -2.634  10.592   0.673
  410    H    ILE  56           H        ILE  56  -1.863  13.860  -0.989
  411    HA   ILE  56           HA       ILE  56  -1.998  11.718  -2.812
  412    HB   ILE  56           HB       ILE  56  -1.521  14.519  -3.773
  413   1HG1  ILE  56          2HG1      ILE  56  -2.967  14.938  -1.889
  414   2HG1  ILE  56          3HG1      ILE  56  -3.981  14.956  -3.328
  415   1HG2  ILE  56          1HG2      ILE  56  -3.042  13.898  -5.487
  416   2HG2  ILE  56          2HG2      ILE  56  -2.036  12.471  -5.239
  417   3HG2  ILE  56          3HG2      ILE  56  -3.661  12.534  -4.556
  418   1HD1  ILE  56          1HD1      ILE  56  -5.255  13.565  -2.002
  419   2HD1  ILE  56          2HD1      ILE  56  -4.209  12.355  -2.745
  420   3HD1  ILE  56          3HD1      ILE  56  -3.860  12.948  -1.121
  421    H    THR  57           H        THR  57   0.474  14.212  -2.307
  422    HA   THR  57           HA       THR  57   2.219  13.380  -4.377
  423    HB   THR  57           HB       THR  57   2.682  14.952  -1.833
  424    HG1  THR  57           HG1      THR  57   1.485  16.050  -3.322
  425   1HG2  THR  57          1HG2      THR  57   4.846  14.202  -2.236
  426   2HG2  THR  57          2HG2      THR  57   4.579  14.044  -3.973
  427   3HG2  THR  57          3HG2      THR  57   4.799  15.640  -3.255
  428    H    LEU  58           H        LEU  58   2.131  12.638  -0.889
  429    HA   LEU  58           HA       LEU  58   4.435  11.047  -0.771
  430   1HB   LEU  58          2HB       LEU  58   3.096  11.871   1.197
  431   2HB   LEU  58          3HB       LEU  58   1.901  10.625   0.835
  432    HG   LEU  58           HG       LEU  58   3.744   8.911   1.012
  433   1HD1  LEU  58          1HD1      LEU  58   5.713   9.920   2.480
  434   2HD1  LEU  58          2HD1      LEU  58   5.777   9.993   0.720
  435   3HD1  LEU  58          3HD1      LEU  58   5.276  11.409   1.644
  436   1HD2  LEU  58          1HD2      LEU  58   2.180   9.465   2.895
  437   2HD2  LEU  58          2HD2      LEU  58   3.756   8.899   3.445
  438   3HD2  LEU  58          3HD2      LEU  58   3.372  10.620   3.493
  439    H    LYS  59           H        LYS  59   1.038  10.077  -1.277
  440    HA   LYS  59           HA       LYS  59   1.363   7.341  -1.576
  441   1HB   LYS  59          2HB       LYS  59  -0.841   8.385  -1.536
  442   2HB   LYS  59          3HB       LYS  59  -0.516   9.192  -3.070
  443   1HG   LYS  59          2HG       LYS  59  -0.341   7.022  -4.205
  444   2HG   LYS  59          3HG       LYS  59  -0.586   6.183  -2.673
  445   1HD   LYS  59          2HD       LYS  59  -2.742   6.168  -3.567
  446   2HD   LYS  59          3HD       LYS  59  -2.788   7.612  -2.556
  447   1HE   LYS  59          2HE       LYS  59  -3.650   8.435  -4.559
  448   2HE   LYS  59          3HE       LYS  59  -1.937   8.813  -4.744
  449   1HZ   LYS  59          1HZ       LYS  59  -3.125   6.280  -5.714
  450   1HZ   LYS  59          1HZ       LYS  59  -1.614   6.948  -6.109
  451   3HZ   LYS  59          3HZ       LYS  59  -3.041   7.674  -6.678
  452    H    ALA  60           H        ALA  60   1.559   9.854  -4.095
  453    HA   ALA  60           HA       ALA  60   2.203   8.144  -6.243
  454   1HB   ALA  60          1HB       ALA  60   1.459  10.448  -6.592
  455   2HB   ALA  60          2HB       ALA  60   2.921  11.055  -5.813
  456   3HB   ALA  60          3HB       ALA  60   3.032  10.196  -7.350
  457    H    GLY  61           H        GLY  61   4.132   9.538  -3.687
  458   1HA   GLY  61          1HA       GLY  61   6.699   9.174  -4.854
  459   2HA   GLY  61          2HA       GLY  61   6.362   9.355  -3.134
  460    H    ILE  62           H        ILE  62   5.024   7.267  -2.331
  461    HA   ILE  62           HA       ILE  62   6.862   5.135  -2.324
  462    HB   ILE  62           HB       ILE  62   4.964   3.860  -1.246
  463   1HG1  ILE  62          2HG1      ILE  62   3.535   6.494  -1.717
  464   2HG1  ILE  62          3HG1      ILE  62   3.078   4.924  -2.372
  465   1HG2  ILE  62          1HG2      ILE  62   5.208   5.019   0.789
  466   2HG2  ILE  62          2HG2      ILE  62   6.643   5.492  -0.120
  467   3HG2  ILE  62          3HG2      ILE  62   5.268   6.591  -0.011
  468   1HD1  ILE  62          1HD1      ILE  62   3.079   4.250   0.205
  469   2HD1  ILE  62          2HD1      ILE  62   2.791   5.978   0.409
  470   3HD1  ILE  62          3HD1      ILE  62   1.671   5.005  -0.543
  471    H    GLU  63           H        GLU  63   3.801   5.597  -4.077
  472    HA   GLU  63           HA       GLU  63   3.449   3.158  -5.280
  473   1HB   GLU  63          2HB       GLU  63   2.081   5.318  -5.557
  474   2HB   GLU  63          3HB       GLU  63   3.204   5.720  -6.855
  475   1HG   GLU  63          2HG       GLU  63   2.671   3.484  -7.899
  476   2HG   GLU  63          3HG       GLU  63   1.417   3.276  -6.678
  477    H    ARG  64           H        ARG  64   5.215   5.829  -6.871
  478    HA   ARG  64           HA       ARG  64   6.350   4.332  -8.929
  479   1HB   ARG  64          2HB       ARG  64   6.310   6.853  -8.704
  480   2HB   ARG  64          3HB       ARG  64   7.672   6.702  -7.593
  481   1HG   ARG  64          2HG       ARG  64   8.949   5.502  -9.366
  482   2HG   ARG  64          3HG       ARG  64   7.603   5.758 -10.477
  483   1HD   ARG  64          2HD       ARG  64   7.888   8.127 -10.431
  484   2HD   ARG  64          3HD       ARG  64   8.967   8.042  -9.043
  485    HE   ARG  64           HE       ARG  64  10.708   7.327 -10.474
  486   1HH1  ARG  64          1HH1      ARG  64   7.668   7.581 -12.128
  487   2HH1  ARG  64          2HH1      ARG  64   8.382   7.629 -13.706
  488   1HH2  ARG  64          1HH2      ARG  64  11.638   7.450 -12.532
  489   2HH2  ARG  64          2HH2      ARG  64  10.626   7.553 -13.934
  490    H    ALA  65           H        ALA  65   7.713   5.128  -5.738
  491    HA   ALA  65           HA       ALA  65  10.205   3.886  -6.046
  492   1HB   ALA  65          1HB       ALA  65   8.622   4.043  -3.475
  493   2HB   ALA  65          2HB       ALA  65  10.374   3.957  -3.650
  494   3HB   ALA  65          3HB       ALA  65   9.507   5.406  -4.160
  495    H    LEU  66           H        LEU  66   7.161   2.595  -4.733
  496    HA   LEU  66           HA       LEU  66   8.041   0.039  -4.045
  497   1HB   LEU  66          2HB       LEU  66   5.378   1.159  -4.866
  498   2HB   LEU  66          3HB       LEU  66   5.565  -0.577  -4.613
  499    HG   LEU  66           HG       LEU  66   6.627   1.303  -2.531
  500   1HD1  LEU  66          1HD1      LEU  66   4.445   1.374  -1.426
  501   2HD1  LEU  66          2HD1      LEU  66   4.316   2.084  -3.034
  502   3HD1  LEU  66          3HD1      LEU  66   3.723   0.450  -2.743
  503   1HD2  LEU  66          1HD2      LEU  66   6.961  -1.212  -2.513
  504   2HD2  LEU  66          2HD2      LEU  66   6.178  -0.566  -1.071
  505   3HD2  LEU  66          3HD2      LEU  66   5.216  -1.374  -2.310
  506    H    HIS  67           H        HIS  67   6.748   1.222  -7.142
  507    HA   HIS  67           HA       HIS  67   6.697  -1.179  -8.550
  508   1HB   HIS  67          2HB       HIS  67   7.381   1.592  -9.567
  509   2HB   HIS  67          3HB       HIS  67   6.965   0.216 -10.586
  510    HD1  HIS  67           HD1      HIS  67   4.958   2.040 -11.218
  511    HD2  HIS  67           HD2      HIS  67   4.717   0.128  -7.521
  512    HE1  HIS  67           HE1      HIS  67   2.560   2.277 -10.442
  513    H    GLU  68           H        GLU  68   9.341   1.224  -8.467
  514    HA   GLU  68           HA       GLU  68  11.186  -0.429  -9.875
  515   1HB   GLU  68          2HB       GLU  68  11.418   2.094  -8.261
  516   2HB   GLU  68          3HB       GLU  68  12.863   1.264  -8.839
  517   1HG   GLU  68          2HG       GLU  68  12.049   1.385 -11.146
  518   2HG   GLU  68          3HG       GLU  68  10.551   2.135 -10.600
  519    H    GLU  69           H        GLU  69  10.359  -0.084  -6.495
  520    HA   GLU  69           HA       GLU  69  12.702  -1.547  -5.579
  521   1HB   GLU  69          2HB       GLU  69  11.472   0.346  -4.317
  522   2HB   GLU  69          3HB       GLU  69  10.287  -0.891  -3.904
  523   1HG   GLU  69          2HG       GLU  69  11.757  -1.048  -2.102
  524   2HG   GLU  69          3HG       GLU  69  12.402  -2.281  -3.181
  525    H    VAL  70           H        VAL  70   9.670  -2.334  -6.841
  526    HA   VAL  70           HA       VAL  70  10.029  -5.137  -6.136
  527    HB   VAL  70           HB       VAL  70   7.290  -4.004  -5.647
  528   1HG1  VAL  70          1HG1      VAL  70   8.699  -6.241  -4.200
  529   2HG1  VAL  70          2HG1      VAL  70   6.970  -6.002  -4.444
  530   3HG1  VAL  70          3HG1      VAL  70   7.989  -6.507  -5.791
  531   1HG2  VAL  70          1HG2      VAL  70   9.507  -4.134  -3.573
  532   2HG2  VAL  70          2HG2      VAL  70   8.824  -2.648  -4.233
  533   3HG2  VAL  70          3HG2      VAL  70   7.822  -3.724  -3.260
  534    HA   PRO  71           HA       PRO  71   8.611  -3.769 -10.501
  535   1HB   PRO  71          2HB       PRO  71  10.344  -5.883 -11.412
  536   2HB   PRO  71          3HB       PRO  71  10.515  -4.139 -11.663
  537   1HG   PRO  71          2HG       PRO  71  11.844  -5.879  -9.727
  538   2HG   PRO  71          3HG       PRO  71  12.310  -4.277 -10.313
  539   1HD   PRO  71          2HD       PRO  71  11.382  -4.729  -7.784
  540   2HD   PRO  71          3HD       PRO  71  11.148  -3.188  -8.638
  541    H    GLY  72           H        GLY  72   7.058  -4.819 -11.663
  542   1HA   GLY  72          1HA       GLY  72   6.353  -7.196 -12.371
  543   2HA   GLY  72          2HA       GLY  72   6.153  -7.434 -10.637
  544    H    VAL  73           H        VAL  73   5.249  -4.690 -10.180
  545    HA   VAL  73           HA       VAL  73   2.456  -5.063 -10.513
  546    HB   VAL  73           HB       VAL  73   2.232  -2.906  -9.487
  547   1HG1  VAL  73          1HG1      VAL  73   4.788  -4.119  -8.400
  548   2HG1  VAL  73          2HG1      VAL  73   3.605  -3.159  -7.512
  549   3HG1  VAL  73          3HG1      VAL  73   3.180  -4.773  -8.084
  550   1HG2  VAL  73          1HG2      VAL  73   4.481  -1.594  -9.147
  551   2HG2  VAL  73          2HG2      VAL  73   5.015  -2.506 -10.556
  552   3HG2  VAL  73          3HG2      VAL  73   3.616  -1.438 -10.674
  553    H    ILE  74           H        ILE  74   1.007  -4.096 -11.857
  554    HA   ILE  74           HA       ILE  74   2.146  -2.848 -14.283
  555    HB   ILE  74           HB       ILE  74  -0.565  -3.969 -14.463
  556   1HG1  ILE  74          2HG1      ILE  74   1.821  -5.734 -13.835
  557   2HG1  ILE  74          3HG1      ILE  74   0.280  -5.671 -12.982
  558   1HG2  ILE  74          1HG2      ILE  74   0.983  -3.109 -16.317
  559   2HG2  ILE  74          2HG2      ILE  74   1.913  -4.590 -16.084
  560   3HG2  ILE  74          3HG2      ILE  74   0.228  -4.678 -16.600
  561   1HD1  ILE  74          1HD1      ILE  74   0.893  -6.845 -15.682
  562   2HD1  ILE  74          2HD1      ILE  74   0.024  -7.569 -14.329
  563   3HD1  ILE  74          3HD1      ILE  74  -0.746  -6.314 -15.302
  564    H    GLU  75           H        GLU  75  -0.241  -2.656 -11.760
  565    HA   GLU  75           HA       GLU  75  -0.663   0.149 -12.207
  566   1HB   GLU  75          2HB       GLU  75  -2.460  -1.734 -13.475
  567   2HB   GLU  75          3HB       GLU  75  -3.325  -0.796 -12.260
  568   1HG   GLU  75          2HG       GLU  75  -1.496   0.532 -14.263
  569   2HG   GLU  75          3HG       GLU  75  -3.183   0.192 -14.642
  570    H    VAL  76           H        VAL  76  -2.411   0.954 -10.618
  571    HA   VAL  76           HA       VAL  76  -2.832  -0.811  -8.333
  572    HB   VAL  76           HB       VAL  76  -0.562   0.275  -8.043
  573   1HG1  VAL  76          1HG1      VAL  76  -0.389   2.602  -7.646
  574   2HG1  VAL  76          2HG1      VAL  76  -1.433   2.486  -9.062
  575   3HG1  VAL  76          3HG1      VAL  76  -2.133   2.792  -7.472
  576   1HG2  VAL  76          1HG2      VAL  76  -0.914   0.672  -5.708
  577   2HG2  VAL  76          2HG2      VAL  76  -2.590   1.154  -5.970
  578   3HG2  VAL  76          3HG2      VAL  76  -2.114  -0.531  -6.177
  579    H    GLU  77           H        GLU  77  -4.303   0.101  -6.751
  580    HA   GLU  77           HA       GLU  77  -5.805   2.471  -7.636
  581   1HB   GLU  77          2HB       GLU  77  -6.989  -0.278  -7.188
  582   2HB   GLU  77          3HB       GLU  77  -7.951   1.198  -7.236
  583   1HG   GLU  77          2HG       GLU  77  -7.036   1.671  -9.514
  584   2HG   GLU  77          3HG       GLU  77  -6.198   0.122  -9.464
  585    H    GLN  78           H        GLN  78  -5.869   3.776  -5.946
  586    HA   GLN  78           HA       GLN  78  -6.282   2.616  -3.256
  587   1HB   GLN  78          2HB       GLN  78  -3.956   3.774  -3.981
  588   2HB   GLN  78          3HB       GLN  78  -4.848   5.211  -3.485
  589   1HG   GLN  78          2HG       GLN  78  -5.475   3.739  -1.389
  590   2HG   GLN  78          3HG       GLN  78  -4.040   2.826  -1.853
  591   1HE2  GLN  78          2HE2      GLN  78  -5.081   6.214  -1.185
  592   2HE2  GLN  78          1HE2      GLN  78  -3.579   6.702  -0.563
  593    H    VAL  79           H        VAL  79  -8.528   2.949  -3.494
  594    HA   VAL  79           HA       VAL  79  -9.501   5.665  -3.941
  595    HB   VAL  79           HB       VAL  79 -11.711   4.680  -3.941
  596   1HG1  VAL  79          1HG1      VAL  79 -10.170   4.381  -5.940
  597   2HG1  VAL  79          2HG1      VAL  79  -9.857   2.747  -5.355
  598   3HG1  VAL  79          3HG1      VAL  79 -11.489   3.216  -5.832
  599   1HG2  VAL  79          1HG2      VAL  79 -10.250   2.292  -2.804
  600   2HG2  VAL  79          2HG2      VAL  79 -11.672   3.112  -2.163
  601   3HG2  VAL  79          3HG2      VAL  79 -11.807   2.111  -3.610
  602    H    PHE  80           H        PHE  80 -11.483   6.191  -2.434
  603    HA   PHE  80           HA       PHE  80 -10.500   6.024   0.351
  604   1HB   PHE  80          2HB       PHE  80 -12.288   8.115  -0.918
  605   2HB   PHE  80          3HB       PHE  80 -11.677   8.130   0.734
  606    HD1  PHE  80           HD1      PHE  80 -11.110   9.355  -2.504
  607    HD2  PHE  80           HD2      PHE  80  -9.010   7.783   0.901
  608    HE1  PHE  80           HE1      PHE  80  -9.027  10.450  -3.282
  609    HE2  PHE  80           HE2      PHE  80  -6.927   8.880   0.121
  610    HZ   PHE  80           HZ       PHE  80  -6.936  10.213  -1.971
  611    H    LEU  81           H        LEU  81 -11.934   5.486   1.992
  612    HA   LEU  81           HA       LEU  81 -14.116   3.795   1.266
  613   1HB   LEU  81          2HB       LEU  81 -12.579   3.744   3.382
  614   2HB   LEU  81          3HB       LEU  81 -13.746   4.888   4.040
  615    HG   LEU  81           HG       LEU  81 -15.484   3.085   3.094
  616   1HD1  LEU  81          1HD1      LEU  81 -14.689   0.857   3.126
  617   2HD1  LEU  81          2HD1      LEU  81 -13.444   1.738   2.243
  618   3HD1  LEU  81          3HD1      LEU  81 -13.189   1.312   3.935
  619   1HD2  LEU  81          1HD2      LEU  81 -15.396   3.787   5.422
  620   2HD2  LEU  81          2HD2      LEU  81 -15.428   2.025   5.372
  621   3HD2  LEU  81          3HD2      LEU  81 -13.911   2.871   5.682
  622    H    GLU  82           H        GLU  82 -15.271   5.409  -0.052
  623    HA   GLU  82           HA       GLU  82 -16.931   6.955  -0.425
  624   1HB   GLU  82          2HB       GLU  82 -17.828   5.722   2.188
  625   2HB   GLU  82          3HB       GLU  82 -18.833   6.805   1.225
  626   1HG   GLU  82          2HG       GLU  82 -17.558   4.444  -0.116
  627   2HG   GLU  82          3HG       GLU  82 -18.984   4.184   0.885
  628    H    HIS  83           H        HIS  83 -14.988   8.479   0.106
  629    HA   HIS  83           HA       HIS  83 -15.482  10.082   2.513
  630   1HB   HIS  83          2HB       HIS  83 -13.247   9.984   0.492
  631   2HB   HIS  83          3HB       HIS  83 -13.392  11.309   1.646
  632    HD1  HIS  83           HD1      HIS  83 -14.653   8.246   3.124
  633    HD2  HIS  83           HD2      HIS  83 -10.888   9.980   2.670
  634    HE1  HIS  83           HE1      HIS  83 -13.130   7.091   4.783
  635    H    HIS  84           H        HIS  84 -17.613  10.664   1.459
  636    HA   HIS  84           HA       HIS  84 -17.329  13.284   0.238
  637   1HB   HIS  84          2HB       HIS  84 -17.367  11.712  -1.709
  638   2HB   HIS  84          3HB       HIS  84 -18.949  11.147  -1.174
  639    HD1  HIS  84           HD1      HIS  84 -18.042  14.770  -0.846
  640    HD2  HIS  84           HD2      HIS  84 -20.256  12.349  -3.418
  641    HE1  HIS  84           HE1      HIS  84 -19.388  16.331  -2.318
  642    H    HIS  85           H        HIS  85 -19.754  10.732   0.842
  643    HA   HIS  85           HA       HIS  85 -21.615  12.736   1.896
  644   1HB   HIS  85          2HB       HIS  85 -22.086   9.760   1.639
  645   2HB   HIS  85          3HB       HIS  85 -23.290  11.042   1.765
  646    HD1  HIS  85           HD1      HIS  85 -23.697  12.516  -0.358
  647    HD2  HIS  85           HD2      HIS  85 -20.995   9.398  -0.952
  648    HE1  HIS  85           HE1      HIS  85 -23.375  12.313  -2.863
  649    H    HIS  86           H        HIS  86 -22.954  10.899   3.675
  650    HA   HIS  86           HA       HIS  86 -20.950  10.338   5.749
  651   1HB   HIS  86          2HB       HIS  86 -23.438  11.975   6.296
  652   2HB   HIS  86          3HB       HIS  86 -22.165  11.559   7.444
  653    HD1  HIS  86           HD1      HIS  86 -19.696  12.528   6.778
  654    HD2  HIS  86           HD2      HIS  86 -22.962  14.336   4.925
  655    HE1  HIS  86           HE1      HIS  86 -18.863  14.733   5.852
  656    H    HIS  87           H        HIS  87 -22.673   9.724   7.807
  657    HA   HIS  87           HA       HIS  87 -23.808   7.218   6.844
  658   1HB   HIS  87          2HB       HIS  87 -23.442   8.367   9.620
  659   2HB   HIS  87          3HB       HIS  87 -24.150   6.786   9.292
  660    HD1  HIS  87           HD1      HIS  87 -21.163   8.335   7.523
  661    HD2  HIS  87           HD2      HIS  87 -22.032   5.131  10.046
  662    HE1  HIS  87           HE1      HIS  87 -19.048   6.953   7.680
  663    H    HIS  88           H        HIS  88 -24.880  10.350   7.262
  664    HA   HIS  88           HA       HIS  88 -26.948  11.339   7.293
  665   1HB   HIS  88          2HB       HIS  88 -28.169   8.665   6.636
  666   2HB   HIS  88          3HB       HIS  88 -28.680  10.271   6.120
  667    HD1  HIS  88           HD1      HIS  88 -27.156  11.473   4.308
  668    HD2  HIS  88           HD2      HIS  88 -26.237   7.465   4.991
  669    HE1  HIS  88           HE1      HIS  88 -25.683  10.739   2.384
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1   6.972 -28.794  -5.542
    2   2H    MET   1          2HT       MET   1   7.337 -30.038  -4.446
    3   3H    MET   1          3HT       MET   1   7.293 -28.424  -3.919
    4    HA   MET   1           HA       MET   1   4.859 -28.484  -4.743
    5   1HB   MET   1          2HB       MET   1   5.179 -30.753  -5.774
    6   2HB   MET   1          3HB       MET   1   5.405 -31.413  -4.155
    7   1HG   MET   1          2HG       MET   1   3.174 -30.924  -3.522
    8   2HG   MET   1          3HG       MET   1   2.947 -29.810  -4.870
    9   1HE   MET   1          1HE       MET   1   3.292 -34.331  -4.885
   10   2HE   MET   1          2HE       MET   1   2.101 -33.584  -3.824
   11   3HE   MET   1          3HE       MET   1   3.800 -33.143  -3.678
   12    HA   PRO   2           HA       PRO   2   5.697 -28.359  -0.191
   13   1HB   PRO   2          2HB       PRO   2   4.853 -25.598  -0.171
   14   2HB   PRO   2          3HB       PRO   2   6.470 -26.253   0.118
   15   1HG   PRO   2          2HG       PRO   2   5.716 -24.742  -2.067
   16   2HG   PRO   2          3HG       PRO   2   7.155 -25.765  -1.966
   17   1HD   PRO   2          2HD       PRO   2   4.560 -26.297  -3.341
   18   2HD   PRO   2          3HD       PRO   2   6.197 -26.852  -3.758
   19    H    THR   3           H        THR   3   3.304 -25.856  -0.768
   20    HA   THR   3           HA       THR   3   1.010 -27.571  -0.440
   21    HB   THR   3           HB       THR   3   1.649 -25.656   1.818
   22    HG1  THR   3           HG1      THR   3   1.500 -28.238   2.515
   23   1HG2  THR   3          1HG2      THR   3  -0.747 -26.018   1.400
   24   2HG2  THR   3          2HG2      THR   3  -0.502 -27.764   1.452
   25   3HG2  THR   3          3HG2      THR   3  -0.260 -26.794   2.906
   26    H    GLU   4           H        GLU   4   2.407 -24.338  -0.406
   27    HA   GLU   4           HA       GLU   4   1.692 -22.331  -1.266
   28   1HB   GLU   4          2HB       GLU   4  -0.307 -23.994  -2.822
   29   2HB   GLU   4          3HB       GLU   4   0.247 -22.364  -3.206
   30   1HG   GLU   4          2HG       GLU   4   2.610 -23.344  -3.307
   31   2HG   GLU   4          3HG       GLU   4   1.845 -24.931  -3.284
   32    H    ASN   5           H        ASN   5   0.249 -23.871   1.010
   33    HA   ASN   5           HA       ASN   5  -2.439 -23.090   1.114
   34   1HB   ASN   5          2HB       ASN   5  -0.589 -24.325   2.857
   35   2HB   ASN   5          3HB       ASN   5  -1.230 -22.935   3.731
   36   1HD2  ASN   5          2HD2      ASN   5  -3.869 -22.817   2.785
   37   2HD2  ASN   5          1HD2      ASN   5  -4.688 -24.241   3.212
   38    HA   PRO   6           HA       PRO   6  -1.021 -19.011   3.155
   39   1HB   PRO   6          2HB       PRO   6   1.831 -18.650   2.870
   40   2HB   PRO   6          3HB       PRO   6   0.900 -18.857   4.361
   41   1HG   PRO   6          2HG       PRO   6   2.701 -20.678   3.344
   42   2HG   PRO   6          3HG       PRO   6   1.427 -21.040   4.517
   43   1HD   PRO   6          2HD       PRO   6   1.492 -21.583   1.578
   44   2HD   PRO   6          3HD       PRO   6   0.728 -22.515   2.885
   45    H    THR   7           H        THR   7  -2.069 -18.298   1.243
   46    HA   THR   7           HA       THR   7  -0.634 -17.825  -1.197
   47    HB   THR   7           HB       THR   7  -2.700 -16.873  -2.005
   48    HG1  THR   7           HG1      THR   7  -4.024 -17.100   0.400
   49   1HG2  THR   7          1HG2      THR   7  -4.221 -18.708  -1.590
   50   2HG2  THR   7          2HG2      THR   7  -2.581 -19.357  -1.628
   51   3HG2  THR   7          3HG2      THR   7  -3.396 -19.108  -0.084
   52    H    MET   8           H        MET   8  -1.360 -15.384  -2.081
   53    HA   MET   8           HA       MET   8   0.574 -13.635  -1.131
   54   1HB   MET   8          2HB       MET   8  -1.940 -13.285  -2.725
   55   2HB   MET   8          3HB       MET   8  -1.084 -11.851  -2.159
   56   1HG   MET   8          2HG       MET   8  -0.396 -12.683  -4.462
   57   2HG   MET   8          3HG       MET   8   0.923 -12.488  -3.308
   58   1HE   MET   8          1HE       MET   8  -0.523 -16.194  -5.422
   59   2HE   MET   8          2HE       MET   8  -0.432 -14.513  -5.943
   60   3HE   MET   8          3HE       MET   8  -1.676 -15.005  -4.797
   61    H    PHE   9           H        PHE   9  -2.875 -13.783  -0.293
   62    HA   PHE   9           HA       PHE   9  -3.275 -11.632   1.300
   63   1HB   PHE   9          2HB       PHE   9  -4.804 -13.669   0.799
   64   2HB   PHE   9          3HB       PHE   9  -4.137 -14.336   2.288
   65    HD1  PHE   9           HD1      PHE   9  -4.467 -13.162   4.455
   66    HD2  PHE   9           HD2      PHE   9  -6.318 -11.786   0.828
   67    HE1  PHE   9           HE1      PHE   9  -6.023 -11.758   5.780
   68    HE2  PHE   9           HE2      PHE   9  -7.873 -10.384   2.155
   69    HZ   PHE   9           HZ       PHE   9  -7.726 -10.370   4.631
   70    H    ASP  10           H        ASP  10  -1.435 -14.506   2.155
   71    HA   ASP  10           HA       ASP  10  -1.114 -14.013   4.903
   72   1HB   ASP  10          2HB       ASP  10  -0.555 -16.149   3.714
   73   2HB   ASP  10          3HB       ASP  10   0.872 -15.355   3.055
   74    H    GLN  11           H        GLN  11   1.286 -13.446   2.324
   75    HA   GLN  11           HA       GLN  11   3.084 -11.936   3.875
   76   1HB   GLN  11          2HB       GLN  11   2.961 -12.891   1.248
   77   2HB   GLN  11          3HB       GLN  11   3.083 -11.141   1.084
   78   1HG   GLN  11          2HG       GLN  11   4.966 -11.314   2.861
   79   2HG   GLN  11          3HG       GLN  11   4.985 -13.031   2.460
   80   1HE2  GLN  11          2HE2      GLN  11   4.193 -12.311  -0.431
   81   2HE2  GLN  11          1HE2      GLN  11   5.643 -11.772  -1.127
   82    H    VAL  12           H        VAL  12   0.644 -10.737   1.534
   83    HA   VAL  12           HA       VAL  12   1.150  -8.041   1.835
   84    HB   VAL  12           HB       VAL  12  -1.137  -7.648   1.112
   85   1HG1  VAL  12          1HG1      VAL  12   0.569  -8.552  -0.461
   86   2HG1  VAL  12          2HG1      VAL  12  -0.063 -10.168  -0.142
   87   3HG1  VAL  12          3HG1      VAL  12  -1.090  -8.957  -0.907
   88   1HG2  VAL  12          1HG2      VAL  12  -2.568  -9.786   0.785
   89   2HG2  VAL  12          2HG2      VAL  12  -1.509 -10.503   1.996
   90   3HG2  VAL  12          3HG2      VAL  12  -2.491  -9.097   2.405
   91    H    ALA  13           H        ALA  13  -1.357  -9.871   3.598
   92    HA   ALA  13           HA       ALA  13  -2.043  -7.879   5.360
   93   1HB   ALA  13          1HB       ALA  13  -3.218 -10.074   5.121
   94   2HB   ALA  13          2HB       ALA  13  -1.905 -10.826   6.029
   95   3HB   ALA  13          3HB       ALA  13  -2.931  -9.616   6.800
   96    H    GLU  14           H        GLU  14   0.618 -10.167   5.459
   97    HA   GLU  14           HA       GLU  14   1.532  -9.684   8.082
   98   1HB   GLU  14          2HB       GLU  14   2.233 -11.520   6.375
   99   2HB   GLU  14          3HB       GLU  14   3.418 -10.333   5.836
  100   1HG   GLU  14          2HG       GLU  14   3.097 -11.139   8.736
  101   2HG   GLU  14          3HG       GLU  14   4.226 -11.933   7.642
  102    H    VAL  15           H        VAL  15   2.913  -8.422   5.020
  103    HA   VAL  15           HA       VAL  15   4.719  -6.660   6.213
  104    HB   VAL  15           HB       VAL  15   4.638  -5.386   4.042
  105   1HG1  VAL  15          1HG1      VAL  15   4.843  -8.406   3.867
  106   2HG1  VAL  15          2HG1      VAL  15   5.560  -7.257   2.736
  107   3HG1  VAL  15          3HG1      VAL  15   6.125  -7.322   4.405
  108   1HG2  VAL  15          1HG2      VAL  15   3.293  -6.378   2.218
  109   2HG2  VAL  15          2HG2      VAL  15   2.565  -7.494   3.367
  110   3HG2  VAL  15          3HG2      VAL  15   2.259  -5.765   3.507
  111    H    ILE  16           H        ILE  16   1.329  -6.008   5.264
  112    HA   ILE  16           HA       ILE  16   1.276  -3.267   5.788
  113    HB   ILE  16           HB       ILE  16  -0.920  -5.288   6.329
  114   1HG1  ILE  16          2HG1      ILE  16  -0.374  -5.454   4.019
  115   2HG1  ILE  16          3HG1      ILE  16  -1.739  -4.348   4.073
  116   1HG2  ILE  16          1HG2      ILE  16  -2.385  -3.251   5.962
  117   2HG2  ILE  16          2HG2      ILE  16  -1.446  -3.227   7.454
  118   3HG2  ILE  16          3HG2      ILE  16  -0.924  -2.270   6.068
  119   1HD1  ILE  16          1HD1      ILE  16   1.180  -3.716   3.648
  120   2HD1  ILE  16          2HD1      ILE  16  -0.200  -3.281   2.639
  121   3HD1  ILE  16          3HD1      ILE  16   0.047  -2.476   4.188
  122    H    GLU  17           H        GLU  17   0.674  -5.970   8.018
  123    HA   GLU  17           HA       GLU  17   0.127  -4.540  10.337
  124   1HB   GLU  17          2HB       GLU  17  -0.039  -7.023  10.057
  125   2HB   GLU  17          3HB       GLU  17   1.718  -7.110  10.175
  126   1HG   GLU  17          2HG       GLU  17   1.686  -6.209  12.413
  127   2HG   GLU  17          3HG       GLU  17  -0.036  -5.844  12.297
  128    H    ARG  18           H        ARG  18   3.272  -5.569   9.044
  129    HA   ARG  18           HA       ARG  18   4.833  -4.489  11.165
  130   1HB   ARG  18          2HB       ARG  18   5.562  -6.268   9.539
  131   2HB   ARG  18          3HB       ARG  18   5.714  -5.004   8.318
  132   1HG   ARG  18          2HG       ARG  18   7.384  -3.842   9.639
  133   2HG   ARG  18          3HG       ARG  18   7.139  -4.943  10.996
  134   1HD   ARG  18          2HD       ARG  18   8.154  -5.760   8.257
  135   2HD   ARG  18          3HD       ARG  18   9.167  -5.519   9.678
  136    HE   ARG  18           HE       ARG  18   6.976  -7.468   9.874
  137   1HH1  ARG  18          1HH2      ARG  18  10.022  -6.740  11.001
  138   2HH1  ARG  18          2HH2      ARG  18  10.684  -8.332  10.834
  139   1HH2  ARG  18          1HH1      ARG  18   7.976  -9.563   9.056
  140   2HH2  ARG  18          2HH1      ARG  18   9.528  -9.928   9.734
  141    H    LEU  19           H        LEU  19   3.753  -3.219   8.052
  142    HA   LEU  19           HA       LEU  19   5.345  -0.841   8.158
  143   1HB   LEU  19          2HB       LEU  19   3.247  -1.973   6.407
  144   2HB   LEU  19          3HB       LEU  19   3.353  -0.214   6.428
  145    HG   LEU  19           HG       LEU  19   5.820  -0.412   5.996
  146   1HD1  LEU  19          1HD1      LEU  19   5.154  -3.327   5.471
  147   2HD1  LEU  19          2HD1      LEU  19   6.728  -2.557   5.277
  148   3HD1  LEU  19          3HD1      LEU  19   6.032  -2.747   6.886
  149   1HD2  LEU  19          1HD2      LEU  19   5.566  -0.763   3.650
  150   2HD2  LEU  19          2HD2      LEU  19   4.218  -1.876   3.886
  151   3HD2  LEU  19          3HD2      LEU  19   4.004  -0.154   4.197
  152    H    ARG  20           H        ARG  20   2.104  -1.687   9.223
  153    HA   ARG  20           HA       ARG  20   0.832   0.693   9.509
  154   1HB   ARG  20          2HB       ARG  20   0.806  -1.839  11.009
  155   2HB   ARG  20          3HB       ARG  20   0.193  -0.448  11.903
  156   1HG   ARG  20          2HG       ARG  20  -1.275   0.091   9.937
  157   2HG   ARG  20          3HG       ARG  20  -0.748  -1.418   9.189
  158   1HD   ARG  20          2HD       ARG  20  -1.547  -2.606  11.289
  159   2HD   ARG  20          3HD       ARG  20  -2.286  -1.083  11.774
  160    HE   ARG  20           HE       ARG  20  -2.997  -2.462   9.246
  161   1HH1  ARG  20          1HH1      ARG  20  -4.399  -2.770  12.078
  162   2HH1  ARG  20          2HH1      ARG  20  -5.827  -1.836  11.784
  163   1HH2  ARG  20          1HH2      ARG  20  -4.597  -0.372   8.893
  164   2HH2  ARG  20          2HH2      ARG  20  -5.938  -0.475   9.984
  165    HA   PRO  21           HA       PRO  21   2.858   1.537  13.921
  166   1HB   PRO  21          2HB       PRO  21   5.516   0.442  13.736
  167   2HB   PRO  21          3HB       PRO  21   4.246   0.056  14.907
  168   1HG   PRO  21          2HG       PRO  21   5.099  -1.416  12.549
  169   2HG   PRO  21          3HG       PRO  21   4.121  -1.952  13.921
  170   1HD   PRO  21          2HD       PRO  21   3.122  -1.554  11.386
  171   2HD   PRO  21          3HD       PRO  21   2.139  -1.465  12.863
  172    H    PHE  22           H        PHE  22   4.838   1.257  10.979
  173    HA   PHE  22           HA       PHE  22   6.384   3.625  11.520
  174   1HB   PHE  22          2HB       PHE  22   6.024   1.876   9.085
  175   2HB   PHE  22          3HB       PHE  22   6.985   3.352   9.035
  176    HD1  PHE  22           HD1      PHE  22   6.804  -0.093  10.253
  177    HD2  PHE  22           HD2      PHE  22   9.013   3.589  10.452
  178    HE1  PHE  22           HE1      PHE  22   8.723  -1.297  11.261
  179    HE2  PHE  22           HE2      PHE  22  10.930   2.382  11.461
  180    HZ   PHE  22           HZ       PHE  22  10.785  -0.061  11.865
  181    H    LEU  23           H        LEU  23   3.965   2.890   8.991
  182    HA   LEU  23           HA       LEU  23   3.632   5.535   8.107
  183   1HB   LEU  23          2HB       LEU  23   1.499   3.388   8.106
  184   2HB   LEU  23          3HB       LEU  23   1.628   4.767   7.016
  185    HG   LEU  23           HG       LEU  23   3.517   2.399   7.191
  186   1HD1  LEU  23          1HD1      LEU  23   2.737   1.865   4.997
  187   2HD1  LEU  23          2HD1      LEU  23   1.291   2.205   5.949
  188   3HD1  LEU  23          3HD1      LEU  23   1.917   3.418   4.833
  189   1HD2  LEU  23          1HD2      LEU  23   3.753   5.080   5.832
  190   2HD2  LEU  23          2HD2      LEU  23   4.979   4.177   6.722
  191   3HD2  LEU  23          3HD2      LEU  23   4.501   3.656   5.108
  192    H    LEU  24           H        LEU  24   1.870   3.658  10.539
  193    HA   LEU  24           HA       LEU  24  -0.130   5.443  11.238
  194   1HB   LEU  24          2HB       LEU  24  -0.080   3.221  12.178
  195   2HB   LEU  24          3HB       LEU  24   1.471   3.530  12.955
  196    HG   LEU  24           HG       LEU  24   0.440   5.223  14.400
  197   1HD1  LEU  24          1HD1      LEU  24  -1.297   6.197  13.163
  198   2HD1  LEU  24          2HD1      LEU  24  -1.953   4.637  12.672
  199   3HD1  LEU  24          3HD1      LEU  24  -2.178   5.207  14.325
  200   1HD2  LEU  24          1HD2      LEU  24  -1.295   2.740  14.427
  201   2HD2  LEU  24          2HD2      LEU  24   0.388   2.730  14.954
  202   3HD2  LEU  24          3HD2      LEU  24  -0.796   3.724  15.803
  203    H    ARG  25           H        ARG  25   3.237   5.318  12.307
  204    HA   ARG  25           HA       ARG  25   3.129   7.320  14.259
  205   1HB   ARG  25          2HB       ARG  25   5.232   5.973  12.699
  206   2HB   ARG  25          3HB       ARG  25   5.655   7.588  13.259
  207   1HG   ARG  25          2HG       ARG  25   5.336   7.018  15.528
  208   2HG   ARG  25          3HG       ARG  25   4.399   5.579  15.124
  209   1HD   ARG  25          2HD       ARG  25   6.286   4.342  14.547
  210   2HD   ARG  25          3HD       ARG  25   7.236   5.775  14.172
  211    HE   ARG  25           HE       ARG  25   7.890   5.851  16.393
  212   1HH1  ARG  25          1HH2      ARG  25   4.932   4.070  16.107
  213   2HH1  ARG  25          2HH2      ARG  25   5.000   3.435  17.716
  214   1HH2  ARG  25          1HH1      ARG  25   8.033   4.934  18.470
  215   2HH2  ARG  25          2HH1      ARG  25   6.754   3.923  19.052
  216    H    ASP  26           H        ASP  26   4.112   7.639  10.811
  217    HA   ASP  26           HA       ASP  26   3.833  10.557  11.120
  218   1HB   ASP  26          2HB       ASP  26   5.067   8.959   8.874
  219   2HB   ASP  26          3HB       ASP  26   5.080  10.715   9.024
  220    H    GLY  27           H        GLY  27   3.006   8.157   8.562
  221   1HA   GLY  27          1HA       GLY  27   1.102   9.985   7.396
  222   2HA   GLY  27          2HA       GLY  27   1.436   8.343   6.864
  223    H    GLY  28           H        GLY  28   0.490   6.572   8.170
  224   1HA   GLY  28          1HA       GLY  28  -1.410   6.833  10.171
  225   2HA   GLY  28          2HA       GLY  28  -2.281   7.039   8.656
  226    H    ASP  29           H        ASP  29  -3.440   5.140   8.675
  227    HA   ASP  29           HA       ASP  29  -1.892   2.625   8.776
  228   1HB   ASP  29          2HB       ASP  29  -4.655   3.372   9.607
  229   2HB   ASP  29          3HB       ASP  29  -4.399   1.741   8.992
  230    H    CYS  30           H        CYS  30  -2.735   0.862   7.410
  231    HA   CYS  30           HA       CYS  30  -3.779   1.835   4.819
  232   1HB   CYS  30          2HB       CYS  30  -1.397   1.433   4.558
  233   2HB   CYS  30          3HB       CYS  30  -1.546  -0.155   5.309
  234    HG   CYS  30           HG       CYS  30  -2.873   0.530   2.555
  235    H    THR  31           H        THR  31  -4.900   0.182   3.562
  236    HA   THR  31           HA       THR  31  -5.682  -2.249   4.981
  237    HB   THR  31           HB       THR  31  -7.727  -0.186   4.123
  238    HG1  THR  31           HG1      THR  31  -6.533   0.265   6.071
  239   1HG2  THR  31          1HG2      THR  31  -7.907  -2.978   5.256
  240   2HG2  THR  31          2HG2      THR  31  -9.223  -1.820   5.451
  241   3HG2  THR  31          3HG2      THR  31  -8.717  -2.316   3.836
  242    H    LEU  32           H        LEU  32  -5.650  -3.850   3.570
  243    HA   LEU  32           HA       LEU  32  -5.452  -3.457   0.750
  244   1HB   LEU  32          2HB       LEU  32  -4.733  -5.461   2.418
  245   2HB   LEU  32          3HB       LEU  32  -6.241  -6.125   1.795
  246    HG   LEU  32           HG       LEU  32  -3.968  -5.084   0.076
  247   1HD1  LEU  32          1HD1      LEU  32  -3.696  -7.295   1.461
  248   2HD1  LEU  32          2HD1      LEU  32  -4.827  -7.960   0.282
  249   3HD1  LEU  32          3HD1      LEU  32  -3.283  -7.299  -0.253
  250   1HD2  LEU  32          1HD2      LEU  32  -6.690  -6.238  -0.481
  251   2HD2  LEU  32          2HD2      LEU  32  -5.887  -4.864  -1.242
  252   3HD2  LEU  32          3HD2      LEU  32  -5.378  -6.506  -1.630
  253    H    VAL  33           H        VAL  33  -7.034  -3.284  -0.722
  254    HA   VAL  33           HA       VAL  33  -9.812  -3.644   0.161
  255    HB   VAL  33           HB       VAL  33  -8.562  -2.204  -2.180
  256   1HG1  VAL  33          1HG1      VAL  33 -11.466  -2.841  -1.607
  257   2HG1  VAL  33          2HG1      VAL  33 -10.976  -1.493  -2.635
  258   3HG1  VAL  33          3HG1      VAL  33 -10.562  -3.145  -3.091
  259   1HG2  VAL  33          1HG2      VAL  33 -10.417  -1.131  -0.054
  260   2HG2  VAL  33          2HG2      VAL  33  -8.679  -1.241   0.222
  261   3HG2  VAL  33          3HG2      VAL  33  -9.302  -0.239  -1.088
  262    H    ASP  34           H        ASP  34  -7.563  -4.729  -2.379
  263    HA   ASP  34           HA       ASP  34  -9.181  -7.125  -2.735
  264   1HB   ASP  34          2HB       ASP  34 -10.158  -5.321  -4.241
  265   2HB   ASP  34          3HB       ASP  34  -8.646  -5.381  -5.142
  266    H    VAL  35           H        VAL  35  -7.774  -8.741  -2.754
  267    HA   VAL  35           HA       VAL  35  -4.995  -8.327  -3.498
  268    HB   VAL  35           HB       VAL  35  -5.643  -9.777  -1.570
  269   1HG1  VAL  35          1HG1      VAL  35  -6.569 -11.793  -3.621
  270   2HG1  VAL  35          2HG1      VAL  35  -6.773 -11.837  -1.869
  271   3HG1  VAL  35          3HG1      VAL  35  -7.698 -10.688  -2.835
  272   1HG2  VAL  35          1HG2      VAL  35  -3.520 -10.077  -2.997
  273   2HG2  VAL  35          2HG2      VAL  35  -4.004 -11.444  -1.994
  274   3HG2  VAL  35          3HG2      VAL  35  -4.345 -11.455  -3.724
  275    H    GLU  36           H        GLU  36  -3.983  -9.151  -5.329
  276    HA   GLU  36           HA       GLU  36  -5.422 -10.842  -7.183
  277   1HB   GLU  36          2HB       GLU  36  -5.893  -9.337  -8.852
  278   2HB   GLU  36          3HB       GLU  36  -6.171  -8.342  -7.430
  279   1HG   GLU  36          2HG       GLU  36  -3.848  -8.307  -9.330
  280   2HG   GLU  36          3HG       GLU  36  -4.839  -6.973  -8.766
  281    H    ASP  37           H        ASP  37  -3.956 -10.105  -9.496
  282    HA   ASP  37           HA       ASP  37  -1.436 -11.421  -8.879
  283   1HB   ASP  37          2HB       ASP  37  -3.212 -11.520 -11.003
  284   2HB   ASP  37          3HB       ASP  37  -1.841 -10.628 -11.651
  285    H    GLY  38           H        GLY  38  -2.474  -8.377 -10.422
  286   1HA   GLY  38          1HA       GLY  38  -0.010  -7.091  -9.564
  287   2HA   GLY  38          2HA       GLY  38  -0.182  -7.272 -11.304
  288    H    ILE  39           H        ILE  39  -2.973  -6.786  -9.278
  289    HA   ILE  39           HA       ILE  39  -3.067  -3.906  -9.860
  290    HB   ILE  39           HB       ILE  39  -5.524  -5.544 -10.455
  291   1HG1  ILE  39          2HG1      ILE  39  -4.690  -5.196 -12.946
  292   2HG1  ILE  39          3HG1      ILE  39  -3.095  -5.236 -12.198
  293   1HG2  ILE  39          1HG2      ILE  39  -4.687  -3.094 -11.940
  294   2HG2  ILE  39          2HG2      ILE  39  -6.296  -3.612 -11.436
  295   3HG2  ILE  39          3HG2      ILE  39  -5.191  -2.901 -10.261
  296   1HD1  ILE  39          1HD1      ILE  39  -4.688  -7.448 -12.899
  297   2HD1  ILE  39          2HD1      ILE  39  -3.206  -7.475 -11.943
  298   3HD1  ILE  39          3HD1      ILE  39  -4.770  -7.357 -11.140
  299    H    VAL  40           H        VAL  40  -2.549  -4.609  -7.438
  300    HA   VAL  40           HA       VAL  40  -4.831  -5.373  -5.864
  301    HB   VAL  40           HB       VAL  40  -2.222  -5.688  -5.465
  302   1HG1  VAL  40          1HG1      VAL  40  -2.813  -3.235  -3.800
  303   2HG1  VAL  40          2HG1      VAL  40  -1.290  -4.115  -3.915
  304   3HG1  VAL  40          3HG1      VAL  40  -1.881  -3.196  -5.298
  305   1HG2  VAL  40          1HG2      VAL  40  -3.553  -6.841  -3.965
  306   2HG2  VAL  40          2HG2      VAL  40  -2.899  -5.614  -2.883
  307   3HG2  VAL  40          3HG2      VAL  40  -4.513  -5.419  -3.562
  308    H    LYS  41           H        LYS  41  -6.321  -4.145  -4.967
  309    HA   LYS  41           HA       LYS  41  -6.094  -1.228  -5.162
  310   1HB   LYS  41          2HB       LYS  41  -8.444  -2.888  -4.207
  311   2HB   LYS  41          3HB       LYS  41  -8.455  -1.174  -4.629
  312   1HG   LYS  41          2HG       LYS  41  -7.527  -2.045  -6.939
  313   2HG   LYS  41          3HG       LYS  41  -8.254  -3.568  -6.431
  314   1HD   LYS  41          2HD       LYS  41 -10.403  -2.322  -6.017
  315   2HD   LYS  41          3HD       LYS  41  -9.651  -0.897  -6.736
  316   1HE   LYS  41          2HE       LYS  41  -9.388  -1.998  -8.854
  317   2HE   LYS  41          3HE       LYS  41  -9.833  -3.559  -8.166
  318   1HZ   LYS  41          1HZ       LYS  41 -11.611  -1.190  -8.367
  319   1HZ   LYS  41          1HZ       LYS  41 -12.040  -2.701  -7.718
  320   3HZ   LYS  41          3HZ       LYS  41 -11.672  -2.557  -9.370
  321    H    LEU  42           H        LEU  42  -6.142   0.121  -3.337
  322    HA   LEU  42           HA       LEU  42  -6.035  -1.200  -0.700
  323   1HB   LEU  42          2HB       LEU  42  -3.904   0.466  -1.993
  324   2HB   LEU  42          3HB       LEU  42  -4.107   0.516  -0.243
  325    HG   LEU  42           HG       LEU  42  -4.073  -2.189  -1.472
  326   1HD1  LEU  42          1HD1      LEU  42  -1.612  -0.427  -1.280
  327   2HD1  LEU  42          2HD1      LEU  42  -1.572  -2.173  -1.522
  328   3HD1  LEU  42          3HD1      LEU  42  -2.288  -1.128  -2.750
  329   1HD2  LEU  42          1HD2      LEU  42  -4.135  -1.345   1.053
  330   2HD2  LEU  42          2HD2      LEU  42  -3.235  -2.794   0.607
  331   3HD2  LEU  42          3HD2      LEU  42  -2.388  -1.263   0.825
  332    H    GLN  43           H        GLN  43  -5.859   0.525   1.050
  333    HA   GLN  43           HA       GLN  43  -7.223   3.027   0.420
  334   1HB   GLN  43          2HB       GLN  43  -8.515   0.737   1.678
  335   2HB   GLN  43          3HB       GLN  43  -8.544   2.161   2.719
  336   1HG   GLN  43          2HG       GLN  43  -9.888   3.350   1.289
  337   2HG   GLN  43          3HG       GLN  43  -9.191   2.613  -0.150
  338   1HE2  GLN  43          2HE2      GLN  43 -10.420   0.664   2.550
  339   2HE2  GLN  43          1HE2      GLN  43 -11.754   0.038   1.710
  340    H    LEU  44           H        LEU  44  -6.276   4.633   1.528
  341    HA   LEU  44           HA       LEU  44  -4.323   3.906   3.585
  342   1HB   LEU  44          2HB       LEU  44  -4.818   6.253   1.862
  343   2HB   LEU  44          3HB       LEU  44  -4.213   6.626   3.476
  344    HG   LEU  44           HG       LEU  44  -2.934   4.499   1.747
  345   1HD1  LEU  44          1HD1      LEU  44  -1.791   7.264   1.994
  346   2HD1  LEU  44          2HD1      LEU  44  -1.519   6.054   0.744
  347   3HD1  LEU  44          3HD1      LEU  44  -3.033   6.957   0.779
  348   1HD2  LEU  44          1HD2      LEU  44  -1.170   4.598   3.289
  349   2HD2  LEU  44          2HD2      LEU  44  -1.614   6.212   3.843
  350   3HD2  LEU  44          3HD2      LEU  44  -2.578   4.818   4.327
  351    H    HIS  45           H        HIS  45  -4.212   5.748   5.414
  352    HA   HIS  45           HA       HIS  45  -6.763   6.581   6.452
  353   1HB   HIS  45          2HB       HIS  45  -5.641   3.999   7.273
  354   2HB   HIS  45          3HB       HIS  45  -5.963   5.076   8.628
  355    HD1  HIS  45           HD1      HIS  45  -8.432   5.787   9.041
  356    HD2  HIS  45           HD2      HIS  45  -7.960   3.121   5.873
  357    HE1  HIS  45           HE1      HIS  45 -10.746   4.928   8.474
  358    H    GLY  46           H        GLY  46  -5.042   8.350   5.978
  359   1HA   GLY  46          1HA       GLY  46  -2.812   8.803   7.568
  360   2HA   GLY  46          2HA       GLY  46  -3.802  10.073   6.863
  361    H    ALA  47           H        ALA  47  -5.454  11.031   8.095
  362    HA   ALA  47           HA       ALA  47  -5.924  10.208  10.835
  363   1HB   ALA  47          1HB       ALA  47  -4.665  12.915  10.345
  364   2HB   ALA  47          2HB       ALA  47  -5.065  12.184  11.900
  365   3HB   ALA  47          3HB       ALA  47  -3.763  11.512  10.917
  366    H    CYS  48           H        CYS  48  -7.581  10.471   8.564
  367    HA   CYS  48           HA       CYS  48  -9.594  11.343   7.902
  368   1HB   CYS  48          2HB       CYS  48  -9.561  12.154  10.814
  369   2HB   CYS  48          3HB       CYS  48 -10.942  12.455   9.759
  370    HG   CYS  48           HG       CYS  48  -9.889   9.603  10.485
  371    H    GLY  49           H        GLY  49  -7.873  12.761   6.707
  372   1HA   GLY  49          1HA       GLY  49  -7.590  15.499   7.439
  373   2HA   GLY  49          2HA       GLY  49  -7.270  14.814   5.849
  374    H    THR  50           H        THR  50  -8.259  17.112   5.476
  375    HA   THR  50           HA       THR  50 -11.195  16.839   5.196
  376    HB   THR  50           HB       THR  50 -11.332  19.269   5.288
  377    HG1  THR  50           HG1      THR  50  -9.169  19.509   4.345
  378   1HG2  THR  50          1HG2      THR  50  -9.504  18.594   7.567
  379   2HG2  THR  50          2HG2      THR  50 -11.027  19.481   7.583
  380   3HG2  THR  50          3HG2      THR  50 -11.030  17.726   7.408
  381    H    CYS  51           H        CYS  51  -8.201  17.907   3.658
  382    HA   CYS  51           HA       CYS  51  -9.553  17.730   1.032
  383   1HB   CYS  51          2HB       CYS  51  -7.898  19.551   0.322
  384   2HB   CYS  51          3HB       CYS  51  -9.233  20.061   1.356
  385    HG   CYS  51           HG       CYS  51  -7.406  20.958   2.790
  386    HA   PRO  52           HA       PRO  52  -5.970  14.878   1.066
  387   1HB   PRO  52          2HB       PRO  52  -7.426  13.170  -0.725
  388   2HB   PRO  52          3HB       PRO  52  -6.983  12.881   0.961
  389   1HG   PRO  52          2HG       PRO  52  -9.554  13.302   0.004
  390   2HG   PRO  52          3HG       PRO  52  -9.041  13.422   1.693
  391   1HD   PRO  52          2HD       PRO  52  -9.623  15.599  -0.248
  392   2HD   PRO  52          3HD       PRO  52  -9.728  15.604   1.526
  393    H    SER  53           H        SER  53  -6.505  17.209  -0.784
  394    HA   SER  53           HA       SER  53  -6.014  16.383  -3.457
  395   1HB   SER  53          2HB       SER  53  -4.927  18.805  -3.493
  396   2HB   SER  53          3HB       SER  53  -6.674  18.608  -3.376
  397    HG   SER  53           HG       SER  53  -6.502  18.862  -1.143
  398    H    SER  54           H        SER  54  -4.264  16.188  -0.640
  399    HA   SER  54           HA       SER  54  -1.623  16.387  -1.833
  400   1HB   SER  54          2HB       SER  54  -2.338  15.575   0.983
  401   2HB   SER  54          3HB       SER  54  -0.782  16.150   0.393
  402    HG   SER  54           HG       SER  54  -1.623  17.972   1.123
  403    H    THR  55           H        THR  55  -3.906  13.887  -0.713
  404    HA   THR  55           HA       THR  55  -2.185  11.724  -0.467
  405    HB   THR  55           HB       THR  55  -4.557  10.940  -1.955
  406    HG1  THR  55           HG1      THR  55  -4.788  12.779   0.164
  407   1HG2  THR  55          1HG2      THR  55  -3.236   9.548  -0.354
  408   2HG2  THR  55          2HG2      THR  55  -3.783  10.595   0.953
  409   3HG2  THR  55          3HG2      THR  55  -4.948   9.622   0.059
  410    H    ILE  56           H        ILE  56  -3.576  13.105  -3.409
  411    HA   ILE  56           HA       ILE  56  -2.681  11.225  -5.266
  412    HB   ILE  56           HB       ILE  56  -2.617  14.130  -5.978
  413   1HG1  ILE  56          2HG1      ILE  56  -4.533  14.108  -4.514
  414   2HG1  ILE  56          3HG1      ILE  56  -5.146  14.029  -6.161
  415   1HG2  ILE  56          1HG2      ILE  56  -2.373  12.005  -7.514
  416   2HG2  ILE  56          2HG2      ILE  56  -4.130  11.951  -7.383
  417   3HG2  ILE  56          3HG2      ILE  56  -3.339  13.376  -8.056
  418   1HD1  ILE  56          1HD1      ILE  56  -4.885  11.381  -5.649
  419   2HD1  ILE  56          2HD1      ILE  56  -5.218  11.973  -4.021
  420   3HD1  ILE  56          3HD1      ILE  56  -6.363  12.285  -5.324
  421    H    THR  57           H        THR  57  -1.061  14.217  -4.182
  422    HA   THR  57           HA       THR  57   1.292  13.836  -5.714
  423    HB   THR  57           HB       THR  57   1.178  15.342  -3.102
  424    HG1  THR  57           HG1      THR  57  -0.582  15.670  -4.835
  425   1HG2  THR  57          1HG2      THR  57   2.862  16.709  -4.100
  426   2HG2  THR  57          2HG2      THR  57   3.331  15.045  -4.448
  427   3HG2  THR  57          3HG2      THR  57   2.568  16.026  -5.699
  428    H    LEU  58           H        LEU  58   0.718  13.311  -2.218
  429    HA   LEU  58           HA       LEU  58   3.218  12.218  -1.622
  430   1HB   LEU  58          2HB       LEU  58   1.108  12.870  -0.117
  431   2HB   LEU  58          3HB       LEU  58   0.839  11.130  -0.196
  432    HG   LEU  58           HG       LEU  58   3.592  12.158   0.426
  433   1HD1  LEU  58          1HD1      LEU  58   1.300  12.802   1.989
  434   2HD1  LEU  58          2HD1      LEU  58   2.189  11.548   2.850
  435   3HD1  LEU  58          3HD1      LEU  58   2.995  13.047   2.401
  436   1HD2  LEU  58          1HD2      LEU  58   1.991   9.652   0.789
  437   2HD2  LEU  58          2HD2      LEU  58   3.659   9.848   0.254
  438   3HD2  LEU  58          3HD2      LEU  58   3.257  10.002   1.963
  439    H    LYS  59           H        LYS  59   0.182  10.495  -2.387
  440    HA   LYS  59           HA       LYS  59   1.063   7.881  -2.296
  441   1HB   LYS  59          2HB       LYS  59  -0.935   9.240  -4.099
  442   2HB   LYS  59          3HB       LYS  59  -0.627   7.511  -4.207
  443   1HG   LYS  59          2HG       LYS  59  -1.386   7.116  -2.003
  444   2HG   LYS  59          3HG       LYS  59  -1.292   8.822  -1.573
  445   1HD   LYS  59          2HD       LYS  59  -3.635   7.774  -2.112
  446   2HD   LYS  59          3HD       LYS  59  -3.242   9.365  -2.756
  447   1HE   LYS  59          2HE       LYS  59  -2.733   8.466  -4.919
  448   2HE   LYS  59          3HE       LYS  59  -2.758   6.812  -4.310
  449   1HZ   LYS  59          1HZ       LYS  59  -5.189   8.221  -3.775
  450   1HZ   LYS  59          1HZ       LYS  59  -4.954   6.710  -4.516
  451   3HZ   LYS  59          3HZ       LYS  59  -4.854   8.135  -5.435
  452    H    ALA  60           H        ALA  60   1.240  10.131  -5.045
  453    HA   ALA  60           HA       ALA  60   2.399   8.400  -6.913
  454   1HB   ALA  60          1HB       ALA  60   3.001  11.350  -6.734
  455   2HB   ALA  60          2HB       ALA  60   2.934  10.337  -8.176
  456   3HB   ALA  60          3HB       ALA  60   1.451  10.730  -7.305
  457    H    GLY  61           H        GLY  61   3.857  10.270  -4.309
  458   1HA   GLY  61          1HA       GLY  61   6.564  10.038  -5.113
  459   2HA   GLY  61          2HA       GLY  61   6.002  10.310  -3.464
  460    H    ILE  62           H        ILE  62   4.503   8.061  -3.025
  461    HA   ILE  62           HA       ILE  62   6.459   6.132  -2.327
  462    HB   ILE  62           HB       ILE  62   3.601   5.299  -2.528
  463   1HG1  ILE  62          2HG1      ILE  62   4.604   7.536  -0.734
  464   2HG1  ILE  62          3HG1      ILE  62   3.266   7.602  -1.877
  465   1HG2  ILE  62          1HG2      ILE  62   5.483   5.250  -0.161
  466   2HG2  ILE  62          2HG2      ILE  62   4.089   4.214  -0.469
  467   3HG2  ILE  62          3HG2      ILE  62   5.553   4.032  -1.433
  468   1HD1  ILE  62          1HD1      ILE  62   3.397   6.089   0.730
  469   2HD1  ILE  62          2HD1      ILE  62   2.251   7.341   0.254
  470   3HD1  ILE  62          3HD1      ILE  62   2.177   5.748  -0.497
  471    H    GLU  63           H        GLU  63   3.720   5.880  -4.594
  472    HA   GLU  63           HA       GLU  63   4.222   3.487  -5.801
  473   1HB   GLU  63          2HB       GLU  63   2.409   5.345  -6.270
  474   2HB   GLU  63          3HB       GLU  63   3.515   5.804  -7.564
  475   1HG   GLU  63          2HG       GLU  63   3.508   3.301  -8.202
  476   2HG   GLU  63          3HG       GLU  63   2.090   3.169  -7.163
  477    H    ARG  64           H        ARG  64   5.597   6.618  -6.823
  478    HA   ARG  64           HA       ARG  64   7.169   5.734  -8.938
  479   1HB   ARG  64          2HB       ARG  64   6.782   8.121  -8.309
  480   2HB   ARG  64          3HB       ARG  64   7.901   7.909  -6.963
  481   1HG   ARG  64          2HG       ARG  64   9.720   7.380  -8.486
  482   2HG   ARG  64          3HG       ARG  64   8.619   7.407  -9.866
  483   1HD   ARG  64          2HD       ARG  64   9.244   9.770  -8.071
  484   2HD   ARG  64          3HD       ARG  64   9.894   9.518  -9.688
  485    HE   ARG  64           HE       ARG  64   7.241   9.432 -10.150
  486   1HH1  ARG  64          1HH1      ARG  64   9.109  11.895 -10.567
  487   2HH1  ARG  64          2HH1      ARG  64   8.148  13.137  -9.838
  488   1HH2  ARG  64          1HH2      ARG  64   6.029  10.918  -8.223
  489   2HH2  ARG  64          2HH2      ARG  64   6.407  12.584  -8.506
  490    H    ALA  65           H        ALA  65   8.100   6.071  -5.509
  491    HA   ALA  65           HA       ALA  65  10.728   5.124  -5.740
  492   1HB   ALA  65          1HB       ALA  65   9.244   4.418  -3.270
  493   2HB   ALA  65          2HB       ALA  65  10.782   5.259  -3.464
  494   3HB   ALA  65          3HB       ALA  65   9.267   6.127  -3.702
  495    H    LEU  66           H        LEU  66   7.740   3.361  -4.932
  496    HA   LEU  66           HA       LEU  66   8.875   0.824  -4.589
  497   1HB   LEU  66          2HB       LEU  66   6.155   1.874  -5.168
  498   2HB   LEU  66          3HB       LEU  66   6.436   0.165  -5.497
  499    HG   LEU  66           HG       LEU  66   7.366  -0.074  -3.178
  500   1HD1  LEU  66          1HD1      LEU  66   8.037   2.217  -2.741
  501   2HD1  LEU  66          2HD1      LEU  66   6.383   2.787  -2.963
  502   3HD1  LEU  66          3HD1      LEU  66   6.790   1.781  -1.573
  503   1HD2  LEU  66          1HD2      LEU  66   5.106   0.228  -2.037
  504   2HD2  LEU  66          2HD2      LEU  66   4.533   0.935  -3.548
  505   3HD2  LEU  66          3HD2      LEU  66   5.085  -0.740  -3.512
  506    H    HIS  67           H        HIS  67   7.294   2.156  -7.505
  507    HA   HIS  67           HA       HIS  67   7.702   0.022  -9.228
  508   1HB   HIS  67          2HB       HIS  67   7.565   2.996  -9.710
  509   2HB   HIS  67          3HB       HIS  67   7.745   1.849 -11.036
  510    HD1  HIS  67           HD1      HIS  67   5.438   1.855 -12.053
  511    HD2  HIS  67           HD2      HIS  67   5.326   1.359  -7.916
  512    HE1  HIS  67           HE1      HIS  67   3.028   1.351 -11.457
  513    H    GLU  68           H        GLU  68   9.901   2.738  -8.532
  514    HA   GLU  68           HA       GLU  68  11.892   2.020 -10.407
  515   1HB   GLU  68          2HB       GLU  68  11.751   4.250  -9.350
  516   2HB   GLU  68          3HB       GLU  68  12.204   3.536  -7.804
  517   1HG   GLU  68          2HG       GLU  68  14.147   4.559  -8.985
  518   2HG   GLU  68          3HG       GLU  68  14.357   2.830  -8.711
  519    H    GLU  69           H        GLU  69  11.544   1.282  -6.947
  520    HA   GLU  69           HA       GLU  69  13.944  -0.352  -6.929
  521   1HB   GLU  69          2HB       GLU  69  11.833   0.250  -4.850
  522   2HB   GLU  69          3HB       GLU  69  13.197  -0.829  -4.558
  523   1HG   GLU  69          2HG       GLU  69  13.695   1.926  -5.653
  524   2HG   GLU  69          3HG       GLU  69  13.399   1.716  -3.928
  525    H    VAL  70           H        VAL  70  10.749  -0.810  -7.847
  526    HA   VAL  70           HA       VAL  70  11.099  -3.694  -8.008
  527    HB   VAL  70           HB       VAL  70   8.729  -2.507  -6.528
  528   1HG1  VAL  70          1HG1      VAL  70   8.432  -5.050  -6.035
  529   2HG1  VAL  70          2HG1      VAL  70   7.930  -4.438  -7.611
  530   3HG1  VAL  70          3HG1      VAL  70   9.469  -5.284  -7.443
  531   1HG2  VAL  70          1HG2      VAL  70  11.129  -4.093  -5.560
  532   2HG2  VAL  70          2HG2      VAL  70  10.682  -2.452  -5.089
  533   3HG2  VAL  70          3HG2      VAL  70   9.680  -3.816  -4.595
  534    HA   PRO  71           HA       PRO  71   8.774  -1.685 -11.486
  535   1HB   PRO  71          2HB       PRO  71  10.749  -2.745 -13.310
  536   2HB   PRO  71          3HB       PRO  71  10.417  -1.051 -12.913
  537   1HG   PRO  71          2HG       PRO  71  12.710  -2.411 -12.240
  538   2HG   PRO  71          3HG       PRO  71  12.127  -0.948 -11.443
  539   1HD   PRO  71          2HD       PRO  71  11.937  -3.793 -10.541
  540   2HD   PRO  71          3HD       PRO  71  12.149  -2.312  -9.578
  541    H    GLY  72           H        GLY  72   8.312  -4.229 -10.175
  542   1HA   GLY  72          1HA       GLY  72   7.918  -6.095 -12.426
  543   2HA   GLY  72          2HA       GLY  72   7.880  -6.524 -10.719
  544    H    VAL  73           H        VAL  73   6.259  -3.972 -10.262
  545    HA   VAL  73           HA       VAL  73   3.687  -5.155 -10.266
  546    HB   VAL  73           HB       VAL  73   2.912  -3.071  -9.409
  547   1HG1  VAL  73          1HG1      VAL  73   5.804  -3.082  -8.552
  548   2HG1  VAL  73          2HG1      VAL  73   4.375  -2.715  -7.586
  549   3HG1  VAL  73          3HG1      VAL  73   4.704  -4.375  -8.079
  550   1HG2  VAL  73          1HG2      VAL  73   5.249  -1.970 -10.937
  551   2HG2  VAL  73          2HG2      VAL  73   3.580  -1.401 -10.891
  552   3HG2  VAL  73          3HG2      VAL  73   4.657  -1.089  -9.530
  553    H    ILE  74           H        ILE  74   1.780  -4.335 -11.344
  554    HA   ILE  74           HA       ILE  74   2.380  -3.483 -14.114
  555    HB   ILE  74           HB       ILE  74  -0.161  -4.901 -13.529
  556   1HG1  ILE  74          2HG1      ILE  74   2.516  -6.338 -13.613
  557   2HG1  ILE  74          3HG1      ILE  74   1.480  -6.201 -12.192
  558   1HG2  ILE  74          1HG2      ILE  74   0.525  -4.120 -15.787
  559   2HG2  ILE  74          2HG2      ILE  74   1.946  -5.160 -15.694
  560   3HG2  ILE  74          3HG2      ILE  74   0.333  -5.871 -15.725
  561   1HD1  ILE  74          1HD1      ILE  74   0.974  -8.331 -13.129
  562   2HD1  ILE  74          2HD1      ILE  74  -0.358  -7.283 -13.618
  563   3HD1  ILE  74          3HD1      ILE  74   0.920  -7.682 -14.767
  564    H    GLU  75           H        GLU  75   0.107  -3.315 -11.422
  565    HA   GLU  75           HA       GLU  75  -0.488  -0.561 -11.949
  566   1HB   GLU  75          2HB       GLU  75  -2.183  -2.578 -13.145
  567   2HB   GLU  75          3HB       GLU  75  -3.088  -1.648 -11.953
  568   1HG   GLU  75          2HG       GLU  75  -1.370  -0.372 -14.097
  569   2HG   GLU  75          3HG       GLU  75  -3.095  -0.672 -14.294
  570    H    VAL  76           H        VAL  76  -1.835   0.361 -10.289
  571    HA   VAL  76           HA       VAL  76  -2.532  -1.321  -8.000
  572    HB   VAL  76           HB       VAL  76  -0.418   0.845  -7.924
  573   1HG1  VAL  76          1HG1      VAL  76  -2.081  -0.322  -5.677
  574   2HG1  VAL  76          2HG1      VAL  76  -0.524   0.461  -5.405
  575   3HG1  VAL  76          3HG1      VAL  76  -1.863   1.380  -6.089
  576   1HG2  VAL  76          1HG2      VAL  76  -0.551  -2.068  -7.096
  577   2HG2  VAL  76          2HG2      VAL  76   0.486  -1.347  -8.327
  578   3HG2  VAL  76          3HG2      VAL  76   0.764  -0.992  -6.622
  579    H    GLU  77           H        GLU  77  -3.894  -0.192  -6.471
  580    HA   GLU  77           HA       GLU  77  -4.889   2.438  -7.312
  581   1HB   GLU  77          2HB       GLU  77  -6.674   0.019  -6.934
  582   2HB   GLU  77          3HB       GLU  77  -7.228   1.670  -7.211
  583   1HG   GLU  77          2HG       GLU  77  -5.944   1.670  -9.372
  584   2HG   GLU  77          3HG       GLU  77  -5.586  -0.035  -9.104
  585    H    GLN  78           H        GLN  78  -3.698   2.969  -5.364
  586    HA   GLN  78           HA       GLN  78  -5.019   2.181  -2.848
  587   1HB   GLN  78          2HB       GLN  78  -2.513   1.947  -3.073
  588   2HB   GLN  78          3HB       GLN  78  -2.424   3.702  -3.212
  589   1HG   GLN  78          2HG       GLN  78  -3.816   2.357  -0.893
  590   2HG   GLN  78          3HG       GLN  78  -2.089   2.709  -0.862
  591   1HE2  GLN  78          2HE2      GLN  78  -5.042   3.983   0.033
  592   2HE2  GLN  78          1HE2      GLN  78  -4.629   5.625   0.045
  593    H    VAL  79           H        VAL  79  -6.816   3.483  -2.816
  594    HA   VAL  79           HA       VAL  79  -6.377   6.400  -3.039
  595    HB   VAL  79           HB       VAL  79  -8.634   6.619  -3.728
  596   1HG1  VAL  79          1HG1      VAL  79  -7.058   5.580  -5.402
  597   2HG1  VAL  79          2HG1      VAL  79  -7.695   4.001  -4.942
  598   3HG1  VAL  79          3HG1      VAL  79  -8.756   5.200  -5.684
  599   1HG2  VAL  79          1HG2      VAL  79  -8.917   3.860  -2.549
  600   2HG2  VAL  79          2HG2      VAL  79  -9.893   5.297  -2.250
  601   3HG2  VAL  79          3HG2      VAL  79 -10.062   4.416  -3.770
  602    H    PHE  80           H        PHE  80  -7.682   7.775  -1.623
  603    HA   PHE  80           HA       PHE  80  -9.110   6.879   0.586
  604   1HB   PHE  80          2HB       PHE  80  -6.697   6.090   1.179
  605   2HB   PHE  80          3HB       PHE  80  -6.468   7.780   1.627
  606    HD1  PHE  80           HD1      PHE  80  -9.007   5.037   2.006
  607    HD2  PHE  80           HD2      PHE  80  -7.123   8.462   3.776
  608    HE1  PHE  80           HE1      PHE  80 -10.328   4.697   4.079
  609    HE2  PHE  80           HE2      PHE  80  -8.427   8.116   5.849
  610    HZ   PHE  80           HZ       PHE  80 -10.036   6.236   6.000
  611    H    LEU  81           H        LEU  81  -8.968   8.633   2.451
  612    HA   LEU  81           HA       LEU  81  -9.134  11.281   1.151
  613   1HB   LEU  81          2HB       LEU  81 -10.794  11.777   2.973
  614   2HB   LEU  81          3HB       LEU  81 -11.312  10.502   1.869
  615    HG   LEU  81           HG       LEU  81  -9.737   9.590   4.213
  616   1HD1  LEU  81          1HD1      LEU  81 -11.081  11.269   5.329
  617   2HD1  LEU  81          2HD1      LEU  81 -12.534  10.717   4.496
  618   3HD1  LEU  81          3HD1      LEU  81 -11.755   9.681   5.692
  619   1HD2  LEU  81          1HD2      LEU  81 -10.665   7.950   2.704
  620   2HD2  LEU  81          2HD2      LEU  81 -11.597   7.866   4.198
  621   3HD2  LEU  81          3HD2      LEU  81 -12.262   8.694   2.790
  622    H    GLU  82           H        GLU  82  -6.615  10.674   1.962
  623    HA   GLU  82           HA       GLU  82  -6.288  12.390   4.327
  624   1HB   GLU  82          2HB       GLU  82  -4.561  10.818   5.233
  625   2HB   GLU  82          3HB       GLU  82  -6.199  10.179   5.271
  626   1HG   GLU  82          2HG       GLU  82  -5.316   8.361   4.244
  627   2HG   GLU  82          3HG       GLU  82  -5.338   9.353   2.790
  628    H    HIS  83           H        HIS  83  -3.394  11.631   4.386
  629    HA   HIS  83           HA       HIS  83  -2.450  12.797   1.846
  630   1HB   HIS  83          2HB       HIS  83  -1.274  13.705   4.467
  631   2HB   HIS  83          3HB       HIS  83  -1.181  14.476   2.885
  632    HD1  HIS  83           HD1      HIS  83  -2.747  16.383   2.563
  633    HD2  HIS  83           HD2      HIS  83  -4.141  13.746   5.474
  634    HE1  HIS  83           HE1      HIS  83  -4.881  17.391   3.478
  635    H    HIS  84           H        HIS  84  -1.537  11.357   4.954
  636    HA   HIS  84           HA       HIS  84  -0.243   9.465   5.341
  637   1HB   HIS  84          2HB       HIS  84  -0.579   8.995   2.786
  638   2HB   HIS  84          3HB       HIS  84   1.049   9.651   2.638
  639    HD1  HIS  84           HD1      HIS  84   2.512   7.639   2.384
  640    HD2  HIS  84           HD2      HIS  84  -0.257   7.160   5.464
  641    HE1  HIS  84           HE1      HIS  84   3.083   5.454   3.527
  642    H    HIS  85           H        HIS  85   2.466   9.154   4.445
  643    HA   HIS  85           HA       HIS  85   3.672  11.626   5.532
  644   1HB   HIS  85          2HB       HIS  85   3.848   9.970   7.229
  645   2HB   HIS  85          3HB       HIS  85   4.331   8.727   6.076
  646    HD1  HIS  85           HD1      HIS  85   5.747  12.247   6.326
  647    HD2  HIS  85           HD2      HIS  85   6.962   8.301   6.906
  648    HE1  HIS  85           HE1      HIS  85   8.243  12.320   6.751
  649    H    HIS  86           H        HIS  86   5.575   8.890   4.548
  650    HA   HIS  86           HA       HIS  86   6.061   9.701   1.846
  651   1HB   HIS  86          2HB       HIS  86   7.876  10.675   4.023
  652   2HB   HIS  86          3HB       HIS  86   8.583  10.202   2.481
  653    HD1  HIS  86           HD1      HIS  86   6.592  11.223   0.467
  654    HD2  HIS  86           HD2      HIS  86   7.639  13.422   3.851
  655    HE1  HIS  86           HE1      HIS  86   6.053  13.641  -0.055
  656    H    HIS  87           H        HIS  87   8.524   8.725   1.377
  657    HA   HIS  87           HA       HIS  87   8.177   5.879   1.857
  658   1HB   HIS  87          2HB       HIS  87   8.795   6.804  -0.383
  659   2HB   HIS  87          3HB       HIS  87  10.336   7.325   0.299
  660    HD1  HIS  87           HD1      HIS  87   8.321   4.079   0.088
  661    HD2  HIS  87           HD2      HIS  87  12.279   5.389   0.043
  662    HE1  HIS  87           HE1      HIS  87   9.753   2.024  -0.286
  663    H    HIS  88           H        HIS  88   9.201   8.054   3.876
  664    HA   HIS  88           HA       HIS  88  10.511   7.959   5.767
  665   1HB   HIS  88          2HB       HIS  88  10.084   5.372   5.363
  666   2HB   HIS  88          3HB       HIS  88  11.793   5.387   4.935
  667    HD1  HIS  88           HD1      HIS  88  13.420   6.496   6.819
  668    HD2  HIS  88           HD2      HIS  88   9.617   5.368   8.102
  669    HE1  HIS  88           HE1      HIS  88  13.521   6.384   9.346
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1  12.360 -25.868  -5.918
    2   2H    MET   1          2HT       MET   1  12.150 -24.824  -4.595
    3   3H    MET   1          3HT       MET   1  11.705 -24.322  -6.155
    4    HA   MET   1           HA       MET   1   9.743 -25.359  -6.100
    5   1HB   MET   1          2HB       MET   1  11.359 -27.526  -4.784
    6   2HB   MET   1          3HB       MET   1   9.597 -27.598  -4.729
    7   1HG   MET   1          2HG       MET   1   9.459 -27.538  -7.150
    8   2HG   MET   1          3HG       MET   1  11.195 -27.269  -7.285
    9   1HE   MET   1          1HE       MET   1  10.306 -30.825  -8.659
   10   2HE   MET   1          2HE       MET   1  11.597 -29.648  -8.897
   11   3HE   MET   1          3HE       MET   1   9.917 -29.116  -8.905
   12    HA   PRO   2           HA       PRO   2   9.430 -23.472  -1.883
   13   1HB   PRO   2          2HB       PRO   2   7.734 -21.437  -3.026
   14   2HB   PRO   2          3HB       PRO   2   9.359 -21.255  -2.346
   15   1HG   PRO   2          2HG       PRO   2   8.691 -20.963  -5.012
   16   2HG   PRO   2          3HG       PRO   2  10.321 -21.242  -4.380
   17   1HD   PRO   2          2HD       PRO   2   8.457 -23.166  -5.690
   18   2HD   PRO   2          3HD       PRO   2  10.233 -23.134  -5.687
   19    H    THR   3           H        THR   3   7.362 -22.941  -0.651
   20    HA   THR   3           HA       THR   3   5.312 -24.897  -1.386
   21    HB   THR   3           HB       THR   3   5.289 -23.218   1.111
   22    HG1  THR   3           HG1      THR   3   7.209 -24.059   1.416
   23   1HG2  THR   3          1HG2      THR   3   4.519 -26.110   0.712
   24   2HG2  THR   3          2HG2      THR   3   4.040 -25.023   2.012
   25   3HG2  THR   3          3HG2      THR   3   3.392 -24.791   0.389
   26    H    GLU   4           H        GLU   4   3.092 -24.386  -1.524
   27    HA   GLU   4           HA       GLU   4   2.581 -21.619  -2.395
   28   1HB   GLU   4          2HB       GLU   4   0.999 -24.167  -2.824
   29   2HB   GLU   4          3HB       GLU   4   0.526 -22.574  -3.417
   30   1HG   GLU   4          2HG       GLU   4   1.648 -23.706  -5.224
   31   2HG   GLU   4          3HG       GLU   4   2.736 -22.455  -4.628
   32    H    ASN   5           H        ASN   5   2.433 -23.197   0.429
   33    HA   ASN   5           HA       ASN   5  -0.250 -22.728   1.287
   34   1HB   ASN   5          2HB       ASN   5   1.912 -24.070   2.339
   35   2HB   ASN   5          3HB       ASN   5   1.795 -22.664   3.395
   36   1HD2  ASN   5          2HD2      ASN   5  -0.670 -22.190   4.042
   37   2HD2  ASN   5          1HD2      ASN   5  -1.564 -23.562   4.487
   38    HA   PRO   6           HA       PRO   6   1.507 -18.656   3.062
   39   1HB   PRO   6          2HB       PRO   6   4.077 -18.060   1.892
   40   2HB   PRO   6          3HB       PRO   6   3.707 -18.418   3.585
   41   1HG   PRO   6          2HG       PRO   6   5.174 -20.032   1.896
   42   2HG   PRO   6          3HG       PRO   6   4.388 -20.557   3.394
   43   1HD   PRO   6          2HD       PRO   6   3.495 -20.932   0.565
   44   2HD   PRO   6          3HD       PRO   6   3.276 -21.998   1.971
   45    H    THR   7           H        THR   7  -0.176 -18.046   1.573
   46    HA   THR   7           HA       THR   7   0.409 -17.302  -1.135
   47    HB   THR   7           HB       THR   7  -1.922 -16.360  -1.066
   48    HG1  THR   7           HG1      THR   7  -1.448 -16.377   1.503
   49   1HG2  THR   7          1HG2      THR   7  -1.904 -18.567  -1.799
   50   2HG2  THR   7          2HG2      THR   7  -1.233 -19.174  -0.285
   51   3HG2  THR   7          3HG2      THR   7  -2.930 -18.699  -0.369
   52    H    MET   8           H        MET   8  -0.076 -15.088  -1.961
   53    HA   MET   8           HA       MET   8   1.679 -13.190  -0.978
   54   1HB   MET   8          2HB       MET   8  -0.811 -12.893  -2.657
   55   2HB   MET   8          3HB       MET   8   0.249 -11.534  -2.290
   56   1HG   MET   8          2HG       MET   8   2.170 -12.906  -3.202
   57   2HG   MET   8          3HG       MET   8   0.981 -14.083  -3.754
   58   1HE   MET   8          1HE       MET   8  -0.553 -12.780  -6.799
   59   2HE   MET   8          2HE       MET   8  -1.219 -13.235  -5.233
   60   3HE   MET   8          3HE       MET   8   0.134 -14.143  -5.904
   61    H    PHE   9           H        PHE   9  -1.806 -13.485  -0.348
   62    HA   PHE   9           HA       PHE   9  -2.378 -11.235   1.079
   63   1HB   PHE   9          2HB       PHE   9  -3.906 -13.215   0.615
   64   2HB   PHE   9          3HB       PHE   9  -3.196 -13.985   2.034
   65    HD1  PHE   9           HD1      PHE   9  -5.464 -11.394   0.825
   66    HD2  PHE   9           HD2      PHE   9  -3.448 -12.941   4.290
   67    HE1  PHE   9           HE1      PHE   9  -6.995 -10.107   2.294
   68    HE2  PHE   9           HE2      PHE   9  -4.978 -11.652   5.755
   69    HZ   PHE   9           HZ       PHE   9  -6.751 -10.237   4.757
   70    H    ASP  10           H        ASP  10  -0.463 -13.974   2.115
   71    HA   ASP  10           HA       ASP  10  -0.287 -13.422   4.865
   72   1HB   ASP  10          2HB       ASP  10   0.462 -15.523   3.647
   73   2HB   ASP  10          3HB       ASP  10   1.913 -14.635   3.189
   74    H    GLN  11           H        GLN  11   2.201 -12.787   2.394
   75    HA   GLN  11           HA       GLN  11   3.848 -11.169   3.972
   76   1HB   GLN  11          2HB       GLN  11   3.885 -12.150   1.373
   77   2HB   GLN  11          3HB       GLN  11   3.847 -10.403   1.158
   78   1HG   GLN  11          2HG       GLN  11   5.751 -10.190   2.753
   79   2HG   GLN  11          3HG       GLN  11   5.823 -11.950   2.860
   80   1HE2  GLN  11          2HE2      GLN  11   5.715  -9.464   0.219
   81   2HE2  GLN  11          1HE2      GLN  11   6.903 -10.226  -0.727
   82    H    VAL  12           H        VAL  12   1.582 -10.036   1.439
   83    HA   VAL  12           HA       VAL  12   1.901  -7.340   1.815
   84    HB   VAL  12           HB       VAL  12  -0.280  -7.040   0.843
   85   1HG1  VAL  12          1HG1      VAL  12   0.880  -9.625  -0.183
   86   2HG1  VAL  12          2HG1      VAL  12  -0.028  -8.423  -1.101
   87   3HG1  VAL  12          3HG1      VAL  12   1.583  -8.041  -0.498
   88   1HG2  VAL  12          1HG2      VAL  12  -1.746  -8.435   2.081
   89   2HG2  VAL  12          2HG2      VAL  12  -1.679  -9.195   0.492
   90   3HG2  VAL  12          3HG2      VAL  12  -0.737  -9.858   1.822
   91    H    ALA  13           H        ALA  13  -0.673  -9.274   3.371
   92    HA   ALA  13           HA       ALA  13  -1.602  -7.315   5.042
   93   1HB   ALA  13          1HB       ALA  13  -1.333 -10.169   5.980
   94   2HB   ALA  13          2HB       ALA  13  -2.618  -9.014   6.337
   95   3HB   ALA  13          3HB       ALA  13  -2.484  -9.715   4.725
   96    H    GLU  14           H        GLU  14   1.116  -9.521   5.480
   97    HA   GLU  14           HA       GLU  14   1.827  -8.745   8.115
   98   1HB   GLU  14          2HB       GLU  14   3.021 -10.328   5.942
   99   2HB   GLU  14          3HB       GLU  14   4.202  -9.524   6.974
  100   1HG   GLU  14          2HG       GLU  14   3.765 -11.644   7.992
  101   2HG   GLU  14          3HG       GLU  14   2.921 -10.445   8.967
  102    H    VAL  15           H        VAL  15   3.132  -7.758   4.956
  103    HA   VAL  15           HA       VAL  15   5.016  -5.900   5.856
  104    HB   VAL  15           HB       VAL  15   3.398  -5.876   3.295
  105   1HG1  VAL  15          1HG1      VAL  15   5.398  -4.572   2.456
  106   2HG1  VAL  15          2HG1      VAL  15   4.397  -3.702   3.618
  107   3HG1  VAL  15          3HG1      VAL  15   5.921  -4.423   4.135
  108   1HG2  VAL  15          1HG2      VAL  15   4.859  -7.924   3.904
  109   2HG2  VAL  15          2HG2      VAL  15   5.152  -7.159   2.343
  110   3HG2  VAL  15          3HG2      VAL  15   6.233  -6.842   3.699
  111    H    ILE  16           H        ILE  16   1.784  -5.126   4.517
  112    HA   ILE  16           HA       ILE  16   1.721  -2.426   5.056
  113    HB   ILE  16           HB       ILE  16  -0.641  -4.295   5.373
  114   1HG1  ILE  16          2HG1      ILE  16   0.331  -4.821   3.250
  115   2HG1  ILE  16          3HG1      ILE  16  -0.993  -3.717   2.912
  116   1HG2  ILE  16          1HG2      ILE  16  -0.650  -1.480   4.290
  117   2HG2  ILE  16          2HG2      ILE  16  -1.998  -2.420   4.934
  118   3HG2  ILE  16          3HG2      ILE  16  -0.765  -1.786   6.024
  119   1HD1  ILE  16          1HD1      ILE  16   1.970  -3.143   2.912
  120   2HD1  ILE  16          2HD1      ILE  16   0.801  -2.885   1.616
  121   3HD1  ILE  16          3HD1      ILE  16   0.785  -1.844   3.039
  122    H    GLU  17           H        GLU  17   0.762  -5.066   7.238
  123    HA   GLU  17           HA       GLU  17  -0.156  -3.595   9.405
  124   1HB   GLU  17          2HB       GLU  17   1.229  -6.252   9.178
  125   2HB   GLU  17          3HB       GLU  17   0.809  -5.594  10.758
  126   1HG   GLU  17          2HG       GLU  17  -1.351  -5.476   8.736
  127   2HG   GLU  17          3HG       GLU  17  -0.885  -7.100   9.234
  128    H    ARG  18           H        ARG  18   3.176  -4.526   8.617
  129    HA   ARG  18           HA       ARG  18   4.371  -3.503  10.970
  130   1HB   ARG  18          2HB       ARG  18   5.358  -4.342   8.276
  131   2HB   ARG  18          3HB       ARG  18   6.447  -3.456   9.340
  132   1HG   ARG  18          2HG       ARG  18   4.898  -5.799  10.415
  133   2HG   ARG  18          3HG       ARG  18   6.365  -6.076   9.475
  134   1HD   ARG  18          2HD       ARG  18   7.737  -5.090  11.060
  135   2HD   ARG  18          3HD       ARG  18   6.452  -4.060  11.686
  136    HE   ARG  18           HE       ARG  18   5.633  -6.591  12.332
  137   1HH1  ARG  18          1HH1      ARG  18   8.570  -4.805  12.752
  138   2HH1  ARG  18          2HH1      ARG  18   8.963  -5.543  14.269
  139   1HH2  ARG  18          1HH2      ARG  18   6.129  -7.539  14.336
  140   2HH2  ARG  18          2HH2      ARG  18   7.582  -7.090  15.166
  141    H    LEU  19           H        LEU  19   4.034  -2.073   7.717
  142    HA   LEU  19           HA       LEU  19   5.383   0.352   8.424
  143   1HB   LEU  19          2HB       LEU  19   3.730  -0.523   6.068
  144   2HB   LEU  19          3HB       LEU  19   4.295   1.140   6.220
  145    HG   LEU  19           HG       LEU  19   6.632   0.116   6.622
  146   1HD1  LEU  19          1HD1      LEU  19   6.872  -2.126   5.451
  147   2HD1  LEU  19          2HD1      LEU  19   6.040  -2.185   7.003
  148   3HD1  LEU  19          3HD1      LEU  19   5.115  -2.258   5.505
  149   1HD2  LEU  19          1HD2      LEU  19   5.331  -0.248   3.902
  150   2HD2  LEU  19          2HD2      LEU  19   5.906   1.291   4.542
  151   3HD2  LEU  19          3HD2      LEU  19   7.051  -0.010   4.214
  152    H    ARG  20           H        ARG  20   2.016  -0.647   8.366
  153    HA   ARG  20           HA       ARG  20   0.505   1.548   8.306
  154   1HB   ARG  20          2HB       ARG  20   0.373  -0.945   9.826
  155   2HB   ARG  20          3HB       ARG  20  -0.536   0.373  10.568
  156   1HG   ARG  20          2HG       ARG  20  -1.886   0.681   8.655
  157   2HG   ARG  20          3HG       ARG  20  -0.770  -0.205   7.616
  158   1HD   ARG  20          2HD       ARG  20  -3.051  -1.259   8.752
  159   2HD   ARG  20          3HD       ARG  20  -1.699  -2.201   8.133
  160    HE   ARG  20           HE       ARG  20  -0.813  -2.042  10.520
  161   1HH1  ARG  20          1HH1      ARG  20  -3.890  -3.015   9.531
  162   2HH1  ARG  20          2HH1      ARG  20  -4.558  -3.137  11.125
  163   1HH2  ARG  20          1HH2      ARG  20  -1.802  -1.718  12.676
  164   2HH2  ARG  20          2HH2      ARG  20  -3.372  -2.404  12.905
  165    HA   PRO  21           HA       PRO  21   1.212   2.686  13.075
  166   1HB   PRO  21          2HB       PRO  21   3.970   1.983  13.540
  167   2HB   PRO  21          3HB       PRO  21   2.532   1.421  14.402
  168   1HG   PRO  21          2HG       PRO  21   4.077   0.103  12.305
  169   2HG   PRO  21          3HG       PRO  21   2.944  -0.584  13.475
  170   1HD   PRO  21          2HD       PRO  21   2.379  -0.383  10.813
  171   2HD   PRO  21          3HD       PRO  21   1.125  -0.327  12.071
  172    H    PHE  22           H        PHE  22   3.900   2.709  10.736
  173    HA   PHE  22           HA       PHE  22   4.821   5.331  11.529
  174   1HB   PHE  22          2HB       PHE  22   5.458   3.579   9.143
  175   2HB   PHE  22          3HB       PHE  22   6.229   5.135   9.450
  176    HD1  PHE  22           HD1      PHE  22   7.646   5.462  11.464
  177    HD2  PHE  22           HD2      PHE  22   5.991   1.632  10.448
  178    HE1  PHE  22           HE1      PHE  22   9.241   4.363  13.016
  179    HE2  PHE  22           HE2      PHE  22   7.582   0.533  11.997
  180    HZ   PHE  22           HZ       PHE  22   9.208   1.897  13.282
  181    H    LEU  23           H        LEU  23   3.136   4.011   8.682
  182    HA   LEU  23           HA       LEU  23   2.773   6.396   7.278
  183   1HB   LEU  23          2HB       LEU  23   1.327   3.775   7.385
  184   2HB   LEU  23          3HB       LEU  23   0.582   5.115   6.516
  185    HG   LEU  23           HG       LEU  23   2.485   5.333   5.056
  186   1HD1  LEU  23          1HD1      LEU  23   4.387   3.591   5.361
  187   2HD1  LEU  23          2HD1      LEU  23   4.376   4.995   6.428
  188   3HD1  LEU  23          3HD1      LEU  23   3.788   3.439   7.011
  189   1HD2  LEU  23          1HD2      LEU  23   2.481   3.138   3.967
  190   2HD2  LEU  23          2HD2      LEU  23   1.881   2.385   5.446
  191   3HD2  LEU  23          3HD2      LEU  23   0.860   3.512   4.553
  192    H    LEU  24           H        LEU  24   0.914   4.965   9.907
  193    HA   LEU  24           HA       LEU  24  -1.356   6.583   9.880
  194   1HB   LEU  24          2HB       LEU  24  -0.711   4.525  11.358
  195   2HB   LEU  24          3HB       LEU  24  -0.077   5.742  12.462
  196    HG   LEU  24           HG       LEU  24  -2.425   6.890  12.063
  197   1HD1  LEU  24          1HD1      LEU  24  -2.885   3.984  11.331
  198   2HD1  LEU  24          2HD1      LEU  24  -4.180   5.071  11.833
  199   3HD1  LEU  24          3HD1      LEU  24  -3.268   5.406  10.361
  200   1HD2  LEU  24          1HD2      LEU  24  -1.946   4.436  13.786
  201   2HD2  LEU  24          2HD2      LEU  24  -1.690   6.119  14.244
  202   3HD2  LEU  24          3HD2      LEU  24  -3.326   5.517  13.980
  203    H    ARG  25           H        ARG  25   1.486   7.000  11.976
  204    HA   ARG  25           HA       ARG  25   0.821   9.447  13.081
  205   1HB   ARG  25          2HB       ARG  25   3.554   8.315  12.464
  206   2HB   ARG  25          3HB       ARG  25   3.251   9.675  13.542
  207   1HG   ARG  25          2HG       ARG  25   1.617   8.082  14.771
  208   2HG   ARG  25          3HG       ARG  25   2.433   6.793  13.889
  209   1HD   ARG  25          2HD       ARG  25   4.623   7.839  14.768
  210   2HD   ARG  25          3HD       ARG  25   3.597   8.710  15.904
  211    HE   ARG  25           HE       ARG  25   3.560   5.751  15.736
  212   1HH1  ARG  25          1HH2      ARG  25   4.603   8.515  17.474
  213   2HH1  ARG  25          2HH2      ARG  25   4.262   7.848  19.036
  214   1HH2  ARG  25          1HH1      ARG  25   2.791   4.972  17.789
  215   2HH2  ARG  25          2HH1      ARG  25   3.239   5.848  19.215
  216    H    ASP  26           H        ASP  26   2.380   8.822   9.954
  217    HA   ASP  26           HA       ASP  26   2.727  11.722   9.582
  218   1HB   ASP  26          2HB       ASP  26   3.655   9.618   7.648
  219   2HB   ASP  26          3HB       ASP  26   4.291  11.241   7.910
  220    H    GLY  27           H        GLY  27   1.530   8.968   7.616
  221   1HA   GLY  27          1HA       GLY  27  -0.098  10.875   6.068
  222   2HA   GLY  27          2HA       GLY  27   0.312   9.236   5.579
  223    H    GLY  28           H        GLY  28  -0.672   7.461   6.854
  224   1HA   GLY  28          1HA       GLY  28  -2.843   7.799   8.611
  225   2HA   GLY  28          2HA       GLY  28  -3.472   7.688   6.968
  226    H    ASP  29           H        ASP  29  -4.491   5.687   7.389
  227    HA   ASP  29           HA       ASP  29  -2.669   3.403   7.861
  228   1HB   ASP  29          2HB       ASP  29  -4.666   3.880   9.439
  229   2HB   ASP  29          3HB       ASP  29  -5.669   3.293   8.115
  230    H    CYS  30           H        CYS  30  -2.524   1.801   6.393
  231    HA   CYS  30           HA       CYS  30  -4.126   2.060   3.918
  232   1HB   CYS  30          2HB       CYS  30  -1.610   2.376   3.771
  233   2HB   CYS  30          3HB       CYS  30  -1.457   0.674   4.205
  234    HG   CYS  30           HG       CYS  30  -2.363  -0.012   1.962
  235    H    THR  31           H        THR  31  -4.997   0.169   2.979
  236    HA   THR  31           HA       THR  31  -4.693  -2.355   4.424
  237    HB   THR  31           HB       THR  31  -7.427  -1.118   4.056
  238    HG1  THR  31           HG1      THR  31  -6.010  -1.484   6.471
  239   1HG2  THR  31          1HG2      THR  31  -7.999  -2.969   5.707
  240   2HG2  THR  31          2HG2      THR  31  -7.570  -3.503   4.082
  241   3HG2  THR  31          3HG2      THR  31  -6.394  -3.627   5.390
  242    H    LEU  32           H        LEU  32  -4.546  -3.951   3.005
  243    HA   LEU  32           HA       LEU  32  -5.057  -3.571   0.213
  244   1HB   LEU  32          2HB       LEU  32  -3.279  -5.075   1.067
  245   2HB   LEU  32          3HB       LEU  32  -4.517  -6.133   1.744
  246    HG   LEU  32           HG       LEU  32  -4.922  -5.476  -1.106
  247   1HD1  LEU  32          1HD1      LEU  32  -2.415  -5.638  -0.939
  248   2HD1  LEU  32          2HD1      LEU  32  -2.613  -7.273  -0.307
  249   3HD1  LEU  32          3HD1      LEU  32  -3.143  -6.891  -1.945
  250   1HD2  LEU  32          1HD2      LEU  32  -4.684  -8.163   0.271
  251   2HD2  LEU  32          2HD2      LEU  32  -6.153  -7.191   0.346
  252   3HD2  LEU  32          3HD2      LEU  32  -5.565  -7.780  -1.208
  253    H    VAL  33           H        VAL  33  -6.889  -3.934  -0.902
  254    HA   VAL  33           HA       VAL  33  -9.172  -5.080   0.556
  255    HB   VAL  33           HB       VAL  33  -9.061  -3.406  -1.962
  256   1HG1  VAL  33          1HG1      VAL  33 -11.331  -4.755  -0.495
  257   2HG1  VAL  33          2HG1      VAL  33 -11.604  -3.307  -1.464
  258   3HG1  VAL  33          3HG1      VAL  33 -10.978  -4.770  -2.222
  259   1HG2  VAL  33          1HG2      VAL  33  -8.678  -1.918  -0.206
  260   2HG2  VAL  33          2HG2      VAL  33 -10.441  -1.913  -0.268
  261   3HG2  VAL  33          3HG2      VAL  33  -9.603  -2.879   0.948
  262    H    ASP  34           H        ASP  34  -7.262  -5.534  -2.403
  263    HA   ASP  34           HA       ASP  34  -8.215  -8.259  -2.582
  264   1HB   ASP  34          2HB       ASP  34  -9.889  -6.586  -3.780
  265   2HB   ASP  34          3HB       ASP  34  -8.688  -6.673  -5.068
  266    H    VAL  35           H        VAL  35  -6.723  -9.544  -3.466
  267    HA   VAL  35           HA       VAL  35  -4.368  -8.269  -4.695
  268    HB   VAL  35           HB       VAL  35  -4.040  -9.723  -2.676
  269   1HG1  VAL  35          1HG1      VAL  35  -4.600 -11.967  -2.638
  270   2HG1  VAL  35          2HG1      VAL  35  -5.901 -11.363  -3.664
  271   3HG1  VAL  35          3HG1      VAL  35  -4.490 -12.136  -4.388
  272   1HG2  VAL  35          1HG2      VAL  35  -2.817 -10.692  -5.279
  273   2HG2  VAL  35          2HG2      VAL  35  -2.213  -9.375  -4.277
  274   3HG2  VAL  35          3HG2      VAL  35  -2.174 -11.031  -3.673
  275    H    GLU  36           H        GLU  36  -4.101  -8.421  -6.832
  276    HA   GLU  36           HA       GLU  36  -5.023 -10.796  -8.261
  277   1HB   GLU  36          2HB       GLU  36  -6.927  -9.140  -8.248
  278   2HB   GLU  36          3HB       GLU  36  -5.888  -8.046  -9.161
  279   1HG   GLU  36          2HG       GLU  36  -7.057  -9.152 -10.864
  280   2HG   GLU  36          3HG       GLU  36  -5.567 -10.089 -10.766
  281    H    ASP  37           H        ASP  37  -2.711 -11.046  -8.393
  282    HA   ASP  37           HA       ASP  37  -0.685 -10.907  -9.447
  283   1HB   ASP  37          2HB       ASP  37  -2.257 -11.389 -11.372
  284   2HB   ASP  37          3HB       ASP  37  -2.225  -9.665 -11.732
  285    H    GLY  38           H        GLY  38  -2.047  -8.042 -11.025
  286   1HA   GLY  38          1HA       GLY  38  -0.045  -6.394  -9.597
  287   2HA   GLY  38          2HA       GLY  38  -0.361  -6.216 -11.312
  288    H    ILE  39           H        ILE  39  -3.324  -6.707 -10.704
  289    HA   ILE  39           HA       ILE  39  -3.973  -3.910 -10.266
  290    HB   ILE  39           HB       ILE  39  -5.886  -6.206 -10.742
  291   1HG1  ILE  39          2HG1      ILE  39  -5.661  -4.839 -13.124
  292   2HG1  ILE  39          3HG1      ILE  39  -3.993  -4.839 -12.549
  293   1HG2  ILE  39          1HG2      ILE  39  -6.281  -3.358 -11.600
  294   2HG2  ILE  39          2HG2      ILE  39  -7.485  -4.575 -11.183
  295   3HG2  ILE  39          3HG2      ILE  39  -6.557  -3.783  -9.911
  296   1HD1  ILE  39          1HD1      ILE  39  -4.579  -6.840 -13.953
  297   2HD1  ILE  39          2HD1      ILE  39  -4.007  -7.256 -12.337
  298   3HD1  ILE  39          3HD1      ILE  39  -5.731  -7.319 -12.705
  299    H    VAL  40           H        VAL  40  -3.002  -4.300  -8.016
  300    HA   VAL  40           HA       VAL  40  -4.816  -5.552  -6.114
  301    HB   VAL  40           HB       VAL  40  -2.122  -4.217  -5.870
  302   1HG1  VAL  40          1HG1      VAL  40  -4.140  -4.876  -3.747
  303   2HG1  VAL  40          2HG1      VAL  40  -2.431  -5.139  -3.403
  304   3HG1  VAL  40          3HG1      VAL  40  -3.006  -3.528  -3.830
  305   1HG2  VAL  40          1HG2      VAL  40  -2.913  -6.805  -6.465
  306   2HG2  VAL  40          2HG2      VAL  40  -1.336  -6.346  -5.825
  307   3HG2  VAL  40          3HG2      VAL  40  -2.610  -6.881  -4.730
  308    H    LYS  41           H        LYS  41  -6.469  -4.530  -5.242
  309    HA   LYS  41           HA       LYS  41  -6.630  -1.608  -5.325
  310   1HB   LYS  41          2HB       LYS  41  -8.688  -3.577  -4.294
  311   2HB   LYS  41          3HB       LYS  41  -8.947  -1.887  -4.734
  312   1HG   LYS  41          2HG       LYS  41  -8.330  -2.413  -7.077
  313   2HG   LYS  41          3HG       LYS  41  -8.125  -4.108  -6.632
  314   1HD   LYS  41          2HD       LYS  41 -10.518  -4.112  -5.844
  315   2HD   LYS  41          3HD       LYS  41 -10.685  -2.491  -6.520
  316   1HE   LYS  41          2HE       LYS  41  -9.801  -4.914  -8.114
  317   2HE   LYS  41          3HE       LYS  41 -11.452  -4.295  -8.085
  318   1HZ   LYS  41          1HZ       LYS  41 -10.537  -3.264  -9.921
  319   1HZ   LYS  41          1HZ       LYS  41  -9.021  -3.040  -9.184
  320   3HZ   LYS  41          3HZ       LYS  41 -10.345  -2.083  -8.720
  321    H    LEU  42           H        LEU  42  -6.587  -0.318  -3.490
  322    HA   LEU  42           HA       LEU  42  -6.528  -1.596  -0.863
  323   1HB   LEU  42          2HB       LEU  42  -4.398  -0.424  -0.263
  324   2HB   LEU  42          3HB       LEU  42  -4.194  -1.710  -1.447
  325    HG   LEU  42           HG       LEU  42  -4.712   1.054  -2.470
  326   1HD1  LEU  42          1HD1      LEU  42  -2.291   1.568  -2.349
  327   2HD1  LEU  42          2HD1      LEU  42  -3.004   1.420  -0.743
  328   3HD1  LEU  42          3HD1      LEU  42  -2.036   0.101  -1.404
  329   1HD2  LEU  42          1HD2      LEU  42  -4.255  -1.320  -3.685
  330   2HD2  LEU  42          2HD2      LEU  42  -3.772   0.221  -4.394
  331   3HD2  LEU  42          3HD2      LEU  42  -2.594  -0.757  -3.520
  332    H    GLN  43           H        GLN  43  -6.963  -0.225   0.846
  333    HA   GLN  43           HA       GLN  43  -8.173   2.336   0.072
  334   1HB   GLN  43          2HB       GLN  43  -8.614   0.357   2.230
  335   2HB   GLN  43          3HB       GLN  43  -8.787   2.047   2.702
  336   1HG   GLN  43          2HG       GLN  43 -10.446   2.438   1.006
  337   2HG   GLN  43          3HG       GLN  43 -10.137   0.870   0.263
  338   1HE2  GLN  43          2HE2      GLN  43 -11.244   2.276   3.398
  339   2HE2  GLN  43          1HE2      GLN  43 -12.297   0.994   3.762
  340    H    LEU  44           H        LEU  44  -7.900   4.144   1.661
  341    HA   LEU  44           HA       LEU  44  -5.373   4.141   3.124
  342   1HB   LEU  44          2HB       LEU  44  -4.905   4.838   0.728
  343   2HB   LEU  44          3HB       LEU  44  -5.917   6.248   1.025
  344    HG   LEU  44           HG       LEU  44  -4.449   6.851   2.957
  345   1HD1  LEU  44          1HD1      LEU  44  -2.114   5.634   2.764
  346   2HD1  LEU  44          2HD1      LEU  44  -3.417   4.889   3.692
  347   3HD1  LEU  44          3HD1      LEU  44  -3.073   4.336   2.053
  348   1HD2  LEU  44          1HD2      LEU  44  -3.071   6.495   0.275
  349   2HD2  LEU  44          2HD2      LEU  44  -4.045   7.878   0.771
  350   3HD2  LEU  44          3HD2      LEU  44  -2.502   7.558   1.563
  351    H    HIS  45           H        HIS  45  -6.489   4.469   5.006
  352    HA   HIS  45           HA       HIS  45  -8.507   6.499   5.291
  353   1HB   HIS  45          2HB       HIS  45  -6.988   5.107   7.508
  354   2HB   HIS  45          3HB       HIS  45  -8.585   5.850   7.597
  355    HD1  HIS  45           HD1      HIS  45 -10.582   4.526   6.637
  356    HD2  HIS  45           HD2      HIS  45  -6.934   2.547   6.205
  357    HE1  HIS  45           HE1      HIS  45 -11.128   2.155   5.936
  358    H    GLY  46           H        GLY  46  -7.205   8.270   4.397
  359   1HA   GLY  46          1HA       GLY  46  -4.894   9.237   5.789
  360   2HA   GLY  46          2HA       GLY  46  -5.803  10.097   4.551
  361    H    ALA  47           H        ALA  47  -7.606  11.361   5.152
  362    HA   ALA  47           HA       ALA  47  -8.759  12.840   6.468
  363   1HB   ALA  47          1HB       ALA  47  -9.839  11.917   8.236
  364   2HB   ALA  47          2HB       ALA  47  -9.082  10.424   7.681
  365   3HB   ALA  47          3HB       ALA  47  -8.345  11.356   8.987
  366    H    CYS  48           H        CYS  48  -5.640  12.561   6.463
  367    HA   CYS  48           HA       CYS  48  -4.580  13.573   8.835
  368   1HB   CYS  48          2HB       CYS  48  -3.356  12.762   6.722
  369   2HB   CYS  48          3HB       CYS  48  -3.584  14.402   6.112
  370    HG   CYS  48           HG       CYS  48  -2.028  13.806   8.765
  371    H    GLY  49           H        GLY  49  -6.742  15.030   6.675
  372   1HA   GLY  49          1HA       GLY  49  -7.509  17.213   7.965
  373   2HA   GLY  49          2HA       GLY  49  -5.973  17.778   7.314
  374    H    THR  50           H        THR  50  -8.313  19.035   6.593
  375    HA   THR  50           HA       THR  50  -9.586  18.086   4.279
  376    HB   THR  50           HB       THR  50 -10.383  20.007   5.633
  377    HG1  THR  50           HG1      THR  50 -11.198  21.017   3.902
  378   1HG2  THR  50          1HG2      THR  50  -9.329  22.154   5.507
  379   2HG2  THR  50          2HG2      THR  50  -8.055  20.999   5.899
  380   3HG2  THR  50          3HG2      THR  50  -8.218  21.608   4.251
  381    H    CYS  51           H        CYS  51  -9.038  18.053   2.158
  382    HA   CYS  51           HA       CYS  51  -7.639  18.016   0.326
  383   1HB   CYS  51          2HB       CYS  51  -8.317  20.319   0.152
  384   2HB   CYS  51          3HB       CYS  51  -7.161  20.809   1.390
  385    HG   CYS  51           HG       CYS  51  -6.477  20.789  -1.441
  386    HA   PRO  52           HA       PRO  52  -3.923  17.098   2.959
  387   1HB   PRO  52          2HB       PRO  52  -3.891  14.442   1.848
  388   2HB   PRO  52          3HB       PRO  52  -4.207  14.930   3.518
  389   1HG   PRO  52          2HG       PRO  52  -6.053  13.869   1.731
  390   2HG   PRO  52          3HG       PRO  52  -6.414  14.668   3.266
  391   1HD   PRO  52          2HD       PRO  52  -6.714  15.696   0.509
  392   2HD   PRO  52          3HD       PRO  52  -7.520  16.216   2.005
  393    H    SER  53           H        SER  53  -2.389  18.218   1.901
  394    HA   SER  53           HA       SER  53  -1.731  17.714  -0.874
  395   1HB   SER  53          2HB       SER  53  -1.622  19.992   0.007
  396   2HB   SER  53          3HB       SER  53  -0.436  19.493   1.209
  397    HG   SER  53           HG       SER  53   0.382  20.469  -0.803
  398    H    SER  54           H        SER  54  -0.911  16.345   2.089
  399    HA   SER  54           HA       SER  54   1.812  15.597   1.386
  400   1HB   SER  54          2HB       SER  54   1.425  16.044   3.703
  401   2HB   SER  54          3HB       SER  54   0.027  14.976   3.742
  402    HG   SER  54           HG       SER  54   1.928  13.479   2.862
  403    H    THR  55           H        THR  55  -1.286  13.901   1.955
  404    HA   THR  55           HA       THR  55  -0.535  11.301   1.493
  405    HB   THR  55           HB       THR  55  -3.085  12.618   0.527
  406    HG1  THR  55           HG1      THR  55  -3.442  11.237   2.711
  407   1HG2  THR  55          1HG2      THR  55  -3.865  10.159   1.094
  408   2HG2  THR  55          2HG2      THR  55  -3.139  10.513  -0.472
  409   3HG2  THR  55          3HG2      THR  55  -2.170   9.772   0.801
  410    H    ILE  56           H        ILE  56  -1.057  13.839  -0.897
  411    HA   ILE  56           HA       ILE  56  -1.072  12.277  -3.230
  412    HB   ILE  56           HB       ILE  56  -0.030  15.085  -2.757
  413   1HG1  ILE  56          2HG1      ILE  56  -2.605  14.184  -4.076
  414   2HG1  ILE  56          3HG1      ILE  56  -2.499  14.517  -2.347
  415   1HG2  ILE  56          1HG2      ILE  56  -0.566  13.566  -5.329
  416   2HG2  ILE  56          2HG2      ILE  56  -0.322  15.310  -5.247
  417   3HG2  ILE  56          3HG2      ILE  56   0.982  14.214  -4.787
  418   1HD1  ILE  56          1HD1      ILE  56  -2.049  16.438  -4.639
  419   2HD1  ILE  56          2HD1      ILE  56  -3.240  16.554  -3.344
  420   3HD1  ILE  56          3HD1      ILE  56  -1.528  16.797  -2.991
  421    H    THR  57           H        THR  57   1.622  13.761  -1.451
  422    HA   THR  57           HA       THR  57   3.696  12.856  -3.157
  423    HB   THR  57           HB       THR  57   3.794  13.502  -0.196
  424    HG1  THR  57           HG1      THR  57   4.562  15.537  -1.108
  425   1HG2  THR  57          1HG2      THR  57   6.203  14.092  -0.842
  426   2HG2  THR  57          2HG2      THR  57   5.813  12.374  -0.768
  427   3HG2  THR  57          3HG2      THR  57   5.914  13.190  -2.329
  428    H    LEU  58           H        LEU  58   2.317  11.553  -0.155
  429    HA   LEU  58           HA       LEU  58   3.997   9.341   0.154
  430   1HB   LEU  58          2HB       LEU  58   2.355  10.170   1.845
  431   2HB   LEU  58          3HB       LEU  58   1.058   9.497   0.861
  432    HG   LEU  58           HG       LEU  58   2.137   7.248   1.045
  433   1HD1  LEU  58          1HD1      LEU  58   4.390   7.516   1.501
  434   2HD1  LEU  58          2HD1      LEU  58   4.119   8.892   2.570
  435   3HD1  LEU  58          3HD1      LEU  58   3.796   7.254   3.139
  436   1HD2  LEU  58          1HD2      LEU  58   1.439   6.851   3.351
  437   2HD2  LEU  58          2HD2      LEU  58   1.590   8.567   3.726
  438   3HD2  LEU  58          3HD2      LEU  58   0.339   8.014   2.613
  439    H    LYS  59           H        LYS  59   0.738   9.405  -1.320
  440    HA   LYS  59           HA       LYS  59   0.542   6.817  -2.206
  441   1HB   LYS  59          2HB       LYS  59  -1.157   8.700  -2.437
  442   2HB   LYS  59          3HB       LYS  59  -0.298   9.171  -3.902
  443   1HG   LYS  59          2HG       LYS  59  -0.590   6.755  -4.686
  444   2HG   LYS  59          3HG       LYS  59  -1.719   6.558  -3.343
  445   1HD   LYS  59          2HD       LYS  59  -1.986   8.752  -5.415
  446   2HD   LYS  59          3HD       LYS  59  -2.784   7.189  -5.562
  447   1HE   LYS  59          2HE       LYS  59  -4.439   8.453  -4.509
  448   2HE   LYS  59          3HE       LYS  59  -3.637   7.706  -3.129
  449   1HZ   LYS  59          1HZ       LYS  59  -2.251  10.043  -3.766
  450   1HZ   LYS  59          1HZ       LYS  59  -3.165   9.713  -2.373
  451   3HZ   LYS  59          3HZ       LYS  59  -3.901  10.434  -3.724
  452    H    ALA  60           H        ALA  60   1.911   9.524  -4.084
  453    HA   ALA  60           HA       ALA  60   2.804   7.986  -6.269
  454   1HB   ALA  60          1HB       ALA  60   3.954  10.572  -5.195
  455   2HB   ALA  60          2HB       ALA  60   4.196   9.920  -6.814
  456   3HB   ALA  60          3HB       ALA  60   2.592  10.448  -6.309
  457    H    GLY  61           H        GLY  61   4.147   8.544  -3.103
  458   1HA   GLY  61          1HA       GLY  61   6.843   7.837  -3.639
  459   2HA   GLY  61          2HA       GLY  61   6.057   7.789  -2.062
  460    H    ILE  62           H        ILE  62   4.034   5.976  -2.524
  461    HA   ILE  62           HA       ILE  62   5.381   3.503  -2.228
  462    HB   ILE  62           HB       ILE  62   2.509   3.459  -2.996
  463   1HG1  ILE  62          2HG1      ILE  62   3.611   4.927  -0.583
  464   2HG1  ILE  62          3HG1      ILE  62   2.478   5.529  -1.788
  465   1HG2  ILE  62          1HG2      ILE  62   4.009   1.565  -2.033
  466   2HG2  ILE  62          2HG2      ILE  62   3.830   2.409  -0.494
  467   3HG2  ILE  62          3HG2      ILE  62   2.407   1.790  -1.332
  468   1HD1  ILE  62          1HD1      ILE  62   1.134   3.337  -0.883
  469   2HD1  ILE  62          2HD1      ILE  62   1.981   3.840   0.580
  470   3HD1  ILE  62          3HD1      ILE  62   0.907   4.966  -0.249
  471    H    GLU  63           H        GLU  63   3.089   4.476  -4.808
  472    HA   GLU  63           HA       GLU  63   3.373   2.381  -6.539
  473   1HB   GLU  63          2HB       GLU  63   2.010   4.608  -6.746
  474   2HB   GLU  63          3HB       GLU  63   3.410   5.167  -7.659
  475   1HG   GLU  63          2HG       GLU  63   3.201   3.258  -9.191
  476   2HG   GLU  63          3HG       GLU  63   1.844   2.636  -8.254
  477    H    ARG  64           H        ARG  64   5.427   5.288  -6.484
  478    HA   ARG  64           HA       ARG  64   7.225   4.583  -8.498
  479   1HB   ARG  64          2HB       ARG  64   7.035   6.809  -7.273
  480   2HB   ARG  64          3HB       ARG  64   7.979   6.073  -5.978
  481   1HG   ARG  64          2HG       ARG  64   9.706   5.473  -7.770
  482   2HG   ARG  64          3HG       ARG  64   8.820   6.557  -8.844
  483   1HD   ARG  64          2HD       ARG  64  10.015   7.318  -6.163
  484   2HD   ARG  64          3HD       ARG  64  10.686   7.736  -7.737
  485    HE   ARG  64           HE       ARG  64   8.408   8.979  -6.438
  486   1HH1  ARG  64          1HH2      ARG  64  10.740   9.280  -8.834
  487   2HH1  ARG  64          2HH2      ARG  64   9.771  10.222  -9.919
  488   1HH2  ARG  64          1HH1      ARG  64   6.855   9.809  -8.093
  489   2HH2  ARG  64          2HH1      ARG  64   7.576  10.523  -9.498
  490    H    ALA  65           H        ALA  65   7.193   3.763  -5.052
  491    HA   ALA  65           HA       ALA  65   9.711   2.556  -4.848
  492   1HB   ALA  65          1HB       ALA  65   8.990   1.685  -2.817
  493   2HB   ALA  65          2HB       ALA  65   7.890   3.050  -3.026
  494   3HB   ALA  65          3HB       ALA  65   7.348   1.413  -3.398
  495    H    LEU  66           H        LEU  66   6.582   1.192  -5.849
  496    HA   LEU  66           HA       LEU  66   7.394  -1.487  -6.110
  497   1HB   LEU  66          2HB       LEU  66   5.396  -0.106  -7.912
  498   2HB   LEU  66          3HB       LEU  66   5.442  -1.807  -7.457
  499    HG   LEU  66           HG       LEU  66   4.933   0.514  -5.566
  500   1HD1  LEU  66          1HD1      LEU  66   2.659  -0.177  -5.532
  501   2HD1  LEU  66          2HD1      LEU  66   3.104  -0.166  -7.238
  502   3HD1  LEU  66          3HD1      LEU  66   3.025  -1.692  -6.359
  503   1HD2  LEU  66          1HD2      LEU  66   5.368  -2.430  -5.186
  504   2HD2  LEU  66          2HD2      LEU  66   5.894  -1.083  -4.177
  505   3HD2  LEU  66          3HD2      LEU  66   4.212  -1.609  -4.140
  506    H    HIS  67           H        HIS  67   7.245   1.089  -8.581
  507    HA   HIS  67           HA       HIS  67   8.400  -0.389 -10.678
  508   1HB   HIS  67          2HB       HIS  67   8.276   2.567 -10.086
  509   2HB   HIS  67          3HB       HIS  67   9.061   1.940 -11.536
  510    HD1  HIS  67           HD1      HIS  67   7.446   2.261 -13.411
  511    HD2  HIS  67           HD2      HIS  67   5.549   0.863  -9.972
  512    HE1  HIS  67           HE1      HIS  67   5.034   1.825 -14.049
  513    H    GLU  68           H        GLU  68   9.956   2.061  -8.609
  514    HA   GLU  68           HA       GLU  68  12.602   1.478  -9.437
  515   1HB   GLU  68          2HB       GLU  68  11.595   3.558  -8.192
  516   2HB   GLU  68          3HB       GLU  68  11.987   2.638  -6.742
  517   1HG   GLU  68          2HG       GLU  68  14.330   2.333  -7.839
  518   2HG   GLU  68          3HG       GLU  68  13.851   3.676  -8.873
  519    H    GLU  69           H        GLU  69  10.492  -0.288  -7.476
  520    HA   GLU  69           HA       GLU  69  12.601  -2.106  -6.693
  521   1HB   GLU  69          2HB       GLU  69  11.684  -0.109  -4.846
  522   2HB   GLU  69          3HB       GLU  69  11.142  -1.691  -4.283
  523   1HG   GLU  69          2HG       GLU  69  13.443  -2.558  -4.503
  524   2HG   GLU  69          3HG       GLU  69  13.986  -0.975  -5.054
  525    H    VAL  70           H        VAL  70  11.620  -3.717  -7.742
  526    HA   VAL  70           HA       VAL  70  10.311  -5.585  -7.954
  527    HB   VAL  70           HB       VAL  70   8.708  -4.401  -5.683
  528   1HG1  VAL  70          1HG1      VAL  70   8.167  -7.018  -5.570
  529   2HG1  VAL  70          2HG1      VAL  70   7.204  -5.922  -6.557
  530   3HG1  VAL  70          3HG1      VAL  70   8.467  -6.899  -7.304
  531   1HG2  VAL  70          1HG2      VAL  70  10.796  -6.600  -5.732
  532   2HG2  VAL  70          2HG2      VAL  70  11.052  -4.972  -5.105
  533   3HG2  VAL  70          3HG2      VAL  70   9.907  -6.051  -4.311
  534    HA   PRO  71           HA       PRO  71   7.457  -2.893 -10.410
  535   1HB   PRO  71          2HB       PRO  71   8.639  -3.998 -12.800
  536   2HB   PRO  71          3HB       PRO  71   8.716  -2.334 -12.212
  537   1HG   PRO  71          2HG       PRO  71  10.837  -4.097 -12.345
  538   2HG   PRO  71          3HG       PRO  71  10.781  -2.621 -11.372
  539   1HD   PRO  71          2HD       PRO  71  10.456  -5.453 -10.510
  540   2HD   PRO  71          3HD       PRO  71  11.085  -4.057  -9.607
  541    H    GLY  72           H        GLY  72   6.871  -4.232 -12.964
  542   1HA   GLY  72          1HA       GLY  72   5.855  -6.194 -13.808
  543   2HA   GLY  72          2HA       GLY  72   5.815  -6.850 -12.174
  544    H    VAL  73           H        VAL  73   4.780  -4.114 -11.281
  545    HA   VAL  73           HA       VAL  73   2.023  -4.759 -11.230
  546    HB   VAL  73           HB       VAL  73   1.743  -2.729 -10.032
  547   1HG1  VAL  73          1HG1      VAL  73   3.411  -4.550  -9.141
  548   2HG1  VAL  73          2HG1      VAL  73   4.628  -3.303  -9.418
  549   3HG1  VAL  73          3HG1      VAL  73   3.292  -3.002  -8.305
  550   1HG2  VAL  73          1HG2      VAL  73   4.146  -1.854 -11.613
  551   2HG2  VAL  73          2HG2      VAL  73   2.618  -1.011 -11.355
  552   3HG2  VAL  73          3HG2      VAL  73   3.813  -1.087 -10.059
  553    H    ILE  74           H        ILE  74   0.272  -3.732 -12.191
  554    HA   ILE  74           HA       ILE  74   0.891  -2.317 -14.712
  555    HB   ILE  74           HB       ILE  74  -1.662  -3.764 -14.603
  556   1HG1  ILE  74          2HG1      ILE  74   0.979  -5.235 -14.385
  557   2HG1  ILE  74          3HG1      ILE  74  -0.453  -5.433 -13.378
  558   1HG2  ILE  74          1HG2      ILE  74   0.615  -4.014 -16.576
  559   2HG2  ILE  74          2HG2      ILE  74  -1.109  -4.246 -16.869
  560   3HG2  ILE  74          3HG2      ILE  74  -0.473  -2.626 -16.584
  561   1HD1  ILE  74          1HD1      ILE  74   0.049  -6.405 -16.166
  562   2HD1  ILE  74          2HD1      ILE  74  -0.688  -7.246 -14.805
  563   3HD1  ILE  74          3HD1      ILE  74  -1.607  -6.026 -15.687
  564    H    GLU  75           H        GLU  75  -1.153  -2.588 -11.886
  565    HA   GLU  75           HA       GLU  75  -1.997   0.172 -12.146
  566   1HB   GLU  75          2HB       GLU  75  -3.963  -2.108 -12.447
  567   2HB   GLU  75          3HB       GLU  75  -4.455  -0.490 -11.948
  568   1HG   GLU  75          2HG       GLU  75  -3.193   0.316 -14.071
  569   2HG   GLU  75          3HG       GLU  75  -3.278  -1.369 -14.581
  570    H    VAL  76           H        VAL  76  -2.994   0.965 -10.222
  571    HA   VAL  76           HA       VAL  76  -3.240  -0.831  -7.935
  572    HB   VAL  76           HB       VAL  76  -0.830  -0.108  -8.007
  573   1HG1  VAL  76          1HG1      VAL  76  -0.194   2.125  -7.832
  574   2HG1  VAL  76          2HG1      VAL  76  -1.606   2.256  -8.881
  575   3HG1  VAL  76          3HG1      VAL  76  -1.746   2.624  -7.161
  576   1HG2  VAL  76          1HG2      VAL  76  -2.215   1.148  -5.639
  577   2HG2  VAL  76          2HG2      VAL  76  -2.247  -0.598  -5.886
  578   3HG2  VAL  76          3HG2      VAL  76  -0.708   0.236  -5.676
  579    H    GLU  77           H        GLU  77  -5.117  -0.313  -7.006
  580    HA   GLU  77           HA       GLU  77  -6.218   2.379  -7.461
  581   1HB   GLU  77          2HB       GLU  77  -7.693   0.128  -6.124
  582   2HB   GLU  77          3HB       GLU  77  -8.340   1.476  -7.055
  583   1HG   GLU  77          2HG       GLU  77  -6.704  -0.825  -8.173
  584   2HG   GLU  77          3HG       GLU  77  -8.442  -0.616  -8.355
  585    H    GLN  78           H        GLN  78  -6.201   3.890  -5.959
  586    HA   GLN  78           HA       GLN  78  -5.851   3.120  -3.117
  587   1HB   GLN  78          2HB       GLN  78  -4.722   5.411  -4.718
  588   2HB   GLN  78          3HB       GLN  78  -4.853   5.504  -2.964
  589   1HG   GLN  78          2HG       GLN  78  -3.699   2.970  -3.864
  590   2HG   GLN  78          3HG       GLN  78  -2.751   4.360  -4.383
  591   1HE2  GLN  78          2HE2      GLN  78  -4.639   4.630  -1.421
  592   2HE2  GLN  78          1HE2      GLN  78  -3.320   4.557  -0.358
  593    H    VAL  79           H        VAL  79  -8.183   3.029  -2.917
  594    HA   VAL  79           HA       VAL  79  -9.635   5.547  -3.297
  595    HB   VAL  79           HB       VAL  79 -11.583   4.021  -2.462
  596   1HG1  VAL  79          1HG1      VAL  79 -11.838   3.134  -4.773
  597   2HG1  VAL  79          2HG1      VAL  79 -11.359   4.831  -4.763
  598   3HG1  VAL  79          3HG1      VAL  79 -10.164   3.581  -5.108
  599   1HG2  VAL  79          1HG2      VAL  79 -11.255   1.682  -2.626
  600   2HG2  VAL  79          2HG2      VAL  79  -9.720   1.868  -3.476
  601   3HG2  VAL  79          3HG2      VAL  79  -9.828   2.241  -1.754
  602    H    PHE  80           H        PHE  80 -10.980   6.430  -1.639
  603    HA   PHE  80           HA       PHE  80  -9.771   6.211   1.038
  604   1HB   PHE  80          2HB       PHE  80 -11.100   8.356  -0.511
  605   2HB   PHE  80          3HB       PHE  80 -11.478   8.315   1.209
  606    HD1  PHE  80           HD1      PHE  80 -10.226   9.953   2.292
  607    HD2  PHE  80           HD2      PHE  80  -8.335   7.511  -0.697
  608    HE1  PHE  80           HE1      PHE  80  -8.047  11.026   2.794
  609    HE2  PHE  80           HE2      PHE  80  -6.157   8.584  -0.192
  610    HZ   PHE  80           HZ       PHE  80  -6.014  10.340   1.552
  611    H    LEU  81           H        LEU  81 -11.513   6.778   2.815
  612    HA   LEU  81           HA       LEU  81 -13.606   4.739   2.530
  613   1HB   LEU  81          2HB       LEU  81 -12.068   4.760   4.535
  614   2HB   LEU  81          3HB       LEU  81 -12.832   6.272   5.023
  615    HG   LEU  81           HG       LEU  81 -15.061   4.859   4.658
  616   1HD1  LEU  81          1HD1      LEU  81 -14.870   2.551   4.954
  617   2HD1  LEU  81          2HD1      LEU  81 -13.476   2.892   3.930
  618   3HD1  LEU  81          3HD1      LEU  81 -13.263   2.672   5.666
  619   1HD2  LEU  81          1HD2      LEU  81 -14.955   4.251   7.076
  620   2HD2  LEU  81          2HD2      LEU  81 -13.230   4.620   7.068
  621   3HD2  LEU  81          3HD2      LEU  81 -14.409   5.899   6.774
  622    H    GLU  82           H        GLU  82 -14.858   6.024   1.084
  623    HA   GLU  82           HA       GLU  82 -15.863   8.527   1.254
  624   1HB   GLU  82          2HB       GLU  82 -18.151   7.294   0.571
  625   2HB   GLU  82          3HB       GLU  82 -16.791   7.450  -0.538
  626   1HG   GLU  82          2HG       GLU  82 -16.028   5.226  -0.061
  627   2HG   GLU  82          3HG       GLU  82 -17.127   5.073   1.308
  628    H    HIS  83           H        HIS  83 -18.229   6.146   2.300
  629    HA   HIS  83           HA       HIS  83 -19.587   7.793   4.071
  630   1HB   HIS  83          2HB       HIS  83 -20.316   5.569   5.155
  631   2HB   HIS  83          3HB       HIS  83 -20.683   5.792   3.446
  632    HD1  HIS  83           HD1      HIS  83 -17.167   5.252   3.556
  633    HD2  HIS  83           HD2      HIS  83 -20.469   2.731   3.882
  634    HE1  HIS  83           HE1      HIS  83 -16.334   2.918   3.051
  635    H    HIS  84           H        HIS  84 -18.259   8.965   5.430
  636    HA   HIS  84           HA       HIS  84 -16.126   7.925   6.944
  637   1HB   HIS  84          2HB       HIS  84 -16.614  10.371   6.447
  638   2HB   HIS  84          3HB       HIS  84 -17.813  10.302   7.738
  639    HD1  HIS  84           HD1      HIS  84 -16.922   9.816  10.170
  640    HD2  HIS  84           HD2      HIS  84 -13.934  10.422   7.328
  641    HE1  HIS  84           HE1      HIS  84 -14.774  10.176  11.458
  642    H    HIS  85           H        HIS  85 -16.026   6.821   8.780
  643    HA   HIS  85           HA       HIS  85 -18.487   5.979  10.082
  644   1HB   HIS  85          2HB       HIS  85 -17.063   4.434  11.308
  645   2HB   HIS  85          3HB       HIS  85 -16.639   4.378   9.599
  646    HD1  HIS  85           HD1      HIS  85 -15.137   7.356  10.140
  647    HD2  HIS  85           HD2      HIS  85 -14.270   3.608  11.750
  648    HE1  HIS  85           HE1      HIS  85 -12.726   7.445  10.903
  649    H    HIS  86           H        HIS  86 -17.805   5.680  12.700
  650    HA   HIS  86           HA       HIS  86 -17.292   8.453  13.601
  651   1HB   HIS  86          2HB       HIS  86 -19.652   7.857  13.897
  652   2HB   HIS  86          3HB       HIS  86 -19.188   6.413  14.796
  653    HD1  HIS  86           HD1      HIS  86 -20.721   7.751  16.683
  654    HD2  HIS  86           HD2      HIS  86 -16.928   9.280  15.878
  655    HE1  HIS  86           HE1      HIS  86 -20.119   9.238  18.641
  656    H    HIS  87           H        HIS  87 -15.065   7.188  13.400
  657    HA   HIS  87           HA       HIS  87 -13.274   6.167  14.444
  658   1HB   HIS  87          2HB       HIS  87 -14.522   7.739  16.710
  659   2HB   HIS  87          3HB       HIS  87 -12.903   7.042  16.758
  660    HD1  HIS  87           HD1      HIS  87 -14.624  10.069  15.846
  661    HD2  HIS  87           HD2      HIS  87 -11.275   8.052  14.402
  662    HE1  HIS  87           HE1      HIS  87 -13.307  11.750  14.484
  663    H    HIS  88           H        HIS  88 -15.871   4.670  14.472
  664    HA   HIS  88           HA       HIS  88 -15.941   3.238  16.980
  665   1HB   HIS  88          2HB       HIS  88 -17.948   3.652  15.512
  666   2HB   HIS  88          3HB       HIS  88 -17.267   2.509  14.356
  667    HD1  HIS  88           HD1      HIS  88 -17.118   2.054  18.115
  668    HD2  HIS  88           HD2      HIS  88 -19.078   0.423  14.817
  669    HE1  HIS  88           HE1      HIS  88 -18.312  -0.019  18.945
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1   5.949 -30.988  -3.906
    2   2H    MET   1          2HT       MET   1   5.228 -30.860  -5.439
    3   3H    MET   1          3HT       MET   1   5.046 -32.282  -4.530
    4    HA   MET   1           HA       MET   1   3.159 -30.489  -4.628
    5   1HB   MET   1          2HB       MET   1   2.506 -31.258  -2.309
    6   2HB   MET   1          3HB       MET   1   2.927 -32.562  -3.418
    7   1HG   MET   1          2HG       MET   1   5.080 -31.372  -1.692
    8   2HG   MET   1          3HG       MET   1   3.950 -32.520  -0.981
    9   1HE   MET   1          1HE       MET   1   7.319 -32.224  -2.694
   10   2HE   MET   1          2HE       MET   1   7.658 -33.878  -2.192
   11   3HE   MET   1          3HE       MET   1   6.925 -32.753  -1.051
   12    HA   PRO   2           HA       PRO   2   6.079 -27.219  -2.654
   13   1HB   PRO   2          2HB       PRO   2   4.819 -25.381  -4.479
   14   2HB   PRO   2          3HB       PRO   2   6.511 -25.899  -4.443
   15   1HG   PRO   2          2HG       PRO   2   4.329 -26.789  -6.167
   16   2HG   PRO   2          3HG       PRO   2   6.078 -26.948  -6.381
   17   1HD   PRO   2          2HD       PRO   2   4.439 -29.064  -5.810
   18   2HD   PRO   2          3HD       PRO   2   6.153 -29.005  -5.341
   19    H    THR   3           H        THR   3   5.365 -25.980  -0.991
   20    HA   THR   3           HA       THR   3   2.735 -26.133  -0.042
   21    HB   THR   3           HB       THR   3   3.687 -23.852   1.147
   22    HG1  THR   3           HG1      THR   3   5.795 -23.814   1.063
   23   1HG2  THR   3          1HG2      THR   3   4.215 -26.765   1.761
   24   2HG2  THR   3          2HG2      THR   3   4.582 -25.457   2.887
   25   3HG2  THR   3          3HG2      THR   3   2.916 -25.751   2.390
   26    H    GLU   4           H        GLU   4   1.245 -24.331   0.348
   27    HA   GLU   4           HA       GLU   4   1.347 -22.089  -1.499
   28   1HB   GLU   4          2HB       GLU   4   0.250 -24.218  -2.611
   29   2HB   GLU   4          3HB       GLU   4  -1.139 -23.761  -1.626
   30   1HG   GLU   4          2HG       GLU   4  -0.749 -21.372  -2.594
   31   2HG   GLU   4          3HG       GLU   4   0.205 -22.199  -3.824
   32    H    ASN   5           H        ASN   5   1.431 -22.339   1.330
   33    HA   ASN   5           HA       ASN   5  -1.202 -21.316   2.181
   34   1HB   ASN   5          2HB       ASN   5   0.498 -23.183   3.357
   35   2HB   ASN   5          3HB       ASN   5   0.759 -21.719   4.300
   36   1HD2  ASN   5          2HD2      ASN   5  -1.400 -20.576   4.985
   37   2HD2  ASN   5          1HD2      ASN   5  -2.677 -21.597   5.440
   38    HA   PRO   6           HA       PRO   6   1.895 -17.940   3.571
   39   1HB   PRO   6          2HB       PRO   6   4.495 -18.391   2.395
   40   2HB   PRO   6          3HB       PRO   6   4.051 -18.418   4.106
   41   1HG   PRO   6          2HG       PRO   6   4.843 -20.605   2.640
   42   2HG   PRO   6          3HG       PRO   6   3.932 -20.666   4.155
   43   1HD   PRO   6          2HD       PRO   6   2.947 -20.991   1.351
   44   2HD   PRO   6          3HD       PRO   6   2.388 -21.775   2.846
   45    H    THR   7           H        THR   7   0.296 -17.869   1.424
   46    HA   THR   7           HA       THR   7   1.533 -17.088  -1.020
   47    HB   THR   7           HB       THR   7  -0.667 -16.571  -1.779
   48    HG1  THR   7           HG1      THR   7  -1.834 -15.461  -0.456
   49   1HG2  THR   7          1HG2      THR   7  -1.155 -18.698   0.308
   50   2HG2  THR   7          2HG2      THR   7  -1.822 -18.588  -1.320
   51   3HG2  THR   7          3HG2      THR   7  -0.122 -18.996  -1.089
   52    H    MET   8           H        MET   8   0.735 -14.852  -1.975
   53    HA   MET   8           HA       MET   8   2.270 -12.823  -0.916
   54   1HB   MET   8          2HB       MET   8  -0.221 -12.718  -2.621
   55   2HB   MET   8          3HB       MET   8   0.697 -11.271  -2.203
   56   1HG   MET   8          2HG       MET   8   1.529 -12.021  -4.323
   57   2HG   MET   8          3HG       MET   8   2.752 -12.442  -3.125
   58   1HE   MET   8          1HE       MET   8  -0.033 -15.163  -5.506
   59   2HE   MET   8          2HE       MET   8   0.288 -13.443  -5.705
   60   3HE   MET   8          3HE       MET   8  -0.714 -13.994  -4.365
   61    H    PHE   9           H        PHE   9  -1.233 -13.265  -0.507
   62    HA   PHE   9           HA       PHE   9  -1.957 -11.150   1.030
   63   1HB   PHE   9          2HB       PHE   9  -3.427 -13.040   0.315
   64   2HB   PHE   9          3HB       PHE   9  -2.757 -14.003   1.629
   65    HD1  PHE   9           HD1      PHE   9  -4.918 -11.162   0.752
   66    HD2  PHE   9           HD2      PHE   9  -3.234 -13.450   3.977
   67    HE1  PHE   9           HE1      PHE   9  -6.543 -10.144   2.324
   68    HE2  PHE   9           HE2      PHE   9  -4.857 -12.428   5.549
   69    HZ   PHE   9           HZ       PHE   9  -6.512 -10.777   4.721
   70    H    ASP  10           H        ASP  10  -0.194 -14.001   2.131
   71    HA   ASP  10           HA       ASP  10  -0.234 -13.504   4.891
   72   1HB   ASP  10          2HB       ASP  10   0.553 -15.600   3.671
   73   2HB   ASP  10          3HB       ASP  10   2.072 -14.754   3.394
   74    H    GLN  11           H        GLN  11   2.457 -12.866   2.640
   75    HA   GLN  11           HA       GLN  11   4.009 -11.333   4.409
   76   1HB   GLN  11          2HB       GLN  11   4.308 -12.319   1.852
   77   2HB   GLN  11          3HB       GLN  11   4.264 -10.579   1.588
   78   1HG   GLN  11          2HG       GLN  11   6.043 -10.241   3.227
   79   2HG   GLN  11          3HG       GLN  11   6.061 -11.963   3.601
   80   1HE2  GLN  11          2HE2      GLN  11   5.617 -10.888   0.263
   81   2HE2  GLN  11          1HE2      GLN  11   7.148 -11.378  -0.284
   82    H    VAL  12           H        VAL  12   2.018 -10.146   1.688
   83    HA   VAL  12           HA       VAL  12   2.365  -7.449   2.125
   84    HB   VAL  12           HB       VAL  12   0.345  -7.105   0.865
   85   1HG1  VAL  12          1HG1      VAL  12   2.389  -8.225  -0.155
   86   2HG1  VAL  12          2HG1      VAL  12   1.479  -9.732  -0.058
   87   3HG1  VAL  12          3HG1      VAL  12   0.874  -8.400  -1.041
   88   1HG2  VAL  12          1HG2      VAL  12  -0.301  -9.928   1.729
   89   2HG2  VAL  12          2HG2      VAL  12  -1.292  -8.481   1.917
   90   3HG2  VAL  12          3HG2      VAL  12  -1.066  -9.195   0.322
   91    H    ALA  13           H        ALA  13  -0.399  -9.373   3.303
   92    HA   ALA  13           HA       ALA  13  -1.526  -7.431   4.881
   93   1HB   ALA  13          1HB       ALA  13  -1.424 -10.363   5.612
   94   2HB   ALA  13          2HB       ALA  13  -2.660  -9.192   6.069
   95   3HB   ALA  13          3HB       ALA  13  -2.506  -9.698   4.388
   96    H    GLU  14           H        GLU  14   1.057  -9.716   5.618
   97    HA   GLU  14           HA       GLU  14   1.360  -9.113   8.364
   98   1HB   GLU  14          2HB       GLU  14   2.342 -11.101   7.282
   99   2HB   GLU  14          3HB       GLU  14   3.453 -10.063   6.393
  100   1HG   GLU  14          2HG       GLU  14   3.317  -9.857   9.384
  101   2HG   GLU  14          3HG       GLU  14   4.222 -11.178   8.648
  102    H    VAL  15           H        VAL  15   3.297  -8.013   5.587
  103    HA   VAL  15           HA       VAL  15   4.878  -6.172   6.997
  104    HB   VAL  15           HB       VAL  15   4.043  -6.153   4.086
  105   1HG1  VAL  15          1HG1      VAL  15   6.212  -4.688   5.611
  106   2HG1  VAL  15          2HG1      VAL  15   6.217  -4.864   3.856
  107   3HG1  VAL  15          3HG1      VAL  15   4.912  -3.983   4.651
  108   1HG2  VAL  15          1HG2      VAL  15   6.546  -7.220   5.435
  109   2HG2  VAL  15          2HG2      VAL  15   5.200  -8.224   4.901
  110   3HG2  VAL  15          3HG2      VAL  15   6.151  -7.326   3.719
  111    H    ILE  16           H        ILE  16   1.894  -5.628   5.116
  112    HA   ILE  16           HA       ILE  16   1.699  -2.869   5.424
  113    HB   ILE  16           HB       ILE  16  -0.446  -4.988   5.197
  114   1HG1  ILE  16          2HG1      ILE  16   0.318  -2.942   3.128
  115   2HG1  ILE  16          3HG1      ILE  16   1.328  -4.372   3.342
  116   1HG2  ILE  16          1HG2      ILE  16  -0.666  -1.965   5.178
  117   2HG2  ILE  16          2HG2      ILE  16  -1.906  -3.026   4.510
  118   3HG2  ILE  16          3HG2      ILE  16  -1.520  -3.095   6.229
  119   1HD1  ILE  16          1HD1      ILE  16  -0.372  -5.834   2.683
  120   2HD1  ILE  16          2HD1      ILE  16  -1.650  -4.684   3.067
  121   3HD1  ILE  16          3HD1      ILE  16  -0.656  -4.451   1.630
  122    H    GLU  17           H        GLU  17   0.227  -5.399   7.474
  123    HA   GLU  17           HA       GLU  17  -0.977  -3.797   9.382
  124   1HB   GLU  17          2HB       GLU  17  -0.882  -6.401   9.121
  125   2HB   GLU  17          3HB       GLU  17   0.486  -6.279  10.223
  126   1HG   GLU  17          2HG       GLU  17  -2.264  -5.116  10.761
  127   2HG   GLU  17          3HG       GLU  17  -1.687  -6.651  11.405
  128    H    ARG  18           H        ARG  18   2.369  -4.997   9.339
  129    HA   ARG  18           HA       ARG  18   3.164  -3.789  11.774
  130   1HB   ARG  18          2HB       ARG  18   4.316  -5.655  10.416
  131   2HB   ARG  18          3HB       ARG  18   5.021  -4.346   9.469
  132   1HG   ARG  18          2HG       ARG  18   6.639  -4.673  11.131
  133   2HG   ARG  18          3HG       ARG  18   5.680  -3.354  11.803
  134   1HD   ARG  18          2HD       ARG  18   4.275  -5.401  12.805
  135   2HD   ARG  18          3HD       ARG  18   5.828  -6.216  12.642
  136    HE   ARG  18           HE       ARG  18   5.424  -3.735  14.215
  137   1HH1  ARG  18          1HH2      ARG  18   8.266  -4.303  13.710
  138   2HH1  ARG  18          2HH2      ARG  18   8.720  -5.313  15.043
  139   1HH2  ARG  18          1HH1      ARG  18   5.458  -6.107  15.900
  140   2HH2  ARG  18          2HH1      ARG  18   7.132  -6.330  16.286
  141    H    LEU  19           H        LEU  19   3.234  -2.689   8.413
  142    HA   LEU  19           HA       LEU  19   4.700  -0.283   8.985
  143   1HB   LEU  19          2HB       LEU  19   4.533  -1.571   6.752
  144   2HB   LEU  19          3HB       LEU  19   3.004  -0.717   6.541
  145    HG   LEU  19           HG       LEU  19   4.426   1.407   7.165
  146   1HD1  LEU  19          1HD1      LEU  19   6.582  -0.344   5.966
  147   2HD1  LEU  19          2HD1      LEU  19   6.749   1.289   6.612
  148   3HD1  LEU  19          3HD1      LEU  19   6.437  -0.064   7.701
  149   1HD2  LEU  19          1HD2      LEU  19   3.337   0.964   4.974
  150   2HD2  LEU  19          2HD2      LEU  19   4.903   1.756   4.784
  151   3HD2  LEU  19          3HD2      LEU  19   4.748   0.024   4.481
  152    H    ARG  20           H        ARG  20   1.328  -1.169   8.949
  153    HA   ARG  20           HA       ARG  20  -0.072   1.084   8.442
  154   1HB   ARG  20          2HB       ARG  20  -0.448  -1.189  10.240
  155   2HB   ARG  20          3HB       ARG  20  -1.299   0.259  10.770
  156   1HG   ARG  20          2HG       ARG  20  -2.309   0.485   8.525
  157   2HG   ARG  20          3HG       ARG  20  -1.477  -0.981   8.007
  158   1HD   ARG  20          2HD       ARG  20  -2.750  -2.356   9.424
  159   2HD   ARG  20          3HD       ARG  20  -3.236  -1.006  10.446
  160    HE   ARG  20           HE       ARG  20  -4.196  -1.162   7.657
  161   1HH1  ARG  20          1HH2      ARG  20  -5.069  -2.320  10.680
  162   2HH1  ARG  20          2HH2      ARG  20  -6.630  -1.573  10.725
  163   1HH2  ARG  20          1HH1      ARG  20  -6.101   0.336   7.883
  164   2HH2  ARG  20          2HH1      ARG  20  -7.216  -0.075   9.145
  165    HA   PRO  21           HA       PRO  21   0.485   2.737  13.084
  166   1HB   PRO  21          2HB       PRO  21   3.190   1.997  13.746
  167   2HB   PRO  21          3HB       PRO  21   1.695   1.576  14.595
  168   1HG   PRO  21          2HG       PRO  21   3.285  -0.004  12.730
  169   2HG   PRO  21          3HG       PRO  21   2.082  -0.526  13.915
  170   1HD   PRO  21          2HD       PRO  21   1.642  -0.602  11.222
  171   2HD   PRO  21          3HD       PRO  21   0.337  -0.386  12.409
  172    H    PHE  22           H        PHE  22   3.187   2.408  10.799
  173    HA   PHE  22           HA       PHE  22   4.286   5.006  11.371
  174   1HB   PHE  22          2HB       PHE  22   4.744   2.983   9.177
  175   2HB   PHE  22          3HB       PHE  22   5.557   4.548   9.198
  176    HD1  PHE  22           HD1      PHE  22   5.578   1.190  10.459
  177    HD2  PHE  22           HD2      PHE  22   6.835   5.201  11.343
  178    HE1  PHE  22           HE1      PHE  22   7.228   0.313  12.089
  179    HE2  PHE  22           HE2      PHE  22   8.487   4.326  12.972
  180    HZ   PHE  22           HZ       PHE  22   8.685   1.881  13.345
  181    H    LEU  23           H        LEU  23   2.319   3.629   8.759
  182    HA   LEU  23           HA       LEU  23   2.112   5.917   7.158
  183   1HB   LEU  23          2HB       LEU  23   0.723   3.344   7.420
  184   2HB   LEU  23          3HB       LEU  23  -0.311   4.643   6.825
  185    HG   LEU  23           HG       LEU  23   1.355   5.177   5.083
  186   1HD1  LEU  23          1HD1      LEU  23   2.886   3.042   6.536
  187   2HD1  LEU  23          2HD1      LEU  23   3.127   3.237   4.800
  188   3HD1  LEU  23          3HD1      LEU  23   3.456   4.582   5.892
  189   1HD2  LEU  23          1HD2      LEU  23   0.704   2.213   5.106
  190   2HD2  LEU  23          2HD2      LEU  23  -0.459   3.474   4.693
  191   3HD2  LEU  23          3HD2      LEU  23   0.969   3.229   3.688
  192    H    LEU  24           H        LEU  24   0.231   4.871   9.959
  193    HA   LEU  24           HA       LEU  24  -1.878   6.684   9.851
  194   1HB   LEU  24          2HB       LEU  24  -1.239   4.734  11.546
  195   2HB   LEU  24          3HB       LEU  24  -0.638   6.086  12.502
  196    HG   LEU  24           HG       LEU  24  -3.431   5.942  11.328
  197   1HD1  LEU  24          1HD1      LEU  24  -4.202   5.388  13.556
  198   2HD1  LEU  24          2HD1      LEU  24  -2.967   4.215  13.100
  199   3HD1  LEU  24          3HD1      LEU  24  -2.569   5.530  14.205
  200   1HD2  LEU  24          1HD2      LEU  24  -1.950   7.888  13.094
  201   2HD2  LEU  24          2HD2      LEU  24  -2.937   8.218  11.669
  202   3HD2  LEU  24          3HD2      LEU  24  -3.706   7.757  13.186
  203    H    ARG  25           H        ARG  25   1.134   7.066  11.719
  204    HA   ARG  25           HA       ARG  25   0.716   9.683  12.566
  205   1HB   ARG  25          2HB       ARG  25   3.181   8.022  12.149
  206   2HB   ARG  25          3HB       ARG  25   3.314   9.707  12.654
  207   1HG   ARG  25          2HG       ARG  25   1.348   8.009  14.124
  208   2HG   ARG  25          3HG       ARG  25   3.057   7.691  14.422
  209   1HD   ARG  25          2HD       ARG  25   2.344   9.330  16.034
  210   2HD   ARG  25          3HD       ARG  25   3.356  10.160  14.858
  211    HE   ARG  25           HE       ARG  25   1.297  11.045  13.860
  212   1HH1  ARG  25          1HH2      ARG  25  -0.802   9.286  14.916
  213   2HH1  ARG  25          2HH2      ARG  25  -1.456  10.182  16.246
  214   1HH2  ARG  25          1HH1      ARG  25   1.259  12.322  16.485
  215   2HH2  ARG  25          2HH1      ARG  25  -0.285  11.891  17.141
  216    H    ASP  26           H        ASP  26   2.083   8.553   9.480
  217    HA   ASP  26           HA       ASP  26   2.630  11.356   8.754
  218   1HB   ASP  26          2HB       ASP  26   3.450   8.733   7.506
  219   2HB   ASP  26          3HB       ASP  26   3.754  10.298   6.753
  220    H    GLY  27           H        GLY  27   1.160   8.505   7.142
  221   1HA   GLY  27          1HA       GLY  27  -0.370  10.345   5.431
  222   2HA   GLY  27          2HA       GLY  27  -0.143   8.623   5.155
  223    H    GLY  28           H        GLY  28  -1.240   7.138   6.684
  224   1HA   GLY  28          1HA       GLY  28  -3.269   7.914   8.462
  225   2HA   GLY  28          2HA       GLY  28  -3.997   7.700   6.872
  226    H    ASP  29           H        ASP  29  -5.158   5.855   7.243
  227    HA   ASP  29           HA       ASP  29  -3.639   3.462   8.094
  228   1HB   ASP  29          2HB       ASP  29  -6.540   4.218   8.444
  229   2HB   ASP  29          3HB       ASP  29  -5.962   2.566   8.655
  230    H    CYS  30           H        CYS  30  -3.339   1.941   6.620
  231    HA   CYS  30           HA       CYS  30  -4.624   2.149   4.024
  232   1HB   CYS  30          2HB       CYS  30  -2.308   1.645   3.935
  233   2HB   CYS  30          3HB       CYS  30  -2.455   0.381   5.156
  234    HG   CYS  30           HG       CYS  30  -3.907   0.004   2.421
  235    H    THR  31           H        THR  31  -5.681   0.316   2.998
  236    HA   THR  31           HA       THR  31  -6.749  -1.754   4.779
  237    HB   THR  31           HB       THR  31  -8.599  -0.020   3.127
  238    HG1  THR  31           HG1      THR  31  -7.485   0.948   5.045
  239   1HG2  THR  31          1HG2      THR  31 -10.348  -1.165   4.350
  240   2HG2  THR  31          2HG2      THR  31  -9.284  -2.380   3.644
  241   3HG2  THR  31          3HG2      THR  31  -9.161  -1.988   5.359
  242    H    LEU  32           H        LEU  32  -6.338  -3.585   3.742
  243    HA   LEU  32           HA       LEU  32  -5.943  -3.732   0.902
  244   1HB   LEU  32          2HB       LEU  32  -4.963  -5.204   2.881
  245   2HB   LEU  32          3HB       LEU  32  -6.398  -6.178   2.565
  246    HG   LEU  32           HG       LEU  32  -5.653  -5.978   0.053
  247   1HD1  LEU  32          1HD1      LEU  32  -2.965  -5.693   1.412
  248   2HD1  LEU  32          2HD1      LEU  32  -3.316  -5.658  -0.315
  249   3HD1  LEU  32          3HD1      LEU  32  -3.820  -4.318   0.715
  250   1HD2  LEU  32          1HD2      LEU  32  -5.712  -8.092   1.269
  251   2HD2  LEU  32          2HD2      LEU  32  -4.204  -7.997   0.361
  252   3HD2  LEU  32          3HD2      LEU  32  -4.207  -7.694   2.098
  253    H    VAL  33           H        VAL  33  -7.442  -4.015  -0.617
  254    HA   VAL  33           HA       VAL  33 -10.176  -4.717   0.202
  255    HB   VAL  33           HB       VAL  33  -9.036  -3.409  -2.269
  256   1HG1  VAL  33          1HG1      VAL  33 -10.755  -4.725  -3.188
  257   2HG1  VAL  33          2HG1      VAL  33 -11.762  -4.583  -1.747
  258   3HG1  VAL  33          3HG1      VAL  33 -11.570  -3.203  -2.829
  259   1HG2  VAL  33          1HG2      VAL  33 -10.220  -1.483  -1.521
  260   2HG2  VAL  33          2HG2      VAL  33 -11.171  -2.421  -0.367
  261   3HG2  VAL  33          3HG2      VAL  33  -9.455  -2.138  -0.072
  262    H    ASP  34           H        ASP  34  -7.738  -5.591  -2.258
  263    HA   ASP  34           HA       ASP  34  -8.505  -8.357  -2.154
  264   1HB   ASP  34          2HB       ASP  34 -10.227  -7.032  -3.673
  265   2HB   ASP  34          3HB       ASP  34  -8.935  -7.170  -4.864
  266    H    VAL  35           H        VAL  35  -6.982  -9.687  -3.053
  267    HA   VAL  35           HA       VAL  35  -4.595  -8.348  -4.166
  268    HB   VAL  35           HB       VAL  35  -4.279  -9.603  -2.033
  269   1HG1  VAL  35          1HG1      VAL  35  -4.661 -12.155  -3.579
  270   2HG1  VAL  35          2HG1      VAL  35  -4.681 -11.896  -1.835
  271   3HG1  VAL  35          3HG1      VAL  35  -6.050 -11.379  -2.818
  272   1HG2  VAL  35          1HG2      VAL  35  -2.212 -10.433  -2.679
  273   2HG2  VAL  35          2HG2      VAL  35  -2.850 -11.182  -4.141
  274   3HG2  VAL  35          3HG2      VAL  35  -2.595  -9.439  -4.083
  275    H    GLU  36           H        GLU  36  -4.230  -8.622  -6.269
  276    HA   GLU  36           HA       GLU  36  -5.052 -11.129  -7.563
  277   1HB   GLU  36          2HB       GLU  36  -6.765  -9.167  -7.808
  278   2HB   GLU  36          3HB       GLU  36  -5.587  -8.519  -8.946
  279   1HG   GLU  36          2HG       GLU  36  -7.054  -9.828 -10.273
  280   2HG   GLU  36          3HG       GLU  36  -5.620 -10.830 -10.057
  281    H    ASP  37           H        ASP  37  -2.858 -11.668  -7.649
  282    HA   ASP  37           HA       ASP  37  -0.751 -11.770  -8.524
  283   1HB   ASP  37          2HB       ASP  37  -2.316 -11.839 -10.606
  284   2HB   ASP  37          3HB       ASP  37  -1.711 -10.213 -10.907
  285    H    GLY  38           H        GLY  38  -1.614  -8.674 -10.031
  286   1HA   GLY  38          1HA       GLY  38   0.400  -7.341  -8.323
  287   2HA   GLY  38          2HA       GLY  38   0.392  -7.112 -10.067
  288    H    ILE  39           H        ILE  39  -2.698  -7.304  -9.792
  289    HA   ILE  39           HA       ILE  39  -3.092  -4.440  -9.526
  290    HB   ILE  39           HB       ILE  39  -5.166  -6.566 -10.119
  291   1HG1  ILE  39          2HG1      ILE  39  -4.678  -5.633 -12.545
  292   2HG1  ILE  39          3HG1      ILE  39  -3.100  -5.241 -11.863
  293   1HG2  ILE  39          1HG2      ILE  39  -5.132  -3.701 -11.058
  294   2HG2  ILE  39          2HG2      ILE  39  -6.505  -4.794 -10.903
  295   3HG2  ILE  39          3HG2      ILE  39  -5.757  -4.110  -9.460
  296   1HD1  ILE  39          1HD1      ILE  39  -2.479  -7.436 -11.702
  297   2HD1  ILE  39          2HD1      ILE  39  -4.103  -7.969 -11.264
  298   3HD1  ILE  39          3HD1      ILE  39  -3.702  -7.659 -12.953
  299    H    VAL  40           H        VAL  40  -2.356  -4.971  -7.143
  300    HA   VAL  40           HA       VAL  40  -4.389  -6.007  -5.402
  301    HB   VAL  40           HB       VAL  40  -1.685  -4.803  -5.077
  302   1HG1  VAL  40          1HG1      VAL  40  -2.162  -4.832  -2.529
  303   2HG1  VAL  40          2HG1      VAL  40  -2.722  -3.433  -3.444
  304   3HG1  VAL  40          3HG1      VAL  40  -3.860  -4.697  -2.982
  305   1HG2  VAL  40          1HG2      VAL  40  -2.561  -7.324  -5.128
  306   2HG2  VAL  40          2HG2      VAL  40  -1.226  -6.843  -4.081
  307   3HG2  VAL  40          3HG2      VAL  40  -2.852  -7.005  -3.419
  308    H    LYS  41           H        LYS  41  -6.202  -5.003  -4.933
  309    HA   LYS  41           HA       LYS  41  -6.420  -2.099  -5.178
  310   1HB   LYS  41          2HB       LYS  41  -8.591  -4.040  -4.360
  311   2HB   LYS  41          3HB       LYS  41  -8.784  -2.406  -4.995
  312   1HG   LYS  41          2HG       LYS  41  -7.815  -3.115  -7.148
  313   2HG   LYS  41          3HG       LYS  41  -7.599  -4.748  -6.518
  314   1HD   LYS  41          2HD       LYS  41  -9.909  -5.170  -6.460
  315   2HD   LYS  41          3HD       LYS  41 -10.320  -3.455  -6.482
  316   1HE   LYS  41          2HE       LYS  41  -9.749  -3.237  -8.781
  317   2HE   LYS  41          3HE       LYS  41  -8.910  -4.788  -8.797
  318   1HZ   LYS  41          1HZ       LYS  41 -11.289  -4.622  -9.741
  319   1HZ   LYS  41          1HZ       LYS  41 -11.766  -4.671  -8.111
  320   3HZ   LYS  41          3HZ       LYS  41 -10.872  -5.954  -8.776
  321    H    LEU  42           H        LEU  42  -6.742  -0.733  -3.475
  322    HA   LEU  42           HA       LEU  42  -7.235  -1.715  -0.809
  323   1HB   LEU  42          2HB       LEU  42  -5.146  -0.969   0.187
  324   2HB   LEU  42          3HB       LEU  42  -4.794  -2.145  -1.076
  325    HG   LEU  42           HG       LEU  42  -4.727   0.853  -1.526
  326   1HD1  LEU  42          1HD1      LEU  42  -2.407  -1.037  -1.028
  327   2HD1  LEU  42          2HD1      LEU  42  -2.297   0.694  -1.349
  328   3HD1  LEU  42          3HD1      LEU  42  -3.028   0.120   0.151
  329   1HD2  LEU  42          1HD2      LEU  42  -3.139  -0.146  -3.415
  330   2HD2  LEU  42          2HD2      LEU  42  -4.108  -1.594  -3.147
  331   3HD2  LEU  42          3HD2      LEU  42  -4.884  -0.093  -3.644
  332    H    GLN  43           H        GLN  43  -6.754   0.306   0.761
  333    HA   GLN  43           HA       GLN  43  -7.576   2.793  -0.574
  334   1HB   GLN  43          2HB       GLN  43  -8.994   2.100   1.957
  335   2HB   GLN  43          3HB       GLN  43  -9.550   3.051   0.581
  336   1HG   GLN  43          2HG       GLN  43  -9.621   0.892  -0.750
  337   2HG   GLN  43          3HG       GLN  43  -9.335   0.035   0.763
  338   1HE2  GLN  43          2HE2      GLN  43 -11.047   2.431   2.005
  339   2HE2  GLN  43          1HE2      GLN  43 -12.633   1.886   1.747
  340    H    LEU  44           H        LEU  44  -7.598   4.634   1.082
  341    HA   LEU  44           HA       LEU  44  -5.761   4.248   3.322
  342   1HB   LEU  44          2HB       LEU  44  -4.277   4.654   1.391
  343   2HB   LEU  44          3HB       LEU  44  -5.129   6.162   1.060
  344    HG   LEU  44           HG       LEU  44  -4.194   5.870   3.851
  345   1HD1  LEU  44          1HD1      LEU  44  -1.836   6.534   3.137
  346   2HD1  LEU  44          2HD1      LEU  44  -2.268   4.845   2.865
  347   3HD1  LEU  44          3HD1      LEU  44  -2.268   5.984   1.519
  348   1HD2  LEU  44          1HD2      LEU  44  -3.551   8.214   3.474
  349   2HD2  LEU  44          2HD2      LEU  44  -3.864   8.036   1.747
  350   3HD2  LEU  44          3HD2      LEU  44  -5.194   7.940   2.900
  351    H    HIS  45           H        HIS  45  -6.102   5.667   4.952
  352    HA   HIS  45           HA       HIS  45  -7.426   8.201   4.567
  353   1HB   HIS  45          2HB       HIS  45  -9.445   7.698   5.797
  354   2HB   HIS  45          3HB       HIS  45  -9.312   6.557   4.460
  355    HD1  HIS  45           HD1      HIS  45  -9.559   6.738   8.117
  356    HD2  HIS  45           HD2      HIS  45  -8.309   3.910   5.320
  357    HE1  HIS  45           HE1      HIS  45  -9.430   4.525   9.344
  358    H    GLY  46           H        GLY  46  -6.781   9.568   6.123
  359   1HA   GLY  46          1HA       GLY  46  -5.476   8.437   8.524
  360   2HA   GLY  46          2HA       GLY  46  -5.127  10.017   7.828
  361    H    ALA  47           H        ALA  47  -8.038  10.492   7.387
  362    HA   ALA  47           HA       ALA  47  -9.596  10.403   9.670
  363   1HB   ALA  47          1HB       ALA  47  -8.156  11.638  11.026
  364   2HB   ALA  47          2HB       ALA  47  -7.603  12.649   9.691
  365   3HB   ALA  47          3HB       ALA  47  -9.207  12.898  10.382
  366    H    CYS  48           H        CYS  48  -8.715  13.407   8.031
  367    HA   CYS  48           HA       CYS  48 -10.655  13.263   5.967
  368   1HB   CYS  48          2HB       CYS  48 -12.169  15.073   6.919
  369   2HB   CYS  48          3HB       CYS  48 -12.340  13.477   7.649
  370    HG   CYS  48           HG       CYS  48 -10.588  14.479   9.538
  371    H    GLY  49           H        GLY  49  -9.145  15.543   8.250
  372   1HA   GLY  49          1HA       GLY  49  -8.111  17.582   7.912
  373   2HA   GLY  49          2HA       GLY  49  -7.262  16.690   6.656
  374    H    THR  50           H        THR  50  -7.148  18.070   4.995
  375    HA   THR  50           HA       THR  50  -9.569  18.772   3.581
  376    HB   THR  50           HB       THR  50  -9.726  20.725   4.814
  377    HG1  THR  50           HG1      THR  50  -8.654  20.941   2.436
  378   1HG2  THR  50          1HG2      THR  50  -7.497  22.017   5.359
  379   2HG2  THR  50          2HG2      THR  50  -7.990  20.649   6.357
  380   3HG2  THR  50          3HG2      THR  50  -6.756  20.436   5.114
  381    H    CYS  51           H        CYS  51  -6.058  19.202   3.897
  382    HA   CYS  51           HA       CYS  51  -5.702  18.414   1.120
  383   1HB   CYS  51          2HB       CYS  51  -5.247  21.204   2.093
  384   2HB   CYS  51          3HB       CYS  51  -4.117  20.529   0.919
  385    HG   CYS  51           HG       CYS  51  -6.716  21.622   0.147
  386    HA   PRO  52           HA       PRO  52  -2.381  17.051   4.046
  387   1HB   PRO  52          2HB       PRO  52  -2.618  14.407   2.930
  388   2HB   PRO  52          3HB       PRO  52  -3.007  14.944   4.567
  389   1HG   PRO  52          2HG       PRO  52  -4.824  14.122   2.643
  390   2HG   PRO  52          3HG       PRO  52  -5.205  15.020   4.118
  391   1HD   PRO  52          2HD       PRO  52  -5.051  15.992   1.317
  392   2HD   PRO  52          3HD       PRO  52  -5.970  16.642   2.693
  393    H    SER  53           H        SER  53  -0.387  17.523   3.345
  394    HA   SER  53           HA       SER  53   0.322  17.157   0.544
  395   1HB   SER  53          2HB       SER  53   1.017  19.240   1.483
  396   2HB   SER  53          3HB       SER  53   1.709  18.452   2.897
  397    HG   SER  53           HG       SER  53   2.959  17.310   1.024
  398    H    SER  54           H        SER  54   0.945  15.720   3.665
  399    HA   SER  54           HA       SER  54   3.269  14.236   2.946
  400   1HB   SER  54          2HB       SER  54   2.701  14.627   5.287
  401   2HB   SER  54          3HB       SER  54   1.196  13.731   5.098
  402    HG   SER  54           HG       SER  54   3.093  12.567   5.972
  403    H    THR  55           H        THR  55  -0.207  13.497   2.932
  404    HA   THR  55           HA       THR  55   0.064  10.772   2.179
  405    HB   THR  55           HB       THR  55  -2.314  12.435   1.398
  406    HG1  THR  55           HG1      THR  55  -2.465  11.452   3.901
  407   1HG2  THR  55          1HG2      THR  55  -3.499  10.381   2.097
  408   2HG2  THR  55          2HG2      THR  55  -2.287  10.030   0.865
  409   3HG2  THR  55          3HG2      THR  55  -1.961   9.653   2.557
  410    H    ILE  56           H        ILE  56  -0.537  13.719   0.265
  411    HA   ILE  56           HA       ILE  56  -0.733  12.498  -2.257
  412    HB   ILE  56           HB       ILE  56   0.261  15.256  -1.494
  413   1HG1  ILE  56          2HG1      ILE  56  -2.417  14.429  -2.641
  414   2HG1  ILE  56          3HG1      ILE  56  -2.125  14.522  -0.905
  415   1HG2  ILE  56          1HG2      ILE  56  -0.503  15.710  -3.939
  416   2HG2  ILE  56          2HG2      ILE  56   1.068  14.946  -3.691
  417   3HG2  ILE  56          3HG2      ILE  56  -0.324  13.970  -4.160
  418   1HD1  ILE  56          1HD1      ILE  56  -3.016  16.647  -1.474
  419   2HD1  ILE  56          2HD1      ILE  56  -1.279  16.914  -1.344
  420   3HD1  ILE  56          3HD1      ILE  56  -2.031  16.760  -2.931
  421    H    THR  57           H        THR  57   2.097  13.906  -0.611
  422    HA   THR  57           HA       THR  57   3.966  13.336  -2.655
  423    HB   THR  57           HB       THR  57   4.504  13.599   0.309
  424    HG1  THR  57           HG1      THR  57   3.278  15.298  -1.050
  425   1HG2  THR  57          1HG2      THR  57   6.487  12.867  -0.771
  426   2HG2  THR  57          2HG2      THR  57   6.181  13.871  -2.188
  427   3HG2  THR  57          3HG2      THR  57   6.657  14.618  -0.663
  428    H    LEU  58           H        LEU  58   3.087  11.538   0.301
  429    HA   LEU  58           HA       LEU  58   4.970   9.479   0.065
  430   1HB   LEU  58          2HB       LEU  58   3.463   9.915   2.042
  431   2HB   LEU  58          3HB       LEU  58   2.162   9.147   1.133
  432    HG   LEU  58           HG       LEU  58   3.704   7.134   0.853
  433   1HD1  LEU  58          1HD1      LEU  58   5.406   7.113   2.874
  434   2HD1  LEU  58          2HD1      LEU  58   5.863   7.849   1.340
  435   3HD1  LEU  58          3HD1      LEU  58   5.339   8.864   2.683
  436   1HD2  LEU  58          1HD2      LEU  58   3.073   6.209   2.966
  437   2HD2  LEU  58          2HD2      LEU  58   3.085   7.791   3.743
  438   3HD2  LEU  58          3HD2      LEU  58   1.827   7.393   2.572
  439    H    LYS  59           H        LYS  59   1.544   9.440  -0.975
  440    HA   LYS  59           HA       LYS  59   1.454   6.990  -2.226
  441   1HB   LYS  59          2HB       LYS  59  -0.580   8.174  -2.117
  442   2HB   LYS  59          3HB       LYS  59   0.111   9.614  -2.857
  443   1HG   LYS  59          2HG       LYS  59  -1.376   8.347  -4.416
  444   2HG   LYS  59          3HG       LYS  59   0.276   8.484  -5.013
  445   1HD   LYS  59          2HD       LYS  59  -0.638   6.185  -5.292
  446   2HD   LYS  59          3HD       LYS  59   0.775   6.211  -4.242
  447   1HE   LYS  59          2HE       LYS  59  -0.538   5.961  -2.283
  448   2HE   LYS  59          3HE       LYS  59  -2.027   6.380  -3.131
  449   1HZ   LYS  59          1HZ       LYS  59  -2.252   4.162  -3.219
  450   1HZ   LYS  59          1HZ       LYS  59  -0.594   3.859  -3.030
  451   3HZ   LYS  59          3HZ       LYS  59  -1.214   4.285  -4.554
  452    H    ALA  60           H        ALA  60   2.318  10.085  -3.758
  453    HA   ALA  60           HA       ALA  60   3.016   9.055  -6.269
  454   1HB   ALA  60          1HB       ALA  60   2.659  11.441  -5.869
  455   2HB   ALA  60          2HB       ALA  60   4.091  11.497  -4.841
  456   3HB   ALA  60          3HB       ALA  60   4.256  11.168  -6.566
  457    H    GLY  61           H        GLY  61   4.694   8.907  -3.240
  458   1HA   GLY  61          1HA       GLY  61   7.342   8.573  -4.323
  459   2HA   GLY  61          2HA       GLY  61   6.834   8.220  -2.673
  460    H    ILE  62           H        ILE  62   4.823   6.425  -3.106
  461    HA   ILE  62           HA       ILE  62   6.231   3.995  -3.486
  462    HB   ILE  62           HB       ILE  62   3.268   3.955  -3.718
  463   1HG1  ILE  62          2HG1      ILE  62   3.481   5.847  -2.203
  464   2HG1  ILE  62          3HG1      ILE  62   3.050   4.442  -1.254
  465   1HG2  ILE  62          1HG2      ILE  62   4.702   1.933  -3.399
  466   2HG2  ILE  62          2HG2      ILE  62   5.222   2.582  -1.844
  467   3HG2  ILE  62          3HG2      ILE  62   3.531   2.147  -2.098
  468   1HD1  ILE  62          1HD1      ILE  62   4.824   4.979   0.047
  469   2HD1  ILE  62          2HD1      ILE  62   5.808   4.310  -1.254
  470   3HD1  ILE  62          3HD1      ILE  62   5.504   6.045  -1.180
  471    H    GLU  63           H        GLU  63   3.513   5.370  -5.363
  472    HA   GLU  63           HA       GLU  63   3.469   3.680  -7.514
  473   1HB   GLU  63          2HB       GLU  63   2.999   6.639  -7.278
  474   2HB   GLU  63          3HB       GLU  63   2.892   5.848  -8.851
  475   1HG   GLU  63          2HG       GLU  63   1.295   4.188  -7.811
  476   2HG   GLU  63          3HG       GLU  63   1.290   5.193  -6.363
  477    H    ARG  64           H        ARG  64   5.594   6.504  -7.106
  478    HA   ARG  64           HA       ARG  64   6.941   6.411  -9.543
  479   1HB   ARG  64          2HB       ARG  64   7.755   7.315  -6.788
  480   2HB   ARG  64          3HB       ARG  64   8.890   7.388  -8.136
  481   1HG   ARG  64          2HG       ARG  64   6.157   8.494  -8.591
  482   2HG   ARG  64          3HG       ARG  64   7.244   9.423  -7.561
  483   1HD   ARG  64          2HD       ARG  64   8.943   9.439  -9.324
  484   2HD   ARG  64          3HD       ARG  64   7.913   8.446 -10.352
  485    HE   ARG  64           HE       ARG  64   6.767  10.978  -9.454
  486   1HH1  ARG  64          1HH2      ARG  64   7.085   8.877 -12.028
  487   2HH1  ARG  64          2HH2      ARG  64   7.258  10.089 -13.252
  488   1HH2  ARG  64          1HH1      ARG  64   7.562  12.702 -10.994
  489   2HH2  ARG  64          2HH1      ARG  64   7.523  12.254 -12.667
  490    H    ALA  65           H        ALA  65   7.727   4.769  -6.485
  491    HA   ALA  65           HA       ALA  65  10.082   3.490  -7.327
  492   1HB   ALA  65          1HB       ALA  65   8.100   2.331  -5.361
  493   2HB   ALA  65          2HB       ALA  65   9.847   2.102  -5.403
  494   3HB   ALA  65          3HB       ALA  65   9.174   3.669  -4.956
  495    H    LEU  66           H        LEU  66   6.761   2.196  -7.162
  496    HA   LEU  66           HA       LEU  66   7.221  -0.309  -8.338
  497   1HB   LEU  66          2HB       LEU  66   4.833   1.510  -8.162
  498   2HB   LEU  66          3HB       LEU  66   4.745   0.019  -9.095
  499    HG   LEU  66           HG       LEU  66   5.247  -1.320  -7.163
  500   1HD1  LEU  66          1HD1      LEU  66   6.952  -0.012  -6.070
  501   2HD1  LEU  66          2HD1      LEU  66   5.833   1.326  -5.808
  502   3HD1  LEU  66          3HD1      LEU  66   5.624  -0.182  -4.923
  503   1HD2  LEU  66          1HD2      LEU  66   3.425  -0.575  -5.580
  504   2HD2  LEU  66          2HD2      LEU  66   3.293   0.907  -6.526
  505   3HD2  LEU  66          3HD2      LEU  66   2.928  -0.648  -7.270
  506    H    HIS  67           H        HIS  67   5.796   2.522  -9.997
  507    HA   HIS  67           HA       HIS  67   5.829   1.616 -12.559
  508   1HB   HIS  67          2HB       HIS  67   6.558   4.382 -11.565
  509   2HB   HIS  67          3HB       HIS  67   6.237   3.998 -13.257
  510    HD1  HIS  67           HD1      HIS  67   4.051   5.338 -13.399
  511    HD2  HIS  67           HD2      HIS  67   3.997   2.441 -10.399
  512    HE1  HIS  67           HE1      HIS  67   1.652   5.172 -12.605
  513    H    GLU  68           H        GLU  68   8.600   3.201 -10.944
  514    HA   GLU  68           HA       GLU  68  10.399   2.826 -13.132
  515   1HB   GLU  68          2HB       GLU  68  10.873   3.455 -10.214
  516   2HB   GLU  68          3HB       GLU  68  12.145   3.433 -11.437
  517   1HG   GLU  68          2HG       GLU  68  11.202   5.253 -12.622
  518   2HG   GLU  68          3HG       GLU  68   9.644   5.083 -11.815
  519    H    GLU  69           H        GLU  69   9.216   0.692 -10.768
  520    HA   GLU  69           HA       GLU  69  10.958  -1.452 -11.656
  521   1HB   GLU  69          2HB       GLU  69  10.944  -0.490  -8.777
  522   2HB   GLU  69          3HB       GLU  69  11.522  -2.081  -9.267
  523   1HG   GLU  69          2HG       GLU  69  13.027  -0.765 -10.936
  524   2HG   GLU  69          3HG       GLU  69  12.679   0.624  -9.909
  525    H    VAL  70           H        VAL  70   9.160  -2.564 -12.356
  526    HA   VAL  70           HA       VAL  70   7.228  -3.408 -10.296
  527    HB   VAL  70           HB       VAL  70   5.578  -3.365 -12.272
  528   1HG1  VAL  70          1HG1      VAL  70   5.885  -0.577 -11.801
  529   2HG1  VAL  70          2HG1      VAL  70   4.694  -1.684 -11.129
  530   3HG1  VAL  70          3HG1      VAL  70   6.238  -1.459 -10.314
  531   1HG2  VAL  70          1HG2      VAL  70   7.588  -2.801 -13.840
  532   2HG2  VAL  70          2HG2      VAL  70   6.031  -2.024 -14.127
  533   3HG2  VAL  70          3HG2      VAL  70   7.314  -1.148 -13.290
  534    HA   PRO  71           HA       PRO  71   8.747  -7.004 -12.839
  535   1HB   PRO  71          2HB       PRO  71   9.953  -8.171 -10.482
  536   2HB   PRO  71          3HB       PRO  71  10.760  -7.581 -11.945
  537   1HG   PRO  71          2HG       PRO  71  10.971  -6.410  -9.475
  538   2HG   PRO  71          3HG       PRO  71  11.257  -5.582 -11.009
  539   1HD   PRO  71          2HD       PRO  71   8.826  -5.517  -9.251
  540   2HD   PRO  71          3HD       PRO  71   9.584  -4.204 -10.181
  541    H    GLY  72           H        GLY  72   6.298  -6.355 -11.307
  542   1HA   GLY  72          1HA       GLY  72   5.097  -8.928 -11.255
  543   2HA   GLY  72          2HA       GLY  72   5.401  -8.366  -9.613
  544    H    VAL  73           H        VAL  73   4.935  -5.697  -9.760
  545    HA   VAL  73           HA       VAL  73   2.077  -5.564  -9.784
  546    HB   VAL  73           HB       VAL  73   2.962  -4.106  -8.213
  547   1HG1  VAL  73          1HG1      VAL  73   5.116  -3.724 -10.245
  548   2HG1  VAL  73          2HG1      VAL  73   4.843  -2.432  -9.078
  549   3HG1  VAL  73          3HG1      VAL  73   5.250  -4.053  -8.520
  550   1HG2  VAL  73          1HG2      VAL  73   2.818  -2.231 -10.592
  551   2HG2  VAL  73          2HG2      VAL  73   1.384  -2.923  -9.836
  552   3HG2  VAL  73          3HG2      VAL  73   2.447  -1.867  -8.908
  553    H    ILE  74           H        ILE  74   0.702  -4.493 -11.122
  554    HA   ILE  74           HA       ILE  74   1.795  -3.713 -13.757
  555    HB   ILE  74           HB       ILE  74  -1.010  -4.614 -13.667
  556   1HG1  ILE  74          2HG1      ILE  74   1.269  -6.568 -13.196
  557   2HG1  ILE  74          3HG1      ILE  74  -0.076  -6.251 -12.100
  558   1HG2  ILE  74          1HG2      ILE  74   0.529  -4.017 -15.666
  559   2HG2  ILE  74          2HG2      ILE  74   1.241  -5.610 -15.405
  560   3HG2  ILE  74          3HG2      ILE  74  -0.473  -5.463 -15.799
  561   1HD1  ILE  74          1HD1      ILE  74  -0.786  -8.186 -13.225
  562   2HD1  ILE  74          2HD1      ILE  74  -1.572  -6.902 -14.143
  563   3HD1  ILE  74          3HD1      ILE  74  -0.104  -7.657 -14.763
  564    H    GLU  75           H        GLU  75  -0.954  -3.362 -11.537
  565    HA   GLU  75           HA       GLU  75  -0.929  -0.505 -11.718
  566   1HB   GLU  75          2HB       GLU  75  -2.166  -1.566 -13.856
  567   2HB   GLU  75          3HB       GLU  75  -3.512  -1.596 -12.719
  568   1HG   GLU  75          2HG       GLU  75  -2.914   0.849 -12.202
  569   2HG   GLU  75          3HG       GLU  75  -1.909   0.788 -13.650
  570    H    VAL  76           H        VAL  76  -1.186  -0.171  -9.584
  571    HA   VAL  76           HA       VAL  76  -2.926  -1.876  -7.998
  572    HB   VAL  76           HB       VAL  76  -2.236  -0.107  -6.190
  573   1HG1  VAL  76          1HG1      VAL  76  -0.170  -1.344  -5.794
  574   2HG1  VAL  76          2HG1      VAL  76  -1.419  -2.455  -6.356
  575   3HG1  VAL  76          3HG1      VAL  76  -0.157  -1.912  -7.463
  576   1HG2  VAL  76          1HG2      VAL  76  -0.310   1.196  -6.665
  577   2HG2  VAL  76          2HG2      VAL  76   0.014   0.324  -8.163
  578   3HG2  VAL  76          3HG2      VAL  76  -1.353   1.436  -8.066
  579    H    GLU  77           H        GLU  77  -4.365  -0.616  -6.340
  580    HA   GLU  77           HA       GLU  77  -5.711   1.677  -7.590
  581   1HB   GLU  77          2HB       GLU  77  -6.860  -1.056  -7.297
  582   2HB   GLU  77          3HB       GLU  77  -7.913   0.304  -6.910
  583   1HG   GLU  77          2HG       GLU  77  -6.345   0.059  -9.493
  584   2HG   GLU  77          3HG       GLU  77  -8.034  -0.409  -9.318
  585    H    GLN  78           H        GLN  78  -4.905   2.855  -5.822
  586    HA   GLN  78           HA       GLN  78  -5.904   2.109  -3.160
  587   1HB   GLN  78          2HB       GLN  78  -3.470   2.830  -3.618
  588   2HB   GLN  78          3HB       GLN  78  -4.122   4.461  -3.767
  589   1HG   GLN  78          2HG       GLN  78  -5.338   3.635  -1.466
  590   2HG   GLN  78          3HG       GLN  78  -3.810   2.763  -1.362
  591   1HE2  GLN  78          2HE2      GLN  78  -5.140   6.073  -1.822
  592   2HE2  GLN  78          1HE2      GLN  78  -3.784   6.865  -1.176
  593    H    VAL  79           H        VAL  79  -8.058   2.649  -3.259
  594    HA   VAL  79           HA       VAL  79  -8.847   5.288  -4.209
  595    HB   VAL  79           HB       VAL  79 -11.150   4.491  -3.565
  596   1HG1  VAL  79          1HG1      VAL  79 -10.388   4.225  -5.843
  597   2HG1  VAL  79          2HG1      VAL  79  -9.452   2.795  -5.413
  598   3HG1  VAL  79          3HG1      VAL  79 -11.215   2.740  -5.372
  599   1HG2  VAL  79          1HG2      VAL  79 -10.284   2.894  -1.796
  600   2HG2  VAL  79          2HG2      VAL  79 -11.457   2.187  -2.907
  601   3HG2  VAL  79          3HG2      VAL  79  -9.740   1.845  -3.106
  602    H    PHE  80           H        PHE  80 -10.398   6.541  -2.839
  603    HA   PHE  80           HA       PHE  80  -9.402   6.685  -0.057
  604   1HB   PHE  80          2HB       PHE  80 -10.766   8.986  -1.412
  605   2HB   PHE  80          3HB       PHE  80  -9.541   9.002  -0.145
  606    HD1  PHE  80           HD1      PHE  80 -10.123   9.464  -3.602
  607    HD2  PHE  80           HD2      PHE  80  -7.191   7.963  -0.843
  608    HE1  PHE  80           HE1      PHE  80  -8.360   9.738  -5.325
  609    HE2  PHE  80           HE2      PHE  80  -5.429   8.238  -2.568
  610    HZ   PHE  80           HZ       PHE  80  -6.014   9.126  -4.808
  611    H    LEU  81           H        LEU  81 -10.850   6.091   1.436
  612    HA   LEU  81           HA       LEU  81 -13.537   5.456   0.799
  613   1HB   LEU  81          2HB       LEU  81 -12.125   4.515   2.710
  614   2HB   LEU  81          3HB       LEU  81 -12.512   5.996   3.585
  615    HG   LEU  81           HG       LEU  81 -14.995   5.335   2.767
  616   1HD1  LEU  81          1HD1      LEU  81 -15.333   2.938   2.844
  617   2HD1  LEU  81          2HD1      LEU  81 -14.099   3.276   1.630
  618   3HD1  LEU  81          3HD1      LEU  81 -13.631   2.664   3.217
  619   1HD2  LEU  81          1HD2      LEU  81 -13.437   4.388   5.179
  620   2HD2  LEU  81          2HD2      LEU  81 -14.560   5.744   5.067
  621   3HD2  LEU  81          3HD2      LEU  81 -15.167   4.089   5.014
  622    H    GLU  82           H        GLU  82 -14.290   7.375  -0.213
  623    HA   GLU  82           HA       GLU  82 -14.426   9.912   0.980
  624   1HB   GLU  82          2HB       GLU  82 -16.221  10.359  -0.649
  625   2HB   GLU  82          3HB       GLU  82 -14.849   9.546  -1.402
  626   1HG   GLU  82          2HG       GLU  82 -16.036   7.368  -1.153
  627   2HG   GLU  82          3HG       GLU  82 -17.420   8.225  -0.479
  628    H    HIS  83           H        HIS  83 -16.773  10.906   1.292
  629    HA   HIS  83           HA       HIS  83 -18.788   9.366   2.528
  630   1HB   HIS  83          2HB       HIS  83 -18.356  10.286   4.903
  631   2HB   HIS  83          3HB       HIS  83 -17.399   8.906   4.372
  632    HD1  HIS  83           HD1      HIS  83 -15.622   9.795   6.197
  633    HD2  HIS  83           HD2      HIS  83 -16.148  12.235   2.857
  634    HE1  HIS  83           HE1      HIS  83 -13.654  11.389   6.156
  635    H    HIS  84           H        HIS  84 -17.583  12.127   1.237
  636    HA   HIS  84           HA       HIS  84 -19.155  14.122   2.565
  637   1HB   HIS  84          2HB       HIS  84 -18.502  15.569   0.695
  638   2HB   HIS  84          3HB       HIS  84 -17.109  14.684   1.313
  639    HD1  HIS  84           HD1      HIS  84 -15.920  13.108  -0.276
  640    HD2  HIS  84           HD2      HIS  84 -19.535  14.490  -1.823
  641    HE1  HIS  84           HE1      HIS  84 -15.999  12.356  -2.693
  642    H    HIS  85           H        HIS  85 -20.493  15.533   0.718
  643    HA   HIS  85           HA       HIS  85 -22.586  13.657  -0.207
  644   1HB   HIS  85          2HB       HIS  85 -22.717  16.410   0.983
  645   2HB   HIS  85          3HB       HIS  85 -24.017  15.835  -0.060
  646    HD1  HIS  85           HD1      HIS  85 -22.544  13.024   1.685
  647    HD2  HIS  85           HD2      HIS  85 -25.422  15.894   2.612
  648    HE1  HIS  85           HE1      HIS  85 -23.852  12.117   3.654
  649    H    HIS  86           H        HIS  86 -22.365  17.071  -0.996
  650    HA   HIS  86           HA       HIS  86 -22.063  16.329  -3.844
  651   1HB   HIS  86          2HB       HIS  86 -23.299  18.845  -2.700
  652   2HB   HIS  86          3HB       HIS  86 -23.306  18.332  -4.387
  653    HD1  HIS  86           HD1      HIS  86 -24.596  15.968  -4.842
  654    HD2  HIS  86           HD2      HIS  86 -25.432  17.861  -1.222
  655    HE1  HIS  86           HE1      HIS  86 -26.744  14.943  -3.977
  656    H    HIS  87           H        HIS  87 -19.697  16.306  -2.950
  657    HA   HIS  87           HA       HIS  87 -18.422  18.862  -2.598
  658   1HB   HIS  87          2HB       HIS  87 -17.618  16.628  -1.671
  659   2HB   HIS  87          3HB       HIS  87 -17.080  16.247  -3.306
  660    HD1  HIS  87           HD1      HIS  87 -16.404  18.595  -0.435
  661    HD2  HIS  87           HD2      HIS  87 -14.773  17.655  -4.155
  662    HE1  HIS  87           HE1      HIS  87 -14.160  19.765  -0.552
  663    H    HIS  88           H        HIS  88 -16.543  19.476  -4.045
  664    HA   HIS  88           HA       HIS  88 -17.506  19.652  -6.779
  665   1HB   HIS  88          2HB       HIS  88 -15.033  20.805  -5.460
  666   2HB   HIS  88          3HB       HIS  88 -15.609  21.201  -7.082
  667    HD1  HIS  88           HD1      HIS  88 -15.621  22.714  -3.971
  668    HD2  HIS  88           HD2      HIS  88 -18.713  21.838  -6.626
  669    HE1  HIS  88           HE1      HIS  88 -17.542  24.251  -3.367
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1  16.195 -19.858   1.681
    2   2H    MET   1          2HT       MET   1  14.903 -18.945   1.067
    3   3H    MET   1          3HT       MET   1  15.570 -20.207   0.145
    4    HA   MET   1           HA       MET   1  14.734 -21.857   1.597
    5   1HB   MET   1          2HB       MET   1  13.954 -19.495   3.338
    6   2HB   MET   1          3HB       MET   1  13.433 -21.154   3.630
    7   1HG   MET   1          2HG       MET   1  16.336 -20.296   3.461
    8   2HG   MET   1          3HG       MET   1  15.449 -20.502   4.970
    9   1HE   MET   1          1HE       MET   1  17.858 -23.544   4.851
   10   2HE   MET   1          2HE       MET   1  17.194 -22.269   5.870
   11   3HE   MET   1          3HE       MET   1  18.083 -21.845   4.411
   12    HA   PRO   2           HA       PRO   2  11.433 -19.788  -1.218
   13   1HB   PRO   2          2HB       PRO   2  11.439 -22.302  -2.621
   14   2HB   PRO   2          3HB       PRO   2  11.951 -20.715  -3.217
   15   1HG   PRO   2          2HG       PRO   2  13.566 -22.947  -2.242
   16   2HG   PRO   2          3HG       PRO   2  14.033 -21.567  -3.247
   17   1HD   PRO   2          2HD       PRO   2  14.821 -21.852  -0.643
   18   2HD   PRO   2          3HD       PRO   2  14.615 -20.268  -1.428
   19    H    THR   3           H        THR   3   9.245 -20.281  -1.142
   20    HA   THR   3           HA       THR   3   8.219 -22.782  -0.183
   21    HB   THR   3           HB       THR   3   7.576 -20.537   1.679
   22    HG1  THR   3           HG1      THR   3   9.580 -22.057   2.631
   23   1HG2  THR   3          1HG2      THR   3   8.087 -23.419   2.362
   24   2HG2  THR   3          2HG2      THR   3   6.999 -22.269   3.139
   25   3HG2  THR   3          3HG2      THR   3   6.579 -22.953   1.571
   26    H    GLU   4           H        GLU   4   6.226 -23.035  -0.954
   27    HA   GLU   4           HA       GLU   4   4.867 -20.753  -2.194
   28   1HB   GLU   4          2HB       GLU   4   3.384 -22.554  -3.133
   29   2HB   GLU   4          3HB       GLU   4   5.087 -22.729  -3.567
   30   1HG   GLU   4          2HG       GLU   4   5.420 -24.402  -1.847
   31   2HG   GLU   4          3HG       GLU   4   3.791 -24.147  -1.222
   32    H    ASN   5           H        ASN   5   4.995 -21.187   0.762
   33    HA   ASN   5           HA       ASN   5   2.150 -21.651   1.366
   34   1HB   ASN   5          2HB       ASN   5   4.549 -22.357   2.711
   35   2HB   ASN   5          3HB       ASN   5   3.718 -21.177   3.722
   36   1HD2  ASN   5          2HD2      ASN   5   2.432 -23.742   1.540
   37   2HD2  ASN   5          1HD2      ASN   5   1.500 -24.501   2.740
   38    HA   PRO   6           HA       PRO   6   2.911 -17.268   3.058
   39   1HB   PRO   6          2HB       PRO   6   5.508 -16.274   2.276
   40   2HB   PRO   6          3HB       PRO   6   4.928 -16.642   3.907
   41   1HG   PRO   6          2HG       PRO   6   6.904 -18.026   2.597
   42   2HG   PRO   6          3HG       PRO   6   5.940 -18.664   3.937
   43   1HD   PRO   6          2HD       PRO   6   5.624 -19.150   0.993
   44   2HD   PRO   6          3HD       PRO   6   5.402 -20.278   2.352
   45    H    THR   7           H        THR   7   1.479 -17.317   1.062
   46    HA   THR   7           HA       THR   7   2.520 -16.321  -1.417
   47    HB   THR   7           HB       THR   7   0.258 -16.342  -2.208
   48    HG1  THR   7           HG1      THR   7  -1.400 -16.836  -0.553
   49   1HG2  THR   7          1HG2      THR   7   0.648 -18.598  -0.221
   50   2HG2  THR   7          2HG2      THR   7  -0.440 -18.620  -1.609
   51   3HG2  THR   7          3HG2      THR   7   1.305 -18.547  -1.857
   52    H    MET   8           H        MET   8   0.958 -14.396  -2.352
   53    HA   MET   8           HA       MET   8   2.030 -12.022  -1.454
   54   1HB   MET   8          2HB       MET   8  -0.687 -12.394  -2.743
   55   2HB   MET   8          3HB       MET   8   0.238 -10.893  -2.694
   56   1HG   MET   8          2HG       MET   8   1.276 -13.455  -3.943
   57   2HG   MET   8          3HG       MET   8   0.462 -12.186  -4.856
   58   1HE   MET   8          1HE       MET   8   2.780 -13.154  -5.799
   59   2HE   MET   8          2HE       MET   8   4.089 -13.293  -4.626
   60   3HE   MET   8          3HE       MET   8   4.147 -12.033  -5.855
   61    H    PHE   9           H        PHE   9  -1.308 -13.103  -0.796
   62    HA   PHE   9           HA       PHE   9  -2.160 -11.154   0.914
   63   1HB   PHE   9          2HB       PHE   9  -3.264 -13.427   0.103
   64   2HB   PHE   9          3HB       PHE   9  -2.746 -13.978   1.697
   65    HD1  PHE   9           HD1      PHE   9  -3.962 -13.383   3.635
   66    HD2  PHE   9           HD2      PHE   9  -4.643 -11.268  -0.042
   67    HE1  PHE   9           HE1      PHE   9  -5.887 -12.207   4.666
   68    HE2  PHE   9           HE2      PHE   9  -6.568 -10.094   0.989
   69    HZ   PHE   9           HZ       PHE   9  -7.189 -10.561   3.343
   70    H    ASP  10           H        ASP  10   0.008 -13.813   1.673
   71    HA   ASP  10           HA       ASP  10   0.050 -13.491   4.488
   72   1HB   ASP  10          2HB       ASP  10   2.323 -14.523   2.782
   73   2HB   ASP  10          3HB       ASP  10   1.980 -14.910   4.465
   74    H    GLN  11           H        GLN  11   2.504 -12.560   2.092
   75    HA   GLN  11           HA       GLN  11   4.129 -11.040   3.781
   76   1HB   GLN  11          2HB       GLN  11   4.213 -11.814   1.162
   77   2HB   GLN  11          3HB       GLN  11   3.931 -10.081   1.004
   78   1HG   GLN  11          2HG       GLN  11   5.853  -9.610   2.455
   79   2HG   GLN  11          3HG       GLN  11   6.135 -11.338   2.664
   80   1HE2  GLN  11          2HE2      GLN  11   5.236  -9.644  -0.370
   81   2HE2  GLN  11          1HE2      GLN  11   6.650 -10.067  -1.203
   82    H    VAL  12           H        VAL  12   1.683  -9.800   1.475
   83    HA   VAL  12           HA       VAL  12   1.933  -7.126   2.097
   84    HB   VAL  12           HB       VAL  12  -0.327  -6.847   1.242
   85   1HG1  VAL  12          1HG1      VAL  12   1.089  -9.112  -0.161
   86   2HG1  VAL  12          2HG1      VAL  12  -0.029  -7.959  -0.889
   87   3HG1  VAL  12          3HG1      VAL  12   1.540  -7.412  -0.297
   88   1HG2  VAL  12          1HG2      VAL  12  -0.500  -9.789   1.852
   89   2HG2  VAL  12          2HG2      VAL  12  -1.663  -8.515   2.223
   90   3HG2  VAL  12          3HG2      VAL  12  -1.489  -9.096   0.569
   91    H    ALA  13           H        ALA  13  -0.595  -9.267   3.445
   92    HA   ALA  13           HA       ALA  13  -1.530  -7.556   5.348
   93   1HB   ALA  13          1HB       ALA  13  -2.001  -9.679   6.721
   94   2HB   ALA  13          2HB       ALA  13  -2.684  -9.611   5.097
   95   3HB   ALA  13          3HB       ALA  13  -1.230 -10.558   5.403
   96    H    GLU  14           H        GLU  14   1.335  -9.599   5.425
   97    HA   GLU  14           HA       GLU  14   2.060  -9.151   8.126
   98   1HB   GLU  14          2HB       GLU  14   2.985 -10.937   6.555
   99   2HB   GLU  14          3HB       GLU  14   4.007  -9.675   5.875
  100   1HG   GLU  14          2HG       GLU  14   3.916 -10.297   8.838
  101   2HG   GLU  14          3HG       GLU  14   5.068 -11.048   7.734
  102    H    VAL  15           H        VAL  15   3.586  -7.746   5.188
  103    HA   VAL  15           HA       VAL  15   5.021  -5.795   6.632
  104    HB   VAL  15           HB       VAL  15   5.587  -4.810   4.534
  105   1HG1  VAL  15          1HG1      VAL  15   6.446  -7.118   5.027
  106   2HG1  VAL  15          2HG1      VAL  15   5.139  -7.763   4.037
  107   3HG1  VAL  15          3HG1      VAL  15   6.375  -6.743   3.306
  108   1HG2  VAL  15          1HG2      VAL  15   3.717  -4.431   3.246
  109   2HG2  VAL  15          2HG2      VAL  15   4.268  -5.914   2.472
  110   3HG2  VAL  15          3HG2      VAL  15   2.980  -5.974   3.671
  111    H    ILE  16           H        ILE  16   1.886  -5.543   4.936
  112    HA   ILE  16           HA       ILE  16   1.463  -2.809   5.287
  113    HB   ILE  16           HB       ILE  16  -0.599  -5.032   5.403
  114   1HG1  ILE  16          2HG1      ILE  16   0.553  -5.145   3.288
  115   2HG1  ILE  16          3HG1      ILE  16  -0.961  -4.303   2.987
  116   1HG2  ILE  16          1HG2      ILE  16  -0.760  -2.042   5.322
  117   2HG2  ILE  16          2HG2      ILE  16  -1.972  -2.973   4.440
  118   3HG2  ILE  16          3HG2      ILE  16  -1.781  -3.195   6.179
  119   1HD1  ILE  16          1HD1      ILE  16   1.828  -3.197   3.127
  120   2HD1  ILE  16          2HD1      ILE  16   0.598  -2.952   1.887
  121   3HD1  ILE  16          3HD1      ILE  16   0.447  -2.150   3.450
  122    H    GLU  17           H        GLU  17   0.173  -5.407   7.361
  123    HA   GLU  17           HA       GLU  17  -0.738  -3.820   9.453
  124   1HB   GLU  17          2HB       GLU  17  -1.330  -6.151   9.340
  125   2HB   GLU  17          3HB       GLU  17   0.361  -6.641   9.478
  126   1HG   GLU  17          2HG       GLU  17   0.465  -6.153  11.739
  127   2HG   GLU  17          3HG       GLU  17  -0.779  -4.910  11.639
  128    H    ARG  18           H        ARG  18   2.502  -4.915   8.700
  129    HA   ARG  18           HA       ARG  18   3.706  -4.341  11.207
  130   1HB   ARG  18          2HB       ARG  18   4.675  -5.763   9.339
  131   2HB   ARG  18          3HB       ARG  18   5.081  -4.257   8.520
  132   1HG   ARG  18          2HG       ARG  18   6.413  -3.549  10.472
  133   2HG   ARG  18          3HG       ARG  18   6.004  -5.056  11.295
  134   1HD   ARG  18          2HD       ARG  18   7.128  -6.355   9.577
  135   2HD   ARG  18          3HD       ARG  18   7.431  -4.904   8.627
  136    HE   ARG  18           HE       ARG  18   8.647  -4.316  10.970
  137   1HH1  ARG  18          1HH2      ARG  18   8.828  -7.342  11.359
  138   2HH1  ARG  18          2HH2      ARG  18  10.385  -7.680  10.690
  139   1HH2  ARG  18          1HH1      ARG  18  10.624  -4.638   9.038
  140   2HH2  ARG  18          2HH1      ARG  18  11.405  -6.146   9.369
  141    H    LEU  19           H        LEU  19   3.567  -2.492   8.162
  142    HA   LEU  19           HA       LEU  19   4.808  -0.161   9.328
  143   1HB   LEU  19          2HB       LEU  19   3.675  -0.867   6.650
  144   2HB   LEU  19          3HB       LEU  19   3.938   0.829   7.054
  145    HG   LEU  19           HG       LEU  19   6.291   0.342   7.605
  146   1HD1  LEU  19          1HD1      LEU  19   5.506  -2.469   6.795
  147   2HD1  LEU  19          2HD1      LEU  19   7.178  -1.928   6.922
  148   3HD1  LEU  19          3HD1      LEU  19   6.149  -1.945   8.350
  149   1HD2  LEU  19          1HD2      LEU  19   5.861   1.032   5.336
  150   2HD2  LEU  19          2HD2      LEU  19   7.013  -0.302   5.259
  151   3HD2  LEU  19          3HD2      LEU  19   5.312  -0.585   4.890
  152    H    ARG  20           H        ARG  20   1.594  -1.350   9.006
  153    HA   ARG  20           HA       ARG  20  -0.073   0.735   8.776
  154   1HB   ARG  20          2HB       ARG  20  -1.118  -1.296   9.189
  155   2HB   ARG  20          3HB       ARG  20  -0.164  -1.617  10.634
  156   1HG   ARG  20          2HG       ARG  20  -1.407  -0.083  11.940
  157   2HG   ARG  20          3HG       ARG  20  -2.091   0.707  10.520
  158   1HD   ARG  20          2HD       ARG  20  -2.713  -2.105  11.476
  159   2HD   ARG  20          3HD       ARG  20  -3.782  -0.712  11.578
  160    HE   ARG  20           HE       ARG  20  -2.886  -1.400   8.892
  161   1HH1  ARG  20          1HH1      ARG  20  -4.672  -3.471  10.567
  162   2HH1  ARG  20          2HH1      ARG  20  -6.203  -3.158   9.821
  163   1HH2  ARG  20          1HH2      ARG  20  -5.158  -0.243   8.263
  164   2HH2  ARG  20          2HH2      ARG  20  -6.477  -1.339   8.517
  165    HA   PRO  21           HA       PRO  21   0.579   2.368  13.209
  166   1HB   PRO  21          2HB       PRO  21   3.084   1.428  14.297
  167   2HB   PRO  21          3HB       PRO  21   1.443   1.116  14.886
  168   1HG   PRO  21          2HG       PRO  21   3.097  -0.780  13.789
  169   2HG   PRO  21          3HG       PRO  21   1.333  -0.896  13.862
  170   1HD   PRO  21          2HD       PRO  21   3.077  -0.110  11.554
  171   2HD   PRO  21          3HD       PRO  21   1.579  -1.072  11.557
  172    H    PHE  22           H        PHE  22   3.429   1.910  11.202
  173    HA   PHE  22           HA       PHE  22   4.732   4.347  12.035
  174   1HB   PHE  22          2HB       PHE  22   5.203   2.320   9.869
  175   2HB   PHE  22          3HB       PHE  22   6.060   3.863   9.839
  176    HD1  PHE  22           HD1      PHE  22   5.509   0.748  11.755
  177    HD2  PHE  22           HD2      PHE  22   7.731   4.413  11.494
  178    HE1  PHE  22           HE1      PHE  22   7.087  -0.086  13.474
  179    HE2  PHE  22           HE2      PHE  22   9.312   3.579  13.214
  180    HZ   PHE  22           HZ       PHE  22   8.987   1.328  14.205
  181    H    LEU  23           H        LEU  23   2.890   3.316   9.165
  182    HA   LEU  23           HA       LEU  23   3.052   5.689   7.703
  183   1HB   LEU  23          2HB       LEU  23   0.754   3.719   7.875
  184   2HB   LEU  23          3HB       LEU  23   0.937   4.951   6.629
  185    HG   LEU  23           HG       LEU  23   3.210   3.053   7.115
  186   1HD1  LEU  23          1HD1      LEU  23   0.821   2.403   5.365
  187   2HD1  LEU  23          2HD1      LEU  23   2.242   1.396   5.635
  188   3HD1  LEU  23          3HD1      LEU  23   1.102   1.682   6.951
  189   1HD2  LEU  23          1HD2      LEU  23   3.646   3.474   4.776
  190   2HD2  LEU  23          2HD2      LEU  23   2.069   4.232   4.562
  191   3HD2  LEU  23          3HD2      LEU  23   3.309   5.032   5.529
  192    H    LEU  24           H        LEU  24   0.908   4.737  10.347
  193    HA   LEU  24           HA       LEU  24  -0.920   6.855  10.243
  194   1HB   LEU  24          2HB       LEU  24  -0.793   4.705  11.776
  195   2HB   LEU  24          3HB       LEU  24   0.008   5.810  12.892
  196    HG   LEU  24           HG       LEU  24  -2.742   6.173  11.663
  197   1HD1  LEU  24          1HD1      LEU  24  -1.832   5.732  14.523
  198   2HD1  LEU  24          2HD1      LEU  24  -3.496   6.017  14.011
  199   3HD1  LEU  24          3HD1      LEU  24  -2.657   4.548  13.512
  200   1HD2  LEU  24          1HD2      LEU  24  -0.975   8.001  13.283
  201   2HD2  LEU  24          2HD2      LEU  24  -1.921   8.373  11.843
  202   3HD2  LEU  24          3HD2      LEU  24  -2.732   8.130  13.389
  203    H    ARG  25           H        ARG  25   2.013   6.579  12.249
  204    HA   ARG  25           HA       ARG  25   1.969   9.102  13.394
  205   1HB   ARG  25          2HB       ARG  25   4.359   7.423  12.603
  206   2HB   ARG  25          3HB       ARG  25   4.428   8.822  13.667
  207   1HG   ARG  25          2HG       ARG  25   3.157   7.755  15.353
  208   2HG   ARG  25          3HG       ARG  25   2.561   6.521  14.243
  209   1HD   ARG  25          2HD       ARG  25   4.735   5.491  14.100
  210   2HD   ARG  25          3HD       ARG  25   5.484   6.820  14.980
  211    HE   ARG  25           HE       ARG  25   4.025   4.599  16.120
  212   1HH1  ARG  25          1HH2      ARG  25   6.455   6.448  17.050
  213   2HH1  ARG  25          2HH2      ARG  25   5.797   7.026  18.544
  214   1HH2  ARG  25          1HH1      ARG  25   2.572   5.958  17.845
  215   2HH2  ARG  25          2HH1      ARG  25   3.603   6.749  18.994
  216    H    ASP  26           H        ASP  26   3.168   8.164  10.181
  217    HA   ASP  26           HA       ASP  26   4.075  10.931   9.734
  218   1HB   ASP  26          2HB       ASP  26   4.521   8.359   8.225
  219   2HB   ASP  26          3HB       ASP  26   5.061   9.932   7.639
  220    H    GLY  27           H        GLY  27   2.319   8.478   7.783
  221   1HA   GLY  27          1HA       GLY  27   0.951  10.679   6.373
  222   2HA   GLY  27          2HA       GLY  27   1.109   9.026   5.793
  223    H    GLY  28           H        GLY  28  -0.078   7.346   7.004
  224   1HA   GLY  28          1HA       GLY  28  -2.193   7.981   8.803
  225   2HA   GLY  28          2HA       GLY  28  -2.806   7.837   7.158
  226    H    ASP  29           H        ASP  29  -3.893   5.910   7.247
  227    HA   ASP  29           HA       ASP  29  -2.255   3.530   7.877
  228   1HB   ASP  29          2HB       ASP  29  -5.019   4.236   8.835
  229   2HB   ASP  29          3HB       ASP  29  -4.528   2.551   8.684
  230    H    CYS  30           H        CYS  30  -2.138   2.172   6.212
  231    HA   CYS  30           HA       CYS  30  -4.047   2.469   4.004
  232   1HB   CYS  30          2HB       CYS  30  -2.435   1.047   2.757
  233   2HB   CYS  30          3HB       CYS  30  -1.696   2.513   3.399
  234    HG   CYS  30           HG       CYS  30  -1.342  -0.296   4.738
  235    H    THR  31           H        THR  31  -4.937   0.544   2.970
  236    HA   THR  31           HA       THR  31  -5.058  -1.884   4.586
  237    HB   THR  31           HB       THR  31  -7.655  -0.562   3.822
  238    HG1  THR  31           HG1      THR  31  -5.930   0.038   5.881
  239   1HG2  THR  31          1HG2      THR  31  -8.522  -2.058   5.582
  240   2HG2  THR  31          2HG2      THR  31  -7.672  -2.969   4.336
  241   3HG2  THR  31          3HG2      THR  31  -6.887  -2.649   5.883
  242    H    LEU  32           H        LEU  32  -4.962  -3.577   3.280
  243    HA   LEU  32           HA       LEU  32  -5.257  -3.315   0.424
  244   1HB   LEU  32          2HB       LEU  32  -3.537  -4.802   1.262
  245   2HB   LEU  32          3HB       LEU  32  -4.718  -5.706   2.206
  246    HG   LEU  32           HG       LEU  32  -5.815  -6.508   0.193
  247   1HD1  LEU  32          1HD1      LEU  32  -4.533  -5.902  -2.032
  248   2HD1  LEU  32          2HD1      LEU  32  -5.746  -4.802  -1.385
  249   3HD1  LEU  32          3HD1      LEU  32  -4.035  -4.476  -1.120
  250   1HD2  LEU  32          1HD2      LEU  32  -4.013  -7.930   0.771
  251   2HD2  LEU  32          2HD2      LEU  32  -3.776  -7.623  -0.949
  252   3HD2  LEU  32          3HD2      LEU  32  -2.802  -6.763   0.244
  253    H    VAL  33           H        VAL  33  -7.104  -3.530  -0.657
  254    HA   VAL  33           HA       VAL  33  -9.446  -4.646   0.704
  255    HB   VAL  33           HB       VAL  33  -9.109  -3.043  -1.833
  256   1HG1  VAL  33          1HG1      VAL  33 -10.931  -4.518  -2.300
  257   2HG1  VAL  33          2HG1      VAL  33 -11.555  -4.381  -0.654
  258   3HG1  VAL  33          3HG1      VAL  33 -11.667  -3.012  -1.759
  259   1HG2  VAL  33          1HG2      VAL  33 -10.560  -1.458  -0.479
  260   2HG2  VAL  33          2HG2      VAL  33 -10.292  -2.517   0.905
  261   3HG2  VAL  33          3HG2      VAL  33  -8.928  -1.694   0.146
  262    H    ASP  34           H        ASP  34  -7.363  -5.261  -2.093
  263    HA   ASP  34           HA       ASP  34  -8.149  -8.010  -2.168
  264   1HB   ASP  34          2HB       ASP  34 -10.063  -6.692  -3.334
  265   2HB   ASP  34          3HB       ASP  34  -8.916  -6.499  -4.654
  266    H    VAL  35           H        VAL  35  -6.674  -9.246  -3.208
  267    HA   VAL  35           HA       VAL  35  -4.429  -7.836  -4.502
  268    HB   VAL  35           HB       VAL  35  -3.883  -9.219  -2.515
  269   1HG1  VAL  35          1HG1      VAL  35  -4.400 -11.715  -4.070
  270   2HG1  VAL  35          2HG1      VAL  35  -4.396 -11.461  -2.327
  271   3HG1  VAL  35          3HG1      VAL  35  -5.778 -10.937  -3.292
  272   1HG2  VAL  35          1HG2      VAL  35  -2.236  -8.895  -4.346
  273   2HG2  VAL  35          2HG2      VAL  35  -2.036 -10.457  -3.557
  274   3HG2  VAL  35          3HG2      VAL  35  -2.835 -10.359  -5.128
  275    H    GLU  36           H        GLU  36  -4.142  -8.048  -6.628
  276    HA   GLU  36           HA       GLU  36  -5.029 -10.453  -8.021
  277   1HB   GLU  36          2HB       GLU  36  -7.014  -8.976  -8.052
  278   2HB   GLU  36          3HB       GLU  36  -6.046  -7.715  -8.815
  279   1HG   GLU  36          2HG       GLU  36  -5.889  -8.855 -10.829
  280   2HG   GLU  36          3HG       GLU  36  -6.065 -10.434 -10.071
  281    H    ASP  37           H        ASP  37  -2.687 -10.591  -8.113
  282    HA   ASP  37           HA       ASP  37  -0.678 -10.418  -9.196
  283   1HB   ASP  37          2HB       ASP  37  -1.919 -11.157 -11.115
  284   2HB   ASP  37          3HB       ASP  37  -2.567  -9.545 -11.393
  285    H    GLY  38           H        GLY  38  -1.993  -7.757 -11.046
  286   1HA   GLY  38          1HA       GLY  38  -0.106  -5.911  -9.698
  287   2HA   GLY  38          2HA       GLY  38  -0.530  -5.826 -11.404
  288    H    ILE  39           H        ILE  39  -3.391  -6.504 -10.600
  289    HA   ILE  39           HA       ILE  39  -4.263  -3.758 -10.257
  290    HB   ILE  39           HB       ILE  39  -5.942  -6.266 -10.543
  291   1HG1  ILE  39          2HG1      ILE  39  -6.162  -5.365 -12.940
  292   2HG1  ILE  39          3HG1      ILE  39  -4.756  -4.363 -12.579
  293   1HG2  ILE  39          1HG2      ILE  39  -7.327  -4.524  -9.712
  294   2HG2  ILE  39          2HG2      ILE  39  -6.500  -3.298 -10.671
  295   3HG2  ILE  39          3HG2      ILE  39  -7.563  -4.464 -11.457
  296   1HD1  ILE  39          1HD1      ILE  39  -4.516  -7.252 -11.905
  297   2HD1  ILE  39          2HD1      ILE  39  -4.556  -6.852 -13.621
  298   3HD1  ILE  39          3HD1      ILE  39  -3.318  -6.150 -12.583
  299    H    VAL  40           H        VAL  40  -3.097  -3.975  -8.070
  300    HA   VAL  40           HA       VAL  40  -4.664  -5.271  -5.991
  301    HB   VAL  40           HB       VAL  40  -2.008  -3.949  -6.176
  302   1HG1  VAL  40          1HG1      VAL  40  -3.702  -3.984  -3.663
  303   2HG1  VAL  40          2HG1      VAL  40  -1.941  -3.887  -3.626
  304   3HG1  VAL  40          3HG1      VAL  40  -2.879  -2.604  -4.389
  305   1HG2  VAL  40          1HG2      VAL  40  -2.706  -6.490  -6.101
  306   2HG2  VAL  40          2HG2      VAL  40  -1.290  -5.948  -5.204
  307   3HG2  VAL  40          3HG2      VAL  40  -2.819  -6.210  -4.363
  308    H    LYS  41           H        LYS  41  -6.364  -4.356  -5.084
  309    HA   LYS  41           HA       LYS  41  -6.825  -1.486  -5.326
  310   1HB   LYS  41          2HB       LYS  41  -8.480  -3.699  -4.086
  311   2HB   LYS  41          3HB       LYS  41  -8.984  -2.012  -4.192
  312   1HG   LYS  41          2HG       LYS  41  -8.438  -2.294  -6.747
  313   2HG   LYS  41          3HG       LYS  41  -8.609  -4.016  -6.403
  314   1HD   LYS  41          2HD       LYS  41 -10.861  -3.676  -5.549
  315   2HD   LYS  41          3HD       LYS  41 -10.693  -1.927  -5.701
  316   1HE   LYS  41          2HE       LYS  41 -11.963  -2.793  -7.600
  317   2HE   LYS  41          3HE       LYS  41 -10.405  -2.194  -8.158
  318   1HZ   LYS  41          1HZ       LYS  41 -11.316  -4.566  -8.821
  319   1HZ   LYS  41          1HZ       LYS  41 -10.554  -4.998  -7.366
  320   3HZ   LYS  41          3HZ       LYS  41  -9.660  -4.266  -8.615
  321    H    LEU  42           H        LEU  42  -6.726  -0.040  -3.654
  322    HA   LEU  42           HA       LEU  42  -6.053  -1.056  -0.965
  323   1HB   LEU  42          2HB       LEU  42  -4.394   0.711  -2.723
  324   2HB   LEU  42          3HB       LEU  42  -4.372   0.978  -0.981
  325    HG   LEU  42           HG       LEU  42  -4.034  -1.814  -2.025
  326   1HD1  LEU  42          1HD1      LEU  42  -1.868   0.308  -1.898
  327   2HD1  LEU  42          2HD1      LEU  42  -1.574  -1.418  -2.111
  328   3HD1  LEU  42          3HD1      LEU  42  -2.444  -0.513  -3.349
  329   1HD2  LEU  42          1HD2      LEU  42  -4.252  -0.995   0.460
  330   2HD2  LEU  42          2HD2      LEU  42  -3.015  -2.185   0.056
  331   3HD2  LEU  42          3HD2      LEU  42  -2.578  -0.487   0.253
  332    H    GLN  43           H        GLN  43  -6.026   0.762   0.641
  333    HA   GLN  43           HA       GLN  43  -7.780   3.014  -0.026
  334   1HB   GLN  43          2HB       GLN  43  -8.433   0.802   1.900
  335   2HB   GLN  43          3HB       GLN  43  -9.019   2.440   2.204
  336   1HG   GLN  43          2HG       GLN  43 -10.169   2.498   0.082
  337   2HG   GLN  43          3HG       GLN  43  -9.438   0.972  -0.411
  338   1HE2  GLN  43          2HE2      GLN  43 -10.316   0.995   2.931
  339   2HE2  GLN  43          1HE2      GLN  43 -11.764   0.129   2.772
  340    H    LEU  44           H        LEU  44  -6.609   4.711   0.605
  341    HA   LEU  44           HA       LEU  44  -4.783   4.482   2.884
  342   1HB   LEU  44          2HB       LEU  44  -4.076   5.575   0.740
  343   2HB   LEU  44          3HB       LEU  44  -5.253   6.849   1.056
  344    HG   LEU  44           HG       LEU  44  -4.039   6.982   3.395
  345   1HD1  LEU  44          1HD1      LEU  44  -1.587   6.497   3.114
  346   2HD1  LEU  44          2HD1      LEU  44  -2.596   5.050   3.118
  347   3HD1  LEU  44          3HD1      LEU  44  -1.969   5.685   1.596
  348   1HD2  LEU  44          1HD2      LEU  44  -2.815   8.005   0.814
  349   2HD2  LEU  44          2HD2      LEU  44  -4.084   8.798   1.744
  350   3HD2  LEU  44          3HD2      LEU  44  -2.462   8.643   2.421
  351    H    HIS  45           H        HIS  45  -5.790   4.661   4.794
  352    HA   HIS  45           HA       HIS  45  -8.083   6.366   5.191
  353   1HB   HIS  45          2HB       HIS  45  -6.389   4.877   7.213
  354   2HB   HIS  45          3HB       HIS  45  -7.952   5.630   7.525
  355    HD1  HIS  45           HD1      HIS  45  -9.852   4.042   7.388
  356    HD2  HIS  45           HD2      HIS  45  -6.731   2.879   4.885
  357    HE1  HIS  45           HE1      HIS  45 -10.571   1.870   6.302
  358    H    GLY  46           H        GLY  46  -7.255   8.432   4.633
  359   1HA   GLY  46          1HA       GLY  46  -5.073   9.553   6.211
  360   2HA   GLY  46          2HA       GLY  46  -5.959  10.363   4.923
  361    H    ALA  47           H        ALA  47  -5.897   9.575   8.320
  362    HA   ALA  47           HA       ALA  47  -8.439  10.581   9.052
  363   1HB   ALA  47          1HB       ALA  47  -7.071   9.134  10.515
  364   2HB   ALA  47          2HB       ALA  47  -5.910  10.448  10.715
  365   3HB   ALA  47          3HB       ALA  47  -7.554  10.619  11.330
  366    H    CYS  48           H        CYS  48  -6.024  12.207   7.596
  367    HA   CYS  48           HA       CYS  48  -6.346  14.710   9.099
  368   1HB   CYS  48          2HB       CYS  48  -4.063  14.146   8.499
  369   2HB   CYS  48          3HB       CYS  48  -4.514  13.925   6.810
  370    HG   CYS  48           HG       CYS  48  -3.684  16.330   6.825
  371    H    GLY  49           H        GLY  49  -8.719  14.244   8.187
  372   1HA   GLY  49          1HA       GLY  49  -9.321  14.856   5.491
  373   2HA   GLY  49          2HA       GLY  49 -10.440  14.983   6.843
  374    H    THR  50           H        THR  50  -8.765  16.690   4.510
  375    HA   THR  50           HA       THR  50  -9.812  19.196   5.112
  376    HB   THR  50           HB       THR  50  -8.502  19.472   7.044
  377    HG1  THR  50           HG1      THR  50  -6.855  20.939   6.400
  378   1HG2  THR  50          1HG2      THR  50  -7.037  17.685   7.175
  379   2HG2  THR  50          2HG2      THR  50  -6.482  17.878   5.515
  380   3HG2  THR  50          3HG2      THR  50  -5.907  18.977   6.768
  381    H    CYS  51           H        CYS  51  -6.431  19.334   4.425
  382    HA   CYS  51           HA       CYS  51  -6.780  19.054   1.534
  383   1HB   CYS  51          2HB       CYS  51  -7.391  21.364   1.823
  384   2HB   CYS  51          3HB       CYS  51  -6.021  21.652   2.891
  385    HG   CYS  51           HG       CYS  51  -4.940  22.370   0.756
  386    HA   PRO  52           HA       PRO  52  -2.616  17.869   3.287
  387   1HB   PRO  52          2HB       PRO  52  -3.052  15.148   2.439
  388   2HB   PRO  52          3HB       PRO  52  -2.902  15.770   4.089
  389   1HG   PRO  52          2HG       PRO  52  -5.203  14.732   2.984
  390   2HG   PRO  52          3HG       PRO  52  -5.133  15.788   4.402
  391   1HD   PRO  52          2HD       PRO  52  -5.860  16.468   1.586
  392   2HD   PRO  52          3HD       PRO  52  -6.468  17.153   3.109
  393    H    SER  53           H        SER  53  -1.159  18.578   1.844
  394    HA   SER  53           HA       SER  53  -1.416  17.979  -0.988
  395   1HB   SER  53          2HB       SER  53   0.545  19.430  -1.240
  396   2HB   SER  53          3HB       SER  53  -0.676  20.213  -0.238
  397    HG   SER  53           HG       SER  53   0.882  18.735   1.327
  398    H    SER  54           H        SER  54   0.124  16.668   1.758
  399    HA   SER  54           HA       SER  54   2.326  15.407   0.391
  400   1HB   SER  54          2HB       SER  54   1.195  14.711   3.102
  401   2HB   SER  54          3HB       SER  54   2.816  14.380   2.498
  402    HG   SER  54           HG       SER  54   1.867  16.580   3.705
  403    H    THR  55           H        THR  55  -0.752  14.264   1.803
  404    HA   THR  55           HA       THR  55  -0.657  11.583   1.351
  405    HB   THR  55           HB       THR  55  -2.988  13.448   0.812
  406    HG1  THR  55           HG1      THR  55  -3.544  12.849   2.904
  407   1HG2  THR  55          1HG2      THR  55  -2.729  10.464   0.763
  408   2HG2  THR  55          2HG2      THR  55  -4.204  11.170   1.421
  409   3HG2  THR  55          3HG2      THR  55  -3.726  11.519  -0.239
  410    H    ILE  56           H        ILE  56  -1.229  14.102  -1.053
  411    HA   ILE  56           HA       ILE  56  -1.801  12.453  -3.273
  412    HB   ILE  56           HB       ILE  56  -0.367  15.122  -3.314
  413   1HG1  ILE  56          2HG1      ILE  56  -3.367  14.645  -3.379
  414   2HG1  ILE  56          3HG1      ILE  56  -2.496  15.084  -1.911
  415   1HG2  ILE  56          1HG2      ILE  56  -0.466  13.839  -5.450
  416   2HG2  ILE  56          2HG2      ILE  56  -2.224  13.800  -5.321
  417   3HG2  ILE  56          3HG2      ILE  56  -1.389  15.340  -5.523
  418   1HD1  ILE  56          1HD1      ILE  56  -2.790  16.712  -4.442
  419   2HD1  ILE  56          2HD1      ILE  56  -3.307  17.140  -2.812
  420   3HD1  ILE  56          3HD1      ILE  56  -1.588  17.091  -3.210
  421    H    THR  57           H        THR  57   1.248  13.978  -2.228
  422    HA   THR  57           HA       THR  57   2.914  12.737  -4.148
  423    HB   THR  57           HB       THR  57   3.612  13.769  -1.379
  424    HG1  THR  57           HG1      THR  57   4.441  15.445  -3.082
  425   1HG2  THR  57          1HG2      THR  57   5.899  13.995  -2.340
  426   2HG2  THR  57          2HG2      THR  57   5.373  12.315  -2.262
  427   3HG2  THR  57          3HG2      THR  57   5.345  13.178  -3.800
  428    H    LEU  58           H        LEU  58   1.808  11.807  -0.942
  429    HA   LEU  58           HA       LEU  58   3.500   9.642  -0.426
  430   1HB   LEU  58          2HB       LEU  58   1.746  10.740   1.107
  431   2HB   LEU  58          3HB       LEU  58   0.578   9.673   0.326
  432    HG   LEU  58           HG       LEU  58   2.333   7.800   0.871
  433   1HD1  LEU  58          1HD1      LEU  58   3.118  10.083   2.685
  434   2HD1  LEU  58          2HD1      LEU  58   3.420   8.403   3.129
  435   3HD1  LEU  58          3HD1      LEU  58   4.157   9.078   1.676
  436   1HD2  LEU  58          1HD2      LEU  58   0.377   9.145   2.723
  437   2HD2  LEU  58          2HD2      LEU  58   0.242   7.590   1.902
  438   3HD2  LEU  58          3HD2      LEU  58   1.315   7.762   3.292
  439    H    LYS  59           H        LYS  59   0.213   9.564  -1.833
  440    HA   LYS  59           HA       LYS  59   0.039   6.886  -2.449
  441   1HB   LYS  59          2HB       LYS  59  -1.757   8.606  -2.774
  442   2HB   LYS  59          3HB       LYS  59  -0.927   9.124  -4.242
  443   1HG   LYS  59          2HG       LYS  59  -1.045   6.688  -5.003
  444   2HG   LYS  59          3HG       LYS  59  -2.162   6.424  -3.665
  445   1HD   LYS  59          2HD       LYS  59  -2.539   8.445  -5.896
  446   2HD   LYS  59          3HD       LYS  59  -3.376   6.900  -5.762
  447   1HE   LYS  59          2HE       LYS  59  -4.950   8.272  -4.765
  448   2HE   LYS  59          3HE       LYS  59  -3.995   7.844  -3.347
  449   1HZ   LYS  59          1HZ       LYS  59  -4.408  10.382  -4.481
  450   1HZ   LYS  59          1HZ       LYS  59  -2.751  10.014  -4.562
  451   3HZ   LYS  59          3HZ       LYS  59  -3.560   9.978  -3.069
  452    H    ALA  60           H        ALA  60   1.272   9.464  -4.593
  453    HA   ALA  60           HA       ALA  60   2.153   7.769  -6.668
  454   1HB   ALA  60          1HB       ALA  60   3.015   9.664  -7.626
  455   2HB   ALA  60          2HB       ALA  60   1.978  10.439  -6.429
  456   3HB   ALA  60          3HB       ALA  60   3.703  10.249  -6.111
  457    H    GLY  61           H        GLY  61   3.424   8.439  -3.544
  458   1HA   GLY  61          1HA       GLY  61   6.163   7.747  -4.032
  459   2HA   GLY  61          2HA       GLY  61   5.375   7.862  -2.460
  460    H    ILE  62           H        ILE  62   3.324   6.037  -2.762
  461    HA   ILE  62           HA       ILE  62   4.582   3.590  -2.155
  462    HB   ILE  62           HB       ILE  62   1.748   3.793  -3.164
  463   1HG1  ILE  62          2HG1      ILE  62   2.849   4.638  -0.463
  464   2HG1  ILE  62          3HG1      ILE  62   1.998   5.655  -1.622
  465   1HG2  ILE  62          1HG2      ILE  62   3.024   2.151  -0.957
  466   2HG2  ILE  62          2HG2      ILE  62   1.380   1.990  -1.570
  467   3HG2  ILE  62          3HG2      ILE  62   2.746   1.567  -2.599
  468   1HD1  ILE  62          1HD1      ILE  62   0.342   5.091  -0.040
  469   2HD1  ILE  62          2HD1      ILE  62   0.049   3.981  -1.378
  470   3HD1  ILE  62          3HD1      ILE  62   0.889   3.416   0.065
  471    H    GLU  63           H        GLU  63   2.610   4.436  -5.012
  472    HA   GLU  63           HA       GLU  63   2.958   2.194  -6.546
  473   1HB   GLU  63          2HB       GLU  63   1.582   4.136  -7.225
  474   2HB   GLU  63          3HB       GLU  63   3.053   5.049  -7.553
  475   1HG   GLU  63          2HG       GLU  63   2.210   4.109  -9.641
  476   2HG   GLU  63          3HG       GLU  63   3.726   3.323  -9.216
  477    H    ARG  64           H        ARG  64   5.098   5.048  -6.500
  478    HA   ARG  64           HA       ARG  64   7.066   4.128  -8.240
  479   1HB   ARG  64          2HB       ARG  64   7.022   6.433  -7.366
  480   2HB   ARG  64          3HB       ARG  64   7.432   5.834  -5.761
  481   1HG   ARG  64          2HG       ARG  64   9.617   5.333  -6.347
  482   2HG   ARG  64          3HG       ARG  64   9.215   5.064  -8.041
  483   1HD   ARG  64          2HD       ARG  64   8.981   7.449  -8.422
  484   2HD   ARG  64          3HD       ARG  64   9.175   7.786  -6.704
  485    HE   ARG  64           HE       ARG  64  11.284   7.573  -8.516
  486   1HH1  ARG  64          1HH2      ARG  64  10.620   7.384  -5.236
  487   2HH1  ARG  64          2HH2      ARG  64  12.082   6.565  -4.792
  488   1HH2  ARG  64          1HH1      ARG  64  13.063   5.979  -8.064
  489   2HH2  ARG  64          2HH1      ARG  64  13.465   5.772  -6.392
  490    H    ALA  65           H        ALA  65   6.633   3.594  -4.776
  491    HA   ALA  65           HA       ALA  65   9.021   2.224  -4.249
  492   1HB   ALA  65          1HB       ALA  65   6.886   2.974  -2.735
  493   2HB   ALA  65          2HB       ALA  65   6.615   1.235  -2.847
  494   3HB   ALA  65          3HB       ALA  65   8.132   1.849  -2.193
  495    H    LEU  66           H        LEU  66   5.831   0.981  -5.264
  496    HA   LEU  66           HA       LEU  66   6.504  -1.750  -5.292
  497   1HB   LEU  66          2HB       LEU  66   4.606  -0.465  -7.254
  498   2HB   LEU  66          3HB       LEU  66   4.550  -2.099  -6.596
  499    HG   LEU  66           HG       LEU  66   3.997   0.499  -5.142
  500   1HD1  LEU  66          1HD1      LEU  66   1.803  -0.430  -4.823
  501   2HD1  LEU  66          2HD1      LEU  66   2.199  -0.608  -6.533
  502   3HD1  LEU  66          3HD1      LEU  66   2.313  -1.996  -5.449
  503   1HD2  LEU  66          1HD2      LEU  66   3.546  -1.092  -3.174
  504   2HD2  LEU  66          2HD2      LEU  66   4.478  -2.292  -4.070
  505   3HD2  LEU  66          3HD2      LEU  66   5.240  -0.789  -3.558
  506    H    HIS  67           H        HIS  67   6.315   0.481  -8.072
  507    HA   HIS  67           HA       HIS  67   7.413  -1.211  -9.981
  508   1HB   HIS  67          2HB       HIS  67   7.258   1.757  -9.660
  509   2HB   HIS  67          3HB       HIS  67   8.276   1.098 -10.943
  510    HD1  HIS  67           HD1      HIS  67   7.066   0.718 -13.077
  511    HD2  HIS  67           HD2      HIS  67   4.510   0.386  -9.804
  512    HE1  HIS  67           HE1      HIS  67   4.757   0.263 -14.012
  513    H    GLU  68           H        GLU  68   9.117   1.298  -8.111
  514    HA   GLU  68           HA       GLU  68  11.721   0.505  -8.951
  515   1HB   GLU  68          2HB       GLU  68  10.873   2.132  -6.544
  516   2HB   GLU  68          3HB       GLU  68  12.506   2.042  -7.205
  517   1HG   GLU  68          2HG       GLU  68  10.068   3.031  -8.717
  518   2HG   GLU  68          3HG       GLU  68  11.298   4.066  -7.992
  519    H    GLU  69           H        GLU  69   9.573  -0.883  -6.736
  520    HA   GLU  69           HA       GLU  69  11.599  -2.738  -5.786
  521   1HB   GLU  69          2HB       GLU  69  11.089  -0.581  -4.162
  522   2HB   GLU  69          3HB       GLU  69   9.895  -1.742  -3.590
  523   1HG   GLU  69          2HG       GLU  69  11.776  -2.226  -2.270
  524   2HG   GLU  69          3HG       GLU  69  11.857  -3.437  -3.545
  525    H    VAL  70           H        VAL  70  10.564  -4.367  -6.736
  526    HA   VAL  70           HA       VAL  70   9.163  -6.214  -6.716
  527    HB   VAL  70           HB       VAL  70   7.175  -4.564  -5.174
  528   1HG1  VAL  70          1HG1      VAL  70   6.493  -6.711  -6.360
  529   2HG1  VAL  70          2HG1      VAL  70   7.576  -7.557  -5.255
  530   3HG1  VAL  70          3HG1      VAL  70   6.185  -6.676  -4.624
  531   1HG2  VAL  70          1HG2      VAL  70   8.638  -4.620  -3.443
  532   2HG2  VAL  70          2HG2      VAL  70   8.335  -6.357  -3.392
  533   3HG2  VAL  70          3HG2      VAL  70   9.712  -5.727  -4.297
  534    HA   PRO  71           HA       PRO  71   7.204  -3.777 -10.101
  535   1HB   PRO  71          2HB       PRO  71   8.396  -5.613 -11.985
  536   2HB   PRO  71          3HB       PRO  71   8.759  -3.900 -11.732
  537   1HG   PRO  71          2HG       PRO  71  10.446  -6.004 -11.139
  538   2HG   PRO  71          3HG       PRO  71  10.581  -4.358 -10.503
  539   1HD   PRO  71          2HD       PRO  71   9.534  -6.808  -9.168
  540   2HD   PRO  71          3HD       PRO  71  10.337  -5.389  -8.463
  541    H    GLY  72           H        GLY  72   6.612  -5.456 -12.410
  542   1HA   GLY  72          1HA       GLY  72   5.211  -7.214 -13.089
  543   2HA   GLY  72          2HA       GLY  72   4.926  -7.620 -11.398
  544    H    VAL  73           H        VAL  73   4.486  -4.660 -10.904
  545    HA   VAL  73           HA       VAL  73   1.653  -4.664 -11.060
  546    HB   VAL  73           HB       VAL  73   3.701  -2.553 -10.374
  547   1HG1  VAL  73          1HG1      VAL  73   0.715  -2.274 -10.723
  548   2HG1  VAL  73          2HG1      VAL  73   1.582  -1.279  -9.555
  549   3HG1  VAL  73          3HG1      VAL  73   1.996  -1.189 -11.265
  550   1HG2  VAL  73          1HG2      VAL  73   2.551  -2.786  -8.146
  551   2HG2  VAL  73          2HG2      VAL  73   1.591  -4.096  -8.832
  552   3HG2  VAL  73          3HG2      VAL  73   3.342  -4.263  -8.693
  553    H    ILE  74           H        ILE  74   0.265  -3.651 -12.379
  554    HA   ILE  74           HA       ILE  74   1.380  -2.481 -14.857
  555    HB   ILE  74           HB       ILE  74  -1.330  -3.648 -14.961
  556   1HG1  ILE  74          2HG1      ILE  74   1.131  -5.380 -14.543
  557   2HG1  ILE  74          3HG1      ILE  74  -0.305  -5.326 -13.522
  558   1HG2  ILE  74          1HG2      ILE  74   0.048  -2.712 -16.868
  559   2HG2  ILE  74          2HG2      ILE  74   1.107  -4.112 -16.689
  560   3HG2  ILE  74          3HG2      ILE  74  -0.586  -4.337 -17.128
  561   1HD1  ILE  74          1HD1      ILE  74   0.018  -6.516 -16.260
  562   2HD1  ILE  74          2HD1      ILE  74  -0.745  -7.205 -14.829
  563   3HD1  ILE  74          3HD1      ILE  74  -1.569  -5.943 -15.745
  564    H    GLU  75           H        GLU  75  -1.244  -2.470 -12.499
  565    HA   GLU  75           HA       GLU  75  -1.604   0.374 -12.736
  566   1HB   GLU  75          2HB       GLU  75  -2.937  -0.960 -14.667
  567   2HB   GLU  75          3HB       GLU  75  -4.127  -1.069 -13.372
  568   1HG   GLU  75          2HG       GLU  75  -3.924   1.417 -13.064
  569   2HG   GLU  75          3HG       GLU  75  -2.872   1.460 -14.479
  570    H    VAL  76           H        VAL  76  -1.643   0.765 -10.598
  571    HA   VAL  76           HA       VAL  76  -2.918  -1.079  -8.750
  572    HB   VAL  76           HB       VAL  76  -0.753   0.172  -8.287
  573   1HG1  VAL  76          1HG1      VAL  76  -2.620   2.478  -7.677
  574   2HG1  VAL  76          2HG1      VAL  76  -0.859   2.475  -7.635
  575   3HG1  VAL  76          3HG1      VAL  76  -1.702   2.365  -9.179
  576   1HG2  VAL  76          1HG2      VAL  76  -1.166   0.136  -5.996
  577   2HG2  VAL  76          2HG2      VAL  76  -2.770   0.849  -6.166
  578   3HG2  VAL  76          3HG2      VAL  76  -2.506  -0.845  -6.585
  579    H    GLU  77           H        GLU  77  -4.241   0.081  -6.937
  580    HA   GLU  77           HA       GLU  77  -6.038   2.137  -7.984
  581   1HB   GLU  77          2HB       GLU  77  -6.790  -0.713  -7.470
  582   2HB   GLU  77          3HB       GLU  77  -7.943   0.541  -7.015
  583   1HG   GLU  77          2HG       GLU  77  -8.011   1.405  -9.262
  584   2HG   GLU  77          3HG       GLU  77  -6.664   0.383  -9.755
  585    H    GLN  78           H        GLN  78  -5.050   3.411  -6.337
  586    HA   GLN  78           HA       GLN  78  -5.628   2.601  -3.562
  587   1HB   GLN  78          2HB       GLN  78  -3.291   3.479  -4.505
  588   2HB   GLN  78          3HB       GLN  78  -4.029   5.045  -4.187
  589   1HG   GLN  78          2HG       GLN  78  -3.499   2.805  -2.230
  590   2HG   GLN  78          3HG       GLN  78  -2.903   4.465  -2.170
  591   1HE2  GLN  78          2HE2      GLN  78  -4.533   6.187  -1.651
  592   2HE2  GLN  78          1HE2      GLN  78  -5.931   5.767  -0.785
  593    H    VAL  79           H        VAL  79  -7.819   3.092  -3.485
  594    HA   VAL  79           HA       VAL  79  -8.661   5.823  -4.114
  595    HB   VAL  79           HB       VAL  79 -10.929   5.001  -3.802
  596   1HG1  VAL  79          1HG1      VAL  79 -10.007   4.604  -5.989
  597   2HG1  VAL  79          2HG1      VAL  79  -9.111   3.195  -5.419
  598   3HG1  VAL  79          3HG1      VAL  79 -10.871   3.140  -5.523
  599   1HG2  VAL  79          1HG2      VAL  79  -9.557   2.448  -2.901
  600   2HG2  VAL  79          2HG2      VAL  79 -10.606   3.480  -1.929
  601   3HG2  VAL  79          3HG2      VAL  79 -11.271   2.565  -3.282
  602    H    PHE  80           H        PHE  80 -10.369   6.705  -2.493
  603    HA   PHE  80           HA       PHE  80  -9.065   6.788   0.145
  604   1HB   PHE  80          2HB       PHE  80 -11.282   8.605  -0.784
  605   2HB   PHE  80          3HB       PHE  80 -10.054   8.904   0.447
  606    HD1  PHE  80           HD1      PHE  80  -7.624   9.130  -0.265
  607    HD2  PHE  80           HD2      PHE  80 -10.881   9.123  -3.066
  608    HE1  PHE  80           HE1      PHE  80  -6.150  10.142  -1.985
  609    HE2  PHE  80           HE2      PHE  80  -9.408  10.135  -4.783
  610    HZ   PHE  80           HZ       PHE  80  -7.040  10.639  -4.245
  611    H    LEU  81           H        LEU  81 -10.493   7.001   2.050
  612    HA   LEU  81           HA       LEU  81 -12.365   4.818   2.125
  613   1HB   LEU  81          2HB       LEU  81 -10.876   5.316   4.030
  614   2HB   LEU  81          3HB       LEU  81 -11.671   6.876   4.237
  615    HG   LEU  81           HG       LEU  81 -13.869   5.461   4.379
  616   1HD1  LEU  81          1HD1      LEU  81 -12.965   3.314   3.726
  617   2HD1  LEU  81          2HD1      LEU  81 -11.722   3.406   4.975
  618   3HD1  LEU  81          3HD1      LEU  81 -13.415   3.218   5.427
  619   1HD2  LEU  81          1HD2      LEU  81 -11.733   5.750   6.486
  620   2HD2  LEU  81          2HD2      LEU  81 -13.247   6.640   6.315
  621   3HD2  LEU  81          3HD2      LEU  81 -13.263   4.967   6.872
  622    H    GLU  82           H        GLU  82 -12.798   8.127   3.313
  623    HA   GLU  82           HA       GLU  82 -15.003   8.815   1.694
  624   1HB   GLU  82          2HB       GLU  82 -15.642   7.037   3.877
  625   2HB   GLU  82          3HB       GLU  82 -16.412   8.603   4.134
  626   1HG   GLU  82          2HG       GLU  82 -17.491   8.522   1.998
  627   2HG   GLU  82          3HG       GLU  82 -16.532   7.133   1.494
  628    H    HIS  83           H        HIS  83 -15.668  10.917   2.047
  629    HA   HIS  83           HA       HIS  83 -13.970  12.476   3.828
  630   1HB   HIS  83          2HB       HIS  83 -16.136  13.653   2.112
  631   2HB   HIS  83          3HB       HIS  83 -14.590  14.351   2.585
  632    HD1  HIS  83           HD1      HIS  83 -13.276  11.354   1.767
  633    HD2  HIS  83           HD2      HIS  83 -15.216  14.147  -0.645
  634    HE1  HIS  83           HE1      HIS  83 -12.563  10.861  -0.610
  635    H    HIS  84           H        HIS  84 -17.469  12.665   3.131
  636    HA   HIS  84           HA       HIS  84 -18.116  12.547   5.963
  637   1HB   HIS  84          2HB       HIS  84 -17.474  14.942   5.542
  638   2HB   HIS  84          3HB       HIS  84 -18.789  15.038   4.373
  639    HD1  HIS  84           HD1      HIS  84 -21.244  14.427   5.396
  640    HD2  HIS  84           HD2      HIS  84 -18.277  15.395   8.160
  641    HE1  HIS  84           HE1      HIS  84 -22.438  15.003   7.554
  642    H    HIS  85           H        HIS  85 -19.463  10.835   5.575
  643    HA   HIS  85           HA       HIS  85 -22.034  11.442   4.384
  644   1HB   HIS  85          2HB       HIS  85 -20.536  10.690   2.470
  645   2HB   HIS  85          3HB       HIS  85 -20.470   9.115   3.262
  646    HD1  HIS  85           HD1      HIS  85 -22.368   7.545   2.794
  647    HD2  HIS  85           HD2      HIS  85 -23.333  11.483   1.817
  648    HE1  HIS  85           HE1      HIS  85 -24.634   7.467   1.659
  649    H    HIS  86           H        HIS  86 -22.753  11.059   6.514
  650    HA   HIS  86           HA       HIS  86 -22.329   8.411   7.674
  651   1HB   HIS  86          2HB       HIS  86 -23.854  10.801   8.741
  652   2HB   HIS  86          3HB       HIS  86 -23.475   9.329   9.634
  653    HD1  HIS  86           HD1      HIS  86 -20.561   9.518   7.837
  654    HD2  HIS  86           HD2      HIS  86 -22.064  11.995  10.843
  655    HE1  HIS  86           HE1      HIS  86 -18.574  10.749   8.811
  656    H    HIS  87           H        HIS  87 -25.058  10.455   6.627
  657    HA   HIS  87           HA       HIS  87 -26.666   7.991   6.310
  658   1HB   HIS  87          2HB       HIS  87 -28.647   9.202   6.983
  659   2HB   HIS  87          3HB       HIS  87 -27.423   9.403   8.237
  660    HD1  HIS  87           HD1      HIS  87 -29.398  11.282   5.710
  661    HD2  HIS  87           HD2      HIS  87 -26.196  12.034   8.274
  662    HE1  HIS  87           HE1      HIS  87 -29.102  13.799   5.772
  663    H    HIS  88           H        HIS  88 -28.454   8.255   4.716
  664    HA   HIS  88           HA       HIS  88 -27.414   9.321   2.260
  665   1HB   HIS  88          2HB       HIS  88 -29.397   8.374   1.248
  666   2HB   HIS  88          3HB       HIS  88 -28.757   7.223   2.418
  667    HD1  HIS  88           HD1      HIS  88 -31.855   8.685   1.442
  668    HD2  HIS  88           HD2      HIS  88 -30.153   7.721   5.124
  669    HE1  HIS  88           HE1      HIS  88 -33.761   8.568   3.107