*HEADER   NUCLEAR PROTEIN                         26-MAR-97   2U1A    
*TITLE    RNA BINDING DOMAIN 2 OF HUMAN U1A PROTEIN, NMR,             
*TITLE   2 20 STRUCTURES                                              
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A;            
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: RNA BINDING DOMAIN 2, RBD2;                      
*COMPND  5 SYNONYM: U1 SNRNP A PROTEIN;                               
*COMPND  6 ENGINEERED: YES;                                           
*COMPND  7 MUTATION: P2A                                              
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  3 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  4 PLASMID: 1603 TAC2;                                        
*SOURCE  5 GENE: PHA;                                                 
*SOURCE  6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  7 EXPRESSION_SYSTEM_STRAIN: MG1655;                          
*SOURCE  8 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;            
*SOURCE  9 EXPRESSION_SYSTEM_VECTOR_TYPE: BACTERIA;                   
*SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PAV105;                          
*SOURCE 11 EXPRESSION_SYSTEM_PLASMID: 1603 TAC2                       
*KEYWDS   RNA BINDING DOMAIN, NUCLEAR PROTEIN                         
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   J.LU,K.B.HALL                                               
*REVDAT  1   26-SEP-97 2U1A    0                                      
 
assign (resid  10 and name HA    )
       (resid  11 and name HD+   )   4.90  3.04  1.86
assign (resid  10 and name HA    )
       (resid  12 and name HD+   )   4.90  3.04  1.86
assign (resid  10 and name HB+   )
       (resid  10 and name HA    )   4.90  3.04  1.86
assign (resid  10 and name HB+   )
       (resid  11 and name HD+   )   4.90  3.04  3.63
assign (resid  10 and name HB+   )
       (resid  87 and name HA    )   4.90  3.04  1.86
assign (resid  10 and name HD2+  )
       (resid  10 and name HA    )   4.90  3.04  1.86
assign (resid  10 and name HD2+  )
       (resid  10 and name HB+   )   4.90  3.04  3.63
assign (resid  10 and name HD2+  )
       (resid  86 and name HA    )   4.90  3.04  1.86
assign (resid  10 and name HD2+  )
       (resid  86 and name HB+   )   4.90  3.04  3.63
assign (resid  10 and name HD2+  )
       (resid  87 and name HA    )   4.90  3.04  1.86
assign (resid  10 and name HD2+  )
       (resid  87 and name HB+   )   4.90  3.04  3.63
assign (resid  10 and name HD2+  )
       (resid  87 and name HG+   )   4.90  3.04  3.63
assign (resid  10 and name HD2+  )
       (resid  88 and name HB+   )   4.90  3.04  3.63
assign (resid  10 and name HN    )
       (resid  10 and name HA    )   4.90  3.04  0.10
assign (resid  10 and name HN    )
       (resid  10 and name HB+   )   4.90  3.04  1.86
assign (resid  10 and name HN    )
       (resid  10 and name HD2+  )   4.90  3.04  1.86
assign (resid  10 and name HN    )
       (resid  11 and name HD+   )   4.90  3.04  0.10
assign (resid  10 and name HN    )
       (resid  11 and name HD+   )   4.90  3.04  0.10
assign (resid  10 and name HN    )
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assign (resid  10 and name HN    )
       (resid   9 and name HB+   )   4.90  3.04  1.86
assign (resid  10 and name HN    )
       (resid   9 and name HG+   )   4.90  3.04  1.86
assign (resid  11 and name HA    )
       (resid  11 and name HB+   )   4.90  3.04  1.86
assign (resid  11 and name HA    )
       (resid  11 and name HD+   )   4.90  3.04  1.86
assign (resid  11 and name HA    )
       (resid  11 and name HG+   )   4.90  3.04  1.86
assign (resid  11 and name HA    )
       (resid  12 and name HG+   )   4.90  3.04  1.86
assign (resid  11 and name HB+   )
       (resid  10 and name HA    )   4.90  3.04  1.86
assign (resid  11 and name HB+   )
       (resid  10 and name HB+   )   4.90  3.04  3.63
assign (resid  11 and name HB+   )
       (resid  11 and name HD+   )   4.90  3.04  3.63
assign (resid  11 and name HB+   )
       (resid  11 and name HG+   )   4.90  3.04  3.63
assign (resid  11 and name HB+   )
       (resid  12 and name HB+   )   4.90  3.04  3.63
assign (resid  11 and name HB+   )
       (resid  12 and name HG+   )   4.90  3.04  3.63
assign (resid  11 and name HD+   )
       (resid  88 and name HG+   )   4.90  3.04  3.63
assign (resid  11 and name HG+   )
       (resid  10 and name HA    )   4.90  3.04  1.86
assign (resid  11 and name HG+   )
       (resid  10 and name HB+   )   4.90  3.04  3.63
assign (resid  11 and name HG+   )
       (resid  11 and name HD+   )   4.90  3.04  3.63
assign (resid  12 and name HA    )
       (resid  12 and name HD+   )   4.90  3.04  1.86
assign (resid  12 and name HB+   )
       (resid  11 and name HA    )   4.90  3.04  1.86
assign (resid  12 and name HB+   )
       (resid  11 and name HG+   )   4.90  3.04  3.63
assign (resid  12 and name HB+   )
       (resid  12 and name HA    )   4.90  3.04  1.86
assign (resid  12 and name HB+   )
       (resid  12 and name HD+   )   4.90  3.04  3.63
assign (resid  12 and name HB+   )
       (resid  12 and name HG+   )   4.90  3.04  3.63
assign (resid  12 and name HD+   )
       (resid  11 and name HA    )   4.90  3.04  1.86
assign (resid  12 and name HD+   )
       (resid  11 and name HG+   )   4.90  3.04  3.63
assign (resid  12 and name HD+   )
       (resid  12 and name HG+   )   4.90  3.04  3.63
assign (resid  12 and name HG+   )
       (resid  11 and name HG+   )   4.90  3.04  3.63
assign (resid  12 and name HG+   )
       (resid  12 and name HA    )   4.90  3.04  1.86
assign (resid  13 and name HA    )
       (resid  11 and name HB+   )   4.90  3.04  1.86
assign (resid  13 and name HA    )
       (resid  12 and name HD+   )   4.90  3.04  1.86
assign (resid  13 and name HA    )
       (resid  12 and name HG+   )   4.90  3.04  1.86
assign (resid  13 and name HA    )
       (resid  60 and name HB+   )   4.90  3.04  1.86
assign (resid  13 and name HB+   )
       (resid  13 and name HA    )   4.90  3.04  1.86
assign (resid  13 and name HB+   )
       (resid  85 and name HA    )   4.90  3.04  1.86
assign (resid  13 and name HB+   )
       (resid  86 and name HB+   )   4.90  3.04  3.63
assign (resid  13 and name HB+   )
       (resid  87 and name HG+   )   4.90  3.04  3.63
assign (resid  13 and name HD2+  )
       (resid  13 and name HA    )   4.90  3.04  1.86
assign (resid  13 and name HD2+  )
       (resid  13 and name HB+   )   4.90  3.04  3.63
assign (resid  13 and name HD2+  )
       (resid  86 and name HB+   )   4.90  3.04  3.63
assign (resid  13 and name HD2+  )
       (resid  87 and name HA    )   4.90  3.04  1.86
assign (resid  13 and name HD2+  )
       (resid  88 and name HB+   )   4.90  3.04  1.86
assign (resid  13 and name HD2+  )
       (resid  88 and name HB+   )   4.90  3.04  1.86
assign (resid  13 and name HN    )
       (resid  11 and name HB+   )   4.90  3.04  1.86
assign (resid  13 and name HN    )
       (resid  12 and name HD+   )   4.90  3.04  1.86
assign (resid  13 and name HN    )
       (resid  12 and name HG+   )   4.90  3.04  1.86
assign (resid  13 and name HN    )
       (resid  13 and name HA    )   4.90  3.04  0.10
assign (resid  13 and name HN    )
       (resid  13 and name HB+   )   4.90  3.04  1.86
assign (resid  13 and name HN    )
       (resid  13 and name HD2+  )   4.90  3.04  1.86
assign (resid  13 and name HN    )
       (resid  14 and name HN    )   4.90  3.04  0.10
assign (resid  13 and name HN    )
       (resid  60 and name HB+   )   4.90  3.04  1.86
assign (resid  13 and name HN    )
       (resid  85 and name HB+   )   4.90  3.04  1.86
assign (resid  13 and name HN    )
       (resid  87 and name HB+   )   4.90  3.04  1.86
assign (resid  14 and name HA    )
       (resid  60 and name HB+   )   4.90  3.04  1.86
assign (resid  14 and name HA    )
       (resid  63 and name HA    )   4.90  3.04  0.10
assign (resid  14 and name HB+   )
       (resid  13 and name HA    )   4.90  3.04  1.86
assign (resid  14 and name HB+   )
       (resid  14 and name HA    )   4.90  3.04  1.86
assign (resid  14 and name HB+   )
       (resid  15 and name HA    )   4.90  3.04  1.86
assign (resid  14 and name HB+   )
       (resid  60 and name HA    )   4.90  3.04  1.86
assign (resid  14 and name HB+   )
       (resid  60 and name HB+   )   4.90  3.04  3.63
assign (resid  14 and name HB+   )
       (resid  60 and name HG+   )   4.90  3.04  3.63
assign (resid  14 and name HB+   )
       (resid  63 and name HA    )   4.90  3.04  1.86
assign (resid  14 and name HB+   )
       (resid  63 and name HB+   )   4.90  3.04  3.63
assign (resid  14 and name HN    )
       (resid  13 and name HA    )   4.90  3.04  0.10
assign (resid  14 and name HN    )
       (resid  13 and name HB+   )   4.90  3.04  1.86
assign (resid  14 and name HN    )
       (resid  13 and name HD2+  )   4.90  3.04  1.86
assign (resid  14 and name HN    )
       (resid  14 and name HA    )   4.90  3.04  0.10
assign (resid  14 and name HN    )
       (resid  14 and name HB+   )   4.90  3.04  1.86
assign (resid  14 and name HN    )
       (resid  15 and name HG1+  )   4.90  3.04  1.86
assign (resid  14 and name HN    )
       (resid  15 and name HN    )   4.90  3.04  0.10
assign (resid  14 and name HN    )
       (resid  60 and name HA    )   4.90  3.04  0.10
assign (resid  14 and name HN    )
       (resid  60 and name HB+   )   4.90  3.04  0.10
assign (resid  14 and name HN    )
       (resid  60 and name HB+   )   4.90  3.04  0.10
assign (resid  14 and name HN    )
       (resid  60 and name HG+   )   4.90  3.04  1.86
assign (resid  14 and name HN    )
       (resid  63 and name HB+   )   4.90  3.04  1.86
assign (resid  14 and name HN    )
       (resid  86 and name HB+   )   4.90  3.04  1.86
assign (resid  15 and name HA    )
       (resid  15 and name HG1+  )   4.90  3.04  1.86
assign (resid  15 and name HA    )
       (resid  15 and name HG2+  )   4.90  3.04  1.86
assign (resid  15 and name HA    )
       (resid  55 and name HG++  )   4.90  3.04  4.76
assign (resid  15 and name HA    )
       (resid  56 and name HB+   )   4.90  3.04  1.86
assign (resid  15 and name HA    )
       (resid  86 and name HB+   )   4.90  3.04  1.86
assign (resid  15 and name HD1+  )
       (resid  15 and name HA    )   4.90  3.04  1.86
assign (resid  15 and name HD1+  )
       (resid  15 and name HG1+  )   4.90  3.04  3.63
assign (resid  15 and name HD1+  )
       (resid  15 and name HG2+  )   4.90  3.04  3.63
assign (resid  15 and name HD1+  )
       (resid  56 and name HA    )   4.90  3.04  1.86
assign (resid  15 and name HD1+  )
       (resid  56 and name HB+   )   4.90  3.04  3.63
assign (resid  15 and name HD1+  )
       (resid  15 and name HB    )   4.90  3.04  1.86
assign (resid  15 and name HD1+  )
       (resid  56 and name HG+   )   4.90  3.04  3.63
assign (resid  15 and name HD1+  )
       (resid  86 and name HB+   )   4.90  3.04  3.63
assign (resid  15 and name HG1+  )
       (resid  15 and name HB    )   4.90  3.04  1.86
assign (resid  15 and name HG1+  )
       (resid  56 and name HA    )   4.90  3.04  1.86
assign (resid  15 and name HG1+  )
       (resid  56 and name HB+   )   4.90  3.04  3.63
assign (resid  15 and name HG2+  )
       (resid  15 and name HB    )   4.90  3.04  1.86
assign (resid  15 and name HG2+  )
       (resid  15 and name HG1+  )   4.90  3.04  3.63
assign (resid  15 and name HG2+  )
       (resid  16 and name HA    )   4.90  3.04  1.86
assign (resid  15 and name HG2+  )
       (resid  16 and name HB+   )   4.90  3.04  3.63
assign (resid  15 and name HG2+  )
       (resid  16 and name HG    )   4.90  3.04  1.86
assign (resid  15 and name HG2+  )
       (resid  54 and name HA    )   4.90  3.04  1.86
assign (resid  15 and name HG2+  )
       (resid  54 and name HB+   )   4.90  3.04  3.63
assign (resid  15 and name HG2+  )
       (resid  55 and name HG++  )   4.90  3.04  6.52
assign (resid  15 and name HG2+  )
       (resid  56 and name HA    )   4.90  3.04  1.86
assign (resid  15 and name HG2+  )
       (resid  56 and name HB+   )   4.90  3.04  3.63
assign (resid  15 and name HG2+  )
       (resid  56 and name HG+   )   4.90  3.04  3.63
assign (resid  15 and name HG2+  )
       (resid  86 and name HA    )   4.90  3.04  1.86
assign (resid  15 and name HN    )
       (resid  13 and name HA    )   4.90  3.04  0.10
assign (resid  15 and name HN    )
       (resid  13 and name HB+   )   4.90  3.04  1.86
assign (resid  15 and name HN    )
       (resid  13 and name HD2+  )   4.90  3.04  1.86
assign (resid  15 and name HN    )
       (resid  14 and name HA    )   4.90  3.04  0.10
assign (resid  15 and name HN    )
       (resid  14 and name HB+   )   4.90  3.04  1.86
assign (resid  15 and name HN    )
       (resid  15 and name HA    )   4.90  3.04  0.10
assign (resid  15 and name HN    )
       (resid  15 and name HB    )   4.90  3.04  0.10
assign (resid  15 and name HN    )
       (resid  15 and name HD1+  )   4.90  3.04  1.86
assign (resid  15 and name HN    )
       (resid  15 and name HG1+  )   4.90  3.04  1.86
assign (resid  15 and name HN    )
       (resid  15 and name HG2+  )   4.90  3.04  1.86
assign (resid  15 and name HN    )
       (resid  16 and name HG    )   4.90  3.04  0.10
assign (resid  15 and name HN    )
       (resid  16 and name HN    )   4.90  3.04  0.10
assign (resid  15 and name HN    )
       (resid  56 and name HG+   )   4.90  3.04  1.86
assign (resid  15 and name HN    )
       (resid  57 and name HN    )   4.90  3.04  0.10
assign (resid  15 and name HN    )
       (resid  63 and name HB+   )   4.90  3.04  1.86
assign (resid  15 and name HN    )
       (resid  85 and name HB+   )   4.90  3.04  1.86
assign (resid  16 and name HA    )
       (resid  15 and name HA    )   4.90  3.04  0.10
assign (resid  16 and name HA    )
       (resid  55 and name HG++  )   4.90  3.04  4.76
assign (resid  16 and name HB+   )
       (resid  16 and name HA    )   4.90  3.04  1.86
assign (resid  16 and name HB+   )
       (resid  16 and name HD++  )   4.90  3.04  6.52
assign (resid  16 and name HB+   )
       (resid  16 and name HG    )   4.90  3.04  1.86
assign (resid  16 and name HB+   )
       (resid  17 and name HA    )   4.90  3.04  1.86
assign (resid  16 and name HB+   )
       (resid  18 and name HB+   )   4.90  3.04  3.63
assign (resid  16 and name HB+   )
       (resid  55 and name HG++  )   4.90  3.04  6.52
assign (resid  16 and name HB+   )
       (resid  83 and name HG1+  )   4.90  3.04  3.63
assign (resid  16 and name HD++  )
       (resid  13 and name HB+   )   4.90  3.04  6.52
assign (resid  16 and name HD++  )
       (resid  13 and name HD2+  )   4.90  3.04  6.52
assign (resid  16 and name HD++  )
       (resid  14 and name HB+   )   4.90  3.04  6.52
assign (resid  16 and name HD++  )
       (resid  15 and name HA    )   4.90  3.04  4.76
assign (resid  16 and name HD++  )
       (resid  15 and name HN    )   4.90  3.04  4.76
assign (resid  16 and name HD++  )
       (resid  16 and name HA    )   4.90  3.04  4.76
assign (resid  16 and name HD++  )
       (resid  17 and name HA    )   4.90  3.04  4.76
assign (resid  16 and name HD++  )
       (resid  17 and name HB+   )   4.90  3.04  6.52
assign (resid  16 and name HD++  )
       (resid  55 and name HG++  )   4.90  3.04  9.42
assign (resid  16 and name HD++  )
       (resid  56 and name HA    )   4.90  3.04  4.76
assign (resid  16 and name HD++  )
       (resid  56 and name HG+   )   4.90  3.04  6.52
assign (resid  16 and name HD++  )
       (resid  57 and name HE+   )   4.90  3.04  9.52
assign (resid  16 and name HD++  )
       (resid  60 and name HA    )   4.90  3.04  4.76
assign (resid  16 and name HD++  )
       (resid  60 and name HB+   )   4.90  3.04  6.52
assign (resid  16 and name HD++  )
       (resid  63 and name HA    )   4.90  3.04  4.76
assign (resid  16 and name HD++  )
       (resid  63 and name HB+   )   4.90  3.04  6.52
assign (resid  16 and name HD++  )
       (resid  64 and name HA+   )   4.90  3.04  6.52
assign (resid  16 and name HD++  )
       (resid  66 and name HB+   )   4.90  3.04  6.52
assign (resid  16 and name HD++  )
       (resid  66 and name HN    )   4.90  3.04  4.76
assign (resid  16 and name HD++  )
       (resid  67 and name HB+   )   4.90  3.04  6.52
assign (resid  16 and name HD++  )
       (resid  83 and name HG1+  )   4.90  3.04  6.52
assign (resid  16 and name HD++  )
       (resid  84 and name HB+   )   4.90  3.04  6.52
assign (resid  16 and name HD++  )
       (resid  85 and name HA    )   4.90  3.04  4.76
assign (resid  16 and name HG    )
       (resid  16 and name HA    )   4.90  3.04  0.10
assign (resid  16 and name HG    )
       (resid  16 and name HD++  )   4.90  3.04  4.76
assign (resid  16 and name HN    )
       (resid  15 and name HA    )   4.90  3.04  0.10
assign (resid  16 and name HN    )
       (resid  15 and name HB    )   4.90  3.04  0.10
assign (resid  16 and name HN    )
       (resid  15 and name HG1+  )   4.90  3.04  0.10
assign (resid  16 and name HN    )
       (resid  15 and name HG1+  )   4.90  3.04  0.10
assign (resid  16 and name HN    )
       (resid  15 and name HG2+  )   4.90  3.04  1.86
assign (resid  16 and name HN    )
       (resid  16 and name HA    )   4.90  3.04  0.10
assign (resid  16 and name HN    )
       (resid  16 and name HB+   )   4.90  3.04  1.86
assign (resid  16 and name HN    )
       (resid  16 and name HG    )   4.90  3.04  0.10
assign (resid  16 and name HN    )
       (resid  17 and name HA    )   4.90  3.04  0.10
assign (resid  16 and name HN    )
       (resid  54 and name HD+   )   4.90  3.04  4.40
assign (resid  16 and name HN    )
       (resid  55 and name HG++  )   4.90  3.04  4.76
assign (resid  16 and name HN    )
       (resid  56 and name HA    )   4.90  3.04  0.10
assign (resid  16 and name HN    )
       (resid  56 and name HB+   )   4.90  3.04  1.86
assign (resid  16 and name HN    )
       (resid  57 and name HD+   )   4.90  3.04  4.40
assign (resid  16 and name HN    )
       (resid  85 and name HA    )   4.90  3.04  0.10
assign (resid  17 and name HA    )
       (resid  18 and name HB+   )   4.90  3.04  1.86
assign (resid  17 and name HA    )
       (resid  54 and name HA    )   4.90  3.04  0.10
assign (resid  17 and name HB+   )
       (resid  15 and name HG2+  )   4.90  3.04  3.63
assign (resid  17 and name HB+   )
       (resid  16 and name HA    )   4.90  3.04  1.86
assign (resid  17 and name HB+   )
       (resid  17 and name HA    )   4.90  3.04  1.86
assign (resid  17 and name HB+   )
       (resid  18 and name HA    )   4.90  3.04  1.86
assign (resid  17 and name HB+   )
       (resid  18 and name HB+   )   4.90  3.04  3.63
assign (resid  17 and name HB+   )
       (resid  54 and name HD+   )   4.90  3.04  6.10
assign (resid  17 and name HB+   )
       (resid  84 and name HB+   )   4.90  3.04  3.63
assign (resid  17 and name HB+   )
       (resid  86 and name HA    )   4.90  3.04  1.86
assign (resid  17 and name HD+   )
       (resid  16 and name HA    )   4.90  3.04  4.40
assign (resid  17 and name HD+   )
       (resid  17 and name HA    )   4.90  3.04  4.40
assign (resid  17 and name HD+   )
       (resid  17 and name HB+   )   4.90  3.04  4.40
assign (resid  17 and name HD+   )
       (resid  17 and name HZ    )   4.90  3.04  4.40
assign (resid  17 and name HD+   )
       (resid  18 and name HA    )   4.90  3.04  4.40
assign (resid  17 and name HD+   )
       (resid  19 and name HG2+  )   4.90  3.04  6.10
assign (resid  17 and name HD+   )
       (resid  54 and name HA    )   4.90  3.04  4.40
assign (resid  17 and name HE+   )
       (resid  17 and name HD+   )   4.90  3.04  3.63
assign (resid  17 and name HE+   )
       (resid  19 and name HG2+  )   4.90  3.04  6.10
assign (resid  17 and name HE+   )
       (resid  52 and name HB    )   4.90  3.04  4.40
assign (resid  17 and name HE+   )
       (resid  52 and name HD1+  )   4.90  3.04  4.40
assign (resid  17 and name HE+   )
       (resid  52 and name HG2+  )   4.90  3.04  6.10
assign (resid  17 and name HN    )
       (resid  16 and name HA    )   4.90  3.04  0.10
assign (resid  17 and name HN    )
       (resid  16 and name HB+   )   4.90  3.04  1.86
assign (resid  17 and name HN    )
       (resid  16 and name HD++  )   4.90  3.04  4.76
assign (resid  17 and name HN    )
       (resid  17 and name HA    )   4.90  3.04  0.10
assign (resid  17 and name HN    )
       (resid  17 and name HB+   )   4.90  3.04  1.86
assign (resid  17 and name HN    )
       (resid  18 and name HB+   )   4.90  3.04  1.86
assign (resid  17 and name HN    )
       (resid  18 and name HD++  )   4.90  3.04  4.76
assign (resid  17 and name HN    )
       (resid  18 and name HN    )   4.90  3.04  0.10
assign (resid  17 and name HN    )
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assign (resid  17 and name HN    )
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assign (resid  17 and name HN    )
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assign (resid  17 and name HN    )
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assign (resid  17 and name HZ    )
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assign (resid  17 and name HZ    )
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assign (resid  17 and name HZ    )
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assign (resid  18 and name HA    )
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assign (resid  18 and name HA    )
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assign (resid  18 and name HB+   )
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assign (resid  18 and name HB+   )
       (resid  19 and name HG2+  )   4.90  3.04  3.63
assign (resid  18 and name HB+   )
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assign (resid  18 and name HD++  )
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assign (resid  18 and name HD++  )
       (resid  17 and name HA    )   4.90  3.04  4.76
assign (resid  18 and name HD++  )
       (resid  18 and name HA    )   4.90  3.04  4.76
assign (resid  18 and name HD++  )
       (resid  18 and name HB+   )   4.90  3.04  6.52
assign (resid  18 and name HD++  )
       (resid  18 and name HG    )   4.90  3.04  4.76
assign (resid  18 and name HD++  )
       (resid  19 and name HG2+  )   4.90  3.04  6.52
assign (resid  18 and name HD++  )
       (resid  53 and name HB+   )   4.90  3.04  6.52
assign (resid  18 and name HD++  )
       (resid  81 and name HG+   )   4.90  3.04  6.52
assign (resid  18 and name HD++  )
       (resid  82 and name HB+   )   4.90  3.04  6.52
assign (resid  18 and name HD++  )
       (resid  83 and name HA    )   4.90  3.04  4.76
assign (resid  18 and name HD++  )
       (resid  84 and name HB+   )   4.90  3.04  6.52
assign (resid  18 and name HG    )
       (resid  18 and name HA    )   4.90  3.04  0.10
assign (resid  18 and name HG    )
       (resid  18 and name HB+   )   4.90  3.04  1.86
assign (resid  18 and name HN    )
       (resid  17 and name HA    )   4.90  3.04  0.10
assign (resid  18 and name HN    )
       (resid  17 and name HB+   )   4.90  3.04  0.10
assign (resid  18 and name HN    )
       (resid  17 and name HB+   )   4.90  3.04  0.10
assign (resid  18 and name HN    )
       (resid  17 and name HD+   )   4.90  3.04  4.40
assign (resid  18 and name HN    )
       (resid  18 and name HA    )   4.90  3.04  0.10
assign (resid  18 and name HN    )
       (resid  18 and name HB+   )   4.90  3.04  0.10
assign (resid  18 and name HN    )
       (resid  18 and name HB+   )   4.90  3.04  0.10
assign (resid  18 and name HN    )
       (resid  18 and name HD++  )   4.90  3.04  1.86
assign (resid  18 and name HN    )
       (resid  18 and name HD++  )   4.90  3.04  1.86
assign (resid  18 and name HN    )
       (resid  52 and name HA    )   4.90  3.04  0.10
assign (resid  18 and name HN    )
       (resid  52 and name HB    )   4.90  3.04  0.10
assign (resid  18 and name HN    )
       (resid  53 and name HB+   )   4.90  3.04  1.86
assign (resid  18 and name HN    )
       (resid  54 and name HA    )   4.90  3.04  0.10
assign (resid  18 and name HN    )
       (resid  55 and name HG++  )   4.90  3.04  4.76
assign (resid  19 and name HA    )
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assign (resid  19 and name HA    )
       (resid  53 and name HB+   )   4.90  3.04  1.86
assign (resid  19 and name HA    )
       (resid  83 and name HG1+  )   4.90  3.04  1.86
assign (resid  19 and name HB    )
       (resid  18 and name HD++  )   4.90  3.04  4.76
assign (resid  19 and name HB    )
       (resid  19 and name HA    )   4.90  3.04  0.10
assign (resid  19 and name HB    )
       (resid  19 and name HG2+  )   4.90  3.04  1.86
assign (resid  19 and name HB    )
       (resid  52 and name HA    )   4.90  3.04  0.10
assign (resid  19 and name HB    )
       (resid  52 and name HB    )   4.90  3.04  0.10
assign (resid  19 and name HB    )
       (resid  52 and name HG2+  )   4.90  3.04  1.86
assign (resid  19 and name HG2+  )
       (resid  18 and name HA    )   4.90  3.04  1.86
assign (resid  19 and name HG2+  )
       (resid  19 and name HA    )   4.90  3.04  1.86
assign (resid  19 and name HG2+  )
       (resid  20 and name HB+   )   4.90  3.04  3.63
assign (resid  19 and name HG2+  )
       (resid  51 and name HB+   )   4.90  3.04  3.63
assign (resid  19 and name HG2+  )
       (resid  52 and name HA    )   4.90  3.04  1.86
assign (resid  19 and name HG2+  )
       (resid  82 and name HB+   )   4.90  3.04  3.63
assign (resid  19 and name HN    )
       (resid  18 and name HB+   )   4.90  3.04  1.86
assign (resid  19 and name HN    )
       (resid  18 and name HD++  )   4.90  3.04  4.76
assign (resid  19 and name HN    )
       (resid  18 and name HG    )   4.90  3.04  0.10
assign (resid  19 and name HN    )
       (resid  18 and name HN    )   4.90  3.04  0.10
assign (resid  19 and name HN    )
       (resid  19 and name HA    )   4.90  3.04  0.10
assign (resid  19 and name HN    )
       (resid  19 and name HB    )   4.90  3.04  0.10
assign (resid  19 and name HN    )
       (resid  19 and name HG2+  )   4.90  3.04  1.86
assign (resid  19 and name HN    )
       (resid  20 and name HB+   )   4.90  3.04  1.86
assign (resid  19 and name HN    )
       (resid  20 and name HN    )   4.90  3.04  0.10
assign (resid  19 and name HN    )
       (resid  21 and name HD++  )   4.90  3.04  4.76
assign (resid  19 and name HN    )
       (resid  82 and name HA    )   4.90  3.04  0.10
assign (resid  19 and name HN    )
       (resid  82 and name HB+   )   4.90  3.04  0.10
assign (resid  19 and name HN    )
       (resid  82 and name HB+   )   4.90  3.04  0.10
assign (resid  19 and name HN    )
       (resid  82 and name HG+   )   4.90  3.04  1.86
assign (resid  19 and name HN    )
       (resid  82 and name HN    )   4.90  3.04  0.10
assign (resid  19 and name HN    )
       (resid  83 and name HA    )   4.90  3.04  0.10
assign (resid  20 and name HB+   )
       (resid  19 and name HB    )   4.90  3.04  1.86
assign (resid  20 and name HB+   )
       (resid  20 and name HA    )   4.90  3.04  1.86
assign (resid  20 and name HB+   )
       (resid  21 and name HB+   )   4.90  3.04  3.63
assign (resid  20 and name HB+   )
       (resid  82 and name HB+   )   4.90  3.04  3.63
assign (resid  20 and name HD2+  )
       (resid  20 and name HA    )   4.90  3.04  1.86
assign (resid  20 and name HD2+  )
       (resid  20 and name HB+   )   4.90  3.04  3.63
assign (resid  20 and name HD2+  )
       (resid  79 and name HA    )   4.90  3.04  1.86
assign (resid  20 and name HD2+  )
       (resid  80 and name HB+   )   4.90  3.04  3.63
assign (resid  20 and name HD2+  )
       (resid  81 and name HA    )   4.90  3.04  1.86
assign (resid  20 and name HD2+  )
       (resid  81 and name HB+   )   4.90  3.04  3.63
assign (resid  20 and name HN    )
       (resid  18 and name HD++  )   4.90  3.04  4.76
assign (resid  20 and name HN    )
       (resid  19 and name HA    )   4.90  3.04  0.10
assign (resid  20 and name HN    )
       (resid  19 and name HB    )   4.90  3.04  0.10
assign (resid  20 and name HN    )
       (resid  19 and name HG2+  )   4.90  3.04  1.86
assign (resid  20 and name HN    )
       (resid  20 and name HA    )   4.90  3.04  0.10
assign (resid  20 and name HN    )
       (resid  20 and name HB+   )   4.90  3.04  1.86
assign (resid  20 and name HN    )
       (resid  21 and name HB+   )   4.90  3.04  1.86
assign (resid  20 and name HN    )
       (resid  21 and name HN    )   4.90  3.04  0.10
assign (resid  20 and name HN    )
       (resid  51 and name HB+   )   4.90  3.04  1.86
assign (resid  20 and name HN    )
       (resid  52 and name HA    )   4.90  3.04  0.10
assign (resid  20 and name HN    )
       (resid  52 and name HG2+  )   4.90  3.04  1.86
assign (resid  21 and name HA    )
       (resid  20 and name HB+   )   4.90  3.04  1.86
assign (resid  21 and name HA    )
       (resid  22 and name HB+   )   4.90  3.04  1.86
assign (resid  21 and name HA    )
       (resid  22 and name HD+   )   4.90  3.04  0.10
assign (resid  21 and name HA    )
       (resid  22 and name HD+   )   4.90  3.04  0.10
assign (resid  21 and name HA    )
       (resid  51 and name HB+   )   4.90  3.04  1.86
assign (resid  21 and name HB+   )
       (resid  21 and name HA    )   4.90  3.04  1.86
assign (resid  21 and name HB+   )
       (resid  21 and name HD++  )   4.90  3.04  6.52
assign (resid  21 and name HB+   )
       (resid  21 and name HG    )   4.90  3.04  1.86
assign (resid  21 and name HB+   )
       (resid  22 and name HD+   )   4.90  3.04  3.63
assign (resid  21 and name HB+   )
       (resid  51 and name HA    )   4.90  3.04  1.86
assign (resid  21 and name HB+   )
       (resid  53 and name HB+   )   4.90  3.04  3.62
assign (resid  21 and name HB+   )
       (resid  75 and name HD1+  )   4.90  3.04  1.86
assign (resid  21 and name HB+   )
       (resid  75 and name HG2+  )   4.90  3.04  3.62
assign (resid  21 and name HD++  )
       (resid  18 and name HA    )   4.90  3.04  3.62
assign (resid  21 and name HD++  )
       (resid  18 and name HA    )   4.90  3.04  3.62
assign (resid  21 and name HD++  )
       (resid  18 and name HB+   )   4.90  3.04  6.10
assign (resid  21 and name HD++  )
       (resid  19 and name HA    )   4.90  3.04  4.76
assign (resid  21 and name HD++  )
       (resid  19 and name HB    )   4.90  3.04  4.76
assign (resid  21 and name HD++  )
       (resid  21 and name HA    )   4.90  3.04  4.76
assign (resid  21 and name HD++  )
       (resid  21 and name HG    )   4.90  3.04  4.76
assign (resid  21 and name HD++  )
       (resid  22 and name HA    )   4.90  3.04  4.76
assign (resid  21 and name HD++  )
       (resid  22 and name HB+   )   4.90  3.04  6.52
assign (resid  21 and name HD++  )
       (resid  22 and name HD+   )   4.90  3.04  6.52
assign (resid  21 and name HD++  )
       (resid  22 and name HG+   )   4.90  3.04  6.52
assign (resid  21 and name HD++  )
       (resid  51 and name HA    )   4.90  3.04  1.86
assign (resid  21 and name HD++  )
       (resid  51 and name HB+   )   4.90  3.04  6.52
assign (resid  21 and name HD++  )
       (resid  52 and name HA    )   4.90  3.04  3.62
assign (resid  21 and name HD++  )
       (resid  53 and name HB+   )   4.90  3.04  3.62
assign (resid  21 and name HD++  )
       (resid  53 and name HB+   )   4.90  3.04  3.62
assign (resid  21 and name HD++  )
       (resid  70 and name HD++  )   4.90  3.04  9.42
assign (resid  21 and name HG    )
       (resid  21 and name HA    )   4.90  3.04  0.10
assign (resid  21 and name HN    )
       (resid  19 and name HA    )   4.90  3.04  0.10
assign (resid  21 and name HN    )
       (resid  20 and name HA    )   4.90  3.04  0.10
assign (resid  21 and name HN    )
       (resid  20 and name HB+   )   4.90  3.04  1.86
assign (resid  21 and name HN    )
       (resid  21 and name HA    )   4.90  3.04  0.10
assign (resid  21 and name HN    )
       (resid  21 and name HB+   )   4.90  3.04  1.86
assign (resid  21 and name HN    )
       (resid  21 and name HD++  )   4.90  3.04  4.76
assign (resid  21 and name HN    )
       (resid  21 and name HG    )   4.90  3.04  0.10
assign (resid  21 and name HN    )
       (resid  22 and name HD+   )   4.90  3.04  0.10
assign (resid  21 and name HN    )
       (resid  22 and name HD+   )   4.90  3.04  0.10
assign (resid  21 and name HN    )
       (resid  51 and name HA    )   4.90  3.04  0.10
assign (resid  21 and name HN    )
       (resid  51 and name HB+   )   4.90  3.04  1.86
assign (resid  21 and name HN    )
       (resid  52 and name HA    )   4.90  3.04  0.10
assign (resid  22 and name HA    )
       (resid  21 and name HA    )   4.90  3.04  0.10
assign (resid  22 and name HA    )
       (resid  23 and name HB+   )   4.90  3.04  1.86
assign (resid  22 and name HA    )
       (resid  25 and name HG2+  )   4.90  3.04  1.86
assign (resid  22 and name HB+   )
       (resid  22 and name HA    )   4.90  3.04  1.86
assign (resid  22 and name HB+   )
       (resid  22 and name HD+   )   4.90  3.04  3.63
assign (resid  22 and name HB+   )
       (resid  22 and name HG+   )   4.90  3.04  3.63
assign (resid  22 and name HB+   )
       (resid  23 and name HA    )   4.90  3.04  1.86
assign (resid  22 and name HD+   )
       (resid  22 and name HA    )   4.90  3.04  1.86
assign (resid  22 and name HD+   )
       (resid  25 and name HG2+  )   4.90  3.04  3.63
assign (resid  22 and name HD+   )
       (resid  79 and name HB+   )   4.90  3.04  3.63
assign (resid  22 and name HG+   )
       (resid  21 and name HA    )   4.90  3.04  1.86
assign (resid  22 and name HG+   )
       (resid  22 and name HA    )   4.90  3.04  1.86
assign (resid  22 and name HG+   )
       (resid  22 and name HD+   )   4.90  3.04  3.63
assign (resid  22 and name HG+   )
       (resid  25 and name HG2+  )   4.90  3.04  3.63
assign (resid  22 and name HG+   )
       (resid  75 and name HG2+  )   4.90  3.04  3.63
assign (resid  23 and name HA    )
       (resid  23 and name HG+   )   4.90  3.04  1.86
assign (resid  23 and name HA    )
       (resid  24 and name HB+   )   4.90  3.04  1.86
assign (resid  23 and name HB+   )
       (resid  22 and name HB+   )   4.90  3.04  3.63
assign (resid  23 and name HB+   )
       (resid  23 and name HA    )   4.90  3.04  1.86
assign (resid  23 and name HB+   )
       (resid  23 and name HG+   )   4.90  3.04  3.63
assign (resid  23 and name HB+   )
       (resid  24 and name HB+   )   4.90  3.04  3.63
assign (resid  23 and name HG+   )
       (resid  24 and name HB+   )   4.90  3.04  3.63
assign (resid  23 and name HN    )
       (resid  22 and name HA    )   4.90  3.04  0.10
assign (resid  23 and name HN    )
       (resid  22 and name HB+   )   4.90  3.04  0.10
assign (resid  23 and name HN    )
       (resid  22 and name HB+   )   4.90  3.04  0.10
assign (resid  23 and name HN    )
       (resid  22 and name HD+   )   4.90  3.04  1.86
assign (resid  23 and name HN    )
       (resid  22 and name HG+   )   4.90  3.04  1.86
assign (resid  23 and name HN    )
       (resid  23 and name HA    )   4.90  3.04  0.10
assign (resid  23 and name HN    )
       (resid  23 and name HB+   )   4.90  3.04  1.86
assign (resid  23 and name HN    )
       (resid  23 and name HG+   )   4.90  3.04  1.86
assign (resid  23 and name HN    )
       (resid  24 and name HA    )   4.90  3.04  0.10
assign (resid  23 and name HN    )
       (resid  24 and name HB+   )   4.90  3.04  1.86
assign (resid  23 and name HN    )
       (resid  25 and name HG2+  )   4.90  3.04  1.86
assign (resid  23 and name HN    )
       (resid  25 and name HN    )   4.90  3.04  0.10
assign (resid  23 and name HN    )
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assign (resid  24 and name HA    )
       (resid  23 and name HA    )   4.90  3.04  0.10
assign (resid  24 and name HA    )
       (resid  23 and name HB+   )   4.90  3.04  1.86
assign (resid  24 and name HA    )
       (resid  24 and name HG+   )   4.90  3.04  1.86
assign (resid  24 and name HB+   )
       (resid  24 and name HA    )   4.90  3.04  1.86
assign (resid  24 and name HB+   )
       (resid  24 and name HG+   )   4.90  3.04  3.63
assign (resid  24 and name HN    )
       (resid  22 and name HA    )   4.90  3.04  0.10
assign (resid  24 and name HN    )
       (resid  22 and name HB+   )   4.90  3.04  1.86
assign (resid  24 and name HN    )
       (resid  22 and name HG+   )   4.90  3.04  1.86
assign (resid  24 and name HN    )
       (resid  23 and name HA    )   4.90  3.04  0.10
assign (resid  24 and name HN    )
       (resid  23 and name HB+   )   4.90  3.04  1.86
assign (resid  24 and name HN    )
       (resid  23 and name HG+   )   4.90  3.04  1.86
assign (resid  24 and name HN    )
       (resid  24 and name HA    )   4.90  3.04  0.10
assign (resid  24 and name HN    )
       (resid  24 and name HB+   )   4.90  3.04  1.86
assign (resid  24 and name HN    )
       (resid  24 and name HG+   )   4.90  3.04  1.86
assign (resid  24 and name HN    )
       (resid  25 and name HA    )   4.90  3.04  0.10
assign (resid  24 and name HN    )
       (resid  25 and name HG2+  )   4.90  3.04  1.86
assign (resid  24 and name HN    )
       (resid  25 and name HN    )   4.90  3.04  0.10
assign (resid  25 and name HA    )
       (resid  24 and name HB+   )   4.90  3.04  1.86
assign (resid  25 and name HB    )
       (resid  25 and name HA    )   4.90  3.04  0.10
assign (resid  25 and name HB    )
       (resid  25 and name HG2+  )   4.90  3.04  1.86
assign (resid  25 and name HB    )
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assign (resid  25 and name HB    )
       (resid  50 and name HB+   )   4.90  3.04  0.10
assign (resid  25 and name HG2+  )
       (resid  24 and name HB+   )   4.90  3.04  3.63
assign (resid  25 and name HG2+  )
       (resid  25 and name HA    )   4.90  3.04  1.86
assign (resid  25 and name HG2+  )
       (resid  26 and name HA    )   4.90  3.04  1.86
assign (resid  25 and name HG2+  )
       (resid  50 and name HB+   )   4.90  3.04  3.63
assign (resid  25 and name HN    )
       (resid  22 and name HB+   )   4.90  3.04  1.86
assign (resid  25 and name HN    )
       (resid  23 and name HA    )   4.90  3.04  0.10
assign (resid  25 and name HN    )
       (resid  23 and name HB+   )   4.90  3.04  1.86
assign (resid  25 and name HN    )
       (resid  24 and name HA    )   4.90  3.04  0.10
assign (resid  25 and name HN    )
       (resid  24 and name HB+   )   4.90  3.04  0.10
assign (resid  25 and name HN    )
       (resid  24 and name HB+   )   4.90  3.04  0.10
assign (resid  25 and name HN    )
       (resid  24 and name HG+   )   4.90  3.04  1.86
assign (resid  25 and name HN    )
       (resid  25 and name HA    )   4.90  3.04  0.10
assign (resid  25 and name HN    )
       (resid  25 and name HB    )   4.90  3.04  0.10
assign (resid  25 and name HN    )
       (resid  25 and name HG2+  )   4.90  3.04  1.86
assign (resid  25 and name HN    )
       (resid  45 and name HD++  )   4.90  3.04  4.76
assign (resid  25 and name HN    )
       (resid  50 and name HB+   )   4.90  3.04  0.10
assign (resid  25 and name HN    )
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assign (resid  26 and name HA    )
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assign (resid  26 and name HA    )
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assign (resid  26 and name HB+   )
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assign (resid  26 and name HB+   )
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assign (resid  26 and name HD2+  )
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assign (resid  26 and name HD2+  )
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assign (resid  26 and name HD2+  )
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assign (resid  26 and name HD2+  )
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assign (resid  26 and name HD2+  )
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assign (resid  26 and name HD2+  )
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assign (resid  26 and name HN    )
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assign (resid  26 and name HN    )
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assign (resid  26 and name HN    )
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assign (resid  26 and name HN    )
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assign (resid  26 and name HN    )
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assign (resid  26 and name HN    )
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assign (resid  26 and name HN    )
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assign (resid  26 and name HN    )
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assign (resid  26 and name HN    )
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assign (resid  26 and name HN    )
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assign (resid  26 and name HN    )
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assign (resid  26 and name HN    )
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assign (resid  26 and name HN    )
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assign (resid  26 and name HN    )
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assign (resid  27 and name HA    )
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assign (resid  27 and name HA    )
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assign (resid  27 and name HA    )
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assign (resid  27 and name HA    )
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assign (resid  27 and name HB+   )
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assign (resid  27 and name HB+   )
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assign (resid  27 and name HB+   )
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assign (resid  27 and name HB+   )
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assign (resid  27 and name HB+   )
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assign (resid  27 and name HG+   )
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assign (resid  27 and name HG+   )
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assign (resid  27 and name HG+   )
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assign (resid  27 and name HG+   )
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assign (resid  27 and name HG+   )
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assign (resid  27 and name HN    )
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assign (resid  27 and name HN    )
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assign (resid  27 and name HN    )
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assign (resid  27 and name HN    )
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assign (resid  27 and name HN    )
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assign (resid  27 and name HN    )
       (resid  27 and name HA    )   4.90  3.04  0.10
assign (resid  27 and name HN    )
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assign (resid  27 and name HN    )
       (resid  27 and name HG+   )   4.90  3.04  1.86
assign (resid  27 and name HN    )
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assign (resid  27 and name HN    )
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assign (resid  27 and name HN    )
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assign (resid  27 and name HN    )
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assign (resid  27 and name HN    )
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assign (resid  27 and name HN    )
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assign (resid  27 and name HN    )
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assign (resid  27 and name HN    )
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assign (resid  28 and name HB+   )
       (resid  28 and name HA    )   4.90  3.04  1.86
assign (resid  28 and name HB+   )
       (resid  28 and name HD++  )   4.90  3.04  6.52
assign (resid  28 and name HB+   )
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assign (resid  28 and name HD++  )
       (resid  27 and name HG+   )   4.90  3.04  6.52
assign (resid  28 and name HD++  )
       (resid  28 and name HA    )   4.90  3.04  4.76
assign (resid  28 and name HD++  )
       (resid  29 and name HB+   )   4.90  3.04  6.52
assign (resid  28 and name HD++  )
       (resid  29 and name HG+   )   4.90  3.04  6.52
assign (resid  28 and name HD++  )
       (resid  30 and name HB+   )   4.90  3.04  6.52
assign (resid  28 and name HD++  )
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assign (resid  28 and name HG    )
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assign (resid  28 and name HG    )
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assign (resid  28 and name HG    )
       (resid  29 and name HB+   )   4.90  3.04  1.86
assign (resid  28 and name HG    )
       (resid  29 and name HG+   )   4.90  3.04  1.86
assign (resid  28 and name HN    )
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assign (resid  28 and name HN    )
       (resid  26 and name HB+   )   4.90  3.04  0.10
assign (resid  28 and name HN    )
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assign (resid  28 and name HN    )
       (resid  27 and name HA    )   4.90  3.04  0.10
assign (resid  28 and name HN    )
       (resid  27 and name HB+   )   4.90  3.04  1.86
assign (resid  28 and name HN    )
       (resid  27 and name HG+   )   4.90  3.04  1.86
assign (resid  28 and name HN    )
       (resid  28 and name HA    )   4.90  3.04  0.10
assign (resid  28 and name HN    )
       (resid  28 and name HB+   )   4.90  3.04  1.86
assign (resid  28 and name HN    )
       (resid  28 and name HD++  )   4.90  3.04  4.76
assign (resid  28 and name HN    )
       (resid  28 and name HG    )   4.90  3.04  0.10
assign (resid  28 and name HN    )
       (resid  29 and name HA    )   4.90  3.04  0.10
assign (resid  28 and name HN    )
       (resid  29 and name HB+   )   4.90  3.04  1.86
assign (resid  28 and name HN    )
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assign (resid  29 and name HA    )
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assign (resid  29 and name HA    )
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assign (resid  29 and name HB+   )
       (resid  29 and name HA    )   4.90  3.04  1.86
assign (resid  29 and name HB+   )
       (resid  29 and name HG+   )   4.90  3.04  3.63
assign (resid  29 and name HB+   )
       (resid  30 and name HD++  )   4.90  3.04  6.52
assign (resid  29 and name HB+   )
       (resid  30 and name HG    )   4.90  3.04  1.86
assign (resid  29 and name HB+   )
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assign (resid  29 and name HB+   )
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assign (resid  29 and name HG+   )
       (resid  29 and name HA    )   4.90  3.04  1.86
assign (resid  29 and name HN    )
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assign (resid  29 and name HN    )
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assign (resid  29 and name HN    )
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assign (resid  29 and name HN    )
       (resid  28 and name HB+   )   4.90  3.04  1.86
assign (resid  29 and name HN    )
       (resid  28 and name HD++  )   4.90  3.04  4.76
assign (resid  29 and name HN    )
       (resid  28 and name HG    )   4.90  3.04  0.10
assign (resid  29 and name HN    )
       (resid  29 and name HA    )   4.90  3.04  0.10
assign (resid  29 and name HN    )
       (resid  29 and name HB+   )   4.90  3.04  1.86
assign (resid  29 and name HN    )
       (resid  29 and name HG+   )   4.90  3.04  1.86
assign (resid  29 and name HN    )
       (resid  30 and name HB+   )   4.90  3.04  1.86
assign (resid  29 and name HN    )
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assign (resid  30 and name HA    )
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assign (resid  30 and name HA    )
       (resid  30 and name HG    )   4.90  3.04  0.10
assign (resid  30 and name HA    )
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assign (resid  30 and name HA    )
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assign (resid  30 and name HA    )
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assign (resid  30 and name HB+   )
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assign (resid  30 and name HB+   )
       (resid  30 and name HA    )   4.90  3.04  1.86
assign (resid  30 and name HB+   )
       (resid  33 and name HB+   )   4.90  3.04  3.63
assign (resid  30 and name HB+   )
       (resid  45 and name HD++  )   4.90  3.04  6.52
assign (resid  30 and name HD++  )
       (resid  27 and name HA    )   4.90  3.04  4.76
assign (resid  30 and name HD++  )
       (resid  27 and name HG+   )   4.90  3.04  6.52
assign (resid  30 and name HD++  )
       (resid  28 and name HA    )   4.90  3.04  4.76
assign (resid  30 and name HD++  )
       (resid  29 and name HG+   )   4.90  3.04  6.52
assign (resid  30 and name HD++  )
       (resid  30 and name HA    )   4.90  3.04  4.76
assign (resid  30 and name HD++  )
       (resid  30 and name HB+   )   4.90  3.04  6.52
assign (resid  30 and name HD++  )
       (resid  30 and name HG    )   4.90  3.04  4.76
assign (resid  30 and name HD++  )
       (resid  33 and name HB+   )   4.90  3.04  6.52
assign (resid  30 and name HD++  )
       (resid  34 and name HA    )   4.90  3.04  4.76
assign (resid  30 and name HD++  )
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assign (resid  30 and name HD++  )
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assign (resid  30 and name HD++  )
       (resid  53 and name HB+   )   4.90  3.04  4.76
assign (resid  30 and name HD++  )
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assign (resid  30 and name HD++  )
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assign (resid  30 and name HD++  )
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assign (resid  30 and name HD++  )
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assign (resid  30 and name HD++  )
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assign (resid  30 and name HG    )
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assign (resid  30 and name HG    )
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assign (resid  30 and name HN    )
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assign (resid  30 and name HN    )
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assign (resid  30 and name HN    )
       (resid  28 and name HD++  )   4.90  3.04  4.76
assign (resid  30 and name HN    )
       (resid  28 and name HN    )   4.90  3.04  0.10
assign (resid  30 and name HN    )
       (resid  29 and name HA    )   4.90  3.04  0.10
assign (resid  30 and name HN    )
       (resid  29 and name HB+   )   4.90  3.04  1.86
assign (resid  30 and name HN    )
       (resid  29 and name HG+   )   4.90  3.04  1.86
assign (resid  30 and name HN    )
       (resid  29 and name HN    )   4.90  3.04  0.10
assign (resid  30 and name HN    )
       (resid  30 and name HA    )   4.90  3.04  0.10
assign (resid  30 and name HN    )
       (resid  30 and name HB+   )   4.90  3.04  1.86
assign (resid  30 and name HN    )
       (resid  30 and name HD++  )   4.90  3.04  4.76
assign (resid  30 and name HN    )
       (resid  30 and name HG    )   4.90  3.04  0.10
assign (resid  30 and name HN    )
       (resid  31 and name HN    )   4.90  3.04  0.10
assign (resid  30 and name HN    )
       (resid  32 and name HN    )   4.90  3.04  0.10
assign (resid  30 and name HN    )
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assign (resid  30 and name HN    )
       (resid  33 and name HD++  )   4.90  3.04  4.76
assign (resid  30 and name HN    )
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assign (resid  30 and name HN    )
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assign (resid  31 and name HA    )
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assign (resid  31 and name HA    )
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assign (resid  31 and name HA    )
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assign (resid  31 and name HA    )
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assign (resid  31 and name HA    )
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assign (resid  31 and name HA    )
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assign (resid  31 and name HB+   )
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assign (resid  31 and name HB+   )
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assign (resid  31 and name HB+   )
       (resid  28 and name HD++  )   4.90  3.04  6.52
assign (resid  31 and name HB+   )
       (resid  29 and name HA    )   4.90  3.04  1.86
assign (resid  31 and name HB+   )
       (resid  29 and name HB+   )   4.90  3.04  3.63
assign (resid  31 and name HB+   )
       (resid  30 and name HB+   )   4.90  3.04  3.63
assign (resid  31 and name HB+   )
       (resid  31 and name HA    )   4.90  3.04  1.86
assign (resid  31 and name HB+   )
       (resid  32 and name HA    )   4.90  3.04  1.86
assign (resid  31 and name HB+   )
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assign (resid  31 and name HB+   )
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assign (resid  31 and name HN    )
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assign (resid  31 and name HN    )
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assign (resid  31 and name HN    )
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assign (resid  31 and name HN    )
       (resid  28 and name HN    )   4.90  3.04  0.10
assign (resid  31 and name HN    )
       (resid  29 and name HA    )   4.90  3.04  0.10
assign (resid  31 and name HN    )
       (resid  29 and name HB+   )   4.90  3.04  1.86
assign (resid  31 and name HN    )
       (resid  29 and name HG+   )   4.90  3.04  1.86
assign (resid  31 and name HN    )
       (resid  30 and name HB+   )   4.90  3.04  0.10
assign (resid  31 and name HN    )
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assign (resid  31 and name HN    )
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assign (resid  31 and name HN    )
       (resid  30 and name HG    )   4.90  3.04  0.10
assign (resid  31 and name HN    )
       (resid  31 and name HA    )   4.90  3.04  0.10
assign (resid  31 and name HN    )
       (resid  31 and name HB+   )   4.90  3.04  1.86
assign (resid  31 and name HN    )
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assign (resid  31 and name HN    )
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assign (resid  31 and name HN    )
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assign (resid  32 and name HA    )
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assign (resid  32 and name HA    )
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assign (resid  32 and name HG+   )
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assign (resid  32 and name HG+   )
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assign (resid  32 and name HG+   )
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assign (resid  32 and name HG+   )
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assign (resid  32 and name HG+   )
       (resid  32 and name HA    )   4.90  3.04  1.86
assign (resid  32 and name HG+   )
       (resid  32 and name HB+   )   4.90  3.04  3.63
assign (resid  32 and name HG+   )
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assign (resid  32 and name HG+   )
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assign (resid  32 and name HN    )
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assign (resid  32 and name HN    )
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assign (resid  32 and name HN    )
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assign (resid  32 and name HN    )
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assign (resid  32 and name HN    )
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assign (resid  32 and name HN    )
       (resid  31 and name HA    )   4.90  3.04  0.10
assign (resid  32 and name HN    )
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assign (resid  32 and name HN    )
       (resid  31 and name HN    )   4.90  3.04  0.10
assign (resid  32 and name HN    )
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assign (resid  32 and name HN    )
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assign (resid  32 and name HN    )
       (resid  33 and name HB+   )   4.90  3.04  1.86
assign (resid  32 and name HN    )
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assign (resid  33 and name HA    )
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assign (resid  33 and name HA    )
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assign (resid  33 and name HB+   )
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assign (resid  33 and name HB+   )
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assign (resid  33 and name HB+   )
       (resid  32 and name HA    )   4.90  3.04  1.86
assign (resid  33 and name HB+   )
       (resid  33 and name HA    )   4.90  3.04  1.86
assign (resid  33 and name HB+   )
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assign (resid  33 and name HB+   )
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assign (resid  33 and name HB+   )
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assign (resid  33 and name HB+   )
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assign (resid  33 and name HD++  )
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assign (resid  33 and name HD++  )
       (resid  29 and name HB+   )   4.90  3.04  6.52
assign (resid  33 and name HD++  )
       (resid  29 and name HG+   )   4.90  3.04  6.52
assign (resid  33 and name HD++  )
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assign (resid  33 and name HD++  )
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assign (resid  33 and name HD++  )
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assign (resid  33 and name HD++  )
       (resid  30 and name HG    )   4.90  3.04  4.76
assign (resid  33 and name HD++  )
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assign (resid  33 and name HD++  )
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assign (resid  33 and name HD++  )
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assign (resid  33 and name HD++  )
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assign (resid  33 and name HD++  )
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assign (resid  33 and name HD++  )
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assign (resid  33 and name HD++  )
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assign (resid  33 and name HD++  )
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assign (resid  33 and name HD++  )
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assign (resid  33 and name HD++  )
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assign (resid  33 and name HD++  )
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assign (resid  33 and name HD++  )
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assign (resid  33 and name HG    )
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assign (resid  33 and name HN    )
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assign (resid  33 and name HN    )
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assign (resid  33 and name HN    )
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assign (resid  33 and name HN    )
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assign (resid  33 and name HN    )
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assign (resid  33 and name HN    )
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assign (resid  33 and name HN    )
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assign (resid  33 and name HN    )
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assign (resid  33 and name HN    )
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assign (resid  33 and name HN    )
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assign (resid  33 and name HN    )
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assign (resid  33 and name HN    )
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assign (resid  33 and name HN    )
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assign (resid  33 and name HN    )
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assign (resid  33 and name HN    )
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assign (resid  33 and name HN    )
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assign (resid  33 and name HN    )
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assign (resid  34 and name HA    )
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assign (resid  34 and name HB+   )
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assign (resid  34 and name HB+   )
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assign (resid  34 and name HB+   )
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assign (resid  34 and name HD+   )
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assign (resid  34 and name HD+   )
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assign (resid  34 and name HE+   )
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assign (resid  34 and name HE+   )
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assign (resid  34 and name HE+   )
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assign (resid  34 and name HE+   )
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assign (resid  34 and name HE+   )
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assign (resid  34 and name HE+   )
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assign (resid  34 and name HE+   )
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assign (resid  34 and name HE+   )
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assign (resid  34 and name HE+   )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HN    )
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assign (resid  34 and name HZ    )
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assign (resid  34 and name HZ    )
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assign (resid  34 and name HZ    )
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assign (resid  34 and name HZ    )
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assign (resid  35 and name HA    )
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assign (resid  35 and name HA    )
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assign (resid  35 and name HA    )
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assign (resid  35 and name HB+   )
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assign (resid  35 and name HB+   )
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assign (resid  35 and name HB+   )
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assign (resid  35 and name HB+   )
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assign (resid  35 and name HB+   )
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assign (resid  35 and name HD2+  )
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assign (resid  35 and name HD2+  )
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assign (resid  35 and name HN    )
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assign (resid  35 and name HN    )
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assign (resid  35 and name HN    )
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assign (resid  35 and name HN    )
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assign (resid  35 and name HN    )
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assign (resid  35 and name HN    )
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assign (resid  35 and name HN    )
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assign (resid  35 and name HN    )
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assign (resid  35 and name HN    )
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assign (resid  35 and name HN    )
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assign (resid  35 and name HN    )
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assign (resid  35 and name HN    )
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assign (resid  35 and name HN    )
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assign (resid  35 and name HN    )
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assign (resid  35 and name HN    )
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assign (resid  35 and name HN    )
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assign (resid  36 and name HA    )
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assign (resid  36 and name HB+   )
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assign (resid  36 and name HB+   )
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assign (resid  36 and name HB+   )
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assign (resid  36 and name HE2+  )
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assign (resid  36 and name HE2+  )
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assign (resid  36 and name HE2+  )
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assign (resid  36 and name HE2+  )
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assign (resid  36 and name HE2+  )
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assign (resid  36 and name HN    )
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assign (resid  36 and name HN    )
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assign (resid  36 and name HN    )
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assign (resid  36 and name HN    )
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assign (resid  36 and name HN    )
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assign (resid  36 and name HN    )
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assign (resid  36 and name HN    )
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assign (resid  36 and name HN    )
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assign (resid  36 and name HN    )
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assign (resid  36 and name HN    )
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assign (resid  36 and name HN    )
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assign (resid  36 and name HN    )
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assign (resid  36 and name HN    )
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assign (resid  37 and name HB+   )
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assign (resid  37 and name HB+   )
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assign (resid  37 and name HB+   )
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assign (resid  37 and name HB+   )
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assign (resid  37 and name HB+   )
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assign (resid  37 and name HB+   )
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assign (resid  37 and name HB+   )
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assign (resid  37 and name HD+   )
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assign (resid  37 and name HD+   )
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assign (resid  37 and name HD+   )
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assign (resid  37 and name HD+   )
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assign (resid  37 and name HD+   )
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assign (resid  37 and name HD+   )
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assign (resid  37 and name HD+   )
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assign (resid  37 and name HE+   )
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assign (resid  37 and name HE+   )
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assign (resid  37 and name HE+   )
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assign (resid  37 and name HE+   )
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assign (resid  37 and name HN    )
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assign (resid  37 and name HN    )
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assign (resid  37 and name HN    )
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assign (resid  37 and name HN    )
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assign (resid  37 and name HN    )
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assign (resid  37 and name HN    )
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assign (resid  37 and name HN    )
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assign (resid  37 and name HN    )
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assign (resid  37 and name HN    )
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assign (resid  37 and name HN    )
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assign (resid  37 and name HN    )
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assign (resid  37 and name HN    )
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assign (resid  37 and name HN    )
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assign (resid  37 and name HN    )
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assign (resid  37 and name HZ    )
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assign (resid  37 and name HZ    )
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assign (resid  38 and name HA    )
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assign (resid  38 and name HA    )
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assign (resid  38 and name HA    )
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assign (resid  39 and name HN    )
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assign (resid  39 and name HN    )
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assign (resid  39 and name HN    )
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assign (resid  39 and name HN    )
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assign (resid  39 and name HN    )
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assign (resid   3 and name HB+   )
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assign (resid   3 and name HD+   )
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assign (resid   3 and name HD+   )
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assign (resid   3 and name HG+   )
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assign (resid  40 and name HA    )
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assign (resid  40 and name HA    )
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assign (resid  40 and name HA    )
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assign (resid  40 and name HA    )
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assign (resid  40 and name HB+   )
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assign (resid  40 and name HB+   )
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assign (resid  40 and name HB+   )
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assign (resid  40 and name HB+   )
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assign (resid  40 and name HD+   )
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assign (resid  40 and name HD+   )
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assign (resid  40 and name HD+   )
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assign (resid  40 and name HD+   )
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assign (resid  40 and name HD+   )
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assign (resid  40 and name HD+   )
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assign (resid  40 and name HD+   )
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assign (resid  40 and name HD+   )
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assign (resid  40 and name HD+   )
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assign (resid  40 and name HE+   )
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assign (resid  40 and name HE+   )
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assign (resid  40 and name HE+   )
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assign (resid  40 and name HE+   )
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assign (resid  40 and name HN    )
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assign (resid  40 and name HN    )
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assign (resid  40 and name HN    )
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assign (resid  40 and name HN    )
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assign (resid  40 and name HN    )
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assign (resid  40 and name HN    )
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assign (resid  40 and name HN    )
       (resid  40 and name HA    )   4.90  3.04  0.10
assign (resid  40 and name HN    )
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assign (resid  40 and name HN    )
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assign (resid  40 and name HN    )
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assign (resid  40 and name HN    )
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assign (resid  40 and name HN    )
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assign (resid  40 and name HN    )
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assign (resid  40 and name HN    )
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assign (resid  40 and name HZ    )
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assign (resid  40 and name HZ    )
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assign (resid  40 and name HZ    )
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assign (resid  40 and name HZ    )
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assign (resid  41 and name HA    )
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assign (resid  41 and name HA    )
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assign (resid  41 and name HB+   )
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assign (resid  41 and name HB+   )
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assign (resid  41 and name HB+   )
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assign (resid  41 and name HB+   )
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assign (resid  41 and name HB+   )
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assign (resid  41 and name HD+   )
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assign (resid  41 and name HD+   )
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assign (resid  41 and name HD+   )
       (resid  41 and name HG+   )   4.90  3.04  3.63
assign (resid  41 and name HD+   )
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assign (resid  41 and name HD+   )
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assign (resid  41 and name HD+   )
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assign (resid  41 and name HE+   )
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assign (resid  41 and name HE+   )
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assign (resid  41 and name HE+   )
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assign (resid  41 and name HE+   )
       (resid  41 and name HG+   )   4.90  3.04  3.63
assign (resid  41 and name HE+   )
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assign (resid  41 and name HE+   )
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assign (resid  41 and name HG+   )
       (resid  41 and name HA    )   4.90  3.04  1.86
assign (resid  41 and name HG+   )
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assign (resid  41 and name HG+   )
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assign (resid  41 and name HG+   )
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assign (resid  41 and name HG+   )
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assign (resid  41 and name HN    )
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assign (resid  41 and name HN    )
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assign (resid  41 and name HN    )
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assign (resid  41 and name HN    )
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assign (resid  41 and name HN    )
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assign (resid  41 and name HN    )
       (resid  40 and name HD+   )   4.90  3.04  4.40
assign (resid  41 and name HN    )
       (resid  41 and name HA    )   4.90  3.04  0.10
assign (resid  41 and name HN    )
       (resid  41 and name HB+   )   4.90  3.04  1.86
assign (resid  41 and name HN    )
       (resid  41 and name HD+   )   4.90  3.04  1.86
assign (resid  41 and name HN    )
       (resid  41 and name HG+   )   4.90  3.04  1.86
assign (resid  41 and name HN    )
       (resid  42 and name HB+   )   4.90  3.04  1.86
assign (resid  41 and name HN    )
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assign (resid  41 and name HN    )
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assign (resid  41 and name HN    )
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assign (resid  41 and name HN    )
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assign (resid  42 and name HA    )
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assign (resid  42 and name HA    )
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assign (resid  42 and name HN    )
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assign (resid  42 and name HN    )
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assign (resid  42 and name HN    )
       (resid  41 and name HA    )   4.90  3.04  0.10
assign (resid  42 and name HN    )
       (resid  41 and name HB+   )   4.90  3.04  1.86
assign (resid  42 and name HN    )
       (resid  41 and name HD+   )   4.90  3.04  1.86
assign (resid  42 and name HN    )
       (resid  41 and name HE+   )   4.90  3.04  1.86
assign (resid  42 and name HN    )
       (resid  41 and name HG+   )   4.90  3.04  1.86
assign (resid  42 and name HN    )
       (resid  41 and name HN    )   4.90  3.04  0.10
assign (resid  42 and name HN    )
       (resid  42 and name HA    )   4.90  3.04  0.10
assign (resid  42 and name HN    )
       (resid  42 and name HB+   )   4.90  3.04  1.86
assign (resid  42 and name HN    )
       (resid  42 and name HG+   )   4.90  3.04  1.86
assign (resid  42 and name HN    )
       (resid  43 and name HA    )   4.90  3.04  0.10
assign (resid  42 and name HN    )
       (resid  43 and name HG++  )   4.90  3.04  4.76
assign (resid  42 and name HN    )
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assign (resid  42 and name HN    )
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assign (resid  42 and name HN    )
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assign (resid  42 and name HN    )
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assign (resid  42 and name HN    )
       (resid  56 and name HB+   )   4.90  3.04  1.86
assign (resid  42 and name HN    )
       (resid  56 and name HG+   )   4.90  3.04  1.86
assign (resid  42 and name HN    )
       (resid  56 and name HN    )   4.90  3.04  0.10
assign (resid  42 and name HN    )
       (resid  57 and name HA    )   4.90  3.04  0.10
assign (resid  42 and name HN    )
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assign (resid  43 and name HB    )
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assign (resid  43 and name HB    )
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assign (resid  43 and name HB    )
       (resid  43 and name HA    )   4.90  3.04  0.10
assign (resid  43 and name HB    )
       (resid  43 and name HG++  )   4.90  3.04  4.76
assign (resid  43 and name HB    )
       (resid  44 and name HA    )   4.90  3.04  0.10
assign (resid  43 and name HB    )
       (resid  44 and name HB+   )   4.90  3.04  1.86
assign (resid  43 and name HB    )
       (resid  55 and name HA    )   4.90  3.04  0.10
assign (resid  43 and name HB    )
       (resid  55 and name HG++  )   4.90  3.04  4.76
assign (resid  43 and name HG++  )
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assign (resid  43 and name HG++  )
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assign (resid  43 and name HG++  )
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assign (resid  43 and name HG++  )
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assign (resid  43 and name HG++  )
       (resid  34 and name HB+   )   4.90  3.04  6.52
assign (resid  43 and name HG++  )
       (resid  42 and name HA    )   4.90  3.04  4.76
assign (resid  43 and name HG++  )
       (resid  43 and name HA    )   4.90  3.04  4.76
assign (resid  43 and name HG++  )
       (resid  44 and name HA    )   4.90  3.04  4.76
assign (resid  43 and name HG++  )
       (resid  44 and name HB+   )   4.90  3.04  6.52
assign (resid  43 and name HG++  )
       (resid  45 and name HD++  )   4.90  3.04  9.42
assign (resid  43 and name HG++  )
       (resid  55 and name HA    )   4.90  3.04  4.76
assign (resid  43 and name HG++  )
       (resid  56 and name HB+   )   4.90  3.04  6.52
assign (resid  43 and name HG++  )
       (resid  56 and name HG+   )   4.90  3.04  6.52
assign (resid  43 and name HG++  )
       (resid  57 and name HD+   )   4.90  3.04  9.22
assign (resid  43 and name HN    )
       (resid  42 and name HA    )   4.90  3.04  0.10
assign (resid  43 and name HN    )
       (resid  42 and name HB+   )   4.90  3.04  1.86
assign (resid  43 and name HN    )
       (resid  42 and name HG+   )   4.90  3.04  1.86
assign (resid  43 and name HN    )
       (resid  43 and name HA    )   4.90  3.04  0.10
assign (resid  43 and name HN    )
       (resid  43 and name HB    )   4.90  3.04  0.10
assign (resid  43 and name HN    )
       (resid  43 and name HG++  )   4.90  3.04  4.76
assign (resid  43 and name HN    )
       (resid  44 and name HN    )   4.90  3.04  0.10
assign (resid  43 and name HN    )
       (resid  55 and name HA    )   4.90  3.04  0.10
assign (resid  43 and name HN    )
       (resid  56 and name HB+   )   4.90  3.04  1.86
assign (resid  44 and name HB+   )
       (resid  43 and name HA    )   4.90  3.04  1.86
assign (resid  44 and name HB+   )
       (resid  44 and name HA    )   4.90  3.04  1.86
assign (resid  44 and name HB+   )
       (resid  44 and name HD+   )   4.90  3.04  3.63
assign (resid  44 and name HB+   )
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assign (resid  44 and name HD+   )
       (resid  44 and name HA    )   4.90  3.04  1.86
assign (resid  44 and name HG+   )
       (resid  43 and name HA    )   4.90  3.04  1.86
assign (resid  44 and name HG+   )
       (resid  44 and name HA    )   4.90  3.04  1.86
assign (resid  44 and name HG+   )
       (resid  44 and name HB+   )   4.90  3.04  3.63
assign (resid  44 and name HG+   )
       (resid  44 and name HD+   )   4.90  3.04  3.63
assign (resid  44 and name HG+   )
       (resid  45 and name HB+   )   4.90  3.04  3.63
assign (resid  44 and name HH++  )
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assign (resid  44 and name HH++  )
       (resid  44 and name HA    )   4.90  3.04  4.76
assign (resid  44 and name HH++  )
       (resid  44 and name HB+   )   4.90  3.04  6.52
assign (resid  44 and name HH++  )
       (resid  44 and name HD+   )   4.90  3.04  6.52
assign (resid  44 and name HH++  )
       (resid  44 and name HE    )   4.90  3.04  4.76
assign (resid  44 and name HH++  )
       (resid  44 and name HG+   )   4.90  3.04  6.52
assign (resid  44 and name HH++  )
       (resid  45 and name HB+   )   4.90  3.04  6.52
assign (resid  44 and name HN    )
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assign (resid  44 and name HN    )
       (resid  43 and name HA    )   4.90  3.04  0.10
assign (resid  44 and name HN    )
       (resid  43 and name HB    )   4.90  3.04  0.10
assign (resid  44 and name HN    )
       (resid  43 and name HG++  )   4.90  3.04  3.62
assign (resid  44 and name HN    )
       (resid  43 and name HG++  )   4.90  3.04  3.62
assign (resid  44 and name HN    )
       (resid  44 and name HA    )   4.90  3.04  0.10
assign (resid  44 and name HN    )
       (resid  44 and name HB+   )   4.90  3.04  1.86
assign (resid  44 and name HN    )
       (resid  44 and name HD+   )   4.90  3.04  1.86
assign (resid  44 and name HN    )
       (resid  44 and name HE    )   4.90  3.04  0.10
assign (resid  44 and name HN    )
       (resid  44 and name HG+   )   4.90  3.04  1.86
assign (resid  44 and name HN    )
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assign (resid  44 and name HN    )
       (resid  45 and name HD++  )   4.90  3.04  3.62
assign (resid  44 and name HN    )
       (resid  45 and name HD++  )   4.90  3.04  3.62
assign (resid  44 and name HN    )
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assign (resid  44 and name HN    )
       (resid  53 and name HB+   )   4.90  3.04  1.86
assign (resid  44 and name HN    )
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assign (resid  44 and name HN    )
       (resid  54 and name HD+   )   4.90  3.04  4.40
assign (resid  44 and name HN    )
       (resid  55 and name HA    )   4.90  3.04  0.10
assign (resid  44 and name HN    )
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assign (resid  45 and name HA    )
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assign (resid  45 and name HA    )
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assign (resid  45 and name HA    )
       (resid  44 and name HB+   )   4.90  3.04  1.86
assign (resid  45 and name HB+   )
       (resid  45 and name HA    )   4.90  3.04  1.86
assign (resid  45 and name HB+   )
       (resid  45 and name HD++  )   4.90  3.04  6.52
assign (resid  45 and name HD++  )
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assign (resid  45 and name HD++  )
       (resid  25 and name HB    )   4.90  3.04  4.76
assign (resid  45 and name HD++  )
       (resid  43 and name HB    )   4.90  3.04  4.76
assign (resid  45 and name HD++  )
       (resid  44 and name HB+   )   4.90  3.04  6.52
assign (resid  45 and name HD++  )
       (resid  45 and name HA    )   4.90  3.04  4.76
assign (resid  45 and name HD++  )
       (resid  47 and name HB+   )   4.90  3.04  6.52
assign (resid  45 and name HD++  )
       (resid  47 and name HD+   )   4.90  3.04  6.52
assign (resid  45 and name HG    )
       (resid  27 and name HB+   )   4.90  3.04  1.86
assign (resid  45 and name HG    )
       (resid  45 and name HA    )   4.90  3.04  0.10
assign (resid  45 and name HG    )
       (resid  45 and name HD++  )   4.90  3.04  4.76
assign (resid  45 and name HN    )
       (resid  27 and name HG+   )   4.90  3.04  1.86
assign (resid  45 and name HN    )
       (resid  43 and name HG++  )   4.90  3.04  4.76
assign (resid  45 and name HN    )
       (resid  44 and name HA    )   4.90  3.04  0.10
assign (resid  45 and name HN    )
       (resid  44 and name HB+   )   4.90  3.04  1.86
assign (resid  45 and name HN    )
       (resid  44 and name HE    )   4.90  3.04  0.10
assign (resid  45 and name HN    )
       (resid  44 and name HG+   )   4.90  3.04  1.86
assign (resid  45 and name HN    )
       (resid  44 and name HN    )   4.90  3.04  0.10
assign (resid  45 and name HN    )
       (resid  45 and name HA    )   4.90  3.04  0.10
assign (resid  45 and name HN    )
       (resid  45 and name HB+   )   4.90  3.04  1.86
assign (resid  45 and name HN    )
       (resid  45 and name HD++  )   4.90  3.04  4.76
assign (resid  45 and name HN    )
       (resid  45 and name HG    )   4.90  3.04  0.10
assign (resid  45 and name HN    )
       (resid  46 and name HG++  )   4.90  3.04  4.76
assign (resid  45 and name HN    )
       (resid  46 and name HN    )   4.90  3.04  0.10
assign (resid  46 and name HA    )
       (resid  45 and name HB+   )   4.90  3.04  1.86
assign (resid  46 and name HA    )
       (resid  47 and name HG+   )   4.90  3.04  1.86
assign (resid  46 and name HB    )
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assign (resid  46 and name HB    )
       (resid  46 and name HA    )   4.90  3.04  0.10
assign (resid  46 and name HG++  )
       (resid  44 and name HA    )   4.90  3.04  4.76
assign (resid  46 and name HG++  )
       (resid  44 and name HB+   )   4.90  3.04  6.52
assign (resid  46 and name HG++  )
       (resid  44 and name HD+   )   4.90  3.04  6.52
assign (resid  46 and name HG++  )
       (resid  44 and name HG+   )   4.90  3.04  6.52
assign (resid  46 and name HG++  )
       (resid  45 and name HA    )   4.90  3.04  4.76
assign (resid  46 and name HG++  )
       (resid  45 and name HB+   )   4.90  3.04  6.52
assign (resid  46 and name HG++  )
       (resid  45 and name HG    )   4.90  3.04  4.76
assign (resid  46 and name HG++  )
       (resid  46 and name HA    )   4.90  3.04  4.76
assign (resid  46 and name HG++  )
       (resid  46 and name HB    )   4.90  3.04  4.76
assign (resid  46 and name HG++  )
       (resid  47 and name HB+   )   4.90  3.04  6.52
assign (resid  46 and name HG++  )
       (resid  47 and name HD+   )   4.90  3.04  6.52
assign (resid  46 and name HG++  )
       (resid  48 and name HA+   )   4.90  3.04  6.52
assign (resid  46 and name HG++  )
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assign (resid  46 and name HG++  )
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assign (resid  46 and name HG++  )
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assign (resid  46 and name HN    )
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assign (resid  46 and name HN    )
       (resid  44 and name HB+   )   4.90  3.04  1.86
assign (resid  46 and name HN    )
       (resid  45 and name HA    )   4.90  3.04  0.10
assign (resid  46 and name HN    )
       (resid  45 and name HB+   )   4.90  3.04  0.10
assign (resid  46 and name HN    )
       (resid  45 and name HB+   )   4.90  3.04  0.10
assign (resid  46 and name HN    )
       (resid  45 and name HD++  )   4.90  3.04  3.62
assign (resid  46 and name HN    )
       (resid  45 and name HD++  )   4.90  3.04  3.62
assign (resid  46 and name HN    )
       (resid  46 and name HA    )   4.90  3.04  0.10
assign (resid  46 and name HN    )
       (resid  46 and name HB    )   4.90  3.04  0.10
assign (resid  46 and name HN    )
       (resid  46 and name HG++  )   4.90  3.04  4.76
assign (resid  46 and name HN    )
       (resid  47 and name HD+   )   4.90  3.04  0.10
assign (resid  46 and name HN    )
       (resid  47 and name HD+   )   4.90  3.04  0.10
assign (resid  46 and name HN    )
       (resid  47 and name HG+   )   4.90  3.04  1.86
assign (resid  47 and name HA    )
       (resid  46 and name HG++  )   4.90  3.04  4.76
assign (resid  47 and name HA    )
       (resid  47 and name HD+   )   4.90  3.04  1.86
assign (resid  47 and name HA    )
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assign (resid  47 and name HB+   )
       (resid  46 and name HA    )   4.90  3.04  1.86
assign (resid  47 and name HB+   )
       (resid  47 and name HA    )   4.90  3.04  1.86
assign (resid  47 and name HB+   )
       (resid  47 and name HD+   )   4.90  3.04  3.63
assign (resid  47 and name HB+   )
       (resid  47 and name HG+   )   4.90  3.04  3.63
assign (resid  47 and name HB+   )
       (resid  48 and name HA+   )   4.90  3.04  3.63
assign (resid  47 and name HD+   )
       (resid  46 and name HA    )   4.90  3.04  1.86
assign (resid  47 and name HD+   )
       (resid  46 and name HB    )   4.90  3.04  1.86
assign (resid  47 and name HG+   )
       (resid  45 and name HB+   )   4.90  3.04  3.63
assign (resid  47 and name HG+   )
       (resid  46 and name HG++  )   4.90  3.04  6.52
assign (resid  47 and name HG+   )
       (resid  47 and name HA    )   4.90  3.04  1.86
assign (resid  47 and name HG+   )
       (resid  47 and name HD+   )   4.90  3.04  3.63
assign (resid  47 and name HG+   )
       (resid  48 and name HA+   )   4.90  3.04  3.63
assign (resid  48 and name HN    )
       (resid  47 and name HA    )   4.90  3.04  0.10
assign (resid  48 and name HN    )
       (resid  47 and name HB+   )   4.90  3.04  0.10
assign (resid  48 and name HN    )
       (resid  47 and name HB+   )   4.90  3.04  0.10
assign (resid  48 and name HN    )
       (resid  47 and name HD+   )   4.90  3.04  1.86
assign (resid  48 and name HN    )
       (resid  47 and name HG+   )   4.90  3.04  0.10
assign (resid  48 and name HN    )
       (resid  47 and name HG+   )   4.90  3.04  0.10
assign (resid  48 and name HN    )
       (resid  48 and name HA+   )   4.90  3.04  1.86
assign (resid  48 and name HN    )
       (resid  49 and name HG+   )   4.90  3.04  1.86
assign (resid  48 and name HN    )
       (resid  49 and name HN    )   4.90  3.04  -2.40
assign (resid  49 and name HB+   )
       (resid  46 and name HG++  )   4.90  3.04  6.52
assign (resid  49 and name HB+   )
       (resid  49 and name HA    )   4.90  3.04  1.86
assign (resid  49 and name HB+   )
       (resid  49 and name HD+   )   4.90  3.04  3.63
assign (resid  49 and name HB+   )
       (resid  52 and name HD1+  )   4.90  3.04  3.63
assign (resid  49 and name HD+   )
       (resid  49 and name HA    )   4.90  3.04  1.86
assign (resid  49 and name HG+   )
       (resid  49 and name HA    )   4.90  3.04  1.86
assign (resid  49 and name HG+   )
       (resid  49 and name HB+   )   4.90  3.04  3.63
assign (resid  49 and name HG+   )
       (resid  49 and name HD+   )   4.90  3.04  3.63
assign (resid  49 and name HH++  )
       (resid  49 and name HB+   )   4.90  3.04  6.52
assign (resid  49 and name HH++  )
       (resid  49 and name HD+   )   4.90  3.04  6.52
assign (resid  49 and name HH++  )
       (resid  49 and name HE    )   4.90  3.04  4.76
assign (resid  49 and name HH++  )
       (resid  49 and name HG+   )   4.90  3.04  6.52
assign (resid  49 and name HH++  )
       (resid  52 and name HD1+  )   4.90  3.04  6.52
assign (resid  49 and name HH++  )
       (resid  52 and name HG2+  )   4.90  3.04  6.52
assign (resid  49 and name HH++  )
       (resid  52 and name HN    )   4.90  3.04  4.76
assign (resid  49 and name HN    )
       (resid  47 and name HB+   )   4.90  3.04  1.86
assign (resid  49 and name HN    )
       (resid  47 and name HD+   )   4.90  3.04  1.86
assign (resid  49 and name HN    )
       (resid  48 and name HA+   )   4.90  3.04  0.10
assign (resid  49 and name HN    )
       (resid  48 and name HA+   )   4.90  3.04  0.10
assign (resid  49 and name HN    )
       (resid  49 and name HA    )   4.90  3.04  0.10
assign (resid  49 and name HN    )
       (resid  49 and name HB+   )   4.90  3.04  1.86
assign (resid  49 and name HN    )
       (resid  49 and name HD+   )   4.90  3.04  0.10
assign (resid  49 and name HN    )
       (resid  49 and name HD+   )   4.90  3.04  0.10
assign (resid  49 and name HN    )
       (resid  49 and name HE    )   4.90  3.04  0.10
assign (resid  49 and name HN    )
       (resid  49 and name HG+   )   4.90  3.04  1.86
assign (resid  49 and name HN    )
       (resid  50 and name HN    )   4.90  3.04  -1.40
assign (resid  49 and name HN    )
       (resid  51 and name HN    )   4.90  3.04  0.10
assign (resid   4 and name HA    )
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assign (resid  50 and name HA    )
       (resid  45 and name HB+   )   4.90  3.04  1.86
assign (resid  50 and name HA    )
       (resid  45 and name HD++  )   4.90  3.04  4.76
assign (resid  50 and name HA    )
       (resid  47 and name HG+   )   4.90  3.04  1.86
assign (resid  50 and name HA    )
       (resid  49 and name HB+   )   4.90  3.04  0.10
assign (resid  50 and name HA    )
       (resid  49 and name HB+   )   4.90  3.04  0.10
assign (resid  50 and name HA    )
       (resid  50 and name HB+   )   4.90  3.04  1.86
assign (resid  50 and name HA    )
       (resid  51 and name HA    )   4.90  3.04  0.10
assign (resid  50 and name HB+   )
       (resid  23 and name HA    )   4.90  3.04  1.86
assign (resid  50 and name HB+   )
       (resid  23 and name HG+   )   4.90  3.04  3.63
assign (resid  50 and name HB+   )
       (resid  24 and name HA    )   4.90  3.04  1.86
assign (resid  50 and name HB+   )
       (resid  49 and name HB+   )   4.90  3.04  3.63
assign (resid  50 and name HN    )
       (resid  49 and name HA    )   4.90  3.04  0.10
assign (resid  50 and name HN    )
       (resid  49 and name HB+   )   4.90  3.04  0.10
assign (resid  50 and name HN    )
       (resid  49 and name HB+   )   4.90  3.04  0.10
assign (resid  50 and name HN    )
       (resid  49 and name HD+   )   4.90  3.04  1.86
assign (resid  50 and name HN    )
       (resid  49 and name HE    )   4.90  3.04  0.10
assign (resid  50 and name HN    )
       (resid  49 and name HG+   )   4.90  3.04  1.86
assign (resid  50 and name HN    )
       (resid  50 and name HA    )   4.90  3.04  0.10
assign (resid  50 and name HN    )
       (resid  50 and name HB+   )   4.90  3.04  1.86
assign (resid  50 and name HN    )
       (resid  51 and name HA    )   4.90  3.04  0.10
assign (resid  50 and name HN    )
       (resid  51 and name HN    )   4.90  3.04  -2.40
assign (resid  51 and name HA    )
       (resid  51 and name HB+   )   4.90  3.04  1.86
assign (resid  51 and name HB+   )
       (resid  21 and name HB+   )   4.90  3.04  3.63
assign (resid  51 and name HB+   )
       (resid  49 and name HB+   )   4.90  3.04  3.63
assign (resid  51 and name HB+   )
       (resid  52 and name HG2+  )   4.90  3.04  3.63
assign (resid  51 and name HN    )
       (resid  21 and name HD++  )   4.90  3.04  4.76
assign (resid  51 and name HN    )
       (resid  45 and name HA    )   4.90  3.04  0.10
assign (resid  51 and name HN    )
       (resid  45 and name HD++  )   4.90  3.04  4.76
assign (resid  51 and name HN    )
       (resid  49 and name HA    )   4.90  3.04  -1.40
assign (resid  51 and name HN    )
       (resid  49 and name HB+   )   4.90  3.04  0.10
assign (resid  51 and name HN    )
       (resid  49 and name HB+   )   4.90  3.04  0.10
assign (resid  51 and name HN    )
       (resid  49 and name HD+   )   4.90  3.04  1.86
assign (resid  51 and name HN    )
       (resid  49 and name HG+   )   4.90  3.04  1.86
assign (resid  51 and name HN    )
       (resid  50 and name HA    )   4.90  3.04  -1.40
assign (resid  51 and name HN    )
       (resid  50 and name HB+   )   4.90  3.04  0.10
assign (resid  51 and name HN    )
       (resid  50 and name HB+   )   4.90  3.04  0.10
assign (resid  51 and name HN    )
       (resid  51 and name HA    )   4.90  3.04  0.10
assign (resid  51 and name HN    )
       (resid  51 and name HB+   )   4.90  3.04  1.86
assign (resid  51 and name HN    )
       (resid  52 and name HD1+  )   4.90  3.04  1.86
assign (resid  51 and name HN    )
       (resid  52 and name HG2+  )   4.90  3.04  1.86
assign (resid  52 and name HA    )
       (resid  19 and name HA    )   4.90  3.04  0.10
assign (resid  52 and name HA    )
       (resid  52 and name HG2+  )   4.90  3.04  1.86
assign (resid  52 and name HB    )
       (resid  19 and name HA    )   4.90  3.04  0.10
assign (resid  52 and name HB    )
       (resid  19 and name HG2+  )   4.90  3.04  1.86
assign (resid  52 and name HB    )
       (resid  52 and name HA    )   4.90  3.04  0.10
assign (resid  52 and name HB    )
       (resid  53 and name HB+   )   4.90  3.04  1.86
assign (resid  52 and name HD1+  )
       (resid  49 and name HD+   )   4.90  3.04  1.86
assign (resid  52 and name HD1+  )
       (resid  49 and name HD+   )   4.90  3.04  1.86
assign (resid  52 and name HD1+  )
       (resid  49 and name HG+   )   4.90  3.04  3.63
assign (resid  52 and name HD1+  )
       (resid  52 and name HA    )   4.90  3.04  1.86
assign (resid  52 and name HD1+  )
       (resid  52 and name HB    )   4.90  3.04  1.86
assign (resid  52 and name HD1+  )
       (resid  53 and name HA    )   4.90  3.04  1.86
assign (resid  52 and name HG2+  )
       (resid  19 and name HG2+  )   4.90  3.04  3.63
assign (resid  52 and name HG2+  )
       (resid  49 and name HD+   )   4.90  3.04  1.86
assign (resid  52 and name HG2+  )
       (resid  49 and name HD+   )   4.90  3.04  1.86
assign (resid  52 and name HG2+  )
       (resid  49 and name HG+   )   4.90  3.04  3.63
assign (resid  52 and name HG2+  )
       (resid  51 and name HA    )   4.90  3.04  1.86
assign (resid  52 and name HG2+  )
       (resid  52 and name HB    )   4.90  3.04  1.86
assign (resid  52 and name HN    )
       (resid  21 and name HD++  )   4.90  3.04  4.76
assign (resid  52 and name HN    )
       (resid  49 and name HB+   )   4.90  3.04  0.10
assign (resid  52 and name HN    )
       (resid  49 and name HB+   )   4.90  3.04  0.10
assign (resid  52 and name HN    )
       (resid  49 and name HD+   )   4.90  3.04  0.10
assign (resid  52 and name HN    )
       (resid  49 and name HD+   )   4.90  3.04  0.10
assign (resid  52 and name HN    )
       (resid  49 and name HG+   )   4.90  3.04  1.86
assign (resid  52 and name HN    )
       (resid  50 and name HA    )   4.90  3.04  0.10
assign (resid  52 and name HN    )
       (resid  50 and name HB+   )   4.90  3.04  1.86
assign (resid  52 and name HN    )
       (resid  50 and name HN    )   4.90  3.04  0.10
assign (resid  52 and name HN    )
       (resid  51 and name HA    )   4.90  3.04  0.10
assign (resid  52 and name HN    )
       (resid  51 and name HB+   )   4.90  3.04  0.10
assign (resid  52 and name HN    )
       (resid  51 and name HB+   )   4.90  3.04  0.10
assign (resid  52 and name HN    )
       (resid  51 and name HN    )   4.90  3.04  0.10
assign (resid  52 and name HN    )
       (resid  52 and name HA    )   4.90  3.04  0.10
assign (resid  52 and name HN    )
       (resid  52 and name HB    )   4.90  3.04  0.10
assign (resid  52 and name HN    )
       (resid  53 and name HN    )   4.90  3.04  0.10
assign (resid  53 and name HA    )
       (resid  44 and name HB+   )   4.90  3.04  1.86
assign (resid  53 and name HA    )
       (resid  45 and name HA    )   4.90  3.04  0.10
assign (resid  53 and name HA    )
       (resid  45 and name HB+   )   4.90  3.04  1.86
assign (resid  53 and name HA    )
       (resid  45 and name HD++  )   4.90  3.04  4.76
assign (resid  53 and name HA    )
       (resid  52 and name HB    )   4.90  3.04  0.10
assign (resid  53 and name HA    )
       (resid  54 and name HB+   )   4.90  3.04  1.86
assign (resid  53 and name HA    )
       (resid  55 and name HG++  )   4.90  3.04  4.76
assign (resid  53 and name HB+   )
       (resid  30 and name HB+   )   4.90  3.04  3.63
assign (resid  53 and name HB+   )
       (resid  44 and name HB+   )   4.90  3.04  3.63
assign (resid  53 and name HB+   )
       (resid  45 and name HA    )   4.90  3.04  1.86
assign (resid  53 and name HB+   )
       (resid  45 and name HD++  )   4.90  3.04  6.52
assign (resid  53 and name HB+   )
       (resid  52 and name HA    )   4.90  3.04  1.86
assign (resid  53 and name HB+   )
       (resid  53 and name HA    )   4.90  3.04  1.86
assign (resid  53 and name HB+   )
       (resid  54 and name HA    )   4.90  3.04  1.86
assign (resid  53 and name HB+   )
       (resid  54 and name HB+   )   4.90  3.04  3.63
assign (resid  53 and name HB+   )
       (resid  54 and name HD+   )   4.90  3.04  6.10
assign (resid  53 and name HB+   )
       (resid  55 and name HG++  )   4.90  3.04  6.52
assign (resid  53 and name HN    )
       (resid  17 and name HA    )   4.90  3.04  0.10
assign (resid  53 and name HN    )
       (resid  18 and name HA    )   4.90  3.04  0.10
assign (resid  53 and name HN    )
       (resid  18 and name HB+   )   4.90  3.04  1.86
assign (resid  53 and name HN    )
       (resid  18 and name HD++  )   4.90  3.04  4.76
assign (resid  53 and name HN    )
       (resid  18 and name HN    )   4.90  3.04  0.10
assign (resid  53 and name HN    )
       (resid  19 and name HA    )   4.90  3.04  0.10
assign (resid  53 and name HN    )
       (resid  19 and name HG2+  )   4.90  3.04  1.86
assign (resid  53 and name HN    )
       (resid  21 and name HD++  )   4.90  3.04  4.76
assign (resid  53 and name HN    )
       (resid  52 and name HA    )   4.90  3.04  0.10
assign (resid  53 and name HN    )
       (resid  52 and name HB    )   4.90  3.04  0.10
assign (resid  53 and name HN    )
       (resid  52 and name HD1+  )   4.90  3.04  1.86
assign (resid  53 and name HN    )
       (resid  52 and name HG2+  )   4.90  3.04  1.86
assign (resid  53 and name HN    )
       (resid  53 and name HA    )   4.90  3.04  0.10
assign (resid  53 and name HN    )
       (resid  53 and name HB+   )   4.90  3.04  1.86
assign (resid  53 and name HN    )
       (resid  83 and name HG1+  )   4.90  3.04  1.86
assign (resid  54 and name HA    )
       (resid  16 and name HB+   )   4.90  3.04  1.86
assign (resid  54 and name HA    )
       (resid  17 and name HD+   )   4.90  3.04  4.40
assign (resid  54 and name HB+   )
       (resid  43 and name HA    )   4.90  3.04  1.86
assign (resid  54 and name HB+   )
       (resid  43 and name HG++  )   4.90  3.04  6.52
assign (resid  54 and name HB+   )
       (resid  44 and name HG+   )   4.90  3.04  3.63
assign (resid  54 and name HB+   )
       (resid  52 and name HD1+  )   4.90  3.04  3.63
assign (resid  54 and name HB+   )
       (resid  54 and name HA    )   4.90  3.04  1.86
assign (resid  54 and name HD+   )
       (resid  15 and name HB    )   4.90  3.04  4.40
assign (resid  54 and name HD+   )
       (resid  15 and name HG2+  )   4.90  3.04  6.10
assign (resid  54 and name HD+   )
       (resid  17 and name HA    )   4.90  3.04  4.40
assign (resid  54 and name HD+   )
       (resid  17 and name HD+   )   4.90  3.04  8.70
assign (resid  54 and name HD+   )
       (resid  54 and name HA    )   4.90  3.04  4.40
assign (resid  54 and name HD+   )
       (resid  54 and name HB+   )   4.90  3.04  4.40
assign (resid  54 and name HN    )
       (resid  43 and name HG++  )   4.90  3.04  4.76
assign (resid  54 and name HN    )
       (resid  44 and name HA    )   4.90  3.04  0.10
assign (resid  54 and name HN    )
       (resid  44 and name HB+   )   4.90  3.04  0.10
assign (resid  54 and name HN    )
       (resid  44 and name HB+   )   4.90  3.04  0.10
assign (resid  54 and name HN    )
       (resid  44 and name HE    )   4.90  3.04  0.10
assign (resid  54 and name HN    )
       (resid  44 and name HG+   )   4.90  3.04  1.86
assign (resid  54 and name HN    )
       (resid  44 and name HN    )   4.90  3.04  0.10
assign (resid  54 and name HN    )
       (resid  45 and name HA    )   4.90  3.04  0.10
assign (resid  54 and name HN    )
       (resid  45 and name HB+   )   4.90  3.04  1.86
assign (resid  54 and name HN    )
       (resid  45 and name HD++  )   4.90  3.04  4.76
assign (resid  54 and name HN    )
       (resid  53 and name HA    )   4.90  3.04  0.10
assign (resid  54 and name HN    )
       (resid  53 and name HB+   )   4.90  3.04  1.86
assign (resid  54 and name HN    )
       (resid  53 and name HN    )   4.90  3.04  0.10
assign (resid  54 and name HN    )
       (resid  54 and name HA    )   4.90  3.04  0.10
assign (resid  54 and name HN    )
       (resid  54 and name HB+   )   4.90  3.04  1.86
assign (resid  54 and name HN    )
       (resid  54 and name HD+   )   4.90  3.04  4.40
assign (resid  54 and name HN    )
       (resid  55 and name HG++  )   4.90  3.04  4.76
assign (resid  55 and name HB    )
       (resid  16 and name HB+   )   4.90  3.04  0.10
assign (resid  55 and name HB    )
       (resid  16 and name HB+   )   4.90  3.04  0.10
assign (resid  55 and name HB    )
       (resid  16 and name HD++  )   4.90  3.04  4.76
assign (resid  55 and name HB    )
       (resid  17 and name HA    )   4.90  3.04  0.10
assign (resid  55 and name HB    )
       (resid  55 and name HA    )   4.90  3.04  0.10
assign (resid  55 and name HB    )
       (resid  55 and name HG++  )   4.90  3.04  4.76
assign (resid  55 and name HB    )
       (resid  83 and name HG2+  )   4.90  3.04  1.86
assign (resid  55 and name HG++  )
       (resid  15 and name HD1+  )   4.90  3.04  6.52
assign (resid  55 and name HG++  )
       (resid  16 and name HG    )   4.90  3.04  4.76
assign (resid  55 and name HG++  )
       (resid  17 and name HA    )   4.90  3.04  4.76
assign (resid  55 and name HG++  )
       (resid  30 and name HB+   )   4.90  3.04  6.52
assign (resid  55 and name HG++  )
       (resid  33 and name HB+   )   4.90  3.04  6.52
assign (resid  55 and name HG++  )
       (resid  34 and name HA    )   4.90  3.04  4.76
assign (resid  55 and name HG++  )
       (resid  34 and name HB+   )   4.90  3.04  4.76
assign (resid  55 and name HG++  )
       (resid  34 and name HB+   )   4.90  3.04  4.76
assign (resid  55 and name HG++  )
       (resid  34 and name HZ    )   4.90  3.04  4.70
assign (resid  55 and name HG++  )
       (resid  41 and name HB+   )   4.90  3.04  6.52
assign (resid  55 and name HG++  )
       (resid  42 and name HB+   )   4.90  3.04  6.52
assign (resid  55 and name HG++  )
       (resid  43 and name HA    )   4.90  3.04  4.76
assign (resid  55 and name HG++  )
       (resid  43 and name HG++  )   4.90  3.04  9.42
assign (resid  55 and name HG++  )
       (resid  44 and name HB+   )   4.90  3.04  6.52
assign (resid  55 and name HG++  )
       (resid  54 and name HA    )   4.90  3.04  4.76
assign (resid  55 and name HG++  )
       (resid  54 and name HB+   )   4.90  3.04  6.52
assign (resid  55 and name HG++  )
       (resid  55 and name HA    )   4.90  3.04  4.76
assign (resid  55 and name HG++  )
       (resid  56 and name HA    )   4.90  3.04  4.76
assign (resid  55 and name HG++  )
       (resid  56 and name HB+   )   4.90  3.04  6.52
assign (resid  55 and name HG++  )
       (resid  66 and name HB+   )   4.90  3.04  6.52
assign (resid  55 and name HG++  )
       (resid  67 and name HG+   )   4.90  3.04  6.52
assign (resid  55 and name HG++  )
       (resid  70 and name HD++  )   4.90  3.04  9.42
assign (resid  55 and name HG++  )
       (resid  83 and name HG1+  )   4.90  3.04  6.52
assign (resid  55 and name HG++  )
       (resid  85 and name HA    )   4.90  3.04  4.76
assign (resid  55 and name HN    )
       (resid  15 and name HG2+  )   4.90  3.04  1.86
assign (resid  55 and name HN    )
       (resid  16 and name HA    )   4.90  3.04  0.10
assign (resid  55 and name HN    )
       (resid  16 and name HB+   )   4.90  3.04  1.86
assign (resid  55 and name HN    )
       (resid  16 and name HD++  )   4.90  3.04  4.76
assign (resid  55 and name HN    )
       (resid  16 and name HN    )   4.90  3.04  0.10
assign (resid  55 and name HN    )
       (resid  17 and name HA    )   4.90  3.04  0.10
assign (resid  55 and name HN    )
       (resid  54 and name HA    )   4.90  3.04  0.10
assign (resid  55 and name HN    )
       (resid  54 and name HB+   )   4.90  3.04  1.86
assign (resid  55 and name HN    )
       (resid  54 and name HD+   )   4.90  3.04  4.40
assign (resid  55 and name HN    )
       (resid  55 and name HA    )   4.90  3.04  0.10
assign (resid  55 and name HN    )
       (resid  55 and name HB    )   4.90  3.04  0.10
assign (resid  55 and name HN    )
       (resid  55 and name HG++  )   4.90  3.04  4.76
assign (resid  56 and name HA    )
       (resid  56 and name HG+   )   4.90  3.04  1.86
assign (resid  56 and name HB+   )
       (resid  56 and name HA    )   4.90  3.04  1.86
assign (resid  56 and name HB+   )
       (resid  56 and name HG+   )   4.90  3.04  3.63
assign (resid  56 and name HG+   )
       (resid  15 and name HA    )   4.90  3.04  1.86
assign (resid  56 and name HG+   )
       (resid  15 and name HG1+  )   4.90  3.04  3.63
assign (resid  56 and name HG+   )
       (resid  41 and name HG+   )   4.90  3.04  3.63
assign (resid  56 and name HG+   )
       (resid  42 and name HB+   )   4.90  3.04  3.63
assign (resid  56 and name HG+   )
       (resid  55 and name HG++  )   4.90  3.04  6.52
assign (resid  56 and name HN    )
       (resid  15 and name HA    )   4.90  3.04  0.10
assign (resid  56 and name HN    )
       (resid  15 and name HD1+  )   4.90  3.04  1.86
assign (resid  56 and name HN    )
       (resid  41 and name HB+   )   4.90  3.04  1.86
assign (resid  56 and name HN    )
       (resid  41 and name HD+   )   4.90  3.04  1.86
assign (resid  56 and name HN    )
       (resid  42 and name HA    )   4.90  3.04  0.10
assign (resid  56 and name HN    )
       (resid  42 and name HB+   )   4.90  3.04  1.86
assign (resid  56 and name HN    )
       (resid  42 and name HG+   )   4.90  3.04  1.86
assign (resid  56 and name HN    )
       (resid  43 and name HA    )   4.90  3.04  0.10
assign (resid  56 and name HN    )
       (resid  43 and name HG++  )   4.90  3.04  3.62
assign (resid  56 and name HN    )
       (resid  43 and name HG++  )   4.90  3.04  3.62
assign (resid  56 and name HN    )
       (resid  54 and name HB+   )   4.90  3.04  1.86
assign (resid  56 and name HN    )
       (resid  55 and name HA    )   4.90  3.04  0.10
assign (resid  56 and name HN    )
       (resid  55 and name HB    )   4.90  3.04  0.10
assign (resid  56 and name HN    )
       (resid  55 and name HG++  )   4.90  3.04  1.86
assign (resid  56 and name HN    )
       (resid  56 and name HA    )   4.90  3.04  0.10
assign (resid  56 and name HN    )
       (resid  56 and name HB+   )   4.90  3.04  1.86
assign (resid  56 and name HN    )
       (resid  56 and name HG+   )   4.90  3.04  1.86
assign (resid  57 and name HA    )
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assign (resid  57 and name HA    )
       (resid  41 and name HD+   )   4.90  3.04  1.86
assign (resid  57 and name HA    )
       (resid  41 and name HG+   )   4.90  3.04  1.86
assign (resid  57 and name HA    )
       (resid  55 and name HG++  )   4.90  3.04  4.76
assign (resid  57 and name HA    )
       (resid  56 and name HG+   )   4.90  3.04  1.86
assign (resid  57 and name HA    )
       (resid  57 and name HB+   )   4.90  3.04  1.86
assign (resid  57 and name HA    )
       (resid  58 and name HB+   )   4.90  3.04  1.86
assign (resid  57 and name HB+   )
       (resid  14 and name HB+   )   4.90  3.04  3.63
assign (resid  57 and name HB+   )
       (resid  40 and name HA    )   4.90  3.04  1.86
assign (resid  57 and name HB+   )
       (resid  58 and name HB+   )   4.90  3.04  3.63
assign (resid  57 and name HB+   )
       (resid  63 and name HA    )   4.90  3.04  1.86
assign (resid  57 and name HD+   )
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assign (resid  57 and name HD+   )
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assign (resid  57 and name HD+   )
       (resid  40 and name HA    )   4.90  3.04  4.40
assign (resid  57 and name HD+   )
       (resid  40 and name HB+   )   4.90  3.04  4.40
assign (resid  57 and name HD+   )
       (resid  40 and name HD+   )   4.90  3.04  8.70
assign (resid  57 and name HD+   )
       (resid  55 and name HG++  )   4.90  3.04  7.52
assign (resid  57 and name HD+   )
       (resid  57 and name HA    )   4.90  3.04  4.40
assign (resid  57 and name HD+   )
       (resid  57 and name HB+   )   4.90  3.04  4.40
assign (resid  57 and name HD+   )
       (resid  58 and name HB+   )   4.90  3.04  4.40
assign (resid  57 and name HD+   )
       (resid  63 and name HA    )   4.90  3.04  4.40
assign (resid  57 and name HD+   )
       (resid  63 and name HB+   )   4.90  3.04  6.10
assign (resid  57 and name HD+   )
       (resid  64 and name HA+   )   4.90  3.04  4.40
assign (resid  57 and name HD+   )
       (resid  66 and name HB+   )   4.90  3.04  6.10
assign (resid  57 and name HE+   )
       (resid  57 and name HD+   )   4.90  3.04  4.40
assign (resid  57 and name HN    )
       (resid  14 and name HB+   )   4.90  3.04  0.10
assign (resid  57 and name HN    )
       (resid  15 and name HA    )   4.90  3.04  0.10
assign (resid  57 and name HN    )
       (resid  15 and name HD1+  )   4.90  3.04  1.86
assign (resid  57 and name HN    )
       (resid  15 and name HG1+  )   4.90  3.04  1.86
assign (resid  57 and name HN    )
       (resid  15 and name HG2+  )   4.90  3.04  1.86
assign (resid  57 and name HN    )
       (resid  41 and name HB+   )   4.90  3.04  1.86
assign (resid  57 and name HN    )
       (resid  55 and name HG++  )   4.90  3.04  4.76
assign (resid  57 and name HN    )
       (resid  56 and name HA    )   4.90  3.04  0.10
assign (resid  57 and name HN    )
       (resid  56 and name HB+   )   4.90  3.04  1.86
assign (resid  57 and name HN    )
       (resid  56 and name HG+   )   4.90  3.04  1.86
assign (resid  57 and name HN    )
       (resid  57 and name HA    )   4.90  3.04  0.10
assign (resid  57 and name HN    )
       (resid  57 and name HB+   )   4.90  3.04  1.86
assign (resid  57 and name HN    )
       (resid  57 and name HD+   )   4.90  3.04  4.40
assign (resid  57 and name HN    )
       (resid  58 and name HN    )   4.90  3.04  0.10
assign (resid  57 and name HN    )
       (resid  63 and name HB+   )   4.90  3.04  1.86
assign (resid  58 and name HA    )
       (resid  41 and name HB+   )   4.90  3.04  1.86
assign (resid  58 and name HB+   )
       (resid  58 and name HA    )   4.90  3.04  1.86
assign (resid  58 and name HN    )
       (resid  37 and name HB+   )   4.90  3.04  1.86
assign (resid  58 and name HN    )
       (resid  39 and name HA+   )   4.90  3.04  1.86
assign (resid  58 and name HN    )
       (resid  40 and name HA    )   4.90  3.04  0.10
assign (resid  58 and name HN    )
       (resid  40 and name HN    )   4.90  3.04  0.10
assign (resid  58 and name HN    )
       (resid  41 and name HB+   )   4.90  3.04  1.86
assign (resid  58 and name HN    )
       (resid  41 and name HD+   )   4.90  3.04  1.86
assign (resid  58 and name HN    )
       (resid  41 and name HG+   )   4.90  3.04  0.10
assign (resid  58 and name HN    )
       (resid  41 and name HG+   )   4.90  3.04  0.10
assign (resid  58 and name HN    )
       (resid  41 and name HN    )   4.90  3.04  0.10
assign (resid  58 and name HN    )
       (resid  57 and name HA    )   4.90  3.04  0.10
assign (resid  58 and name HN    )
       (resid  57 and name HD+   )   4.90  3.04  4.40
assign (resid  58 and name HN    )
       (resid  57 and name HE+   )   4.90  3.04  4.40
assign (resid  58 and name HN    )
       (resid  58 and name HA    )   4.90  3.04  0.10
assign (resid  58 and name HN    )
       (resid  58 and name HB+   )   4.90  3.04  1.86
assign (resid  58 and name HN    )
       (resid  62 and name HE2+  )   4.90  3.04  1.86
assign (resid  59 and name HA    )
       (resid  14 and name HA    )   4.90  3.04  0.10
assign (resid  59 and name HA    )
       (resid  14 and name HB+   )   4.90  3.04  1.86
assign (resid  59 and name HB+   )
       (resid  59 and name HA    )   4.90  3.04  1.86
assign (resid  59 and name HD2+  )
       (resid  59 and name HA    )   4.90  3.04  1.86
assign (resid  59 and name HD2+  )
       (resid  59 and name HB+   )   4.90  3.04  3.63
assign (resid  59 and name HD2+  )
       (resid  61 and name HB    )   4.90  3.04  1.86
assign (resid  59 and name HD2+  )
       (resid  61 and name HG++  )   4.90  3.04  6.52
assign (resid  59 and name HD2+  )
       (resid  62 and name HB+   )   4.90  3.04  3.63
assign (resid  59 and name HD2+  )
       (resid  62 and name HG+   )   4.90  3.04  3.63
assign (resid  59 and name HN    )
       (resid  14 and name HB+   )   4.90  3.04  1.86
assign (resid  59 and name HN    )
       (resid  57 and name HA    )   4.90  3.04  0.10
assign (resid  59 and name HN    )
       (resid  57 and name HB+   )   4.90  3.04  1.86
assign (resid  59 and name HN    )
       (resid  57 and name HD+   )   4.90  3.04  4.40
assign (resid  59 and name HN    )
       (resid  58 and name HA    )   4.90  3.04  0.10
assign (resid  59 and name HN    )
       (resid  58 and name HB+   )   4.90  3.04  0.10
assign (resid  59 and name HN    )
       (resid  58 and name HB+   )   4.90  3.04  0.10
assign (resid  59 and name HN    )
       (resid  58 and name HN    )   4.90  3.04  0.10
assign (resid  59 and name HN    )
       (resid  59 and name HA    )   4.90  3.04  0.10
assign (resid  59 and name HN    )
       (resid  59 and name HB+   )   4.90  3.04  1.86
assign (resid  59 and name HN    )
       (resid  59 and name HD2+  )   4.90  3.04  1.86
assign (resid  59 and name HN    )
       (resid  60 and name HA    )   4.90  3.04  0.10
assign (resid  59 and name HN    )
       (resid  60 and name HN    )   4.90  3.04  0.10
assign (resid  59 and name HN    )
       (resid  62 and name HE2+  )   4.90  3.04  1.86
assign (resid  59 and name HN    )
       (resid  62 and name HG+   )   4.90  3.04  1.86
assign (resid  59 and name HN    )
       (resid  62 and name HN    )   4.90  3.04  0.10
assign (resid  59 and name HN    )
       (resid  63 and name HB+   )   4.90  3.04  1.86
assign (resid  60 and name HA    )
       (resid  14 and name HA    )   4.90  3.04  0.10
assign (resid  60 and name HA    )
       (resid  60 and name HG+   )   4.90  3.04  1.86
assign (resid  60 and name HA    )
       (resid  61 and name HA    )   4.90  3.04  0.10
assign (resid  60 and name HA    )
       (resid  61 and name HG++  )   4.90  3.04  4.76
assign (resid  60 and name HA    )
       (resid  63 and name HA    )   4.90  3.04  0.10
assign (resid  60 and name HA    )
       (resid  63 and name HB+   )   4.90  3.04  1.86
assign (resid  60 and name HB+   )
       (resid  12 and name HG+   )   4.90  3.04  3.63
assign (resid  60 and name HB+   )
       (resid  60 and name HA    )   4.90  3.04  1.86
assign (resid  60 and name HB+   )
       (resid  60 and name HG+   )   4.90  3.04  3.63
assign (resid  60 and name HB+   )
       (resid  64 and name HA+   )   4.90  3.04  3.63
assign (resid  60 and name HN    )
       (resid  14 and name HA    )   4.90  3.04  0.10
assign (resid  60 and name HN    )
       (resid  14 and name HB+   )   4.90  3.04  1.86
assign (resid  60 and name HN    )
       (resid  59 and name HA    )   4.90  3.04  0.10
assign (resid  60 and name HN    )
       (resid  59 and name HB+   )   4.90  3.04  0.10
assign (resid  60 and name HN    )
       (resid  59 and name HB+   )   4.90  3.04  0.10
assign (resid  60 and name HN    )
       (resid  59 and name HB+   )   4.90  3.04  0.10
assign (resid  60 and name HN    )
       (resid  59 and name HD2+  )   4.90  3.04  1.86
assign (resid  60 and name HN    )
       (resid  60 and name HA    )   4.90  3.04  0.10
assign (resid  60 and name HN    )
       (resid  60 and name HB+   )   4.90  3.04  1.86
assign (resid  60 and name HN    )
       (resid  60 and name HG+   )   4.90  3.04  1.86
assign (resid  60 and name HN    )
       (resid  61 and name HG++  )   4.90  3.04  4.76
assign (resid  60 and name HN    )
       (resid  61 and name HN    )   4.90  3.04  0.10
assign (resid  60 and name HN    )
       (resid  62 and name HN    )   4.90  3.04  0.10
assign (resid  60 and name HN    )
       (resid  63 and name HB+   )   4.90  3.04  1.86
assign (resid  61 and name HA    )
       (resid  61 and name HB    )   4.90  3.04  0.10
assign (resid  61 and name HA    )
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assign (resid  61 and name HA    )
       (resid  65 and name HB+   )   4.90  3.04  1.86
assign (resid  61 and name HB    )
       (resid  62 and name HA    )   4.90  3.04  0.10
assign (resid  61 and name HB    )
       (resid  62 and name HG+   )   4.90  3.04  1.86
assign (resid  61 and name HG++  )
       (resid  59 and name HB+   )   4.90  3.04  6.52
assign (resid  61 and name HG++  )
       (resid  60 and name HB+   )   4.90  3.04  6.52
assign (resid  61 and name HG++  )
       (resid  60 and name HG+   )   4.90  3.04  6.52
assign (resid  61 and name HG++  )
       (resid  61 and name HA    )   4.90  3.04  4.76
assign (resid  61 and name HG++  )
       (resid  61 and name HB    )   4.90  3.04  4.76
assign (resid  61 and name HG++  )
       (resid  62 and name HE2+  )   4.90  3.04  6.52
assign (resid  61 and name HG++  )
       (resid  63 and name HA    )   4.90  3.04  4.76
assign (resid  61 and name HG++  )
       (resid  63 and name HB+   )   4.90  3.04  6.52
assign (resid  61 and name HG++  )
       (resid  65 and name HB+   )   4.90  3.04  6.52
assign (resid  61 and name HG++  )
       (resid  66 and name HN    )   4.90  3.04  4.76
assign (resid  61 and name HN    )
       (resid  59 and name HA    )   4.90  3.04  0.10
assign (resid  61 and name HN    )
       (resid  59 and name HB+   )   4.90  3.04  0.10
assign (resid  61 and name HN    )
       (resid  59 and name HB+   )   4.90  3.04  0.10
assign (resid  61 and name HN    )
       (resid  60 and name HA    )   4.90  3.04  0.10
assign (resid  61 and name HN    )
       (resid  60 and name HB+   )   4.90  3.04  0.10
assign (resid  61 and name HN    )
       (resid  60 and name HB+   )   4.90  3.04  0.10
assign (resid  61 and name HN    )
       (resid  60 and name HG+   )   4.90  3.04  1.86
assign (resid  61 and name HN    )
       (resid  61 and name HA    )   4.90  3.04  0.10
assign (resid  61 and name HN    )
       (resid  61 and name HB    )   4.90  3.04  0.10
assign (resid  61 and name HN    )
       (resid  61 and name HG++  )   4.90  3.04  4.76
assign (resid  61 and name HN    )
       (resid  62 and name HG+   )   4.90  3.04  1.86
assign (resid  61 and name HN    )
       (resid  62 and name HN    )   4.90  3.04  0.10
assign (resid  61 and name HN    )
       (resid  63 and name HB+   )   4.90  3.04  1.86
assign (resid  62 and name HA    )
       (resid  38 and name HG+   )   4.90  3.04  1.86
assign (resid  62 and name HA    )
       (resid  57 and name HB+   )   4.90  3.04  1.86
assign (resid  62 and name HA    )
       (resid  61 and name HG++  )   4.90  3.04  4.76
assign (resid  62 and name HA    )
       (resid  62 and name HB+   )   4.90  3.04  1.86
assign (resid  62 and name HA    )
       (resid  63 and name HA    )   4.90  3.04  0.10
assign (resid  62 and name HA    )
       (resid  65 and name HB+   )   4.90  3.04  1.86
assign (resid  62 and name HE2+  )
       (resid  38 and name HB+   )   4.90  3.04  1.86
assign (resid  62 and name HE2+  )
       (resid  38 and name HB+   )   4.90  3.04  1.86
assign (resid  62 and name HE2+  )
       (resid  38 and name HD+   )   4.90  3.04  3.63
assign (resid  62 and name HE2+  )
       (resid  38 and name HG+   )   4.90  3.04  3.63
assign (resid  62 and name HE2+  )
       (resid  39 and name HA+   )   4.90  3.04  3.63
assign (resid  62 and name HE2+  )
       (resid  58 and name HB+   )   4.90  3.04  3.63
assign (resid  62 and name HE2+  )
       (resid  62 and name HA    )   4.90  3.04  1.86
assign (resid  62 and name HE2+  )
       (resid  62 and name HG+   )   4.90  3.04  3.63
assign (resid  62 and name HG+   )
       (resid  38 and name HD+   )   4.90  3.04  3.63
assign (resid  62 and name HG+   )
       (resid  38 and name HG+   )   4.90  3.04  3.63
assign (resid  62 and name HG+   )
       (resid  61 and name HG++  )   4.90  3.04  6.52
assign (resid  62 and name HG+   )
       (resid  62 and name HA    )   4.90  3.04  1.86
assign (resid  62 and name HG+   )
       (resid  62 and name HB+   )   4.90  3.04  3.63
assign (resid  62 and name HG+   )
       (resid  65 and name HB+   )   4.90  3.04  3.63
assign (resid  62 and name HN    )
       (resid  60 and name HA    )   4.90  3.04  0.10
assign (resid  62 and name HN    )
       (resid  61 and name HB    )   4.90  3.04  0.10
assign (resid  62 and name HN    )
       (resid  61 and name HG++  )   4.90  3.04  4.76
assign (resid  62 and name HN    )
       (resid  62 and name HA    )   4.90  3.04  0.10
assign (resid  62 and name HN    )
       (resid  62 and name HG+   )   4.90  3.04  1.86
assign (resid  62 and name HN    )
       (resid  63 and name HB+   )   4.90  3.04  1.86
assign (resid  63 and name HA    )
       (resid  66 and name HB+   )   4.90  3.04  1.86
assign (resid  63 and name HB+   )
       (resid  14 and name HA    )   4.90  3.04  1.86
assign (resid  63 and name HB+   )
       (resid  16 and name HB+   )   4.90  3.04  3.63
assign (resid  63 and name HB+   )
       (resid  16 and name HG    )   4.90  3.04  1.86
assign (resid  63 and name HB+   )
       (resid  55 and name HG++  )   4.90  3.04  6.52
assign (resid  63 and name HB+   )
       (resid  57 and name HB+   )   4.90  3.04  1.86
assign (resid  63 and name HB+   )
       (resid  57 and name HB+   )   4.90  3.04  1.86
assign (resid  63 and name HB+   )
       (resid  57 and name HE+   )   4.90  3.04  6.10
assign (resid  63 and name HB+   )
       (resid  59 and name HA    )   4.90  3.04  1.86
assign (resid  63 and name HB+   )
       (resid  60 and name HB+   )   4.90  3.04  3.63
assign (resid  63 and name HB+   )
       (resid  60 and name HG+   )   4.90  3.04  3.63
assign (resid  63 and name HB+   )
       (resid  62 and name HB+   )   4.90  3.04  3.63
assign (resid  63 and name HB+   )
       (resid  63 and name HA    )   4.90  3.04  1.86
assign (resid  63 and name HB+   )
       (resid  64 and name HA+   )   4.90  3.04  3.63
assign (resid  63 and name HB+   )
       (resid  66 and name HB+   )   4.90  3.04  3.63
assign (resid  63 and name HB+   )
       (resid  67 and name HG+   )   4.90  3.04  3.63
assign (resid  63 and name HN    )
       (resid  14 and name HA    )   4.90  3.04  0.10
assign (resid  63 and name HN    )
       (resid  14 and name HB+   )   4.90  3.04  1.86
assign (resid  63 and name HN    )
       (resid  16 and name HD++  )   4.90  3.04  4.76
assign (resid  63 and name HN    )
       (resid  57 and name HB+   )   4.90  3.04  0.10
assign (resid  63 and name HN    )
       (resid  57 and name HB+   )   4.90  3.04  0.10
assign (resid  63 and name HN    )
       (resid  57 and name HD+   )   4.90  3.04  4.40
assign (resid  63 and name HN    )
       (resid  59 and name HA    )   4.90  3.04  0.10
assign (resid  63 and name HN    )
       (resid  59 and name HD2+  )   4.90  3.04  1.86
assign (resid  63 and name HN    )
       (resid  59 and name HN    )   4.90  3.04  0.10
assign (resid  63 and name HN    )
       (resid  60 and name HA    )   4.90  3.04  0.10
assign (resid  63 and name HN    )
       (resid  60 and name HB+   )   4.90  3.04  0.10
assign (resid  63 and name HN    )
       (resid  60 and name HB+   )   4.90  3.04  0.10
assign (resid  63 and name HN    )
       (resid  60 and name HG+   )   4.90  3.04  1.86
assign (resid  63 and name HN    )
       (resid  61 and name HA    )   4.90  3.04  0.10
assign (resid  63 and name HN    )
       (resid  61 and name HB    )   4.90  3.04  0.10
assign (resid  63 and name HN    )
       (resid  61 and name HG++  )   4.90  3.04  4.76
assign (resid  63 and name HN    )
       (resid  61 and name HN    )   4.90  3.04  0.10
assign (resid  63 and name HN    )
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assign (resid  63 and name HN    )
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assign (resid  63 and name HN    )
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assign (resid  63 and name HN    )
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assign (resid  63 and name HN    )
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assign (resid  63 and name HN    )
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assign (resid  63 and name HN    )
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assign (resid  63 and name HN    )
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assign (resid  63 and name HN    )
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assign (resid  63 and name HN    )
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assign (resid  63 and name HN    )
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assign (resid  64 and name HA+   )
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assign (resid  64 and name HA+   )
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assign (resid  64 and name HA+   )
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assign (resid  64 and name HA+   )
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assign (resid  64 and name HN    )
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assign (resid  64 and name HN    )
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assign (resid  64 and name HN    )
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assign (resid  64 and name HN    )
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assign (resid  64 and name HN    )
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assign (resid  64 and name HN    )
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assign (resid  64 and name HN    )
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assign (resid  64 and name HN    )
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assign (resid  64 and name HN    )
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assign (resid  64 and name HN    )
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assign (resid  64 and name HN    )
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assign (resid  64 and name HN    )
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assign (resid  64 and name HN    )
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assign (resid  64 and name HN    )
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assign (resid  64 and name HN    )
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assign (resid  65 and name HB+   )
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assign (resid  65 and name HB+   )
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assign (resid  65 and name HB+   )
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assign (resid  65 and name HB+   )
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assign (resid  65 and name HB+   )
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assign (resid  65 and name HB+   )
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assign (resid  65 and name HB+   )
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assign (resid  65 and name HB+   )
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assign (resid  65 and name HB+   )
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assign (resid  65 and name HB+   )
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assign (resid  65 and name HB+   )
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assign (resid  65 and name HN    )
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assign (resid  65 and name HN    )
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assign (resid  65 and name HN    )
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assign (resid  65 and name HN    )
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assign (resid  65 and name HN    )
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assign (resid  65 and name HN    )
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assign (resid  65 and name HN    )
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assign (resid  65 and name HN    )
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assign (resid  65 and name HN    )
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assign (resid  65 and name HN    )
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assign (resid  65 and name HN    )
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assign (resid  66 and name HB+   )
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assign (resid  66 and name HB+   )
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assign (resid  66 and name HB+   )
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assign (resid  66 and name HB+   )
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assign (resid  66 and name HB+   )
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assign (resid  66 and name HB+   )
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assign (resid  66 and name HB+   )
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assign (resid  66 and name HB+   )
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assign (resid  66 and name HB+   )
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assign (resid  66 and name HN    )
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assign (resid  66 and name HN    )
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assign (resid  66 and name HN    )
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assign (resid  66 and name HN    )
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assign (resid  66 and name HN    )
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assign (resid  66 and name HN    )
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assign (resid  66 and name HN    )
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assign (resid  66 and name HN    )
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assign (resid  66 and name HN    )
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assign (resid  66 and name HN    )
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assign (resid  66 and name HN    )
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assign (resid  66 and name HN    )
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assign (resid  67 and name HB+   )
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assign (resid  67 and name HB+   )
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assign (resid  67 and name HB+   )
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assign (resid  67 and name HB+   )
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assign (resid  67 and name HD+   )
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assign (resid  67 and name HD+   )
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assign (resid  67 and name HD+   )
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assign (resid  67 and name HD+   )
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assign (resid  67 and name HD+   )
       (resid  71 and name HG+   )   4.90  3.04  3.63
assign (resid  67 and name HD+   )
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assign (resid  67 and name HD+   )
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assign (resid  67 and name HD+   )
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assign (resid  67 and name HG+   )
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assign (resid  67 and name HG+   )
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assign (resid  67 and name HG+   )
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assign (resid  67 and name HG+   )
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assign (resid  67 and name HG+   )
       (resid  67 and name HD+   )   4.90  3.04  3.63
assign (resid  67 and name HG+   )
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assign (resid  67 and name HG+   )
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assign (resid  67 and name HG+   )
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assign (resid  67 and name HG+   )
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assign (resid  67 and name HH++  )
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assign (resid  67 and name HH++  )
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assign (resid  67 and name HH++  )
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assign (resid  67 and name HH++  )
       (resid  67 and name HB+   )   4.90  3.04  6.52
assign (resid  67 and name HH++  )
       (resid  67 and name HE    )   4.90  3.04  4.76
assign (resid  67 and name HH++  )
       (resid  67 and name HG+   )   4.90  3.04  6.52
assign (resid  67 and name HH++  )
       (resid  67 and name HN    )   4.90  3.04  4.76
assign (resid  67 and name HH++  )
       (resid  68 and name HB+   )   4.90  3.04  6.52
assign (resid  67 and name HH++  )
       (resid  71 and name HB+   )   4.90  3.04  6.52
assign (resid  67 and name HH++  )
       (resid  71 and name HG+   )   4.90  3.04  6.52
assign (resid  67 and name HH++  )
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assign (resid  67 and name HH++  )
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assign (resid  67 and name HH++  )
       (resid  83 and name HB    )   4.90  3.04  4.76
assign (resid  67 and name HH++  )
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assign (resid  67 and name HH++  )
       (resid  83 and name HG1+  )   4.90  3.04  6.52
assign (resid  67 and name HH++  )
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assign (resid  67 and name HH++  )
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assign (resid  67 and name HH++  )
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assign (resid  67 and name HH++  )
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assign (resid  67 and name HN    )
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assign (resid  67 and name HN    )
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assign (resid  67 and name HN    )
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assign (resid  67 and name HN    )
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assign (resid  67 and name HN    )
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assign (resid  67 and name HN    )
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assign (resid  67 and name HN    )
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assign (resid  67 and name HN    )
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assign (resid  67 and name HN    )
       (resid  65 and name HN    )   4.90  3.04  0.10
assign (resid  67 and name HN    )
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assign (resid  67 and name HN    )
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assign (resid  67 and name HN    )
       (resid  66 and name HN    )   4.90  3.04  0.10
assign (resid  67 and name HN    )
       (resid  67 and name HA    )   4.90  3.04  0.10
assign (resid  67 and name HN    )
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assign (resid  67 and name HN    )
       (resid  67 and name HD+   )   4.90  3.04  1.86
assign (resid  67 and name HN    )
       (resid  67 and name HG+   )   4.90  3.04  1.86
assign (resid  67 and name HN    )
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assign (resid  67 and name HN    )
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assign (resid  68 and name HA    )
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assign (resid  68 and name HA    )
       (resid  67 and name HG+   )   4.90  3.04  1.86
assign (resid  68 and name HA    )
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assign (resid  68 and name HA    )
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assign (resid  68 and name HB+   )
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assign (resid  68 and name HB+   )
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assign (resid  68 and name HB+   )
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assign (resid  68 and name HN    )
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assign (resid  68 and name HN    )
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assign (resid  68 and name HN    )
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assign (resid  68 and name HN    )
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assign (resid  68 and name HN    )
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assign (resid  68 and name HN    )
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assign (resid  68 and name HN    )
       (resid  66 and name HN    )   4.90  3.04  0.10
assign (resid  68 and name HN    )
       (resid  67 and name HA    )   4.90  3.04  0.10
assign (resid  68 and name HN    )
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assign (resid  68 and name HN    )
       (resid  67 and name HD+   )   4.90  3.04  1.86
assign (resid  68 and name HN    )
       (resid  67 and name HE    )   4.90  3.04  0.10
assign (resid  68 and name HN    )
       (resid  67 and name HG+   )   4.90  3.04  1.86
assign (resid  68 and name HN    )
       (resid  68 and name HA    )   4.90  3.04  0.10
assign (resid  68 and name HN    )
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assign (resid  68 and name HN    )
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assign (resid  68 and name HN    )
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assign (resid  68 and name HN    )
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assign (resid  69 and name HA    )
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assign (resid  69 and name HA    )
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assign (resid  69 and name HA    )
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assign (resid  69 and name HB+   )
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assign (resid  69 and name HB+   )
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assign (resid  69 and name HB+   )
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assign (resid  69 and name HB+   )
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assign (resid  69 and name HB+   )
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assign (resid  69 and name HB+   )
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assign (resid  69 and name HB+   )
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assign (resid  69 and name HB+   )
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assign (resid  69 and name HN    )
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assign (resid  69 and name HN    )
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assign (resid  69 and name HN    )
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assign (resid  69 and name HN    )
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assign (resid  69 and name HN    )
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assign (resid  69 and name HN    )
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assign (resid  69 and name HN    )
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assign (resid  69 and name HN    )
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assign (resid   6 and name HD+   )
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assign (resid   6 and name HD+   )
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assign (resid  70 and name HB+   )
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assign (resid  70 and name HB+   )
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assign (resid  70 and name HB+   )
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assign (resid  70 and name HD++  )
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assign (resid  70 and name HD++  )
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assign (resid  70 and name HD++  )
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assign (resid  70 and name HD++  )
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assign (resid  70 and name HD++  )
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assign (resid  70 and name HD++  )
       (resid  67 and name HG+   )   4.90  3.04  6.52
assign (resid  70 and name HD++  )
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assign (resid  70 and name HD++  )
       (resid  70 and name HA    )   4.90  3.04  4.76
assign (resid  70 and name HD++  )
       (resid  71 and name HG+   )   4.90  3.04  6.52
assign (resid  70 and name HD++  )
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assign (resid  70 and name HD++  )
       (resid  73 and name HB+   )   4.90  3.04  4.76
assign (resid  70 and name HD++  )
       (resid  73 and name HB+   )   4.90  3.04  4.76
assign (resid  70 and name HD++  )
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assign (resid  70 and name HD++  )
       (resid  81 and name HG+   )   4.90  3.04  6.52
assign (resid  70 and name HD++  )
       (resid  83 and name HB    )   4.90  3.04  4.76
assign (resid  70 and name HG    )
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assign (resid  70 and name HG    )
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assign (resid  70 and name HG    )
       (resid  70 and name HB+   )   4.90  3.04  1.86
assign (resid  70 and name HG    )
       (resid  70 and name HD++  )   4.90  3.04  4.76
assign (resid  70 and name HN    )
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assign (resid  70 and name HN    )
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assign (resid  70 and name HN    )
       (resid  66 and name HB+   )   4.90  3.04  1.86
assign (resid  70 and name HN    )
       (resid  67 and name HA    )   4.90  3.04  0.10
assign (resid  70 and name HN    )
       (resid  67 and name HD+   )   4.90  3.04  1.86
assign (resid  70 and name HN    )
       (resid  67 and name HN    )   4.90  3.04  0.10
assign (resid  70 and name HN    )
       (resid  68 and name HB+   )   4.90  3.04  1.86
assign (resid  70 and name HN    )
       (resid  69 and name HA    )   4.90  3.04  0.10
assign (resid  70 and name HN    )
       (resid  69 and name HB+   )   4.90  3.04  1.86
assign (resid  70 and name HN    )
       (resid  69 and name HN    )   4.90  3.04  0.10
assign (resid  70 and name HN    )
       (resid  70 and name HA    )   4.90  3.04  0.10
assign (resid  70 and name HN    )
       (resid  70 and name HB+   )   4.90  3.04  1.86
assign (resid  70 and name HN    )
       (resid  70 and name HD++  )   4.90  3.04  4.76
assign (resid  70 and name HN    )
       (resid  70 and name HG    )   4.90  3.04  0.10
assign (resid  70 and name HN    )
       (resid  71 and name HA    )   4.90  3.04  0.10
assign (resid  70 and name HN    )
       (resid  71 and name HB+   )   4.90  3.04  1.86
assign (resid  70 and name HN    )
       (resid  71 and name HG+   )   4.90  3.04  1.86
assign (resid  71 and name HA    )
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assign (resid  71 and name HB+   )
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assign (resid  71 and name HE2+  )
       (resid  71 and name HA    )   4.90  3.04  1.86
assign (resid  71 and name HE2+  )
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assign (resid  71 and name HE2+  )
       (resid  71 and name HG+   )   4.90  3.04  3.63
assign (resid  71 and name HG+   )
       (resid  71 and name HA    )   4.90  3.04  1.86
assign (resid  71 and name HG+   )
       (resid  71 and name HB+   )   4.90  3.04  3.63
assign (resid  71 and name HN    )
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assign (resid  71 and name HN    )
       (resid  67 and name HD+   )   4.90  3.04  1.86
assign (resid  71 and name HN    )
       (resid  68 and name HA    )   4.90  3.04  0.10
assign (resid  71 and name HN    )
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assign (resid  71 and name HN    )
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assign (resid  71 and name HN    )
       (resid  70 and name HA    )   4.90  3.04  0.10
assign (resid  71 and name HN    )
       (resid  70 and name HB+   )   4.90  3.04  1.86
assign (resid  71 and name HN    )
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assign (resid  71 and name HN    )
       (resid  70 and name HG    )   4.90  3.04  0.10
assign (resid  71 and name HN    )
       (resid  70 and name HN    )   4.90  3.04  0.10
assign (resid  71 and name HN    )
       (resid  71 and name HA    )   4.90  3.04  0.10
assign (resid  71 and name HN    )
       (resid  71 and name HB+   )   4.90  3.04  1.86
assign (resid  71 and name HN    )
       (resid  71 and name HG+   )   4.90  3.04  1.86
assign (resid  72 and name HN    )
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assign (resid  72 and name HN    )
       (resid  70 and name HG    )   4.90  3.04  0.10
assign (resid  72 and name HN    )
       (resid  71 and name HA    )   4.90  3.04  0.10
assign (resid  72 and name HN    )
       (resid  71 and name HB+   )   4.90  3.04  0.10
assign (resid  72 and name HN    )
       (resid  71 and name HB+   )   4.90  3.04  0.10
assign (resid  72 and name HN    )
       (resid  71 and name HG+   )   4.90  3.04  1.86
assign (resid  72 and name HN    )
       (resid  71 and name HN    )   4.90  3.04  0.10
assign (resid  72 and name HN    )
       (resid  72 and name HA+   )   4.90  3.04  1.86
assign (resid  72 and name HN    )
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assign (resid  72 and name HN    )
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assign (resid  72 and name HN    )
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assign (resid  72 and name HN    )
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assign (resid  73 and name HA    )
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assign (resid  73 and name HA    )
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assign (resid  73 and name HA    )
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assign (resid  73 and name HA    )
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assign (resid  73 and name HA    )
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assign (resid  73 and name HA    )
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assign (resid  73 and name HA    )
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assign (resid  73 and name HB+   )
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assign (resid  73 and name HB+   )
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assign (resid  73 and name HB+   )
       (resid  70 and name HB+   )   4.90  3.04  3.63
assign (resid  73 and name HB+   )
       (resid  71 and name HA    )   4.90  3.04  1.86
assign (resid  73 and name HB+   )
       (resid  73 and name HE+   )   4.90  3.04  6.10
assign (resid  73 and name HB+   )
       (resid  74 and name HG+   )   4.90  3.04  3.63
assign (resid  73 and name HB+   )
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assign (resid  73 and name HB+   )
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assign (resid  73 and name HD+   )
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assign (resid  73 and name HD+   )
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assign (resid  73 and name HD+   )
       (resid  73 and name HA    )   4.90  3.04  4.40
assign (resid  73 and name HD+   )
       (resid  73 and name HB+   )   4.90  3.04  4.40
assign (resid  73 and name HD+   )
       (resid  73 and name HE+   )   4.90  3.04  4.40
assign (resid  73 and name HD+   )
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assign (resid  73 and name HD+   )
       (resid  75 and name HG1+  )   4.90  3.04  6.10
assign (resid  73 and name HD+   )
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assign (resid  73 and name HN    )
       (resid  70 and name HA    )   4.90  3.04  0.10
assign (resid  73 and name HN    )
       (resid  70 and name HB+   )   4.90  3.04  1.86
assign (resid  73 and name HN    )
       (resid  70 and name HD++  )   4.90  3.04  4.76
assign (resid  73 and name HN    )
       (resid  71 and name HA    )   4.90  3.04  0.10
assign (resid  73 and name HN    )
       (resid  72 and name HA+   )   4.90  3.04  1.86
assign (resid  73 and name HN    )
       (resid  73 and name HA    )   4.90  3.04  0.10
assign (resid  73 and name HN    )
       (resid  73 and name HB+   )   4.90  3.04  1.86
assign (resid  73 and name HN    )
       (resid  73 and name HD+   )   4.90  3.04  1.86
assign (resid  73 and name HN    )
       (resid  74 and name HG+   )   4.90  3.04  1.86
assign (resid  73 and name HN    )
       (resid  74 and name HN    )   4.90  3.04  0.10
assign (resid  73 and name HN    )
       (resid  80 and name HB+   )   4.90  3.04  1.86
assign (resid  73 and name HN    )
       (resid  81 and name HB+   )   4.90  3.04  0.10
assign (resid  73 and name HN    )
       (resid  81 and name HG+   )   4.90  3.04  0.10
assign (resid  74 and name HA    )
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assign (resid  74 and name HA    )
       (resid  74 and name HE+   )   4.90  3.04  1.86
assign (resid  74 and name HA    )
       (resid  75 and name HA    )   4.90  3.04  0.10
assign (resid  74 and name HA    )
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assign (resid  74 and name HB+   )
       (resid  73 and name HB+   )   4.90  3.04  3.63
assign (resid  74 and name HB+   )
       (resid  74 and name HA    )   4.90  3.04  1.86
assign (resid  74 and name HB+   )
       (resid  74 and name HD+   )   4.90  3.04  3.63
assign (resid  74 and name HB+   )
       (resid  75 and name HA    )   4.90  3.04  1.86
assign (resid  74 and name HB+   )
       (resid  75 and name HB    )   4.90  3.04  1.86
assign (resid  74 and name HB+   )
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assign (resid  74 and name HD+   )
       (resid  74 and name HA    )   4.90  3.04  1.86
assign (resid  74 and name HD+   )
       (resid  74 and name HE+   )   4.90  3.04  3.63
assign (resid  74 and name HD+   )
       (resid  74 and name HG+   )   4.90  3.04  3.63
assign (resid  74 and name HD+   )
       (resid  75 and name HA    )   4.90  3.04  1.86
assign (resid  74 and name HE+   )
       (resid  74 and name HB+   )   4.90  3.04  3.63
assign (resid  74 and name HE+   )
       (resid  74 and name HG+   )   4.90  3.04  3.63
assign (resid  74 and name HE+   )
       (resid  77 and name HA    )   4.90  3.04  1.86
assign (resid  74 and name HG+   )
       (resid  74 and name HA    )   4.90  3.04  1.86
assign (resid  74 and name HG+   )
       (resid  74 and name HB+   )   4.90  3.04  3.63
assign (resid  74 and name HG+   )
       (resid  80 and name HB+   )   4.90  3.04  3.63
assign (resid  74 and name HN    )
       (resid  73 and name HA    )   4.90  3.04  0.10
assign (resid  74 and name HN    )
       (resid  73 and name HB+   )   4.90  3.04  0.10
assign (resid  74 and name HN    )
       (resid  73 and name HB+   )   4.90  3.04  0.10
assign (resid  74 and name HN    )
       (resid  73 and name HD+   )   4.90  3.04  4.40
assign (resid  74 and name HN    )
       (resid  74 and name HA    )   4.90  3.04  0.10
assign (resid  74 and name HN    )
       (resid  74 and name HB+   )   4.90  3.04  1.86
assign (resid  74 and name HN    )
       (resid  74 and name HD+   )   4.90  3.04  1.86
assign (resid  74 and name HN    )
       (resid  74 and name HE+   )   4.90  3.04  1.86
assign (resid  74 and name HN    )
       (resid  74 and name HG+   )   4.90  3.04  1.86
assign (resid  74 and name HN    )
       (resid  80 and name HA    )   4.90  3.04  0.10
assign (resid  74 and name HN    )
       (resid  80 and name HB+   )   4.90  3.04  1.86
assign (resid  75 and name HA    )
       (resid  73 and name HD+   )   4.90  3.04  4.40
assign (resid  75 and name HB    )
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assign (resid  75 and name HB    )
       (resid  74 and name HA    )   4.90  3.04  0.10
assign (resid  75 and name HB    )
       (resid  75 and name HA    )   4.90  3.04  0.10
assign (resid  75 and name HB    )
       (resid  75 and name HG1+  )   4.90  3.04  1.86
assign (resid  75 and name HB    )
       (resid  80 and name HA    )   4.90  3.04  0.10
assign (resid  75 and name HD1+  )
       (resid  20 and name HB+   )   4.90  3.04  3.63
assign (resid  75 and name HD1+  )
       (resid  21 and name HA    )   4.90  3.04  1.86
assign (resid  75 and name HD1+  )
       (resid  21 and name HD++  )   4.90  3.04  6.52
assign (resid  75 and name HD1+  )
       (resid  22 and name HB+   )   4.90  3.04  3.63
assign (resid  75 and name HD1+  )
       (resid  22 and name HD+   )   4.90  3.04  1.86
assign (resid  75 and name HD1+  )
       (resid  22 and name HD+   )   4.90  3.04  1.86
assign (resid  75 and name HD1+  )
       (resid  22 and name HG+   )   4.90  3.04  3.63
assign (resid  75 and name HD1+  )
       (resid  73 and name HB+   )   4.90  3.04  3.63
assign (resid  75 and name HD1+  )
       (resid  75 and name HA    )   4.90  3.04  1.86
assign (resid  75 and name HD1+  )
       (resid  79 and name HB+   )   4.90  3.04  3.63
assign (resid  75 and name HD1+  )
       (resid  81 and name HA    )   4.90  3.04  1.86
assign (resid  75 and name HD1+  )
       (resid  81 and name HB+   )   4.90  3.04  3.63
assign (resid  75 and name HG1+  )
       (resid  22 and name HB+   )   4.90  3.04  3.63
assign (resid  75 and name HG1+  )
       (resid  22 and name HG+   )   4.90  3.04  3.63
assign (resid  75 and name HG1+  )
       (resid  75 and name HA    )   4.90  3.04  1.86
assign (resid  75 and name HG1+  )
       (resid  75 and name HD1+  )   4.90  3.04  3.63
assign (resid  75 and name HG2+  )
       (resid  22 and name HB+   )   4.90  3.04  1.86
assign (resid  75 and name HG2+  )
       (resid  22 and name HB+   )   4.90  3.04  1.86
assign (resid  75 and name HG2+  )
       (resid  22 and name HD+   )   4.90  3.04  1.86
assign (resid  75 and name HG2+  )
       (resid  22 and name HD+   )   4.90  3.04  1.86
assign (resid  75 and name HG2+  )
       (resid  74 and name HA    )   4.90  3.04  1.86
assign (resid  75 and name HG2+  )
       (resid  75 and name HA    )   4.90  3.04  1.86
assign (resid  75 and name HG2+  )
       (resid  75 and name HB    )   4.90  3.04  1.86
assign (resid  75 and name HG2+  )
       (resid  75 and name HG1+  )   4.90  3.04  3.63
assign (resid  75 and name HG2+  )
       (resid  76 and name HA    )   4.90  3.04  1.86
assign (resid  75 and name HN    )
       (resid  73 and name HA    )   4.90  3.04  0.10
assign (resid  75 and name HN    )
       (resid  73 and name HD+   )   4.90  3.04  4.40
assign (resid  75 and name HN    )
       (resid  73 and name HE+   )   4.90  3.04  4.40
assign (resid  75 and name HN    )
       (resid  74 and name HA    )   4.90  3.04  0.10
assign (resid  75 and name HN    )
       (resid  74 and name HB+   )   4.90  3.04  1.86
assign (resid  75 and name HN    )
       (resid  74 and name HG+   )   4.90  3.04  1.86
assign (resid  75 and name HN    )
       (resid  75 and name HA    )   4.90  3.04  0.10
assign (resid  75 and name HN    )
       (resid  75 and name HB    )   4.90  3.04  0.10
assign (resid  75 and name HN    )
       (resid  75 and name HD1+  )   4.90  3.04  1.86
assign (resid  75 and name HN    )
       (resid  75 and name HG1+  )   4.90  3.04  1.86
assign (resid  75 and name HN    )
       (resid  75 and name HG2+  )   4.90  3.04  1.86
assign (resid  75 and name HN    )
       (resid  79 and name HB+   )   4.90  3.04  0.10
assign (resid  75 and name HN    )
       (resid  79 and name HB+   )   4.90  3.04  0.10
assign (resid  75 and name HN    )
       (resid  80 and name HA    )   4.90  3.04  0.10
assign (resid  75 and name HN    )
       (resid  80 and name HB+   )   4.90  3.04  1.86
assign (resid  75 and name HN    )
       (resid  81 and name HB+   )   4.90  3.04  1.86
assign (resid  75 and name HN    )
       (resid  81 and name HN    )   4.90  3.04  0.10
assign (resid  76 and name HA    )
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assign (resid  76 and name HA    )
       (resid  77 and name HB+   )   4.90  3.04  1.86
assign (resid  76 and name HA    )
       (resid  77 and name HG+   )   4.90  3.04  1.86
assign (resid  76 and name HB    )
       (resid  75 and name HB    )   4.90  3.04  0.10
assign (resid  76 and name HB    )
       (resid  75 and name HG2+  )   4.90  3.04  1.86
assign (resid  76 and name HB    )
       (resid  76 and name HA    )   4.90  3.04  0.10
assign (resid  76 and name HB    )
       (resid  76 and name HG2+  )   4.90  3.04  1.86
assign (resid  76 and name HB    )
       (resid  77 and name HA    )   4.90  3.04  0.10
assign (resid  76 and name HB    )
       (resid  77 and name HB+   )   4.90  3.04  1.86
assign (resid  76 and name HB    )
       (resid  77 and name HG+   )   4.90  3.04  1.86
assign (resid  76 and name HG2+  )
       (resid  78 and name HB+   )   4.90  3.04  3.63
assign (resid  76 and name HG2+  )
       (resid  79 and name HB+   )   4.90  3.04  1.86
assign (resid  76 and name HG2+  )
       (resid  79 and name HB+   )   4.90  3.04  1.86
assign (resid  76 and name HN    )
       (resid  74 and name HA    )   4.90  3.04  -1.40
assign (resid  76 and name HN    )
       (resid  74 and name HB+   )   4.90  3.04  1.86
assign (resid  76 and name HN    )
       (resid  75 and name HA    )   4.90  3.04  -1.40
assign (resid  76 and name HN    )
       (resid  75 and name HB    )   4.90  3.04  -1.40
assign (resid  76 and name HN    )
       (resid  75 and name HD1+  )   4.90  3.04  1.86
assign (resid  76 and name HN    )
       (resid  75 and name HG1+  )   4.90  3.04  1.86
assign (resid  76 and name HN    )
       (resid  75 and name HG2+  )   4.90  3.04  1.86
assign (resid  76 and name HN    )
       (resid  75 and name HN    )   4.90  3.04  -1.40
assign (resid  76 and name HN    )
       (resid  76 and name HA    )   4.90  3.04  0.10
assign (resid  76 and name HN    )
       (resid  76 and name HB    )   4.90  3.04  0.10
assign (resid  76 and name HN    )
       (resid  76 and name HG2+  )   4.90  3.04  1.86
assign (resid  76 and name HN    )
       (resid  77 and name HA    )   4.90  3.04  0.10
assign (resid  76 and name HN    )
       (resid  77 and name HN    )   4.90  3.04  0.10
assign (resid  76 and name HN    )
       (resid  79 and name HA    )   4.90  3.04  0.10
assign (resid  76 and name HN    )
       (resid  79 and name HB+   )   4.90  3.04  -0.40
assign (resid  76 and name HN    )
       (resid  79 and name HB+   )   4.90  3.04  0.10
assign (resid  76 and name HN    )
       (resid  80 and name HA    )   4.90  3.04  0.10
assign (resid  76 and name HN    )
       (resid  80 and name HB+   )   4.90  3.04  1.86
assign (resid  77 and name HA    )
       (resid  74 and name HB+   )   4.90  3.04  1.86
assign (resid  77 and name HA    )
       (resid  74 and name HD+   )   4.90  3.04  1.86
assign (resid  77 and name HA    )
       (resid  74 and name HG+   )   4.90  3.04  1.86
assign (resid  77 and name HA    )
       (resid  77 and name HB+   )   4.90  3.04  1.86
assign (resid  77 and name HA    )
       (resid  77 and name HG+   )   4.90  3.04  1.86
assign (resid  77 and name HA    )
       (resid  78 and name HB+   )   4.90  3.04  1.86
assign (resid  77 and name HB+   )
       (resid  77 and name HG+   )   4.90  3.04  3.63
assign (resid  77 and name HE2+  )
       (resid  77 and name HA    )   4.90  3.04  1.86
assign (resid  77 and name HE2+  )
       (resid  77 and name HG+   )   4.90  3.04  3.63
assign (resid  77 and name HN    )
       (resid  74 and name HA    )   4.90  3.04  -0.90
assign (resid  77 and name HN    )
       (resid  74 and name HB+   )   4.90  3.04  1.86
assign (resid  77 and name HN    )
       (resid  74 and name HG+   )   4.90  3.04  1.86
assign (resid  77 and name HN    )
       (resid  76 and name HA    )   4.90  3.04  -1.40
assign (resid  77 and name HN    )
       (resid  76 and name HB    )   4.90  3.04  0.10
assign (resid  77 and name HN    )
       (resid  76 and name HG2+  )   4.90  3.04  1.86
assign (resid  77 and name HN    )
       (resid  77 and name HA    )   4.90  3.04  -1.40
assign (resid  77 and name HN    )
       (resid  77 and name HB+   )   4.90  3.04  1.86
assign (resid  77 and name HN    )
       (resid  77 and name HG+   )   4.90  3.04  1.86
assign (resid  77 and name HN    )
       (resid  78 and name HA    )   4.90  3.04  0.10
assign (resid  77 and name HN    )
       (resid  78 and name HB+   )   4.90  3.04  1.86
assign (resid  77 and name HN    )
       (resid  79 and name HA    )   4.90  3.04  0.10
assign (resid  77 and name HN    )
       (resid  79 and name HN    )   4.90  3.04  0.10
assign (resid  77 and name HN    )
       (resid  80 and name HA    )   4.90  3.04  0.10
assign (resid  78 and name HA    )
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assign (resid  78 and name HD2+  )
       (resid  77 and name HG+   )   4.90  3.04  3.63
assign (resid  78 and name HD2+  )
       (resid  78 and name HA    )   4.90  3.04  1.86
assign (resid  78 and name HD2+  )
       (resid  78 and name HB+   )   4.90  3.04  3.63
assign (resid  78 and name HN    )
       (resid  76 and name HA    )   4.90  3.04  0.10
assign (resid  78 and name HN    )
       (resid  76 and name HB    )   4.90  3.04  -1.40
assign (resid  78 and name HN    )
       (resid  76 and name HG2+  )   4.90  3.04  1.86
assign (resid  78 and name HN    )
       (resid  76 and name HN    )   4.90  3.04  0.10
assign (resid  78 and name HN    )
       (resid  77 and name HA    )   4.90  3.04  -1.40
assign (resid  78 and name HN    )
       (resid  77 and name HB+   )   4.90  3.04  0.10
assign (resid  78 and name HN    )
       (resid  77 and name HG+   )   4.90  3.04  1.86
assign (resid  78 and name HN    )
       (resid  77 and name HN    )   4.90  3.04  -1.40
assign (resid  78 and name HN    )
       (resid  78 and name HA    )   4.90  3.04  0.10
assign (resid  78 and name HN    )
       (resid  78 and name HB+   )   4.90  3.04  1.86
assign (resid  78 and name HN    )
       (resid  79 and name HA    )   4.90  3.04  0.10
assign (resid  78 and name HN    )
       (resid  79 and name HB+   )   4.90  3.04  1.86
assign (resid  78 and name HN    )
       (resid  79 and name HN    )   4.90  3.04  0.10
assign (resid  79 and name HB+   )
       (resid  75 and name HB    )   4.90  3.04  1.86
assign (resid  79 and name HB+   )
       (resid  75 and name HG2+  )   4.90  3.04  3.63
assign (resid  79 and name HB+   )
       (resid  79 and name HA    )   4.90  3.04  1.86
assign (resid  79 and name HB+   )
       (resid  80 and name HB+   )   4.90  3.04  3.63
assign (resid  79 and name HD2+  )
       (resid  79 and name HB+   )   4.90  3.04  3.63
assign (resid  79 and name HN    )
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assign (resid  79 and name HN    )
       (resid  76 and name HG2+  )   4.90  3.04  1.86
assign (resid  79 and name HN    )
       (resid  77 and name HA    )   4.90  3.04  0.10
assign (resid  79 and name HN    )
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assign (resid  79 and name HN    )
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assign (resid  79 and name HN    )
       (resid  79 and name HA    )   4.90  3.04  0.10
assign (resid  79 and name HN    )
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assign (resid  79 and name HN    )
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assign (resid  79 and name HN    )
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assign (resid  80 and name HA    )
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assign (resid  80 and name HA    )
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assign (resid  80 and name HB+   )
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assign (resid  80 and name HB+   )
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assign (resid  80 and name HB+   )
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assign (resid  80 and name HB+   )
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assign (resid  80 and name HB+   )
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assign (resid  80 and name HB+   )
       (resid  80 and name HA    )   4.90  3.04  1.86
assign (resid  80 and name HB+   )
       (resid  81 and name HG+   )   4.90  3.04  3.63
assign (resid  80 and name HN    )
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assign (resid  80 and name HN    )
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assign (resid  80 and name HN    )
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assign (resid  80 and name HN    )
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assign (resid  80 and name HN    )
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assign (resid  80 and name HN    )
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assign (resid  80 and name HN    )
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assign (resid  80 and name HN    )
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assign (resid  80 and name HN    )
       (resid  80 and name HA    )   4.90  3.04  0.10
assign (resid  80 and name HN    )
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assign (resid  80 and name HN    )
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assign (resid  80 and name HN    )
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assign (resid  81 and name HA    )
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assign (resid  81 and name HA    )
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assign (resid  81 and name HB+   )
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assign (resid  81 and name HB+   )
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assign (resid  81 and name HB+   )
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assign (resid  81 and name HB+   )
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assign (resid  81 and name HB+   )
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assign (resid  81 and name HB+   )
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assign (resid  81 and name HB+   )
       (resid  80 and name HB+   )   4.90  3.04  3.63
assign (resid  81 and name HB+   )
       (resid  81 and name HA    )   4.90  3.04  1.86
assign (resid  81 and name HB+   )
       (resid  81 and name HG+   )   4.90  3.04  3.63
assign (resid  81 and name HB+   )
       (resid  83 and name HB    )   4.90  3.04  1.86
assign (resid  81 and name HG+   )
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assign (resid  81 and name HG+   )
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assign (resid  81 and name HG+   )
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assign (resid  81 and name HG+   )
       (resid  81 and name HA    )   4.90  3.04  1.86
assign (resid  81 and name HG+   )
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assign (resid  81 and name HG+   )
       (resid  82 and name HG+   )   4.90  3.04  3.63
assign (resid  81 and name HG+   )
       (resid  83 and name HB    )   4.90  3.04  1.86
assign (resid  81 and name HG+   )
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assign (resid  81 and name HN    )
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assign (resid  81 and name HN    )
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assign (resid  81 and name HN    )
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assign (resid  81 and name HN    )
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assign (resid  81 and name HN    )
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assign (resid  81 and name HN    )
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assign (resid  81 and name HN    )
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assign (resid  81 and name HN    )
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assign (resid  81 and name HN    )
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assign (resid  81 and name HN    )
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assign (resid  81 and name HN    )
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assign (resid  81 and name HN    )
       (resid  75 and name HG2+  )   4.90  3.04  1.86
assign (resid  81 and name HN    )
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assign (resid  81 and name HN    )
       (resid  80 and name HB+   )   4.90  3.04  1.86
assign (resid  81 and name HN    )
       (resid  80 and name HN    )   4.90  3.04  0.10
assign (resid  81 and name HN    )
       (resid  81 and name HA    )   4.90  3.04  0.10
assign (resid  81 and name HN    )
       (resid  81 and name HB+   )   4.90  3.04  1.86
assign (resid  81 and name HN    )
       (resid  81 and name HG+   )   4.90  3.04  1.86
assign (resid  81 and name HN    )
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assign (resid  81 and name HN    )
       (resid  82 and name HN    )   4.90  3.04  0.10
assign (resid  82 and name HB+   )
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assign (resid  82 and name HB+   )
       (resid  81 and name HA    )   4.90  3.04  1.86
assign (resid  82 and name HB+   )
       (resid  81 and name HB+   )   4.90  3.04  3.63
assign (resid  82 and name HB+   )
       (resid  82 and name HA    )   4.90  3.04  1.86
assign (resid  82 and name HB+   )
       (resid  82 and name HD+   )   4.90  3.04  3.63
assign (resid  82 and name HB+   )
       (resid  82 and name HE+   )   4.90  3.04  3.63
assign (resid  82 and name HB+   )
       (resid  82 and name HG+   )   4.90  3.04  3.63
assign (resid  82 and name HE+   )
       (resid  20 and name HB+   )   4.90  3.04  3.63
assign (resid  82 and name HE+   )
       (resid  81 and name HG+   )   4.90  3.04  3.63
assign (resid  82 and name HE+   )
       (resid  82 and name HA    )   4.90  3.04  1.86
assign (resid  82 and name HE+   )
       (resid  82 and name HD+   )   4.90  3.04  3.63
assign (resid  82 and name HE+   )
       (resid  84 and name HB+   )   4.90  3.04  3.63
assign (resid  82 and name HG+   )
       (resid  20 and name HB+   )   4.90  3.04  3.63
assign (resid  82 and name HG+   )
       (resid  81 and name HA    )   4.90  3.04  1.86
assign (resid  82 and name HG+   )
       (resid  81 and name HB+   )   4.90  3.04  3.63
assign (resid  82 and name HG+   )
       (resid  82 and name HA    )   4.90  3.04  1.86
assign (resid  82 and name HG+   )
       (resid  82 and name HD+   )   4.90  3.04  3.63
assign (resid  82 and name HG+   )
       (resid  82 and name HE+   )   4.90  3.04  3.63
assign (resid  82 and name HN    )
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assign (resid  82 and name HN    )
       (resid  20 and name HA    )   4.90  3.04  0.10
assign (resid  82 and name HN    )
       (resid  20 and name HB+   )   4.90  3.04  1.86
assign (resid  82 and name HN    )
       (resid  81 and name HA    )   4.90  3.04  0.10
assign (resid  82 and name HN    )
       (resid  81 and name HB+   )   4.90  3.04  1.86
assign (resid  82 and name HN    )
       (resid  81 and name HG+   )   4.90  3.04  1.86
assign (resid  82 and name HN    )
       (resid  82 and name HA    )   4.90  3.04  0.10
assign (resid  82 and name HN    )
       (resid  82 and name HB+   )   4.90  3.04  1.86
assign (resid  82 and name HN    )
       (resid  82 and name HD+   )   4.90  3.04  1.86
assign (resid  82 and name HN    )
       (resid  82 and name HE+   )   4.90  3.04  1.86
assign (resid  82 and name HN    )
       (resid  82 and name HG+   )   4.90  3.04  1.86
assign (resid  83 and name HB    )
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assign (resid  83 and name HB    )
       (resid  16 and name HD++  )   4.90  3.04  4.76
assign (resid  83 and name HB    )
       (resid  83 and name HA    )   4.90  3.04  0.10
assign (resid  83 and name HB    )
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assign (resid  83 and name HB    )
       (resid  83 and name HG2+  )   4.90  3.04  1.86
assign (resid  83 and name HD1+  )
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assign (resid  83 and name HD1+  )
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assign (resid  83 and name HD1+  )
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assign (resid  83 and name HD1+  )
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assign (resid  83 and name HD1+  )
       (resid  67 and name HD+   )   4.90  3.04  3.63
assign (resid  83 and name HD1+  )
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assign (resid  83 and name HD1+  )
       (resid  70 and name HD++  )   4.90  3.04  6.52
assign (resid  83 and name HD1+  )
       (resid  71 and name HA    )   4.90  3.04  1.86
assign (resid  83 and name HD1+  )
       (resid  81 and name HB+   )   4.90  3.04  3.63
assign (resid  83 and name HD1+  )
       (resid  81 and name HG+   )   4.90  3.04  3.63
assign (resid  83 and name HD1+  )
       (resid  83 and name HA    )   4.90  3.04  1.86
assign (resid  83 and name HD1+  )
       (resid  83 and name HB    )   4.90  3.04  1.86
assign (resid  83 and name HG2+  )
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assign (resid  83 and name HG2+  )
       (resid  16 and name HB+   )   4.90  3.04  3.63
assign (resid  83 and name HG2+  )
       (resid  16 and name HD++  )   4.90  3.04  6.52
assign (resid  83 and name HG2+  )
       (resid  16 and name HG    )   4.90  3.04  1.86
assign (resid  83 and name HG2+  )
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assign (resid  83 and name HG2+  )
       (resid  70 and name HD++  )   4.90  3.04  6.52
assign (resid  83 and name HG2+  )
       (resid  83 and name HA    )   4.90  3.04  1.86
assign (resid  83 and name HG2+  )
       (resid  83 and name HD1+  )   4.90  3.04  3.63
assign (resid  83 and name HG2+  )
       (resid  83 and name HG1+  )   4.90  3.04  3.63
assign (resid  83 and name HG2+  )
       (resid  84 and name HB+   )   4.90  3.04  3.63
assign (resid  83 and name HN    )
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assign (resid  83 and name HN    )
       (resid  18 and name HD++  )   4.90  3.04  4.76
assign (resid  83 and name HN    )
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assign (resid  83 and name HN    )
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assign (resid  83 and name HN    )
       (resid  82 and name HA    )   4.90  3.04  0.10
assign (resid  83 and name HN    )
       (resid  82 and name HB+   )   4.90  3.04  1.86
assign (resid  83 and name HN    )
       (resid  82 and name HG+   )   4.90  3.04  1.86
assign (resid  83 and name HN    )
       (resid  82 and name HN    )   4.90  3.04  0.10
assign (resid  83 and name HN    )
       (resid  83 and name HA    )   4.90  3.04  0.10
assign (resid  83 and name HN    )
       (resid  83 and name HB    )   4.90  3.04  0.10
assign (resid  83 and name HN    )
       (resid  83 and name HD1+  )   4.90  3.04  1.86
assign (resid  83 and name HN    )
       (resid  83 and name HG2+  )   4.90  3.04  1.86
assign (resid  84 and name HB+   )
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assign (resid  84 and name HB+   )
       (resid  18 and name HB+   )   4.90  3.04  1.86
assign (resid  84 and name HB+   )
       (resid  84 and name HA    )   4.90  3.04  1.86
assign (resid  84 and name HB+   )
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assign (resid  84 and name HN    )
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assign (resid  84 and name HN    )
       (resid  17 and name HA    )   4.90  3.04  0.10
assign (resid  84 and name HN    )
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assign (resid  84 and name HN    )
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assign (resid  84 and name HN    )
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assign (resid  84 and name HN    )
       (resid  18 and name HB+   )   4.90  3.04  1.86
assign (resid  84 and name HN    )
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assign (resid  84 and name HN    )
       (resid  18 and name HD++  )   4.90  3.04  3.62
assign (resid  84 and name HN    )
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assign (resid  84 and name HN    )
       (resid  83 and name HA    )   4.90  3.04  0.10
assign (resid  84 and name HN    )
       (resid  83 and name HB    )   4.90  3.04  0.10
assign (resid  84 and name HN    )
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assign (resid  84 and name HN    )
       (resid  83 and name HG1+  )   4.90  3.04  1.86
assign (resid  84 and name HN    )
       (resid  83 and name HG2+  )   4.90  3.04  1.86
assign (resid  84 and name HN    )
       (resid  83 and name HN    )   4.90  3.04  0.10
assign (resid  84 and name HN    )
       (resid  84 and name HA    )   4.90  3.04  0.10
assign (resid  84 and name HN    )
       (resid  84 and name HB+   )   4.90  3.04  1.86
assign (resid  85 and name HA    )
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assign (resid  85 and name HA    )
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assign (resid  85 and name HA    )
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assign (resid  85 and name HA    )
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assign (resid  85 and name HA    )
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assign (resid  85 and name HB+   )
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assign (resid  85 and name HB+   )
       (resid  16 and name HD++  )   4.90  3.04  6.52
assign (resid  85 and name HB+   )
       (resid  85 and name HA    )   4.90  3.04  1.86
assign (resid  85 and name HB+   )
       (resid  86 and name HB+   )   4.90  3.04  3.63
assign (resid  85 and name HD+   )
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assign (resid  85 and name HD+   )
       (resid  13 and name HB+   )   4.90  3.04  4.40
assign (resid  85 and name HD+   )
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assign (resid  85 and name HD+   )
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assign (resid  85 and name HD+   )
       (resid  16 and name HB+   )   4.90  3.04  6.10
assign (resid  85 and name HD+   )
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assign (resid  85 and name HD+   )
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assign (resid  85 and name HD+   )
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assign (resid  85 and name HD+   )
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assign (resid  85 and name HD+   )
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assign (resid  85 and name HD+   )
       (resid  67 and name HG+   )   4.90  3.04  6.10
assign (resid  85 and name HD+   )
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assign (resid  85 and name HD+   )
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assign (resid  85 and name HD+   )
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assign (resid  85 and name HD+   )
       (resid  85 and name HE+   )   4.90  3.04  4.40
assign (resid  85 and name HD+   )
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assign (resid  85 and name HE+   )
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assign (resid  85 and name HE+   )
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assign (resid  85 and name HE+   )
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assign (resid  85 and name HE+   )
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assign (resid  85 and name HN    )
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assign (resid  85 and name HN    )
       (resid  13 and name HD2+  )   4.90  3.04  1.86
assign (resid  85 and name HN    )
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assign (resid  85 and name HN    )
       (resid  16 and name HG    )   4.90  3.04  0.10
assign (resid  85 and name HN    )
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assign (resid  85 and name HN    )
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assign (resid  85 and name HN    )
       (resid  84 and name HA    )   4.90  3.04  0.10
assign (resid  85 and name HN    )
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assign (resid  85 and name HN    )
       (resid  84 and name HB+   )   4.90  3.04  0.10
assign (resid  85 and name HN    )
       (resid  85 and name HB+   )   4.90  3.04  0.10
assign (resid  85 and name HN    )
       (resid  85 and name HB+   )   4.90  3.04  0.10
assign (resid  85 and name HN    )
       (resid  85 and name HD+   )   4.90  3.04  4.40
assign (resid  85 and name HN    )
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assign (resid  86 and name HA    )
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assign (resid  86 and name HA    )
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assign (resid  86 and name HB+   )
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assign (resid  86 and name HB+   )
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assign (resid  86 and name HB+   )
       (resid  15 and name HG2+  )   4.90  3.04  3.63
assign (resid  86 and name HB+   )
       (resid  15 and name HN    )   4.90  3.04  1.86
assign (resid  86 and name HB+   )
       (resid  16 and name HA    )   4.90  3.04  1.86
assign (resid  86 and name HB+   )
       (resid  17 and name HB+   )   4.90  3.04  3.63
assign (resid  86 and name HB+   )
       (resid  85 and name HA    )   4.90  3.04  1.86
assign (resid  86 and name HB+   )
       (resid  86 and name HA    )   4.90  3.04  1.86
assign (resid  86 and name HB+   )
       (resid  87 and name HA    )   4.90  3.04  1.86
assign (resid  86 and name HB+   )
       (resid  87 and name HB+   )   4.90  3.04  3.63
assign (resid  86 and name HN    )
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assign (resid  86 and name HN    )
       (resid  13 and name HD2+  )   4.90  3.04  1.86
assign (resid  86 and name HN    )
       (resid  16 and name HD++  )   4.90  3.04  4.76
assign (resid  86 and name HN    )
       (resid  17 and name HN    )   4.90  3.04  0.10
assign (resid  86 and name HN    )
       (resid  85 and name HB+   )   4.90  3.04  0.10
assign (resid  86 and name HN    )
       (resid  85 and name HB+   )   4.90  3.04  0.10
assign (resid  86 and name HN    )
       (resid  85 and name HD+   )   4.90  3.04  4.40
assign (resid  86 and name HN    )
       (resid  86 and name HA    )   4.90  3.04  0.10
assign (resid  86 and name HN    )
       (resid  86 and name HB+   )   4.90  3.04  1.86
assign (resid  87 and name HA    )
       (resid  87 and name HB+   )   4.90  3.04  1.86
assign (resid  87 and name HA    )
       (resid  87 and name HE+   )   4.90  3.04  1.86
assign (resid  87 and name HD+   )
       (resid  87 and name HA    )   4.90  3.04  1.86
assign (resid  87 and name HD+   )
       (resid  87 and name HB+   )   4.90  3.04  3.63
assign (resid  87 and name HD+   )
       (resid  87 and name HE+   )   4.90  3.04  3.63
assign (resid  87 and name HD+   )
       (resid  87 and name HG+   )   4.90  3.04  3.63
assign (resid  87 and name HG+   )
       (resid  87 and name HA    )   4.90  3.04  1.86
assign (resid  87 and name HN    )
       (resid  10 and name HD2+  )   4.90  3.04  1.86
assign (resid  87 and name HN    )
       (resid  13 and name HB+   )   4.90  3.04  1.86
assign (resid  87 and name HN    )
       (resid  13 and name HD2+  )   4.90  3.04  1.86
assign (resid  87 and name HN    )
       (resid  85 and name HB+   )   4.90  3.04  1.86
assign (resid  87 and name HN    )
       (resid  86 and name HA    )   4.90  3.04  0.10
assign (resid  87 and name HN    )
       (resid  86 and name HB+   )   4.90  3.04  1.86
assign (resid  87 and name HN    )
       (resid  87 and name HA    )   4.90  3.04  0.10
assign (resid  87 and name HN    )
       (resid  87 and name HB+   )   4.90  3.04  1.86
assign (resid  87 and name HN    )
       (resid  87 and name HD+   )   4.90  3.04  1.86
assign (resid  87 and name HN    )
       (resid  87 and name HE+   )   4.90  3.04  1.86
assign (resid  87 and name HN    )
       (resid  87 and name HG+   )   4.90  3.04  1.86
assign (resid  87 and name HN    )
       (resid  88 and name HN    )   4.90  3.04  0.10
assign (resid  88 and name HA    )
       (resid  87 and name HB+   )   4.90  3.04  1.86
assign (resid  88 and name HA    )
       (resid  88 and name HD+   )   4.90  3.04  1.86
assign (resid  88 and name HB+   )
       (resid  87 and name HA    )   4.90  3.04  1.86
assign (resid  88 and name HB+   )
       (resid  87 and name HG+   )   4.90  3.04  3.63
assign (resid  88 and name HB+   )
       (resid  88 and name HA    )   4.90  3.04  1.86
assign (resid  88 and name HB+   )
       (resid  88 and name HD+   )   4.90  3.04  3.63
assign (resid  88 and name HB+   )
       (resid  88 and name HE+   )   4.90  3.04  3.63
assign (resid  88 and name HB+   )
       (resid  88 and name HG+   )   4.90  3.04  3.63
assign (resid  88 and name HE+   )
       (resid  88 and name HA    )   4.90  3.04  1.86
assign (resid  88 and name HE+   )
       (resid  88 and name HD+   )   4.90  3.04  3.63
assign (resid  88 and name HE+   )
       (resid  88 and name HG+   )   4.90  3.04  3.63
assign (resid  88 and name HG+   )
       (resid  88 and name HA    )   4.90  3.04  1.86
assign (resid  88 and name HG+   )
       (resid  88 and name HD+   )   4.90  3.04  3.63
assign (resid  88 and name HN    )
       (resid  87 and name HA    )   4.90  3.04  0.10
assign (resid  88 and name HN    )
       (resid  87 and name HB+   )   4.90  3.04  1.86
assign (resid  88 and name HN    )
       (resid  87 and name HD+   )   4.90  3.04  1.86
assign (resid  88 and name HN    )
       (resid  87 and name HG+   )   4.90  3.04  1.86
assign (resid  88 and name HN    )
       (resid  88 and name HA    )   4.90  3.04  0.10
assign (resid  88 and name HN    )
       (resid  88 and name HB+   )   4.90  3.04  0.10
assign (resid  88 and name HN    )
       (resid  88 and name HB+   )   4.90  3.04  0.10
assign (resid  88 and name HN    )
       (resid  88 and name HD+   )   4.90  3.04  0.10
assign (resid  88 and name HN    )
       (resid  88 and name HD+   )   4.90  3.04  0.10
assign (resid  88 and name HN    )
       (resid  88 and name HE+   )   4.90  3.04  1.86
assign (resid  88 and name HN    )
       (resid  88 and name HG+   )   4.90  3.04  1.86
assign (resid   8 and name HB+   )
       (resid   8 and name HA    )   4.90  3.04  1.86
assign (resid   8 and name HB+   )
       (resid   9 and name HA    )   4.90  3.04  1.86
assign (resid   8 and name HN    )
       (resid   8 and name HA    )   4.90  3.04  0.10
assign (resid   8 and name HN    )
       (resid   8 and name HB+   )   4.90  3.04  1.86
assign (resid   9 and name HA    )
       (resid   9 and name HB+   )   4.90  3.04  1.86
assign (resid   9 and name HA    )
       (resid   9 and name HG+   )   4.90  3.04  1.86
assign (resid   9 and name HG+   )
       (resid   9 and name HB+   )   4.90  3.04  3.63
{H-bonds constraints}
assign (resid  16 and name HN    )
       (resid  55 and name O     )   4.90  3.10  -2.90
assign (resid  16 and name N     )
       (resid  55 and name O     )   4.90  2.20  -1.90
assign (resid  17 and name HN    )
       (resid  84 and name O     )   4.90  3.10  -2.90
assign (resid  17 and name N     )
       (resid  84 and name O     )   4.90  2.20  -1.90
assign (resid  18 and name HN    )
       (resid  53 and name O     )   4.90  3.10  -2.90
assign (resid  18 and name N     )
       (resid  53 and name O     )   4.90  2.20  -1.90
assign (resid  26 and name O     )
       (resid  30 and name HN    )   4.90  3.10  -2.90
assign (resid  26 and name O     )
       (resid  30 and name N     )   4.90  2.20  -1.90
assign (resid  26 and name OD1   )
       (resid  29 and name HN    )   4.90  3.10  -2.90
assign (resid  27 and name O     )
       (resid  31 and name HN    )   4.90  3.10  -2.90
assign (resid  27 and name O     )
       (resid  31 and name N     )   4.90  2.20  -1.90
assign (resid  28 and name O     )
       (resid  32 and name HN    )   4.90  3.10  -2.90
assign (resid  28 and name O     )
       (resid  32 and name N     )   4.90  2.20  -1.90
assign (resid  29 and name O     )
       (resid  33 and name HN    )   4.90  3.10  -2.90
assign (resid  29 and name O     )
       (resid  33 and name N     )   4.90  2.20  -1.90
assign (resid  30 and name O     )
       (resid  34 and name HN    )   4.90  3.10  -2.90
assign (resid  30 and name O     )
       (resid  34 and name N     )   4.90  2.20  -1.90
assign (resid  31 and name O     )
       (resid  35 and name HN    )   4.90  3.10  -2.90
assign (resid  31 and name O     )
       (resid  35 and name N     )   4.90  2.20  -1.90
assign (resid  32 and name O     )
       (resid  36 and name HN    )   4.90  3.10  -2.90
assign (resid  40 and name HN    )
       (resid  37 and name O     )   4.90  3.10  -2.90
assign (resid  42 and name HN    )
       (resid  56 and name O     )   4.90  3.10  -2.90
assign (resid  42 and name N     )
       (resid  56 and name O     )   4.90  2.20  -1.90
assign (resid  44 and name HN    )
       (resid  54 and name O     )   4.90  3.10  -2.90
assign (resid  44 and name N     )
       (resid  54 and name O     )   4.90  2.20  -1.90
assign (resid  53 and name HN    )
       (resid  18 and name O     )   4.90  3.10  -2.90
assign (resid  53 and name N     )
       (resid  18 and name O     )   4.90  2.20  -1.90
assign (resid  54 and name HN    )
       (resid  44 and name O     )   4.90  3.10  -2.90
assign (resid  54 and name N     )
       (resid  44 and name O     )   4.90  2.20  -1.90
assign (resid  55 and name HN    )
       (resid  16 and name O     )   4.90  3.10  -2.90
assign (resid  55 and name N     )
       (resid  16 and name O     )   4.90  2.20  -1.90
assign (resid  56 and name HN    )
       (resid  42 and name O     )   4.90  3.10  -2.90
assign (resid  56 and name N     )
       (resid  42 and name O     )   4.90  2.20  -1.90
assign (resid  57 and name HN    )
       (resid  14 and name O     )   4.90  3.10  -2.90
assign (resid  57 and name N     )
       (resid  14 and name O     )   4.90  2.20  -1.90
assign (resid  59 and name O     )
       (resid  63 and name HN    )   4.90  3.10  -2.90
assign (resid  59 and name O     )
       (resid  63 and name N     )   4.90  2.20  -1.90
assign (resid  59 and name OD1   )
       (resid  62 and name HN    )   4.90  3.10  -2.90
assign (resid  59 and name OD1   )
       (resid  62 and name N     )   4.90  2.20  -1.90
assign (resid  60 and name O     )
       (resid  64 and name HN    )   4.90  3.10  -2.90
assign (resid  60 and name O     )
       (resid  64 and name N     )   4.90  2.20  -1.90
assign (resid  61 and name O     )
       (resid  65 and name HN    )   4.90  3.10  -2.90
assign (resid  61 and name O     )
       (resid  65 and name N     )   4.90  2.20  -1.90
assign (resid  62 and name O     )
       (resid  66 and name HN    )   4.90  3.10  -2.90
assign (resid  62 and name O     )
       (resid  66 and name N     )   4.90  2.20  -1.90
assign (resid  62 and name OE1   )
       (resid  59 and name HN    )   4.90  3.10  -2.90
assign (resid  62 and name OE1   )
       (resid  59 and name N     )   4.90  2.20  -1.90
assign (resid  63 and name O     )
       (resid  67 and name HN    )   4.90  3.10  -2.90
assign (resid  63 and name O     )
       (resid  67 and name N     )   4.90  2.20  -1.90
assign (resid  64 and name O     )
       (resid  68 and name HN    )   4.90  3.10  -2.90
assign (resid  64 and name O     )
       (resid  68 and name N     )   4.90  2.20  -1.90
assign (resid  65 and name O     )
       (resid  69 and name HN    )   4.90  3.10  -2.90
assign (resid  65 and name O     )
       (resid  69 and name N     )   4.90  2.20  -1.90
assign (resid  66 and name O     )
       (resid  70 and name HN    )   4.90  3.10  -2.90
assign (resid  66 and name O     )
       (resid  70 and name N     )   4.90  2.20  -1.90
assign (resid  76 and name HN    )
       (resid  79 and name O     )   4.90  3.10  -2.90
assign (resid  81 and name HN    )
       (resid  73 and name O     )   4.90  3.10  -2.90
assign (resid  81 and name N     )
       (resid  73 and name O     )   4.90  2.20  -1.90
assign (resid  82 and name HN    )
       (resid  19 and name O     )   4.90  3.10  -2.90
assign (resid  82 and name N     )
       (resid  19 and name O     )   4.90  2.20  -1.90
assign (resid  82 and name O     )
       (resid  19 and name HN    )   4.90  3.10  -2.90
assign (resid  82 and name O     )
       (resid  19 and name N     )   4.90  2.20  -1.90
assign (resid  84 and name HN    )
       (resid  17 and name O     )   4.90  3.10  -2.90
assign (resid  84 and name N     )
       (resid  17 and name O     )   4.90  2.20  -1.90
{  Dihedral Constraints } 
{ phi}
constraints
  dihedral
 
    reset
 
    scale     1.00
     assign (resid    14   and name C     ) (resid    15   and name N     )
      (resid    15   and name CA    ) (resid    15   and name C     )  1  -135.00    55.00 2
     assign (resid    15   and name C     ) (resid    16   and name N     )
      (resid    16   and name CA    ) (resid    16   and name C     )  1  -135.00    55.00 2
     assign (resid    16   and name C     ) (resid    17   and name N     )
      (resid    17   and name CA    ) (resid    17   and name C     )  1  -135.00    55.00 2
     assign (resid    17   and name C     ) (resid    18   and name N     )
      (resid    18   and name CA    ) (resid    18   and name C     )  1  -135.00    55.00 2
     assign (resid    18   and name C     ) (resid   19   and name N     )
      (resid   19   and name CA    ) (resid   19   and name C     )  1  -135.00    55.00 2
     assign (resid   26   and name C     ) (resid   27   and name N     )
      (resid   27   and name CA    ) (resid   27   and name C     )  1  -60.00    20.00 2
     assign (resid   27   and name C     ) (resid   28   and name N     )
      (resid   28   and name CA    ) (resid   28   and name C     )  1  -60.00    20.00 2
     assign (resid   28   and name C     ) (resid   29   and name N     )
      (resid   29   and name CA    ) (resid   29   and name C     )  1   -60.00    20.00 2
     assign (resid   29   and name C     ) (resid   30   and name N     )
      (resid   30   and name CA    ) (resid   30   and name C     )  1   -60.00    20.00 2
     assign (resid   30   and name C     ) (resid   31   and name N     )
      (resid   31   and name CA    ) (resid   31   and name C     )  1   -60.00    20.00 2
     assign (resid   31   and name C     ) (resid   32   and name N     )
      (resid   32   and name CA    ) (resid   32   and name C     )  1   -60.00    20.00 2
     assign (resid   32   and name C     ) (resid   33   and name N     )
      (resid   33   and name CA    ) (resid   33   and name C     )  1   -60.00    20.00 2
     assign (resid   33   and name C     ) (resid   34   and name N     )
      (resid   34   and name CA    ) (resid   34   and name C     )  1   -60.00    20.00 2
     assign (resid   34   and name C     ) (resid   35   and name N     )
      (resid   35   and name CA    ) (resid   35   and name C     )  1   -60.00    20.00 2
     assign (resid   41   and name C     ) (resid   42   and name N     )
      (resid   42   and name CA    ) (resid   42   and name C     )  1  -135.00    55.00 2
     assign (resid   42   and name C     ) (resid   43   and name N     )
      (resid   43   and name CA    ) (resid   43   and name C     )  1  -135.00    55.00 2
     assign (resid   43   and name C     ) (resid   44   and name N     )
      (resid   44   and name CA    ) (resid   44   and name C     )  1  -135.00    55.00 2
     assign (resid   44   and name C     ) (resid   45   and name N     )
      (resid   45   and name CA    ) (resid   45   and name C     )  1  -135.00    55.00 2
     assign (resid  51   and name C     ) (resid   52   and name N     )
      (resid   52   and name CA    ) (resid   52   and name C     )  1  -135.00    55.00 2
     assign (resid   52   and name C     ) (resid   53   and name N     )
      (resid   53   and name CA    ) (resid   53   and name C     )  1  -135.00    55.00 2
     assign (resid   53   and name C     ) (resid   54   and name N     )
      (resid   54   and name CA    ) (resid   54   and name C     )  1  -135.00    55.00 2
     assign (resid   54   and name C     ) (resid   55   and name N     )
      (resid   55   and name CA    ) (resid   55   and name C     )  1  -135.00    55.00 2
     assign (resid   55   and name C     ) (resid   56   and name N     )
      (resid   56   and name CA    ) (resid   56   and name C     )  1  -135.00    55.00 2
     assign (resid   56   and name C     ) (resid   57   and name N     )
      (resid   57   and name CA    ) (resid   57   and name C     )  1  -135.00    55.00 2
     assign (resid   59   and name C     ) (resid   60   and name N     )
      (resid   60   and name CA    ) (resid   60   and name C     )  1   -60.00    20.00 2
     assign (resid   60   and name C     ) (resid   61   and name N     )
      (resid   61   and name CA    ) (resid   61   and name C     )  1   -60.00    20.00 2
     assign (resid   61   and name C     ) (resid   62   and name N     )
      (resid   62   and name CA    ) (resid   62   and name C     )  1   -60.00    20.00 2
     assign (resid   62   and name C     ) (resid   63   and name N     )
      (resid   63   and name CA    ) (resid   63   and name C     )  1   -60.00    20.00 2
     assign (resid   63   and name C     ) (resid   64   and name N     )
      (resid   64   and name CA    ) (resid   64   and name C     )  1   -60.00    20.00 2
     assign (resid   64   and name C     ) (resid   65   and name N     )
      (resid   65   and name CA    ) (resid   65   and name C     )  1   -60.00    20.00 2
     assign (resid   65   and name C     ) (resid   66   and name N     )
      (resid   66   and name CA    ) (resid   66   and name C     )  1   -60.00    20.00 2
     assign (resid   66   and name C     ) (resid   67   and name N     )
      (resid   67   and name CA    ) (resid   67   and name C     )  1   -60.00    20.00 2
     assign (resid   67   and name C     ) (resid   68   and name N     )
      (resid   68   and name CA    ) (resid   68   and name C     )  1   -60.00    20.00 2
     assign (resid   67   and name C     ) (resid   68   and name N     )
      (resid   68   and name CA    ) (resid   68   and name C     )  1   -60.00    20.00 2
     assign (resid   68   and name C     ) (resid   69   and name N     )
      (resid   69   and name CA    ) (resid   69   and name C     )  1   -60.00    20.00 2
     assign (resid   69   and name C     ) (resid   70   and name N     )
      (resid   70   and name CA    ) (resid   70   and name C     )  1   -60.00    20.00 2
     assign (resid   81   and name C     ) (resid   82   and name N     )
      (resid   82   and name CA    ) (resid   82   and name C     )  1  -135.00    55.00 2
     assign (resid   82   and name C     ) (resid   83   and name N     )
      (resid   83   and name CA    ) (resid   83   and name C     )  1  -135.00    55.00 2
     assign (resid   83   and name C     ) (resid   84   and name N     )
      (resid   84   and name CA    ) (resid   84   and name C     )  1  -135.00    55.00 2
     assign (resid   84   and name C     ) (resid   85   and name N     )
      (resid   85   and name CA    ) (resid   85   and name C     )  1  -135.00    55.00 2
     assign (resid   15   and name N     ) (resid    15   and name CA    )
      (resid    15   and name C     ) (resid    16   and name N     )  1   135.00    45.00 2
     assign (resid    16   and name N     ) (resid    16   and name CA    )
      (resid    16   and name C     ) (resid    17   and name N     )  1   135.00    45.00 2
     assign (resid    17   and name N     ) (resid    17   and name CA    )
      (resid    17   and name C     ) (resid    18   and name N     )  1   135.00    45.00 2
     assign (resid    18   and name N     ) (resid    18   and name CA    )
      (resid    18   and name C     ) (resid    19   and name N     )  1   135.00    45.00 2
     assign (resid   19   and name N     ) (resid   19   and name CA    )
      (resid   19   and  name C     ) (resid   20   and name N     )   1   135.00    45.00 2
     assign (resid   27   and name N     ) (resid   27   and name CA    )
      (resid   27   and name C     ) (resid   28   and name N     )  1   -40.00    20.00 2
     assign (resid   28   and name N     ) (resid   28   and name CA    )
      (resid   28   and name C     ) (resid   29   and name N     )  1   -40.00    20.00 2
     assign (resid   29   and name N     ) (resid   29   and name CA    )
      (resid   29   and name C     ) (resid   30   and name N     )  1   -40.00    20.00 2
     assign (resid   30   and name N     ) (resid   30   and name CA    )
      (resid   30   and name C     ) (resid   31   and name N     )  1   -40.00    20.00 2
     assign (resid   31   and name N     ) (resid   31   and name CA    )
      (resid   31   and name C     ) (resid   32   and name N     )  1   -40.00    20.00 2
     assign (resid   32   and name N     ) (resid   32   and name CA    )
      (resid   32   and name C     ) (resid   33   and name N     )  1   -40.00    20.00 2
     assign (resid   33   and name N     ) (resid   33   and name CA    )
      (resid   33   and name C     ) (resid   34   and name N     )  1   -40.00    20.00 2
     assign (resid   34   and name N     ) (resid   34   and name CA    )
      (resid   34   and name C     ) (resid   35   and name N     )  1   -40.00    20.00 2
     assign (resid   35   and name N     ) (resid   35   and name CA    )
      (resid   35   and name C     ) (resid   36   and name N     )  1   -40.00    20.00 2
     assign (resid   43   and name N     ) (resid   43   and name CA    )
      (resid   43   and name C     ) (resid   44   and name N     )  1   135.00    45.00 2
     assign (resid   44   and name N     ) (resid   44   and name CA    )
      (resid   44   and name C     ) (resid   45   and name N     )  1   135.00    45.00 2
     assign (resid   45   and name N     ) (resid   45   and name CA    )
      (resid   45   and name C     ) (resid   46   and name N     )  1   135.00    45.00 2
     assign (resid   52   and name N     ) (resid   52   and name CA    )
      (resid   52   and name C     ) (resid   53   and name N     )  1   135.00    45.00 2
     assign (resid   53   and name N     ) (resid   53   and name CA    )
      (resid   53   and name C     ) (resid   54   and name N     )  1   135.00    45.00 2
     assign (resid   54   and name N     ) (resid   54   and name CA    )
      (resid   54   and name C     ) (resid   55   and name N     )  1   135.00    45.00 2
     assign (resid   55   and name N     ) (resid   55   and name CA    )
      (resid   55   and name C     ) (resid   56   and name N     )  1   135.00    45.00 2
     assign (resid   56   and name N     ) (resid   56   and name CA    )
      (resid   56   and name C     ) (resid   57   and name N     )  1   135.00    45.00 2
     assign (resid   57   and name N     ) (resid   57   and name CA    )
      (resid   57   and name C     ) (resid   58   and name N     )  1   135.00    45.00 2
     assign (resid   60   and name N     ) (resid   60   and name CA    )
      (resid   60   and name C     ) (resid   61   and name N     )  1   -40.00    20.00 2
     assign (resid   61   and name N     ) (resid   61   and name CA    )
      (resid   61   and name C     ) (resid   62   and name N     )  1   -40.00    20.00 2
     assign (resid   62   and name N     ) (resid   62   and name CA    )
      (resid   62   and name C     ) (resid   63   and name N     )  1   -40.00    20.00 2
     assign (resid   63   and name N     ) (resid   63   and name CA    )
      (resid   63   and name C     ) (resid   64   and name N     )  1   -40.00    20.00 2
     assign (resid   64   and name N     ) (resid   64   and name CA    )
      (resid   64   and name C     ) (resid   65   and name N     )  1   -40.00    20.00 2
     assign (resid   65   and name N     ) (resid   65   and name CA    )
      (resid   65   and name C     ) (resid   66   and name N     )  1   -40.00    20.00 2
     assign (resid   66   and name N     ) (resid   66   and name CA    )
      (resid   66   and name C     ) (resid   67   and name N     )  1   -40.00    20.00 2
     assign (resid   67   and name N     ) (resid   67   and name CA    )
      (resid   67   and name C     ) (resid   68   and name N     )  1   -40.00    20.00 2
     assign (resid   68   and name N     ) (resid   68   and name CA    )
      (resid   68   and name C     ) (resid   69   and name N     )  1   -40.00    20.00 2
     assign (resid   69   and name N     ) (resid   69   and name CA    )
      (resid   69   and name C     ) (resid   70   and name N     )  1   -40.00    20.00 2
     assign (resid   82   and name N     ) (resid   82   and name CA    )
      (resid   82   and name C     ) (resid   83   and name N     )  1   135.00    45.00 2
     assign (resid   83   and name N     ) (resid   83   and name CA    )
      (resid   83   and name C     ) (resid   84   and name N     )  1   135.00    45.00 2
     assign (resid   84   and name N     ) (resid   84   and name CA    )
      (resid   84   and name C     ) (resid   85   and name N     )  1   135.00    45.00 2
     assign (resid   85   and name N     ) (resid   85   and name CA    )
      (resid   85   and name C     ) (resid   86   and name N     )  1   135.00    45.00 2
    end
  end
 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          2H        MET   1 -23.141 -12.126   9.601
    2   2H    MET   1          1H        MET   1 -21.839 -12.586  10.578
    3   3H    MET   1          3H        MET   1 -21.592 -11.558   9.246
    4    HA   MET   1           HA       MET   1 -20.834 -13.822   8.754
    5   1HB   MET   1          2HB       MET   1 -22.291 -14.980  10.354
    6   2HB   MET   1          1HB       MET   1 -23.699 -14.593   9.349
    7   1HG   MET   1          2HG       MET   1 -21.999 -15.763   7.528
    8   2HG   MET   1          1HG       MET   1 -21.735 -16.758   8.959
    9   1HE   MET   1          1HE       MET   1 -22.345 -18.012   6.831
   10   2HE   MET   1          3HE       MET   1 -23.523 -19.137   7.466
   11   3HE   MET   1          2HE       MET   1 -23.932 -18.120   6.096
   12    H    ALA   2           H        ALA   2 -20.757 -12.289   6.894
   13    HA   ALA   2           HA       ALA   2 -21.328 -11.652   4.693
   14   1HB   ALA   2          3HB       ALA   2 -22.418 -14.490   4.789
   15   2HB   ALA   2          2HB       ALA   2 -22.246 -13.547   3.326
   16   3HB   ALA   2          1HB       ALA   2 -20.806 -13.982   4.256
   17    HA   PRO   3           HA       PRO   3 -25.633 -10.665   5.455
   18   1HB   PRO   3          2HB       PRO   3 -25.221  -7.946   5.727
   19   2HB   PRO   3          1HB       PRO   3 -25.299  -9.026   7.135
   20   1HG   PRO   3          2HG       PRO   3 -22.904  -7.662   6.134
   21   2HG   PRO   3          1HG       PRO   3 -23.059  -8.765   7.508
   22   1HD   PRO   3          2HD       PRO   3 -21.993  -9.262   4.803
   23   2HD   PRO   3          1HD       PRO   3 -21.703 -10.166   6.307
   24    H    ALA   4           H        ALA   4 -27.010  -9.720   3.911
   25    HA   ALA   4           HA       ALA   4 -25.691  -9.039   1.371
   26   1HB   ALA   4          3HB       ALA   4 -28.275 -10.076   2.243
   27   2HB   ALA   4          2HB       ALA   4 -28.351  -8.956   0.861
   28   3HB   ALA   4          1HB       ALA   4 -27.338 -10.420   0.813
   29    H    GLN   5           H        GLN   5 -24.921  -6.997   2.707
   30    HA   GLN   5           HA       GLN   5 -26.921  -4.788   2.313
   31   1HB   GLN   5          2HB       GLN   5 -26.416  -5.373   4.742
   32   2HB   GLN   5          1HB       GLN   5 -24.737  -4.987   4.441
   33   1HG   GLN   5          2HG       GLN   5 -25.302  -2.686   4.002
   34   2HG   GLN   5          1HG       GLN   5 -27.017  -3.113   3.810
   35   1HE2  GLN   5          2HE2      GLN   5 -26.985  -1.848   7.236
   36   2HE2  GLN   5          1HE2      GLN   5 -27.068  -1.236   5.648
   37    HA   PRO   6           HA       PRO   6 -23.665  -2.973  -0.122
   38   1HB   PRO   6          2HB       PRO   6 -24.602  -0.312   0.106
   39   2HB   PRO   6          1HB       PRO   6 -24.927  -1.491  -1.177
   40   1HG   PRO   6          2HG       PRO   6 -26.845  -0.456   0.708
   41   2HG   PRO   6          1HG       PRO   6 -27.038  -1.832  -0.407
   42   1HD   PRO   6          2HD       PRO   6 -26.411  -1.846   2.489
   43   2HD   PRO   6          1HD       PRO   6 -27.263  -3.068   1.514
   44    H    LEU   7           H        LEU   7 -22.454  -3.675   1.854
   45    HA   LEU   7           HA       LEU   7 -21.610  -1.435   3.632
   46   1HB   LEU   7          2HB       LEU   7 -21.151  -4.421   3.448
   47   2HB   LEU   7          1HB       LEU   7 -19.961  -3.413   4.269
   48    HG   LEU   7           HG       LEU   7 -22.901  -3.453   4.961
   49   1HD1  LEU   7          3HD1      LEU   7 -20.658  -5.153   5.820
   50   2HD1  LEU   7          2HD1      LEU   7 -21.702  -4.486   7.092
   51   3HD1  LEU   7          1HD1      LEU   7 -22.418  -5.440   5.785
   52   1HD2  LEU   7          1HD2      LEU   7 -20.492  -2.128   6.258
   53   2HD2  LEU   7          3HD2      LEU   7 -21.913  -1.361   5.563
   54   3HD2  LEU   7          2HD2      LEU   7 -22.035  -2.297   7.058
   55    H    SER   8           H        SER   8 -19.843  -0.249   3.311
   56    HA   SER   8           HA       SER   8 -17.829   0.592   2.401
   57   1HB   SER   8          2HB       SER   8 -16.234  -0.950   1.815
   58   2HB   SER   8          1HB       SER   8 -17.401  -2.031   2.589
   59    HG   SER   8           HG       SER   8 -17.437  -2.953   0.696
   60    H    GLU   9           H        GLU   9 -17.453   1.805   0.635
   61    HA   GLU   9           HA       GLU   9 -18.966   1.176  -1.882
   62   1HB   GLU   9          2HB       GLU   9 -20.332   2.872  -0.986
   63   2HB   GLU   9          1HB       GLU   9 -18.992   3.628  -0.159
   64   1HG   GLU   9          2HG       GLU   9 -18.218   4.672  -2.177
   65   2HG   GLU   9          1HG       GLU   9 -19.151   3.580  -3.207
   66    H    ASN  10           H        ASN  10 -16.204   2.960  -0.421
   67    HA   ASN  10           HA       ASN  10 -15.252   3.859  -2.972
   68   1HB   ASN  10          2HB       ASN  10 -14.592   5.031  -0.882
   69   2HB   ASN  10          1HB       ASN  10 -13.669   3.621  -0.380
   70   1HD2  ASN  10          1HD2      ASN  10 -10.991   5.194  -2.178
   71   2HD2  ASN  10          2HD2      ASN  10 -11.568   4.837  -0.609
   72    HA   PRO  11           HA       PRO  11 -12.135   0.081  -2.215
   73   1HB   PRO  11          2HB       PRO  11 -14.198  -1.942  -1.620
   74   2HB   PRO  11          1HB       PRO  11 -12.525  -1.783  -0.980
   75   1HG   PRO  11          2HG       PRO  11 -14.861  -1.043   0.393
   76   2HG   PRO  11          1HG       PRO  11 -13.222  -0.403   0.773
   77   1HD   PRO  11          2HD       PRO  11 -15.510   0.894  -0.383
   78   2HD   PRO  11          1HD       PRO  11 -13.985   1.631   0.166
   79    HA   PRO  12           HA       PRO  12 -11.092  -1.419  -3.242
   80   1HB   PRO  12          2HB       PRO  12  -9.865  -1.280  -5.862
   81   2HB   PRO  12          1HB       PRO  12 -10.205  -2.747  -4.875
   82   1HG   PRO  12          2HG       PRO  12 -11.476  -1.927  -7.247
   83   2HG   PRO  12          1HG       PRO  12 -11.953  -3.240  -6.135
   84   1HD   PRO  12          2HD       PRO  12 -13.214  -0.595  -6.480
   85   2HD   PRO  12          1HD       PRO  12 -13.945  -2.081  -5.812
   86    H    ASN  13           H        ASN  13  -9.693   0.197  -2.652
   87    HA   ASN  13           HA       ASN  13 -10.038   2.802  -3.894
   88   1HB   ASN  13          2HB       ASN  13 -10.397   2.521  -1.489
   89   2HB   ASN  13          1HB       ASN  13  -8.803   1.805  -1.298
   90   1HD2  ASN  13          2HD2      ASN  13  -8.733   5.338  -0.144
   91   2HD2  ASN  13          1HD2      ASN  13  -9.588   3.955   0.294
   92    H    HIS  14           H        HIS  14  -8.043   4.166  -4.279
   93    HA   HIS  14           HA       HIS  14  -5.738   2.528  -5.230
   94   1HB   HIS  14          2HB       HIS  14  -5.316   4.280  -6.777
   95   2HB   HIS  14          1HB       HIS  14  -6.984   3.863  -6.994
   96    HD1  HIS  14           HD1      HIS  14  -8.723   5.593  -6.002
   97    HD2  HIS  14           HD2      HIS  14  -4.748   6.887  -5.841
   98    HE1  HIS  14           HE1      HIS  14  -8.792   8.105  -5.491
   99    HE2  HIS  14           HE2      HIS  14  -6.373   8.923  -5.393
  100    H    ILE  15           H        ILE  15  -5.963   3.871  -2.452
  101    HA   ILE  15           HA       ILE  15  -3.343   5.233  -2.513
  102    HB   ILE  15           HB       ILE  15  -5.820   6.504  -1.492
  103   1HG1  ILE  15          2HG1      ILE  15  -3.139   7.473  -2.434
  104   2HG1  ILE  15          1HG1      ILE  15  -4.528   7.267  -3.495
  105   1HG2  ILE  15          1HG2      ILE  15  -3.129   6.783  -0.147
  106   2HG2  ILE  15          3HG2      ILE  15  -4.568   7.760   0.207
  107   3HG2  ILE  15          2HG2      ILE  15  -4.535   6.085   0.657
  108   1HD1  ILE  15          1HD1      ILE  15  -5.119   8.932  -1.173
  109   2HD1  ILE  15          3HD1      ILE  15  -3.886   9.627  -2.170
  110   3HD1  ILE  15          2HD1      ILE  15  -5.447   9.168  -2.897
  111    H    LEU  16           H        LEU  16  -2.126   3.790  -1.282
  112    HA   LEU  16           HA       LEU  16  -3.435   2.498   1.034
  113   1HB   LEU  16          2HB       LEU  16  -1.523   1.618  -1.134
  114   2HB   LEU  16          1HB       LEU  16  -1.447   0.784   0.402
  115    HG   LEU  16           HG       LEU  16  -4.158   1.190  -0.693
  116   1HD1  LEU  16          2HD1      LEU  16  -2.517   0.860  -2.673
  117   2HD1  LEU  16          1HD1      LEU  16  -2.366  -0.820  -2.100
  118   3HD1  LEU  16          3HD1      LEU  16  -3.910  -0.200  -2.679
  119   1HD2  LEU  16          3HD2      LEU  16  -3.509  -0.344   1.193
  120   2HD2  LEU  16          2HD2      LEU  16  -4.511  -1.099  -0.007
  121   3HD2  LEU  16          1HD2      LEU  16  -2.797  -1.442  -0.026
  122    H    PHE  17           H        PHE  17  -2.789   3.356   2.794
  123    HA   PHE  17           HA       PHE  17  -0.050   4.302   3.192
  124   1HB   PHE  17          2HB       PHE  17  -1.265   6.303   3.214
  125   2HB   PHE  17          1HB       PHE  17  -2.579   5.592   4.208
  126    HD1  PHE  17           HD2      PHE  17   1.171   5.955   4.434
  127    HD2  PHE  17           HD1      PHE  17  -2.525   5.938   6.592
  128    HE1  PHE  17           HE2      PHE  17   2.383   6.447   6.558
  129    HE2  PHE  17           HE1      PHE  17  -1.278   6.411   8.669
  130    HZ   PHE  17           HZ       PHE  17   1.110   6.668   8.664
  131    H    LEU  18           H        LEU  18   0.907   3.431   4.778
  132    HA   LEU  18           HA       LEU  18   0.122   2.956   7.246
  133   1HB   LEU  18          2HB       LEU  18  -1.359   0.867   6.026
  134   2HB   LEU  18          1HB       LEU  18  -0.154   0.185   7.027
  135    HG   LEU  18           HG       LEU  18  -2.074   0.596   8.276
  136   1HD1  LEU  18          3HD1      LEU  18   0.219   0.817   9.236
  137   2HD1  LEU  18          2HD1      LEU  18  -0.051   2.585   9.217
  138   3HD1  LEU  18          1HD1      LEU  18  -1.094   1.507  10.139
  139   1HD2  LEU  18          3HD2      LEU  18  -1.669   3.524   7.465
  140   2HD2  LEU  18          2HD2      LEU  18  -3.081   2.517   7.243
  141   3HD2  LEU  18          1HD2      LEU  18  -2.606   2.994   8.875
  142    H    THR  19           H        THR  19   1.464   0.642   7.796
  143    HA   THR  19           HA       THR  19   4.207   1.414   7.124
  144    HB   THR  19           HB       THR  19   4.773   2.007   9.417
  145    HG1  THR  19          1HG       THR  19   3.227   1.808  11.041
  146   1HG2  THR  19          3HG2      THR  19   3.208   3.738   8.105
  147   2HG2  THR  19          2HG2      THR  19   1.976   3.114   9.237
  148   3HG2  THR  19          1HG2      THR  19   3.433   3.946   9.832
  149    H    ASN  20           H        ASN  20   5.497   0.061   8.689
  150    HA   ASN  20           HA       ASN  20   5.913  -1.774   9.903
  151   1HB   ASN  20          2HB       ASN  20   3.311  -2.946   8.878
  152   2HB   ASN  20          1HB       ASN  20   4.650  -3.955   9.296
  153   1HD2  ASN  20          2HD2      ASN  20   3.246  -4.198  12.385
  154   2HD2  ASN  20          1HD2      ASN  20   3.470  -4.882  10.882
  155    H    LEU  21           H        LEU  21   6.880  -0.591   7.560
  156    HA   LEU  21           HA       LEU  21   8.030  -2.918   6.135
  157   1HB   LEU  21          2HB       LEU  21   7.801  -1.292   4.120
  158   2HB   LEU  21          1HB       LEU  21   6.572  -2.439   4.571
  159    HG   LEU  21           HG       LEU  21   6.280   0.219   5.943
  160   1HD1  LEU  21          1HD1      LEU  21   7.180   0.455   3.499
  161   2HD1  LEU  21          3HD1      LEU  21   5.438   0.306   3.124
  162   3HD1  LEU  21          2HD1      LEU  21   6.020   1.540   4.263
  163   1HD2  LEU  21          1HD2      LEU  21   4.381  -1.578   4.347
  164   2HD2  LEU  21          3HD2      LEU  21   4.595  -1.566   6.071
  165   3HD2  LEU  21          2HD2      LEU  21   3.908  -0.152   5.245
  166    HA   PRO  22           HA       PRO  22  11.374   0.183   7.051
  167   1HB   PRO  22          2HB       PRO  22  12.027  -0.641   9.521
  168   2HB   PRO  22          1HB       PRO  22  10.380   0.044   9.301
  169   1HG   PRO  22          2HG       PRO  22  11.308  -2.870   9.463
  170   2HG   PRO  22          1HG       PRO  22   9.839  -2.063  10.117
  171   1HD   PRO  22          2HD       PRO  22  10.151  -3.459   7.651
  172   2HD   PRO  22          1HD       PRO  22   8.670  -2.662   8.314
  173    H    GLU  23           H        GLU  23  13.564  -0.920   8.333
  174    HA   GLU  23           HA       GLU  23  15.256  -2.525   8.338
  175   1HB   GLU  23          2HB       GLU  23  13.517  -4.299   7.826
  176   2HB   GLU  23          1HB       GLU  23  13.887  -4.031   6.129
  177   1HG   GLU  23          2HG       GLU  23  16.213  -4.588   6.471
  178   2HG   GLU  23          1HG       GLU  23  16.022  -4.396   8.192
  179    H    GLU  24           H        GLU  24  15.592  -0.206   7.194
  180    HA   GLU  24           HA       GLU  24  17.084   0.936   5.865
  181   1HB   GLU  24          2HB       GLU  24  17.734  -1.602   4.370
  182   2HB   GLU  24          1HB       GLU  24  18.748  -0.192   4.572
  183   1HG   GLU  24          2HG       GLU  24  19.061  -0.704   6.913
  184   2HG   GLU  24          1HG       GLU  24  17.886  -2.026   6.840
  185    H    THR  25           H        THR  25  14.274  -0.236   5.261
  186    HA   THR  25           HA       THR  25  14.186  -0.501   2.438
  187    HB   THR  25           HB       THR  25  12.365  -0.566   4.658
  188    HG1  THR  25          1HG       THR  25  12.172  -1.287   1.961
  189   1HG2  THR  25          2HG2      THR  25  11.754   1.717   4.009
  190   2HG2  THR  25          1HG2      THR  25  11.413   1.134   2.362
  191   3HG2  THR  25          3HG2      THR  25  10.404   0.603   3.697
  192    H    ASN  26           H        ASN  26  13.180   1.401   0.927
  193    HA   ASN  26           HA       ASN  26  13.308   4.004   2.267
  194   1HB   ASN  26          2HB       ASN  26  15.120   4.961   1.174
  195   2HB   ASN  26          1HB       ASN  26  15.737   3.454   1.783
  196   1HD2  ASN  26          1HD2      ASN  26  16.634   2.265  -1.426
  197   2HD2  ASN  26          2HD2      ASN  26  16.686   2.087   0.271
  198    H    GLU  27           H        GLU  27  13.331   5.816   0.518
  199    HA   GLU  27           HA       GLU  27  10.829   5.712  -0.757
  200   1HB   GLU  27          2HB       GLU  27  11.793   7.818  -1.998
  201   2HB   GLU  27          1HB       GLU  27  11.254   7.836  -0.336
  202   1HG   GLU  27          2HG       GLU  27  13.516   7.925   0.476
  203   2HG   GLU  27          1HG       GLU  27  14.115   7.152  -1.001
  204    H    LEU  28           H        LEU  28  14.192   5.494  -2.311
  205    HA   LEU  28           HA       LEU  28  13.078   5.548  -4.940
  206   1HB   LEU  28          2HB       LEU  28  15.210   5.569  -5.683
  207   2HB   LEU  28          1HB       LEU  28  15.538   6.056  -4.024
  208    HG   LEU  28           HG       LEU  28  15.643   3.358  -3.664
  209   1HD1  LEU  28          1HD1      LEU  28  16.253   3.995  -6.578
  210   2HD1  LEU  28          3HD1      LEU  28  17.133   2.715  -5.726
  211   3HD1  LEU  28          2HD1      LEU  28  15.390   2.622  -5.945
  212   1HD2  LEU  28          1HD2      LEU  28  17.316   5.452  -3.497
  213   2HD2  LEU  28          3HD2      LEU  28  17.784   3.754  -3.258
  214   3HD2  LEU  28          2HD2      LEU  28  18.048   4.520  -4.835
  215    H    MET  29           H        MET  29  13.627   3.282  -2.449
  216    HA   MET  29           HA       MET  29  13.693   0.851  -3.959
  217   1HB   MET  29          2HB       MET  29  14.371   1.456  -1.541
  218   2HB   MET  29          1HB       MET  29  12.723   1.158  -1.073
  219   1HG   MET  29          2HG       MET  29  14.803  -0.724  -2.265
  220   2HG   MET  29          1HG       MET  29  13.990  -0.873  -0.694
  221   1HE   MET  29          3HE       MET  29  13.683  -0.995  -4.584
  222   2HE   MET  29          2HE       MET  29  14.450  -2.432  -3.917
  223   3HE   MET  29          1HE       MET  29  12.907  -2.547  -4.728
  224    H    LEU  30           H        LEU  30  11.247   2.318  -1.871
  225    HA   LEU  30           HA       LEU  30   9.023   0.745  -2.783
  226   1HB   LEU  30          2HB       LEU  30   9.522   3.090  -1.005
  227   2HB   LEU  30          1HB       LEU  30   7.891   2.957  -1.632
  228    HG   LEU  30           HG       LEU  30   8.031   0.476  -1.045
  229   1HD1  LEU  30          3HD1      LEU  30  10.538   0.623  -0.435
  230   2HD1  LEU  30          2HD1      LEU  30   9.942   1.402   1.055
  231   3HD1  LEU  30          1HD1      LEU  30   9.448  -0.237   0.647
  232   1HD2  LEU  30          2HD2      LEU  30   6.684   2.369   0.139
  233   2HD2  LEU  30          1HD2      LEU  30   6.911   0.841   0.919
  234   3HD2  LEU  30          3HD2      LEU  30   7.891   2.256   1.421
  235    H    SER  31           H        SER  31  10.578   3.618  -3.874
  236    HA   SER  31           HA       SER  31   8.408   4.619  -5.542
  237   1HB   SER  31          2HB       SER  31  11.343   5.182  -5.551
  238   2HB   SER  31          1HB       SER  31  10.257   5.813  -6.808
  239    HG   SER  31           HG       SER  31  10.658   7.110  -4.821
  240    H    MET  32           H        MET  32  11.250   2.372  -5.982
  241    HA   MET  32           HA       MET  32  10.780   2.119  -8.859
  242   1HB   MET  32          2HB       MET  32  12.583   1.006  -6.810
  243   2HB   MET  32          1HB       MET  32  12.125  -0.121  -8.049
  244   1HG   MET  32          2HG       MET  32  12.630   1.819  -9.683
  245   2HG   MET  32          1HG       MET  32  13.568   2.466  -8.306
  246   1HE   MET  32          1HE       MET  32  14.508   1.868 -11.057
  247   2HE   MET  32          3HE       MET  32  15.983   0.918 -10.986
  248   3HE   MET  32          2HE       MET  32  14.448   0.164 -11.500
  249    H    LEU  33           H        LEU  33   9.783   0.453  -5.889
  250    HA   LEU  33           HA       LEU  33   8.720  -1.959  -7.085
  251   1HB   LEU  33          2HB       LEU  33   8.632  -0.561  -4.419
  252   2HB   LEU  33          1HB       LEU  33   7.354  -1.666  -4.800
  253    HG   LEU  33           HG       LEU  33  10.262  -2.432  -5.158
  254   1HD1  LEU  33          2HD1      LEU  33   9.896  -1.718  -2.781
  255   2HD1  LEU  33          1HD1      LEU  33   8.531  -2.783  -2.675
  256   3HD1  LEU  33          3HD1      LEU  33  10.136  -3.493  -2.851
  257   1HD2  LEU  33          1HD2      LEU  33   7.878  -3.823  -5.716
  258   2HD2  LEU  33          3HD2      LEU  33   9.517  -4.466  -5.648
  259   3HD2  LEU  33          2HD2      LEU  33   8.424  -4.538  -4.231
  260    H    PHE  34           H        PHE  34   7.677   1.183  -6.057
  261    HA   PHE  34           HA       PHE  34   4.905   0.616  -6.820
  262   1HB   PHE  34          2HB       PHE  34   6.225   3.215  -5.868
  263   2HB   PHE  34          1HB       PHE  34   4.497   3.111  -6.252
  264    HD1  PHE  34           HD1      PHE  34   4.210   0.068  -5.132
  265    HD2  PHE  34           HD2      PHE  34   5.727   3.780  -3.573
  266    HE1  PHE  34           HE1      PHE  34   3.709  -0.645  -2.904
  267    HE2  PHE  34           HE2      PHE  34   5.216   3.035  -1.289
  268    HZ   PHE  34           HZ       PHE  34   4.166   0.743  -0.947
  269    H    ASN  35           H        ASN  35   7.693   1.943  -8.178
  270    HA   ASN  35           HA       ASN  35   6.597   3.327 -10.389
  271   1HB   ASN  35          2HB       ASN  35   9.010   3.670 -10.029
  272   2HB   ASN  35          1HB       ASN  35   9.289   1.912 -10.046
  273   1HD2  ASN  35          2HD2      ASN  35   9.679   1.807 -13.531
  274   2HD2  ASN  35          1HD2      ASN  35   9.900   1.047 -12.039
  275    H    GLN  36           H        GLN  36   7.580  -0.023  -9.883
  276    HA   GLN  36           HA       GLN  36   7.485  -1.368 -12.220
  277   1HB   GLN  36          2HB       GLN  36   6.152  -1.795  -9.606
  278   2HB   GLN  36          1HB       GLN  36   5.689  -2.910 -10.851
  279   1HG   GLN  36          2HG       GLN  36   8.315  -3.011 -11.312
  280   2HG   GLN  36          1HG       GLN  36   8.431  -2.497  -9.613
  281   1HE2  GLN  36          2HE2      GLN  36   8.354  -6.278  -9.808
  282   2HE2  GLN  36          1HE2      GLN  36   9.305  -5.081 -10.559
  283    H    PHE  37           H        PHE  37   4.805   0.100 -10.593
  284    HA   PHE  37           HA       PHE  37   2.711  -0.577 -12.489
  285   1HB   PHE  37          2HB       PHE  37   2.588   0.942  -9.897
  286   2HB   PHE  37          1HB       PHE  37   1.234   0.332 -10.775
  287    HD1  PHE  37           HD1      PHE  37   1.269  -2.269 -11.441
  288    HD2  PHE  37           HD2      PHE  37   3.783  -0.519  -8.434
  289    HE1  PHE  37           HE1      PHE  37   1.649  -4.499 -10.543
  290    HE2  PHE  37           HE2      PHE  37   4.172  -2.836  -7.524
  291    HZ   PHE  37           HZ       PHE  37   3.149  -4.789  -8.525
  292    HA   PRO  38           HA       PRO  38   3.079   3.299 -14.751
  293   1HB   PRO  38          2HB       PRO  38   0.558   3.178 -15.874
  294   2HB   PRO  38          1HB       PRO  38   1.964   2.382 -16.559
  295   1HG   PRO  38          2HG       PRO  38  -0.320   1.111 -15.031
  296   2HG   PRO  38          1HG       PRO  38   0.727   0.419 -16.284
  297   1HD   PRO  38          2HD       PRO  38   1.085  -0.112 -13.624
  298   2HD   PRO  38          1HD       PRO  38   2.375  -0.172 -14.831
  299    H    GLY  39           H        GLY  39   0.768   2.330 -12.406
  300   1HA   GLY  39          2HA       GLY  39  -0.728   4.762 -12.179
  301   2HA   GLY  39          1HA       GLY  39  -0.671   3.396 -11.021
  302    H    PHE  40           H        PHE  40   2.338   3.965 -11.338
  303    HA   PHE  40           HA       PHE  40   3.085   4.842  -8.865
  304   1HB   PHE  40          2HB       PHE  40   4.749   4.146 -10.451
  305   2HB   PHE  40          1HB       PHE  40   4.310   5.457 -11.524
  306    HD1  PHE  40           HD1      PHE  40   5.614   4.699  -8.179
  307    HD2  PHE  40           HD2      PHE  40   5.466   7.584 -11.338
  308    HE1  PHE  40           HE1      PHE  40   7.351   6.085  -6.976
  309    HE2  PHE  40           HE2      PHE  40   7.152   8.943 -10.200
  310    HZ   PHE  40           HZ       PHE  40   8.117   8.195  -7.982
  311    H    LYS  41           H        LYS  41   1.759   6.444  -8.014
  312    HA   LYS  41           HA       LYS  41   1.984   9.166  -9.341
  313   1HB   LYS  41          2HB       LYS  41  -0.269   7.734  -8.786
  314   2HB   LYS  41          1HB       LYS  41  -0.174   8.880  -7.438
  315   1HG   LYS  41          2HG       LYS  41   0.027   9.818 -10.302
  316   2HG   LYS  41          1HG       LYS  41  -1.473   9.722  -9.379
  317   1HD   LYS  41          2HD       LYS  41  -0.509  11.066  -7.567
  318   2HD   LYS  41          1HD       LYS  41   0.960  11.248  -8.491
  319   1HE   LYS  41          2HE       LYS  41   0.019  12.788  -9.966
  320   2HE   LYS  41          1HE       LYS  41  -1.537  11.941  -9.908
  321   1HZ   LYS  41          3HZ       LYS  41  -0.672  13.130  -7.399
  322   2HZ   LYS  41          2HZ       LYS  41  -0.983  14.275  -8.616
  323   3HZ   LYS  41          1HZ       LYS  41  -2.190  13.205  -8.134
  324    H    GLU  42           H        GLU  42   1.483   7.892  -6.005
  325    HA   GLU  42           HA       GLU  42   3.180  10.081  -5.000
  326   1HB   GLU  42          2HB       GLU  42   0.624  10.313  -4.551
  327   2HB   GLU  42          1HB       GLU  42   0.919   9.044  -3.338
  328   1HG   GLU  42          2HG       GLU  42   1.770  10.554  -1.910
  329   2HG   GLU  42          1HG       GLU  42   3.038  10.932  -3.046
  330    H    VAL  43           H        VAL  43   4.563   9.431  -3.507
  331    HA   VAL  43           HA       VAL  43   4.594   6.756  -2.324
  332    HB   VAL  43           HB       VAL  43   6.859   6.349  -3.209
  333   1HG1  VAL  43          2HG1      VAL  43   4.662   5.782  -4.467
  334   2HG1  VAL  43          1HG1      VAL  43   5.109   7.116  -5.527
  335   3HG1  VAL  43          3HG1      VAL  43   6.187   5.734  -5.377
  336   1HG2  VAL  43          2HG2      VAL  43   6.516   9.154  -4.175
  337   2HG2  VAL  43          1HG2      VAL  43   8.000   8.277  -3.870
  338   3HG2  VAL  43          3HG2      VAL  43   7.089   8.055  -5.392
  339    H    ARG  44           H        ARG  44   4.881   7.206  -0.243
  340    HA   ARG  44           HA       ARG  44   6.691   9.369   0.547
  341   1HB   ARG  44          2HB       ARG  44   3.908   9.265   0.920
  342   2HB   ARG  44          1HB       ARG  44   4.638   9.013   2.536
  343   1HG   ARG  44          2HG       ARG  44   5.953  11.101   0.937
  344   2HG   ARG  44          1HG       ARG  44   4.232  11.423   1.227
  345   1HD   ARG  44          2HD       ARG  44   5.281  12.323   3.167
  346   2HD   ARG  44          1HD       ARG  44   4.636  10.732   3.628
  347    HE   ARG  44           HE       ARG  44   6.851   9.817   3.473
  348   1HH1  ARG  44          1HH1      ARG  44   7.589  12.337   1.678
  349   2HH1  ARG  44          2HH1      ARG  44   8.835  13.024   2.621
  350   1HH2  ARG  44          1HH2      ARG  44   8.081  11.086   5.396
  351   2HH2  ARG  44          2HH2      ARG  44   9.139  12.334   4.751
  352    H    LEU  45           H        LEU  45   8.312   8.117   1.063
  353    HA   LEU  45           HA       LEU  45   8.178   6.349   3.389
  354   1HB   LEU  45          2HB       LEU  45   7.773   5.082   1.252
  355   2HB   LEU  45          1HB       LEU  45   9.400   5.522   0.728
  356    HG   LEU  45           HG       LEU  45   9.478   3.324   1.601
  357   1HD1  LEU  45          1HD1      LEU  45  11.387   4.783   2.151
  358   2HD1  LEU  45          3HD1      LEU  45  10.659   5.121   3.721
  359   3HD1  LEU  45          2HD1      LEU  45  11.181   3.491   3.300
  360   1HD2  LEU  45          3HD2      LEU  45   7.390   3.562   3.103
  361   2HD2  LEU  45          2HD2      LEU  45   8.735   2.667   3.818
  362   3HD2  LEU  45          1HD2      LEU  45   8.432   4.352   4.259
  363    H    VAL  46           H        VAL  46   9.598   8.087   4.300
  364    HA   VAL  46           HA       VAL  46  12.361   7.900   3.285
  365    HB   VAL  46           HB       VAL  46  10.624   9.709   2.098
  366   1HG1  VAL  46          2HG1      VAL  46  10.796  11.040   4.343
  367   2HG1  VAL  46          1HG1      VAL  46  12.438  11.429   3.740
  368   3HG1  VAL  46          3HG1      VAL  46  11.000  11.872   2.821
  369   1HG2  VAL  46          2HG2      VAL  46  13.558   9.296   2.224
  370   2HG2  VAL  46          1HG2      VAL  46  12.460   9.469   0.824
  371   3HG2  VAL  46          3HG2      VAL  46  13.064  10.896   1.640
  372    HA   PRO  47           HA       PRO  47  12.349  10.973   6.922
  373   1HB   PRO  47          2HB       PRO  47  10.808   9.762   9.053
  374   2HB   PRO  47          1HB       PRO  47  10.749  11.435   8.423
  375   1HG   PRO  47          2HG       PRO  47   8.917   9.278   8.024
  376   2HG   PRO  47          1HG       PRO  47   8.841  10.842   7.153
  377   1HD   PRO  47          2HD       PRO  47   9.661   8.240   6.209
  378   2HD   PRO  47          1HD       PRO  47   9.382   9.728   5.249
  379    H    GLY  48           H        GLY  48  12.911  10.256   9.588
  380   1HA   GLY  48          2HA       GLY  48  15.077   8.394   9.379
  381   2HA   GLY  48          1HA       GLY  48  14.260   8.860  10.875
  382    H    ARG  49           H        ARG  49  11.684   8.192   9.826
  383    HA   ARG  49           HA       ARG  49  11.024   5.615  10.688
  384   1HB   ARG  49          2HB       ARG  49   9.855   7.625   8.811
  385   2HB   ARG  49          1HB       ARG  49   9.174   5.996   8.802
  386   1HG   ARG  49          2HG       ARG  49   8.586   6.162  11.084
  387   2HG   ARG  49          1HG       ARG  49   9.607   7.608  11.336
  388   1HD   ARG  49          2HD       ARG  49   7.627   7.860   9.189
  389   2HD   ARG  49          1HD       ARG  49   6.908   7.577  10.755
  390    HE   ARG  49           HE       ARG  49   8.877   9.740  10.089
  391   1HH1  ARG  49          1HH2      ARG  49   7.797   8.585  12.856
  392   2HH1  ARG  49          2HH2      ARG  49   6.880   9.899  13.450
  393   1HH2  ARG  49          1HH1      ARG  49   6.933  11.567  10.361
  394   2HH2  ARG  49          2HH1      ARG  49   6.361  11.606  11.967
  395    H    HIS  50           H        HIS  50  10.857   6.257   7.190
  396    HA   HIS  50           HA       HIS  50  11.497   4.941   5.426
  397   1HB   HIS  50          2HB       HIS  50  13.291   3.330   7.332
  398   2HB   HIS  50          1HB       HIS  50  13.342   3.269   5.609
  399    HD1  HIS  50           HD1      HIS  50  15.395   4.580   8.003
  400    HD2  HIS  50           HD2      HIS  50  13.499   6.415   4.798
  401    HE1  HIS  50           HE1      HIS  50  16.710   6.685   7.522
  402    HE2  HIS  50           HE2      HIS  50  15.602   7.857   5.573
  403    H    ASP  51           H        ASP  51   9.599   4.458   7.755
  404    HA   ASP  51           HA       ASP  51   8.918   1.675   7.063
  405   1HB   ASP  51          2HB       ASP  51   8.525   1.013   9.252
  406   2HB   ASP  51          1HB       ASP  51   9.992   1.982   9.406
  407    H    ILE  52           H        ILE  52   7.714   4.637   6.854
  408    HA   ILE  52           HA       ILE  52   4.898   3.804   7.206
  409    HB   ILE  52           HB       ILE  52   4.137   5.907   7.609
  410   1HG1  ILE  52          2HG1      ILE  52   5.253   7.294   6.085
  411   2HG1  ILE  52          1HG1      ILE  52   5.414   7.942   7.683
  412   1HG2  ILE  52          3HG2      ILE  52   6.601   5.213   9.213
  413   2HG2  ILE  52          2HG2      ILE  52   5.699   6.726   9.545
  414   3HG2  ILE  52          1HG2      ILE  52   4.924   5.164   9.715
  415   1HD1  ILE  52          2HD1      ILE  52   7.655   6.380   7.546
  416   2HD1  ILE  52          1HD1      ILE  52   7.579   7.067   5.894
  417   3HD1  ILE  52          3HD1      ILE  52   7.591   8.139   7.273
  418    H    ALA  53           H        ALA  53   4.094   3.380   5.262
  419    HA   ALA  53           HA       ALA  53   5.257   4.750   2.913
  420   1HB   ALA  53          1HB       ALA  53   4.250   1.956   3.300
  421   2HB   ALA  53          3HB       ALA  53   4.243   2.725   1.689
  422   3HB   ALA  53          2HB       ALA  53   5.773   2.538   2.582
  423    H    PHE  54           H        PHE  54   4.011   6.110   1.996
  424    HA   PHE  54           HA       PHE  54   1.130   5.811   1.888
  425   1HB   PHE  54          2HB       PHE  54   2.451   8.006   2.866
  426   2HB   PHE  54          1HB       PHE  54   2.212   8.445   1.203
  427    HD1  PHE  54           HD2      PHE  54  -0.163   8.117   0.203
  428    HD2  PHE  54           HD1      PHE  54   0.690   8.336   4.444
  429    HE1  PHE  54           HE2      PHE  54  -2.543   8.734   0.684
  430    HE2  PHE  54           HE1      PHE  54  -1.644   8.947   4.909
  431    HZ   PHE  54           HZ       PHE  54  -3.233   9.136   3.009
  432    H    VAL  55           H        VAL  55   0.567   4.982   0.081
  433    HA   VAL  55           HA       VAL  55   2.018   5.684  -2.427
  434    HB   VAL  55           HB       VAL  55   2.172   3.386  -1.148
  435   1HG1  VAL  55          1HG1      VAL  55  -0.259   3.010  -1.297
  436   2HG1  VAL  55          3HG1      VAL  55  -0.125   2.837  -3.032
  437   3HG1  VAL  55          2HG1      VAL  55   0.717   1.684  -1.999
  438   1HG2  VAL  55          3HG2      VAL  55   3.247   4.102  -3.302
  439   2HG2  VAL  55          2HG2      VAL  55   2.733   2.389  -3.431
  440   3HG2  VAL  55          1HG2      VAL  55   1.784   3.644  -4.180
  441    H    GLU  56           H        GLU  56   0.818   6.861  -3.566
  442    HA   GLU  56           HA       GLU  56  -2.078   6.530  -3.947
  443   1HB   GLU  56          2HB       GLU  56  -1.019   8.891  -3.340
  444   2HB   GLU  56          1HB       GLU  56  -0.451   8.783  -5.035
  445   1HG   GLU  56          2HG       GLU  56  -2.926   8.181  -5.585
  446   2HG   GLU  56          1HG       GLU  56  -3.249   9.005  -4.062
  447    H    PHE  57           H        PHE  57  -2.403   5.198  -5.557
  448    HA   PHE  57           HA       PHE  57  -0.581   4.924  -7.900
  449   1HB   PHE  57          2HB       PHE  57  -2.491   3.247  -6.311
  450   2HB   PHE  57          1HB       PHE  57  -2.212   2.825  -8.017
  451    HD1  PHE  57           HD1      PHE  57   0.137   2.303  -8.768
  452    HD2  PHE  57           HD2      PHE  57  -1.105   2.529  -4.633
  453    HE1  PHE  57           HE1      PHE  57   2.140   0.960  -8.045
  454    HE2  PHE  57           HE2      PHE  57   0.919   1.179  -3.962
  455    HZ   PHE  57           HZ       PHE  57   2.459   0.447  -5.701
  456    H    ASP  58           H        ASP  58  -1.420   6.315  -9.370
  457    HA   ASP  58           HA       ASP  58  -3.489   7.529 -10.223
  458   1HB   ASP  58          2HB       ASP  58  -1.661   6.797 -11.740
  459   2HB   ASP  58          1HB       ASP  58  -2.581   5.288 -12.012
  460    H    ASN  59           H        ASN  59  -3.750   3.915 -10.331
  461    HA   ASN  59           HA       ASN  59  -6.531   4.204  -9.621
  462   1HB   ASN  59          2HB       ASN  59  -7.394   2.783 -11.436
  463   2HB   ASN  59          1HB       ASN  59  -6.629   4.246 -12.088
  464   1HD2  ASN  59          2HD2      ASN  59  -4.367   2.370 -14.009
  465   2HD2  ASN  59          1HD2      ASN  59  -5.300   3.779 -13.806
  466    H    GLU  60           H        GLU  60  -7.529   2.429  -8.852
  467    HA   GLU  60           HA       GLU  60  -5.972   0.883  -7.102
  468   1HB   GLU  60          2HB       GLU  60  -8.120  -0.253  -6.509
  469   2HB   GLU  60          1HB       GLU  60  -8.187   1.488  -6.564
  470   1HG   GLU  60          2HG       GLU  60  -8.818   0.086  -9.109
  471   2HG   GLU  60          1HG       GLU  60 -10.021  -0.145  -7.800
  472    H    VAL  61           H        VAL  61  -6.634   0.085 -10.433
  473    HA   VAL  61           HA       VAL  61  -6.432  -2.813 -10.204
  474    HB   VAL  61           HB       VAL  61  -5.522  -1.020 -12.511
  475   1HG1  VAL  61          2HG1      VAL  61  -6.015  -3.965 -12.164
  476   2HG1  VAL  61          1HG1      VAL  61  -6.252  -3.163 -13.741
  477   3HG1  VAL  61          3HG1      VAL  61  -4.686  -3.137 -12.953
  478   1HG2  VAL  61          2HG2      VAL  61  -8.248  -2.270 -11.867
  479   2HG2  VAL  61          1HG2      VAL  61  -7.892  -0.556 -11.960
  480   3HG2  VAL  61          3HG2      VAL  61  -7.785  -1.539 -13.415
  481    H    GLN  62           H        GLN  62  -4.346  -0.096 -10.799
  482    HA   GLN  62           HA       GLN  62  -1.868  -1.694 -10.634
  483   1HB   GLN  62          2HB       GLN  62  -1.760   1.295 -10.375
  484   2HB   GLN  62          1HB       GLN  62  -0.613   0.161 -11.120
  485   1HG   GLN  62          2HG       GLN  62  -1.474   0.338 -13.149
  486   2HG   GLN  62          1HG       GLN  62  -3.108   0.219 -12.546
  487   1HE2  GLN  62          2HE2      GLN  62  -2.305   3.706 -13.936
  488   2HE2  GLN  62          1HE2      GLN  62  -1.862   2.192 -14.525
  489    H    ALA  63           H        ALA  63  -3.713   0.317  -8.331
  490    HA   ALA  63           HA       ALA  63  -1.542   0.313  -6.479
  491   1HB   ALA  63          1HB       ALA  63  -4.103   1.535  -6.662
  492   2HB   ALA  63          3HB       ALA  63  -4.245   0.392  -5.303
  493   3HB   ALA  63          2HB       ALA  63  -3.073   1.704  -5.252
  494    H    GLY  64           H        GLY  64  -4.332  -1.554  -7.211
  495   1HA   GLY  64          2HA       GLY  64  -4.197  -3.435  -5.117
  496   2HA   GLY  64          1HA       GLY  64  -5.123  -3.648  -6.603
  497    H    ALA  65           H        ALA  65  -2.735  -3.168  -8.387
  498    HA   ALA  65           HA       ALA  65  -1.764  -5.832  -8.512
  499   1HB   ALA  65          3HB       ALA  65  -1.821  -4.089 -10.501
  500   2HB   ALA  65          2HB       ALA  65  -0.374  -3.409  -9.699
  501   3HB   ALA  65          1HB       ALA  65  -0.388  -5.062 -10.355
  502    H    ALA  66           H        ALA  66  -0.177  -2.732  -7.562
  503    HA   ALA  66           HA       ALA  66   2.321  -3.814  -6.635
  504   1HB   ALA  66          2HB       ALA  66   0.628  -1.358  -6.253
  505   2HB   ALA  66          1HB       ALA  66   1.778  -1.633  -4.983
  506   3HB   ALA  66          3HB       ALA  66   2.346  -1.477  -6.664
  507    H    ARG  67           H        ARG  67  -0.589  -3.074  -4.844
  508    HA   ARG  67           HA       ARG  67   0.178  -3.954  -2.256
  509   1HB   ARG  67          2HB       ARG  67  -1.834  -2.598  -3.074
  510   2HB   ARG  67          1HB       ARG  67  -2.635  -4.132  -3.341
  511   1HG   ARG  67          2HG       ARG  67  -1.393  -3.166  -0.681
  512   2HG   ARG  67          1HG       ARG  67  -3.097  -3.043  -1.113
  513   1HD   ARG  67          2HD       ARG  67  -2.194  -5.811  -1.377
  514   2HD   ARG  67          1HD       ARG  67  -1.899  -5.122   0.225
  515    HE   ARG  67           HE       ARG  67  -4.593  -5.094  -1.136
  516   1HH1  ARG  67          2HH1      ARG  67  -4.241  -3.464   1.397
  517   2HH1  ARG  67          1HH1      ARG  67  -4.763  -4.610   2.588
  518   1HH2  ARG  67          1HH2      ARG  67  -4.517  -7.370   0.518
  519   2HH2  ARG  67          2HH2      ARG  67  -4.912  -6.803   2.106
  520    H    ASP  68           H        ASP  68  -1.453  -5.685  -4.912
  521    HA   ASP  68           HA       ASP  68  -1.628  -8.178  -3.458
  522   1HB   ASP  68          2HB       ASP  68  -3.162  -7.680  -5.362
  523   2HB   ASP  68          1HB       ASP  68  -1.807  -7.764  -6.500
  524    H    ALA  69           H        ALA  69   0.767  -6.664  -5.433
  525    HA   ALA  69           HA       ALA  69   2.328  -8.989  -6.037
  526   1HB   ALA  69          3HB       ALA  69   2.585  -6.410  -6.896
  527   2HB   ALA  69          2HB       ALA  69   3.774  -6.418  -5.622
  528   3HB   ALA  69          1HB       ALA  69   3.928  -7.585  -6.954
  529    H    LEU  70           H        LEU  70   2.660  -6.427  -3.587
  530    HA   LEU  70           HA       LEU  70   4.419  -8.303  -1.997
  531   1HB   LEU  70          2HB       LEU  70   5.145  -6.323  -0.730
  532   2HB   LEU  70          1HB       LEU  70   5.676  -6.373  -2.413
  533    HG   LEU  70           HG       LEU  70   3.114  -4.915  -1.906
  534   1HD1  LEU  70          1HD1      LEU  70   4.662  -4.155  -0.042
  535   2HD1  LEU  70          3HD1      LEU  70   5.821  -3.721  -1.299
  536   3HD1  LEU  70          2HD1      LEU  70   4.306  -2.847  -1.188
  537   1HD2  LEU  70          1HD2      LEU  70   4.279  -5.343  -4.095
  538   2HD2  LEU  70          3HD2      LEU  70   3.869  -3.655  -3.747
  539   3HD2  LEU  70          2HD2      LEU  70   5.515  -4.229  -3.610
  540    H    GLN  71           H        GLN  71   1.562  -8.586  -2.035
  541    HA   GLN  71           HA       GLN  71   0.363  -7.325   0.244
  542   1HB   GLN  71          2HB       GLN  71  -0.814  -8.628  -1.788
  543   2HB   GLN  71          1HB       GLN  71  -0.540 -10.019  -0.761
  544   1HG   GLN  71          2HG       GLN  71  -1.496  -8.170   1.024
  545   2HG   GLN  71          1HG       GLN  71  -2.522  -7.914  -0.395
  546   1HE2  GLN  71          2HE2      GLN  71  -3.292 -11.070   1.864
  547   2HE2  GLN  71          1HE2      GLN  71  -2.475  -9.694   2.390
  548    H    GLY  72           H        GLY  72   2.789  -8.477   1.264
  549   1HA   GLY  72          2HA       GLY  72   1.962  -9.598   3.676
  550   2HA   GLY  72          1HA       GLY  72   2.187 -10.982   2.618
  551    H    PHE  73           H        PHE  73   3.763  -7.819   2.807
  552    HA   PHE  73           HA       PHE  73   6.351  -8.943   2.293
  553   1HB   PHE  73          2HB       PHE  73   5.493  -6.456   1.945
  554   2HB   PHE  73          1HB       PHE  73   6.100  -6.276   3.586
  555    HD1  PHE  73           HD1      PHE  73   8.442  -7.747   3.871
  556    HD2  PHE  73           HD2      PHE  73   7.021  -5.648   0.453
  557    HE1  PHE  73           HE1      PHE  73  10.815  -7.455   3.067
  558    HE2  PHE  73           HE2      PHE  73   9.334  -5.320  -0.390
  559    HZ   PHE  73           HZ       PHE  73  11.267  -6.267   0.974
  560    H    LYS  74           H        LYS  74   6.530 -10.534   3.820
  561    HA   LYS  74           HA       LYS  74   6.259 -10.701   6.614
  562   1HB   LYS  74          2HB       LYS  74   8.221 -12.163   6.592
  563   2HB   LYS  74          1HB       LYS  74   6.768 -12.622   5.779
  564   1HG   LYS  74          2HG       LYS  74   7.767 -12.668   3.712
  565   2HG   LYS  74          1HG       LYS  74   8.683 -11.158   4.017
  566   1HD   LYS  74          2HD       LYS  74  10.316 -12.864   3.805
  567   2HD   LYS  74          1HD       LYS  74  10.220 -12.486   5.521
  568   1HE   LYS  74          2HE       LYS  74  10.153 -14.879   5.384
  569   2HE   LYS  74          1HE       LYS  74   8.487 -14.369   5.716
  570   1HZ   LYS  74          3HZ       LYS  74   9.596 -14.967   3.035
  571   2HZ   LYS  74          2HZ       LYS  74   8.649 -16.016   3.977
  572   3HZ   LYS  74          1HZ       LYS  74   7.966 -14.598   3.378
  573    H    ILE  75           H        ILE  75   6.915  -7.968   6.692
  574    HA   ILE  75           HA       ILE  75   9.703  -7.889   7.544
  575    HB   ILE  75           HB       ILE  75   7.152  -6.372   7.770
  576   1HG1  ILE  75          2HG1      ILE  75   8.066  -5.682   5.874
  577   2HG1  ILE  75          1HG1      ILE  75   8.753  -4.444   6.916
  578   1HG2  ILE  75          3HG2      ILE  75   8.515  -6.338  10.052
  579   2HG2  ILE  75          2HG2      ILE  75   9.670  -5.412   9.151
  580   3HG2  ILE  75          1HG2      ILE  75   7.996  -4.795   9.349
  581   1HD1  ILE  75          3HD1      ILE  75  10.812  -5.979   7.096
  582   2HD1  ILE  75          2HD1      ILE  75  10.093  -6.953   5.797
  583   3HD1  ILE  75          1HD1      ILE  75  10.547  -5.241   5.537
  584    H    THR  76           H        THR  76   6.607  -8.961   8.271
  585    HA   THR  76           HA       THR  76   5.924  -9.578  10.851
  586    HB   THR  76           HB       THR  76   6.554 -11.320   8.585
  587    HG1  THR  76          1HG       THR  76   4.418 -10.956   7.782
  588   1HG2  THR  76          2HG2      THR  76   5.253 -11.560  11.286
  589   2HG2  THR  76          1HG2      THR  76   4.406 -12.409  10.051
  590   3HG2  THR  76          3HG2      THR  76   6.149 -12.732  10.384
  591    H    GLN  77           H        GLN  77   8.523 -10.581   8.863
  592    HA   GLN  77           HA       GLN  77   9.199 -12.857  10.164
  593   1HB   GLN  77          2HB       GLN  77  10.848 -12.653   8.457
  594   2HB   GLN  77          1HB       GLN  77  11.024 -10.891   8.736
  595   1HG   GLN  77          2HG       GLN  77  12.420 -11.138  10.530
  596   2HG   GLN  77          1HG       GLN  77  11.837 -12.797  10.844
  597   1HE2  GLN  77          2HE2      GLN  77  14.078 -13.184   7.592
  598   2HE2  GLN  77          1HE2      GLN  77  12.585 -12.334   7.541
  599    H    ASN  78           H        ASN  78   8.856  -9.808  10.802
  600    HA   ASN  78           HA       ASN  78   9.553  -9.798  13.676
  601   1HB   ASN  78          2HB       ASN  78  11.069  -8.444  11.935
  602   2HB   ASN  78          1HB       ASN  78   9.700  -7.376  11.902
  603   1HD2  ASN  78          2HD2      ASN  78  12.139  -7.360  15.189
  604   2HD2  ASN  78          1HD2      ASN  78  12.392  -8.518  13.984
  605    H    ASN  79           H        ASN  79   8.014  -8.109  10.956
  606    HA   ASN  79           HA       ASN  79   5.360  -8.254  12.077
  607   1HB   ASN  79          2HB       ASN  79   7.047  -5.965  11.236
  608   2HB   ASN  79          1HB       ASN  79   5.361  -5.762  10.952
  609   1HD2  ASN  79          1HD2      ASN  79   4.736  -5.975  14.710
  610   2HD2  ASN  79          2HD2      ASN  79   4.258  -6.862  13.325
  611    H    ALA  80           H        ALA  80   3.787  -8.699  10.385
  612    HA   ALA  80           HA       ALA  80   4.592  -8.764   7.607
  613   1HB   ALA  80          2HB       ALA  80   2.444  -9.877   9.069
  614   2HB   ALA  80          1HB       ALA  80   1.740  -8.513   8.164
  615   3HB   ALA  80          3HB       ALA  80   2.607  -9.810   7.309
  616    H    MET  81           H        MET  81   4.638  -7.080   6.347
  617    HA   MET  81           HA       MET  81   4.298  -4.601   7.541
  618   1HB   MET  81          2HB       MET  81   5.329  -4.040   5.601
  619   2HB   MET  81          1HB       MET  81   4.939  -5.635   4.928
  620   1HG   MET  81          2HG       MET  81   2.709  -4.895   4.297
  621   2HG   MET  81          1HG       MET  81   3.106  -3.246   4.660
  622   1HE   MET  81          3HE       MET  81   1.883  -3.991   2.187
  623   2HE   MET  81          2HE       MET  81   2.816  -4.464   0.750
  624   3HE   MET  81          1HE       MET  81   2.568  -5.616   2.024
  625    H    LYS  82           H        LYS  82   2.768  -2.729   7.074
  626    HA   LYS  82           HA       LYS  82   0.005  -3.714   6.705
  627   1HB   LYS  82          2HB       LYS  82   1.196  -2.567   9.097
  628   2HB   LYS  82          1HB       LYS  82  -0.226  -1.668   8.572
  629   1HG   LYS  82          2HG       LYS  82  -0.571  -4.584   8.403
  630   2HG   LYS  82          1HG       LYS  82  -0.068  -4.063  10.022
  631   1HD   LYS  82          2HD       LYS  82  -1.927  -2.339   9.850
  632   2HD   LYS  82          1HD       LYS  82  -2.475  -3.153   8.396
  633   1HE   LYS  82          2HE       LYS  82  -2.543  -5.316   9.762
  634   2HE   LYS  82          1HE       LYS  82  -2.179  -4.348  11.157
  635   1HZ   LYS  82          1HZ       LYS  82  -4.511  -3.624   9.480
  636   2HZ   LYS  82          3HZ       LYS  82  -4.638  -4.858  10.619
  637   3HZ   LYS  82          2HZ       LYS  82  -4.245  -3.258  11.098
  638    H    ILE  83           H        ILE  83  -0.777  -2.790   5.108
  639    HA   ILE  83           HA       ILE  83  -0.285  -0.034   4.198
  640    HB   ILE  83           HB       ILE  83  -0.126  -2.705   2.769
  641   1HG1  ILE  83          2HG1      ILE  83   1.472  -0.115   2.807
  642   2HG1  ILE  83          1HG1      ILE  83   1.908  -1.662   3.457
  643   1HG2  ILE  83          1HG2      ILE  83  -1.719  -0.570   1.746
  644   2HG2  ILE  83          3HG2      ILE  83  -0.192  -0.580   0.896
  645   3HG2  ILE  83          2HG2      ILE  83  -1.159  -2.068   0.935
  646   1HD1  ILE  83          2HD1      ILE  83   1.382  -2.451   0.940
  647   2HD1  ILE  83          1HD1      ILE  83   1.810  -0.787   0.580
  648   3HD1  ILE  83          3HD1      ILE  83   2.973  -1.836   1.385
  649    H    SER  84           H        SER  84  -2.157   0.980   4.385
  650    HA   SER  84           HA       SER  84  -4.671  -0.560   4.375
  651   1HB   SER  84          2HB       SER  84  -4.271   1.960   5.899
  652   2HB   SER  84          1HB       SER  84  -5.589   0.772   6.060
  653    HG   SER  84           HG       SER  84  -4.018   0.431   7.725
  654    H    PHE  85           H        PHE  85  -5.564  -0.011   2.416
  655    HA   PHE  85           HA       PHE  85  -5.285   2.009   0.741
  656   1HB   PHE  85          2HB       PHE  85  -7.870   0.823   1.789
  657   2HB   PHE  85          1HB       PHE  85  -7.785   1.786   0.301
  658    HD1  PHE  85           HD2      PHE  85  -7.022  -1.370   1.973
  659    HD2  PHE  85           HD1      PHE  85  -6.737   0.769  -1.738
  660    HE1  PHE  85           HE2      PHE  85  -6.459  -3.521   0.805
  661    HE2  PHE  85           HE1      PHE  85  -6.188  -1.327  -2.900
  662    HZ   PHE  85           HZ       PHE  85  -6.048  -3.453  -1.636
  663    H    ALA  86           H        ALA  86  -6.599   4.219   0.482
  664    HA   ALA  86           HA       ALA  86  -6.869   5.421   3.081
  665   1HB   ALA  86          3HB       ALA  86  -7.035   6.243   0.198
  666   2HB   ALA  86          2HB       ALA  86  -7.798   7.333   1.340
  667   3HB   ALA  86          1HB       ALA  86  -6.080   6.914   1.513
  668    H    LYS  87           H        LYS  87  -8.758   3.267   3.014
  669    HA   LYS  87           HA       LYS  87 -11.190   3.663   1.805
  670   1HB   LYS  87          2HB       LYS  87 -12.056   2.068   3.353
  671   2HB   LYS  87          1HB       LYS  87 -10.419   1.627   2.951
  672   1HG   LYS  87          2HG       LYS  87  -9.545   2.613   5.023
  673   2HG   LYS  87          1HG       LYS  87 -11.150   3.121   5.492
  674   1HD   LYS  87          2HD       LYS  87 -10.835   0.282   4.685
  675   2HD   LYS  87          1HD       LYS  87 -10.004   0.748   6.186
  676   1HE   LYS  87          2HE       LYS  87 -12.572   1.980   6.229
  677   2HE   LYS  87          1HE       LYS  87 -12.821   0.283   5.761
  678   1HZ   LYS  87          1HZ       LYS  87 -11.284  -0.214   7.650
  679   2HZ   LYS  87          3HZ       LYS  87 -11.597   1.390   8.175
  680   3HZ   LYS  87          2HZ       LYS  87 -12.884   0.264   8.018
  681    H    LYS  88           H        LYS  88 -12.773   5.017   2.017
  682    HA   LYS  88           HA       LYS  88 -13.137   6.577   4.519
  683   1HB   LYS  88          2HB       LYS  88 -13.434   8.637   3.100
  684   2HB   LYS  88          1HB       LYS  88 -11.824   7.914   2.988
  685   1HG   LYS  88          2HG       LYS  88 -12.087   7.090   0.901
  686   2HG   LYS  88          1HG       LYS  88 -13.824   7.019   0.987
  687   1HD   LYS  88          2HD       LYS  88 -13.064   9.775   1.305
  688   2HD   LYS  88          1HD       LYS  88 -12.140   9.128  -0.048
  689   1HE   LYS  88          2HE       LYS  88 -14.189   8.559  -1.216
  690   2HE   LYS  88          1HE       LYS  88 -15.147   8.750   0.234
  691   1HZ   LYS  88          3HZ       LYS  88 -13.700  11.124  -0.311
  692   2HZ   LYS  88          2HZ       LYS  88 -14.555  10.649  -1.697
  693   3HZ   LYS  88          1HZ       LYS  88 -15.371  10.915  -0.237
   
  No H/Q in entry =         693
  Start of MODEL    2
    1   1H    MET   1          3H        MET   1 -20.047  16.991  -2.849
    2   2H    MET   1          2H        MET   1 -20.551  17.619  -1.348
    3   3H    MET   1          1H        MET   1 -20.819  18.506  -2.766
    4    HA   MET   1           HA       MET   1 -18.479  18.896  -2.986
    5   1HB   MET   1          2HB       MET   1 -20.091  19.726  -0.849
    6   2HB   MET   1          1HB       MET   1 -18.437  19.488  -0.219
    7   1HG   MET   1          2HG       MET   1 -18.644  20.891  -2.845
    8   2HG   MET   1          1HG       MET   1 -19.151  21.779  -1.442
    9   1HE   MET   1          1HE       MET   1 -17.238  23.034  -2.679
   10   2HE   MET   1          3HE       MET   1 -15.522  22.856  -2.353
   11   3HE   MET   1          2HE       MET   1 -16.312  21.841  -3.593
   12    H    ALA   2           H        ALA   2 -18.974  17.145   0.112
   13    HA   ALA   2           HA       ALA   2 -16.747  15.358  -0.569
   14   1HB   ALA   2          2HB       ALA   2 -16.291  17.779   0.933
   15   2HB   ALA   2          1HB       ALA   2 -15.992  16.394   1.999
   16   3HB   ALA   2          3HB       ALA   2 -15.136  16.568   0.469
   17    HA   PRO   3           HA       PRO   3 -19.910  13.540   2.282
   18   1HB   PRO   3          2HB       PRO   3 -20.750  11.715   0.409
   19   2HB   PRO   3          1HB       PRO   3 -21.503  13.263   0.738
   20   1HG   PRO   3          2HG       PRO   3 -20.099  12.540  -1.708
   21   2HG   PRO   3          1HG       PRO   3 -20.769  14.105  -1.280
   22   1HD   PRO   3          2HD       PRO   3 -17.984  13.181  -1.140
   23   2HD   PRO   3          1HD       PRO   3 -18.631  14.851  -1.336
   24    H    ALA   4           H        ALA   4 -18.302  11.550  -0.194
   25    HA   ALA   4           HA       ALA   4 -17.087   9.909   1.994
   26   1HB   ALA   4          2HB       ALA   4 -19.232   8.959   0.896
   27   2HB   ALA   4          1HB       ALA   4 -18.181   8.641  -0.467
   28   3HB   ALA   4          3HB       ALA   4 -17.823   7.902   1.103
   29    H    GLN   5           H        GLN   5 -16.127   8.107  -0.336
   30    HA   GLN   5           HA       GLN   5 -14.475   9.595  -2.098
   31   1HB   GLN   5          2HB       GLN   5 -12.896  10.238  -0.714
   32   2HB   GLN   5          1HB       GLN   5 -13.312   9.114   0.561
   33   1HG   GLN   5          2HG       GLN   5 -12.175   7.288  -0.713
   34   2HG   GLN   5          1HG       GLN   5 -11.823   8.437  -2.021
   35   1HE2  GLN   5          1HE2      GLN   5  -8.918   8.268   0.458
   36   2HE2  GLN   5          2HE2      GLN   5  -9.741   7.055  -0.422
   37    HA   PRO   6           HA       PRO   6 -13.384   4.837  -2.189
   38   1HB   PRO   6          2HB       PRO   6 -14.981   3.696  -0.015
   39   2HB   PRO   6          1HB       PRO   6 -13.249   3.482  -0.354
   40   1HG   PRO   6          2HG       PRO   6 -14.144   4.906   1.777
   41   2HG   PRO   6          1HG       PRO   6 -12.689   5.440   0.901
   42   1HD   PRO   6          2HD       PRO   6 -15.585   6.400   0.575
   43   2HD   PRO   6          1HD       PRO   6 -14.108   7.360   0.754
   44    H    LEU   7           H        LEU   7 -14.664   3.106  -3.200
   45    HA   LEU   7           HA       LEU   7 -17.212   4.051  -4.200
   46   1HB   LEU   7          2HB       LEU   7 -15.583   2.548  -5.440
   47   2HB   LEU   7          1HB       LEU   7 -16.245   1.218  -4.498
   48    HG   LEU   7           HG       LEU   7 -18.548   2.151  -5.329
   49   1HD1  LEU   7          3HD1      LEU   7 -17.208   4.181  -6.289
   50   2HD1  LEU   7          2HD1      LEU   7 -16.895   3.085  -7.663
   51   3HD1  LEU   7          1HD1      LEU   7 -18.556   3.500  -7.220
   52   1HD2  LEU   7          2HD2      LEU   7 -17.198   0.064  -6.007
   53   2HD2  LEU   7          1HD2      LEU   7 -18.548   0.539  -7.024
   54   3HD2  LEU   7          3HD2      LEU   7 -16.896   0.921  -7.520
   55    H    SER   8           H        SER   8 -16.659   0.862  -2.628
   56    HA   SER   8           HA       SER   8 -19.158   1.274  -1.042
   57   1HB   SER   8          2HB       SER   8 -17.924  -1.128  -2.383
   58   2HB   SER   8          1HB       SER   8 -19.121  -1.328  -1.071
   59    HG   SER   8           HG       SER   8 -19.447  -0.555  -3.656
   60    H    GLU   9           H        GLU   9 -18.687  -0.926   0.734
   61    HA   GLU   9           HA       GLU   9 -17.214   0.198   2.841
   62   1HB   GLU   9          2HB       GLU   9 -18.454  -2.328   2.208
   63   2HB   GLU   9          1HB       GLU   9 -16.892  -2.629   3.012
   64   1HG   GLU   9          2HG       GLU   9 -18.857  -0.631   4.110
   65   2HG   GLU   9          1HG       GLU   9 -18.913  -2.342   4.545
   66    H    ASN  10           H        ASN  10 -16.173  -2.625   0.923
   67    HA   ASN  10           HA       ASN  10 -13.695  -1.357   0.248
   68   1HB   ASN  10          2HB       ASN  10 -13.147  -1.608   2.563
   69   2HB   ASN  10          1HB       ASN  10 -13.624  -3.281   2.639
   70   1HD2  ASN  10          1HD2      ASN  10 -10.184  -4.088   2.021
   71   2HD2  ASN  10          2HD2      ASN  10 -11.587  -4.389   2.910
   72    HA   PRO  11           HA       PRO  11 -13.500  -6.371  -0.542
   73   1HB   PRO  11          2HB       PRO  11 -16.449  -6.545  -0.665
   74   2HB   PRO  11          1HB       PRO  11 -15.261  -7.722  -0.038
   75   1HG   PRO  11          2HG       PRO  11 -16.835  -5.796   1.485
   76   2HG   PRO  11          1HG       PRO  11 -15.584  -6.946   2.059
   77   1HD   PRO  11          2HD       PRO  11 -15.261  -4.179   1.996
   78   2HD   PRO  11          1HD       PRO  11 -13.948  -5.364   2.075
   79    HA   PRO  12           HA       PRO  12 -13.196  -7.743  -2.208
   80   1HB   PRO  12          2HB       PRO  12 -11.624  -7.364  -4.577
   81   2HB   PRO  12          1HB       PRO  12 -12.908  -8.592  -4.300
   82   1HG   PRO  12          2HG       PRO  12 -13.075  -6.341  -6.008
   83   2HG   PRO  12          1HG       PRO  12 -14.344  -7.538  -5.562
   84   1HD   PRO  12          2HD       PRO  12 -14.018  -4.694  -4.750
   85   2HD   PRO  12          1HD       PRO  12 -15.474  -5.709  -4.576
   86    H    ASN  13           H        ASN  13 -10.442  -7.702  -2.554
   87    HA   ASN  13           HA       ASN  13  -9.914  -5.302  -1.014
   88   1HB   ASN  13          2HB       ASN  13  -7.952  -7.494  -1.772
   89   2HB   ASN  13          1HB       ASN  13  -7.543  -6.088  -0.768
   90   1HD2  ASN  13          1HD2      ASN  13  -9.426  -7.172   2.017
   91   2HD2  ASN  13          2HD2      ASN  13  -8.745  -5.817   1.269
   92    H    HIS  14           H        HIS  14  -7.459  -4.468  -1.749
   93    HA   HIS  14           HA       HIS  14  -6.589  -3.555  -4.079
   94   1HB   HIS  14          2HB       HIS  14  -7.964  -1.469  -4.620
   95   2HB   HIS  14          1HB       HIS  14  -8.608  -2.978  -5.176
   96    HD1  HIS  14           HD1      HIS  14  -8.671  -0.663  -2.172
   97    HD2  HIS  14           HD2      HIS  14 -11.423  -3.124  -4.128
   98    HE1  HIS  14           HE1      HIS  14 -10.874  -0.299  -1.039
   99    HE2  HIS  14           HE2      HIS  14 -12.580  -1.791  -2.198
  100    H    ILE  15           H        ILE  15  -6.965  -2.890  -0.842
  101    HA   ILE  15           HA       ILE  15  -5.452  -0.322  -0.860
  102    HB   ILE  15           HB       ILE  15  -8.049  -0.835   0.374
  103   1HG1  ILE  15          2HG1      ILE  15  -6.403   1.666   0.171
  104   2HG1  ILE  15          1HG1      ILE  15  -7.417   0.974  -1.137
  105   1HG2  ILE  15          2HG2      ILE  15  -5.654  -0.048   2.045
  106   2HG2  ILE  15          1HG2      ILE  15  -7.243   0.519   2.453
  107   3HG2  ILE  15          3HG2      ILE  15  -6.940  -1.227   2.457
  108   1HD1  ILE  15          3HD1      ILE  15  -8.601   1.588   1.539
  109   2HD1  ILE  15          2HD1      ILE  15  -8.458   2.851   0.352
  110   3HD1  ILE  15          1HD1      ILE  15  -9.358   1.395  -0.072
  111    H    LEU  16           H        LEU  16  -3.542  -0.834   0.150
  112    HA   LEU  16           HA       LEU  16  -3.481  -3.049   2.153
  113   1HB   LEU  16          2HB       LEU  16  -1.172  -2.385   0.353
  114   2HB   LEU  16          1HB       LEU  16  -1.550  -3.879   1.260
  115    HG   LEU  16           HG       LEU  16  -3.469  -3.197  -0.872
  116   1HD1  LEU  16          1HD1      LEU  16  -0.572  -3.639  -1.319
  117   2HD1  LEU  16          3HD1      LEU  16  -1.708  -4.352  -2.431
  118   3HD1  LEU  16          2HD1      LEU  16  -1.689  -2.577  -2.178
  119   1HD2  LEU  16          3HD2      LEU  16  -2.743  -5.345   0.726
  120   2HD2  LEU  16          2HD2      LEU  16  -3.941  -5.335  -0.561
  121   3HD2  LEU  16          1HD2      LEU  16  -2.255  -5.793  -0.905
  122    H    PHE  17           H        PHE  17  -3.216  -2.297   4.000
  123    HA   PHE  17           HA       PHE  17  -1.608   0.103   4.533
  124   1HB   PHE  17          2HB       PHE  17  -3.694   0.822   5.302
  125   2HB   PHE  17          1HB       PHE  17  -4.120  -0.829   5.852
  126    HD1  PHE  17           HD1      PHE  17  -1.413   1.774   6.274
  127    HD2  PHE  17           HD2      PHE  17  -3.747  -1.276   8.197
  128    HE1  PHE  17           HE1      PHE  17  -0.269   2.308   8.319
  129    HE2  PHE  17           HE2      PHE  17  -2.549  -0.727  10.357
  130    HZ   PHE  17           HZ       PHE  17  -0.831   1.036  10.409
  131    H    LEU  18           H        LEU  18  -0.058  -0.159   5.833
  132    HA   LEU  18           HA       LEU  18   0.090  -1.638   8.084
  133   1HB   LEU  18          2HB       LEU  18   0.732  -3.637   6.011
  134   2HB   LEU  18          1HB       LEU  18   1.708  -3.598   7.409
  135    HG   LEU  18           HG       LEU  18  -1.219  -3.736   7.750
  136   1HD1  LEU  18          1HD1      LEU  18   0.291  -5.759   6.833
  137   2HD1  LEU  18          3HD1      LEU  18   1.025  -5.662   8.448
  138   3HD1  LEU  18          2HD1      LEU  18  -0.667  -6.039   8.282
  139   1HD2  LEU  18          3HD2      LEU  18   1.104  -3.217   9.511
  140   2HD2  LEU  18          2HD2      LEU  18  -0.614  -2.822   9.764
  141   3HD2  LEU  18          1HD2      LEU  18  -0.008  -4.444  10.026
  142    H    THR  19           H        THR  19   2.744  -2.269   8.080
  143    HA   THR  19           HA       THR  19   4.052   0.323   7.605
  144    HB   THR  19           HB       THR  19   4.544   0.508  10.090
  145    HG1  THR  19          1HG       THR  19   3.123  -0.916  11.366
  146   1HG2  THR  19          3HG2      THR  19   1.869   0.890   8.949
  147   2HG2  THR  19          2HG2      THR  19   1.709   0.278  10.566
  148   3HG2  THR  19          1HG2      THR  19   2.559   1.785  10.336
  149    H    ASN  20           H        ASN  20   6.164   0.013   8.756
  150    HA   ASN  20           HA       ASN  20   7.774  -1.281   9.727
  151   1HB   ASN  20          2HB       ASN  20   6.445  -3.453   9.495
  152   2HB   ASN  20          1HB       ASN  20   7.267  -3.640   7.913
  153   1HD2  ASN  20          1HD2      ASN  20  10.185  -4.756   9.535
  154   2HD2  ASN  20          2HD2      ASN  20   9.245  -4.665   8.141
  155    H    LEU  21           H        LEU  21   7.643   0.699   7.747
  156    HA   LEU  21           HA       LEU  21   9.740  -0.167   5.808
  157   1HB   LEU  21          2HB       LEU  21   8.294   2.454   5.901
  158   2HB   LEU  21          1HB       LEU  21   9.100   1.712   4.517
  159    HG   LEU  21           HG       LEU  21   6.988   1.138   3.873
  160   1HD1  LEU  21          2HD1      LEU  21   7.939  -1.038   5.194
  161   2HD1  LEU  21          1HD1      LEU  21   6.505  -0.728   6.122
  162   3HD1  LEU  21          3HD1      LEU  21   6.338  -0.969   4.402
  163   1HD2  LEU  21          1HD2      LEU  21   6.152   1.735   6.721
  164   2HD2  LEU  21          3HD2      LEU  21   5.842   2.640   5.249
  165   3HD2  LEU  21          2HD2      LEU  21   5.075   1.053   5.508
  166    HA   PRO  22           HA       PRO  22  12.733   1.872   8.243
  167   1HB   PRO  22          2HB       PRO  22  14.430   2.789   6.232
  168   2HB   PRO  22          1HB       PRO  22  14.349   1.153   6.870
  169   1HG   PRO  22          2HG       PRO  22  13.373   2.078   4.248
  170   2HG   PRO  22          1HG       PRO  22  13.904   0.448   4.747
  171   1HD   PRO  22          2HD       PRO  22  11.251   1.356   4.472
  172   2HD   PRO  22          1HD       PRO  22  11.704  -0.123   5.313
  173    H    GLU  23           H        GLU  23  14.178   4.014   7.977
  174    HA   GLU  23           HA       GLU  23  12.265   6.306   7.799
  175   1HB   GLU  23          2HB       GLU  23  15.008   6.052   9.079
  176   2HB   GLU  23          1HB       GLU  23  14.012   7.537   9.150
  177   1HG   GLU  23          2HG       GLU  23  12.422   6.611  10.577
  178   2HG   GLU  23          1HG       GLU  23  12.850   4.964  10.030
  179    H    GLU  24           H        GLU  24  14.959   4.799   6.328
  180    HA   GLU  24           HA       GLU  24  15.748   7.195   4.809
  181   1HB   GLU  24          2HB       GLU  24  16.585   4.449   3.928
  182   2HB   GLU  24          1HB       GLU  24  17.532   5.955   4.044
  183   1HG   GLU  24          2HG       GLU  24  17.338   5.669   6.596
  184   2HG   GLU  24          1HG       GLU  24  16.801   4.047   6.236
  185    H    THR  25           H        THR  25  13.272   5.093   4.791
  186    HA   THR  25           HA       THR  25  12.816   4.706   1.934
  187    HB   THR  25           HB       THR  25  11.971   3.572   4.316
  188    HG1  THR  25          1HG       THR  25  11.919   2.838   1.985
  189   1HG2  THR  25          3HG2      THR  25  10.448   5.555   4.612
  190   2HG2  THR  25          2HG2      THR  25   9.541   4.989   3.241
  191   3HG2  THR  25          1HG2      THR  25   9.662   3.994   4.681
  192    H    ASN  26           H        ASN  26  10.750   5.755   0.900
  193    HA   ASN  26           HA       ASN  26   9.916   8.148   2.384
  194   1HB   ASN  26          2HB       ASN  26  10.869   9.843   1.213
  195   2HB   ASN  26          1HB       ASN  26  12.152   8.603   1.290
  196   1HD2  ASN  26          2HD2      ASN  26  12.423   8.581  -2.255
  197   2HD2  ASN  26          1HD2      ASN  26  13.192   8.278  -0.780
  198    H    GLU  27           H        GLU  27   8.298   9.422   1.291
  199    HA   GLU  27           HA       GLU  27   6.030   8.089   0.338
  200   1HB   GLU  27          2HB       GLU  27   5.642  10.160   1.130
  201   2HB   GLU  27          1HB       GLU  27   6.771  10.964  -0.010
  202   1HG   GLU  27          2HG       GLU  27   5.251  10.341  -1.849
  203   2HG   GLU  27          1HG       GLU  27   4.217   9.518  -0.643
  204    H    LEU  28           H        LEU  28   8.514   9.814  -1.557
  205    HA   LEU  28           HA       LEU  28   7.226   9.532  -4.089
  206   1HB   LEU  28          2HB       LEU  28   8.620  11.436  -3.793
  207   2HB   LEU  28          1HB       LEU  28  10.008  10.378  -3.381
  208    HG   LEU  28           HG       LEU  28   9.756   9.482  -5.788
  209   1HD1  LEU  28          3HD1      LEU  28   7.418  10.357  -6.151
  210   2HD1  LEU  28          2HD1      LEU  28   8.115  11.989  -6.183
  211   3HD1  LEU  28          1HD1      LEU  28   8.546  10.817  -7.387
  212   1HD2  LEU  28          2HD2      LEU  28  10.715  12.164  -4.950
  213   2HD2  LEU  28          1HD2      LEU  28  11.591  10.872  -5.739
  214   3HD2  LEU  28          3HD2      LEU  28  10.546  11.930  -6.666
  215    H    MET  29           H        MET  29   9.387   7.762  -2.091
  216    HA   MET  29           HA       MET  29  10.697   6.125  -4.039
  217   1HB   MET  29          2HB       MET  29  11.217   6.652  -1.595
  218   2HB   MET  29          1HB       MET  29  10.067   5.452  -1.108
  219   1HG   MET  29          2HG       MET  29  11.651   4.149  -3.033
  220   2HG   MET  29          1HG       MET  29  12.833   5.057  -2.115
  221   1HE   MET  29          2HE       MET  29  12.294   1.950  -2.425
  222   2HE   MET  29          1HE       MET  29  13.709   2.555  -1.575
  223   3HE   MET  29          3HE       MET  29  12.702   1.291  -0.828
  224    H    LEU  30           H        LEU  30   8.180   5.520  -1.635
  225    HA   LEU  30           HA       LEU  30   7.147   3.089  -2.850
  226   1HB   LEU  30          2HB       LEU  30   6.217   4.982  -0.671
  227   2HB   LEU  30          1HB       LEU  30   5.270   3.578  -1.092
  228    HG   LEU  30           HG       LEU  30   7.762   3.819   0.424
  229   1HD1  LEU  30          2HD1      LEU  30   5.339   2.924   1.023
  230   2HD1  LEU  30          1HD1      LEU  30   5.993   1.397   0.449
  231   3HD1  LEU  30          3HD1      LEU  30   6.786   2.243   1.778
  232   1HD2  LEU  30          1HD2      LEU  30   7.484   1.507  -1.483
  233   2HD2  LEU  30          3HD2      LEU  30   8.742   2.784  -1.488
  234   3HD2  LEU  30          2HD2      LEU  30   8.677   1.628  -0.154
  235    H    SER  31           H        SER  31   6.649   6.571  -3.295
  236    HA   SER  31           HA       SER  31   4.152   6.634  -4.452
  237   1HB   SER  31          2HB       SER  31   5.289   8.739  -4.115
  238   2HB   SER  31          1HB       SER  31   6.579   8.204  -5.236
  239    HG   SER  31           HG       SER  31   4.090   9.205  -5.699
  240    H    MET  32           H        MET  32   7.342   6.364  -5.918
  241    HA   MET  32           HA       MET  32   6.581   5.803  -8.647
  242   1HB   MET  32          2HB       MET  32   9.166   5.261  -7.212
  243   2HB   MET  32          1HB       MET  32   8.914   5.217  -8.926
  244   1HG   MET  32          2HG       MET  32   7.900   7.707  -7.990
  245   2HG   MET  32          1HG       MET  32   9.525   7.555  -7.331
  246   1HE   MET  32          1HE       MET  32   7.261   6.846 -10.140
  247   2HE   MET  32          3HE       MET  32   7.701   8.194 -11.206
  248   3HE   MET  32          2HE       MET  32   8.284   6.570 -11.533
  249    H    LEU  33           H        LEU  33   7.429   3.700  -5.794
  250    HA   LEU  33           HA       LEU  33   7.704   1.271  -7.315
  251   1HB   LEU  33          2HB       LEU  33   7.435   2.147  -4.489
  252   2HB   LEU  33          1HB       LEU  33   6.918   0.483  -4.860
  253    HG   LEU  33           HG       LEU  33   9.592   1.645  -5.666
  254   1HD1  LEU  33          1HD1      LEU  33   9.257   1.874  -3.173
  255   2HD1  LEU  33          3HD1      LEU  33   9.026   0.150  -3.066
  256   3HD1  LEU  33          2HD1      LEU  33  10.577   0.739  -3.573
  257   1HD2  LEU  33          1HD2      LEU  33   8.416  -0.848  -6.197
  258   2HD2  LEU  33          3HD2      LEU  33  10.142  -0.407  -6.367
  259   3HD2  LEU  33          2HD2      LEU  33   9.539  -1.186  -4.908
  260    H    PHE  34           H        PHE  34   5.259   3.095  -5.714
  261    HA   PHE  34           HA       PHE  34   3.249   1.022  -6.123
  262   1HB   PHE  34          2HB       PHE  34   3.030   3.856  -4.946
  263   2HB   PHE  34          1HB       PHE  34   1.608   2.913  -5.231
  264    HD1  PHE  34           HD1      PHE  34   2.261   0.258  -4.693
  265    HD2  PHE  34           HD2      PHE  34   3.605   3.669  -2.457
  266    HE1  PHE  34           HE1      PHE  34   2.596  -1.174  -2.695
  267    HE2  PHE  34           HE2      PHE  34   3.940   2.317  -0.559
  268    HZ   PHE  34           HZ       PHE  34   3.414  -0.201  -0.654
  269    H    ASN  35           H        ASN  35   4.469   3.776  -7.641
  270    HA   ASN  35           HA       ASN  35   2.452   4.316  -9.559
  271   1HB   ASN  35          2HB       ASN  35   4.729   5.656  -9.087
  272   2HB   ASN  35          1HB       ASN  35   5.420   4.522 -10.235
  273   1HD2  ASN  35          2HD2      ASN  35   3.427   5.817 -12.945
  274   2HD2  ASN  35          1HD2      ASN  35   3.855   4.321 -12.303
  275    H    GLN  36           H        GLN  36   5.156   2.138  -9.473
  276    HA   GLN  36           HA       GLN  36   5.629   0.937 -11.773
  277   1HB   GLN  36          2HB       GLN  36   4.573  -0.299  -9.256
  278   2HB   GLN  36          1HB       GLN  36   5.209  -1.310 -10.519
  279   1HG   GLN  36          2HG       GLN  36   6.810   0.973  -9.255
  280   2HG   GLN  36          1HG       GLN  36   6.992  -0.683  -8.753
  281   1HE2  GLN  36          1HE2      GLN  36   8.586  -1.709 -11.803
  282   2HE2  GLN  36          2HE2      GLN  36   7.536  -2.294 -10.635
  283    H    PHE  37           H        PHE  37   2.634   0.558 -10.022
  284    HA   PHE  37           HA       PHE  37   1.294  -1.064 -12.003
  285   1HB   PHE  37          2HB       PHE  37   0.527  -0.286  -9.176
  286   2HB   PHE  37          1HB       PHE  37  -0.438  -1.266 -10.217
  287    HD1  PHE  37           HD1      PHE  37   0.590  -3.431 -11.265
  288    HD2  PHE  37           HD2      PHE  37   2.583  -1.177  -8.198
  289    HE1  PHE  37           HE1      PHE  37   2.083  -5.319 -10.826
  290    HE2  PHE  37           HE2      PHE  37   4.085  -3.128  -7.776
  291    HZ   PHE  37           HZ       PHE  37   3.842  -5.155  -9.072
  292    HA   PRO  38           HA       PRO  38  -0.941   2.329 -13.957
  293   1HB   PRO  38          2HB       PRO  38  -3.104   0.735 -14.749
  294   2HB   PRO  38          1HB       PRO  38  -1.594   0.912 -15.674
  295   1HG   PRO  38          2HG       PRO  38  -2.425  -1.390 -13.934
  296   2HG   PRO  38          1HG       PRO  38  -1.487  -1.339 -15.460
  297   1HD   PRO  38          2HD       PRO  38  -0.338  -1.642 -12.974
  298   2HD   PRO  38          1HD       PRO  38   0.460  -0.828 -14.330
  299    H    GLY  39           H        GLY  39  -2.140   0.082 -11.633
  300   1HA   GLY  39          2HA       GLY  39  -4.693   1.388 -11.020
  301   2HA   GLY  39          1HA       GLY  39  -3.881   0.040 -10.169
  302    H    PHE  40           H        PHE  40  -1.623   2.203 -10.422
  303    HA   PHE  40           HA       PHE  40  -1.189   2.902  -7.741
  304   1HB   PHE  40          2HB       PHE  40   0.490   3.343  -9.366
  305   2HB   PHE  40          1HB       PHE  40  -0.629   4.391 -10.279
  306    HD1  PHE  40           HD2      PHE  40   0.777   4.078  -6.871
  307    HD2  PHE  40           HD1      PHE  40  -0.299   6.736 -10.039
  308    HE1  PHE  40           HE2      PHE  40   1.616   6.040  -5.582
  309    HE2  PHE  40           HE1      PHE  40   0.525   8.675  -8.754
  310    HZ   PHE  40           HZ       PHE  40   1.500   8.325  -6.500
  311    H    LYS  41           H        LYS  41  -2.950   3.716  -6.528
  312    HA   LYS  41           HA       LYS  41  -4.424   6.063  -7.688
  313   1HB   LYS  41          2HB       LYS  41  -5.526   3.719  -6.820
  314   2HB   LYS  41          1HB       LYS  41  -5.632   4.722  -5.399
  315   1HG   LYS  41          2HG       LYS  41  -6.506   5.887  -7.972
  316   2HG   LYS  41          1HG       LYS  41  -7.608   4.864  -7.038
  317   1HD   LYS  41          2HD       LYS  41  -6.785   6.332  -4.979
  318   2HD   LYS  41          1HD       LYS  41  -6.222   7.409  -6.225
  319   1HE   LYS  41          2HE       LYS  41  -8.843   6.798  -7.094
  320   2HE   LYS  41          1HE       LYS  41  -8.953   6.857  -5.315
  321   1HZ   LYS  41          2HZ       LYS  41  -7.660   8.984  -5.562
  322   2HZ   LYS  41          1HZ       LYS  41  -8.185   8.999  -7.198
  323   3HZ   LYS  41          3HZ       LYS  41  -9.317   9.029  -5.955
  324    H    GLU  42           H        GLU  42  -3.747   4.770  -4.385
  325    HA   GLU  42           HA       GLU  42  -3.119   7.522  -3.547
  326   1HB   GLU  42          2HB       GLU  42  -5.457   6.429  -2.920
  327   2HB   GLU  42          1HB       GLU  42  -4.505   5.800  -1.556
  328   1HG   GLU  42          2HG       GLU  42  -5.119   7.855  -0.728
  329   2HG   GLU  42          1HG       GLU  42  -3.637   8.323  -1.497
  330    H    VAL  43           H        VAL  43  -1.533   7.639  -2.094
  331    HA   VAL  43           HA       VAL  43  -0.132   5.300  -1.045
  332    HB   VAL  43           HB       VAL  43   2.058   6.276  -1.943
  333   1HG1  VAL  43          3HG1      VAL  43   0.589   4.311  -2.838
  334   2HG1  VAL  43          2HG1      VAL  43   0.197   5.398  -4.151
  335   3HG1  VAL  43          1HG1      VAL  43   1.875   4.950  -3.865
  336   1HG2  VAL  43          2HG2      VAL  43   0.305   8.306  -2.801
  337   2HG2  VAL  43          1HG2      VAL  43   1.981   8.090  -3.316
  338   3HG2  VAL  43          3HG2      VAL  43   0.661   7.401  -4.280
  339    H    ARG  44           H        ARG  44   0.179   5.775   1.036
  340    HA   ARG  44           HA       ARG  44   0.587   8.557   1.811
  341   1HB   ARG  44          2HB       ARG  44  -1.745   7.396   2.280
  342   2HB   ARG  44          1HB       ARG  44  -0.861   6.795   3.703
  343   1HG   ARG  44          2HG       ARG  44  -0.095   9.330   3.832
  344   2HG   ARG  44          1HG       ARG  44  -1.564   9.565   2.855
  345   1HD   ARG  44          2HD       ARG  44  -1.960   9.847   5.280
  346   2HD   ARG  44          1HD       ARG  44  -2.980   8.635   4.538
  347    HE   ARG  44           HE       ARG  44  -0.750   7.234   5.544
  348   1HH1  ARG  44          1HH1      ARG  44  -1.457   9.741   7.369
  349   2HH1  ARG  44          2HH1      ARG  44  -2.135   8.912   8.717
  350   1HH2  ARG  44          1HH2      ARG  44  -2.359   5.890   6.957
  351   2HH2  ARG  44          2HH2      ARG  44  -2.655   6.683   8.460
  352    H    LEU  45           H        LEU  45   2.674   8.382   2.178
  353    HA   LEU  45           HA       LEU  45   3.514   7.048   4.527
  354   1HB   LEU  45          2HB       LEU  45   4.049   5.101   3.731
  355   2HB   LEU  45          1HB       LEU  45   4.018   5.642   2.045
  356    HG   LEU  45           HG       LEU  45   6.392   6.575   3.606
  357   1HD1  LEU  45          2HD1      LEU  45   5.453   3.738   3.645
  358   2HD1  LEU  45          1HD1      LEU  45   7.064   3.940   3.020
  359   3HD1  LEU  45          3HD1      LEU  45   6.698   4.509   4.643
  360   1HD2  LEU  45          2HD2      LEU  45   5.642   6.383   1.068
  361   2HD2  LEU  45          1HD2      LEU  45   7.362   6.225   1.558
  362   3HD2  LEU  45          3HD2      LEU  45   6.321   4.797   1.242
  363    H    VAL  46           H        VAL  46   4.142   9.166   5.055
  364    HA   VAL  46           HA       VAL  46   6.641  10.093   3.762
  365    HB   VAL  46           HB       VAL  46   4.520  10.839   2.450
  366   1HG1  VAL  46          2HG1      VAL  46   4.328  12.800   4.722
  367   2HG1  VAL  46          1HG1      VAL  46   3.713  13.058   3.120
  368   3HG1  VAL  46          3HG1      VAL  46   3.067  11.727   4.068
  369   1HG2  VAL  46          3HG2      VAL  46   7.108  12.027   3.064
  370   2HG2  VAL  46          2HG2      VAL  46   6.178  12.189   1.560
  371   3HG2  VAL  46          1HG2      VAL  46   5.986  13.338   2.877
  372    HA   PRO  47           HA       PRO  47   5.550  13.200   7.220
  373   1HB   PRO  47          2HB       PRO  47   4.390  11.950   9.479
  374   2HB   PRO  47          1HB       PRO  47   3.758  13.294   8.461
  375   1HG   PRO  47          2HG       PRO  47   2.733  10.619   8.499
  376   2HG   PRO  47          1HG       PRO  47   2.278  11.911   7.361
  377   1HD   PRO  47          2HD       PRO  47   3.993   9.646   6.897
  378   2HD   PRO  47          1HD       PRO  47   3.258  10.775   5.703
  379    H    GLY  48           H        GLY  48   5.987  12.939   9.960
  380   1HA   GLY  48          2HA       GLY  48   8.698  12.434  10.105
  381   2HA   GLY  48          1HA       GLY  48   7.655  12.443  11.523
  382    H    ARG  49           H        ARG  49   5.910  10.484  10.238
  383    HA   ARG  49           HA       ARG  49   6.781   7.965  11.254
  384   1HB   ARG  49          2HB       ARG  49   4.866   8.898   9.127
  385   2HB   ARG  49          1HB       ARG  49   5.021   7.166   9.485
  386   1HG   ARG  49          2HG       ARG  49   4.566   9.113  11.725
  387   2HG   ARG  49          1HG       ARG  49   3.200   8.670  10.709
  388   1HD   ARG  49          2HD       ARG  49   3.076   6.896  12.146
  389   2HD   ARG  49          1HD       ARG  49   4.287   6.198  11.076
  390    HE   ARG  49           HE       ARG  49   6.034   6.817  12.596
  391   1HH1  ARG  49          1HH1      ARG  49   6.127   8.761  14.264
  392   2HH1  ARG  49          2HH1      ARG  49   5.117   8.489  15.631
  393   1HH2  ARG  49          1HH2      ARG  49   3.306   5.923  14.104
  394   2HH2  ARG  49          2HH2      ARG  49   3.481   6.830  15.560
  395    H    HIS  50           H        HIS  50   6.123   8.136   7.822
  396    HA   HIS  50           HA       HIS  50   7.123   7.419   5.973
  397   1HB   HIS  50          2HB       HIS  50   9.796   6.931   7.233
  398   2HB   HIS  50          1HB       HIS  50   9.437   7.489   5.582
  399    HD1  HIS  50           HD1      HIS  50   9.193   9.985   5.165
  400    HD2  HIS  50           HD2      HIS  50  10.169   9.129   9.055
  401    HE1  HIS  50           HE1      HIS  50   9.892  12.176   6.124
  402    HE2  HIS  50           HE2      HIS  50  10.511  11.702   8.570
  403    H    ASP  51           H        ASP  51   6.321   5.972   8.472
  404    HA   ASP  51           HA       ASP  51   7.481   3.349   7.795
  405   1HB   ASP  51          2HB       ASP  51   7.834   2.699  10.047
  406   2HB   ASP  51          1HB       ASP  51   8.479   4.333   9.923
  407    H    ILE  52           H        ILE  52   4.682   4.922   7.898
  408    HA   ILE  52           HA       ILE  52   3.074   2.459   8.210
  409    HB   ILE  52           HB       ILE  52   1.191   3.554   8.901
  410   1HG1  ILE  52          2HG1      ILE  52   2.510   6.170   8.210
  411   2HG1  ILE  52          1HG1      ILE  52   1.049   5.431   7.606
  412   1HG2  ILE  52          3HG2      ILE  52   3.599   3.774  10.425
  413   2HG2  ILE  52          2HG2      ILE  52   2.666   5.256  10.711
  414   3HG2  ILE  52          1HG2      ILE  52   1.943   3.652  11.011
  415   1HD1  ILE  52          3HD1      ILE  52   0.396   5.570  10.243
  416   2HD1  ILE  52          2HD1      ILE  52   1.444   7.005  10.006
  417   3HD1  ILE  52          1HD1      ILE  52  -0.003   6.809   9.046
  418    H    ALA  53           H        ALA  53   2.496   1.829   6.250
  419    HA   ALA  53           HA       ALA  53   2.319   3.846   4.089
  420   1HB   ALA  53          1HB       ALA  53   3.493   1.129   4.281
  421   2HB   ALA  53          3HB       ALA  53   2.599   1.456   2.770
  422   3HB   ALA  53          2HB       ALA  53   3.952   2.477   3.261
  423    H    PHE  54           H        PHE  54   0.438   4.203   3.337
  424    HA   PHE  54           HA       PHE  54  -1.711   2.224   3.284
  425   1HB   PHE  54          2HB       PHE  54  -1.761   4.699   4.546
  426   2HB   PHE  54          1HB       PHE  54  -2.413   5.053   2.943
  427    HD1  PHE  54           HD1      PHE  54  -4.571   3.784   2.181
  428    HD2  PHE  54           HD2      PHE  54  -2.968   3.596   6.230
  429    HE1  PHE  54           HE1      PHE  54  -6.711   2.952   3.018
  430    HE2  PHE  54           HE2      PHE  54  -5.118   2.776   7.018
  431    HZ   PHE  54           HZ       PHE  54  -7.008   2.430   5.470
  432    H    VAL  55           H        VAL  55  -1.749   1.352   1.419
  433    HA   VAL  55           HA       VAL  55  -1.329   2.976  -1.093
  434    HB   VAL  55           HB       VAL  55  -0.742   0.127  -0.344
  435   1HG1  VAL  55          2HG1      VAL  55  -0.202   1.676  -2.947
  436   2HG1  VAL  55          1HG1      VAL  55   0.399   0.066  -2.584
  437   3HG1  VAL  55          3HG1      VAL  55  -1.356   0.393  -2.758
  438   1HG2  VAL  55          2HG2      VAL  55   0.624   2.299   0.450
  439   2HG2  VAL  55          1HG2      VAL  55   1.438   0.790  -0.025
  440   3HG2  VAL  55          3HG2      VAL  55   1.272   2.159  -1.168
  441    H    GLU  56           H        GLU  56  -3.175   3.369  -1.822
  442    HA   GLU  56           HA       GLU  56  -5.344   1.457  -2.105
  443   1HB   GLU  56          2HB       GLU  56  -5.786   3.814  -1.345
  444   2HB   GLU  56          1HB       GLU  56  -5.288   4.357  -2.964
  445   1HG   GLU  56          2HG       GLU  56  -7.096   2.802  -3.918
  446   2HG   GLU  56          1HG       GLU  56  -7.607   2.572  -2.231
  447    H    PHE  57           H        PHE  57  -5.049   0.205  -3.793
  448    HA   PHE  57           HA       PHE  57  -3.970   1.088  -6.412
  449   1HB   PHE  57          2HB       PHE  57  -4.457  -1.604  -5.024
  450   2HB   PHE  57          1HB       PHE  57  -4.165  -1.444  -6.730
  451    HD1  PHE  57           HD2      PHE  57  -2.021  -0.478  -7.595
  452    HD2  PHE  57           HD1      PHE  57  -2.689  -1.639  -3.536
  453    HE1  PHE  57           HE2      PHE  57   0.456  -0.613  -7.231
  454    HE2  PHE  57           HE1      PHE  57  -0.253  -1.785  -3.137
  455    HZ   PHE  57           HZ       PHE  57   1.297  -1.292  -4.980
  456    H    ASP  58           H        ASP  58  -5.631   1.867  -7.530
  457    HA   ASP  58           HA       ASP  58  -8.205   1.646  -7.620
  458   1HB   ASP  58          2HB       ASP  58  -6.744   2.714  -9.394
  459   2HB   ASP  58          1HB       ASP  58  -6.767   1.132 -10.195
  460    H    ASN  59           H        ASN  59  -6.170  -1.189  -8.641
  461    HA   ASN  59           HA       ASN  59  -8.573  -2.789  -8.226
  462   1HB   ASN  59          2HB       ASN  59  -8.843  -2.963 -10.507
  463   2HB   ASN  59          1HB       ASN  59  -7.228  -2.247 -10.800
  464   1HD2  ASN  59          2HD2      ASN  59  -7.704  -6.240 -11.141
  465   2HD2  ASN  59          1HD2      ASN  59  -9.017  -5.213 -10.823
  466    H    GLU  60           H        GLU  60  -8.290  -4.754  -7.513
  467    HA   GLU  60           HA       GLU  60  -6.026  -5.338  -5.947
  468   1HB   GLU  60          2HB       GLU  60  -7.224  -7.569  -5.595
  469   2HB   GLU  60          1HB       GLU  60  -8.065  -6.068  -5.217
  470   1HG   GLU  60          2HG       GLU  60  -9.736  -6.749  -6.646
  471   2HG   GLU  60          1HG       GLU  60  -8.575  -6.695  -7.981
  472    H    VAL  61           H        VAL  61  -6.411  -6.178  -9.360
  473    HA   VAL  61           HA       VAL  61  -4.607  -8.492  -9.244
  474    HB   VAL  61           HB       VAL  61  -5.491  -6.691 -11.537
  475   1HG1  VAL  61          2HG1      VAL  61  -3.145  -8.445 -11.298
  476   2HG1  VAL  61          1HG1      VAL  61  -4.212  -8.903 -12.621
  477   3HG1  VAL  61          3HG1      VAL  61  -3.599  -7.252 -12.536
  478   1HG2  VAL  61          1HG2      VAL  61  -7.163  -8.377 -10.750
  479   2HG2  VAL  61          3HG2      VAL  61  -6.564  -8.606 -12.395
  480   3HG2  VAL  61          2HG2      VAL  61  -5.987  -9.643 -11.090
  481    H    GLN  62           H        GLN  62  -4.453  -5.098  -9.870
  482    HA   GLN  62           HA       GLN  62  -1.502  -5.044 -10.001
  483   1HB   GLN  62          2HB       GLN  62  -2.852  -2.483  -9.417
  484   2HB   GLN  62          1HB       GLN  62  -1.555  -2.772 -10.519
  485   1HG   GLN  62          2HG       GLN  62  -2.889  -2.829 -12.307
  486   2HG   GLN  62          1HG       GLN  62  -3.890  -4.022 -11.520
  487   1HE2  GLN  62          2HE2      GLN  62  -5.892  -0.789 -11.971
  488   2HE2  GLN  62          1HE2      GLN  62  -4.851  -1.541 -13.057
  489    H    ALA  63           H        ALA  63  -3.946  -4.446  -7.437
  490    HA   ALA  63           HA       ALA  63  -1.950  -3.366  -5.733
  491   1HB   ALA  63          1HB       ALA  63  -4.694  -3.472  -5.600
  492   2HB   ALA  63          3HB       ALA  63  -4.342  -4.873  -4.623
  493   3HB   ALA  63          2HB       ALA  63  -3.725  -3.276  -4.131
  494    H    GLY  64           H        GLY  64  -3.319  -6.424  -6.466
  495   1HA   GLY  64          2HA       GLY  64  -2.037  -7.948  -4.473
  496   2HA   GLY  64          1HA       GLY  64  -2.751  -8.631  -5.953
  497    H    ALA  65           H        ALA  65  -1.263  -6.967  -7.768
  498    HA   ALA  65           HA       ALA  65   0.993  -8.615  -8.262
  499   1HB   ALA  65          2HB       ALA  65   0.445  -5.813  -9.352
  500   2HB   ALA  65          1HB       ALA  65   1.634  -6.952  -9.952
  501   3HB   ALA  65          3HB       ALA  65  -0.070  -7.348 -10.115
  502    H    ALA  66           H        ALA  66   0.784  -5.191  -7.281
  503    HA   ALA  66           HA       ALA  66   3.475  -4.604  -6.618
  504   1HB   ALA  66          2HB       ALA  66   0.774  -3.645  -5.801
  505   2HB   ALA  66          1HB       ALA  66   2.112  -3.167  -4.810
  506   3HB   ALA  66          3HB       ALA  66   2.088  -2.715  -6.527
  507    H    ARG  67           H        ARG  67   0.844  -5.625  -4.529
  508    HA   ARG  67           HA       ARG  67   2.171  -5.799  -2.096
  509   1HB   ARG  67          2HB       ARG  67  -0.384  -5.937  -2.507
  510   2HB   ARG  67          1HB       ARG  67  -0.117  -7.627  -2.889
  511   1HG   ARG  67          2HG       ARG  67   0.907  -6.269  -0.393
  512   2HG   ARG  67          1HG       ARG  67  -0.732  -6.876  -0.427
  513   1HD   ARG  67          2HD       ARG  67   1.107  -8.957  -1.343
  514   2HD   ARG  67          1HD       ARG  67   1.543  -8.332   0.270
  515    HE   ARG  67           HE       ARG  67  -1.246  -9.227  -0.294
  516   1HH1  ARG  67          1HH1      ARG  67  -0.450  -8.185   2.469
  517   2HH1  ARG  67          2HH1      ARG  67  -0.127  -9.653   3.286
  518   1HH2  ARG  67          2HH2      ARG  67   0.090 -11.576   0.401
  519   2HH2  ARG  67          1HH2      ARG  67   0.177 -11.567   2.134
  520    H    ASP  68           H        ASP  68   1.398  -8.419  -4.395
  521    HA   ASP  68           HA       ASP  68   2.926 -10.418  -2.943
  522   1HB   ASP  68          2HB       ASP  68   1.075 -10.754  -4.803
  523   2HB   ASP  68          1HB       ASP  68   2.426 -10.526  -5.930
  524    H    ALA  69           H        ALA  69   3.882  -8.215  -5.501
  525    HA   ALA  69           HA       ALA  69   6.426  -9.522  -5.968
  526   1HB   ALA  69          3HB       ALA  69   5.156  -7.731  -7.424
  527   2HB   ALA  69          2HB       ALA  69   6.000  -6.596  -6.398
  528   3HB   ALA  69          1HB       ALA  69   6.924  -7.698  -7.413
  529    H    LEU  70           H        LEU  70   5.501  -6.704  -3.929
  530    HA   LEU  70           HA       LEU  70   8.329  -6.659  -2.876
  531   1HB   LEU  70          2HB       LEU  70   7.737  -4.607  -1.755
  532   2HB   LEU  70          1HB       LEU  70   7.181  -4.487  -3.435
  533    HG   LEU  70           HG       LEU  70   5.041  -5.710  -2.151
  534   1HD1  LEU  70          1HD1      LEU  70   6.490  -4.794  -0.071
  535   2HD1  LEU  70          3HD1      LEU  70   5.477  -3.422  -0.382
  536   3HD1  LEU  70          2HD1      LEU  70   4.715  -5.000  -0.040
  537   1HD2  LEU  70          3HD2      LEU  70   5.277  -3.619  -3.748
  538   2HD2  LEU  70          2HD2      LEU  70   3.851  -3.701  -2.700
  539   3HD2  LEU  70          1HD2      LEU  70   5.179  -2.687  -2.231
  540    H    GLN  71           H        GLN  71   5.747  -8.544  -2.360
  541    HA   GLN  71           HA       GLN  71   5.202  -8.312   0.370
  542   1HB   GLN  71          2HB       GLN  71   4.439 -10.017  -1.709
  543   2HB   GLN  71          1HB       GLN  71   5.224 -11.112  -0.561
  544   1HG   GLN  71          2HG       GLN  71   3.587  -9.445   1.000
  545   2HG   GLN  71          1HG       GLN  71   2.696  -9.840  -0.451
  546   1HE2  GLN  71          2HE2      GLN  71   2.315 -13.241   0.284
  547   2HE2  GLN  71          1HE2      GLN  71   2.126 -12.025  -0.883
  548    H    GLY  72           H        GLY  72   7.246  -7.939   1.567
  549   1HA   GLY  72          2HA       GLY  72   8.547  -9.436   3.084
  550   2HA   GLY  72          1HA       GLY  72   9.036 -10.333   1.668
  551    H    PHE  73           H        PHE  73   8.721  -6.848   2.051
  552    HA   PHE  73           HA       PHE  73  11.338  -6.608   0.769
  553   1HB   PHE  73          2HB       PHE  73   9.325  -4.893   0.477
  554   2HB   PHE  73          1HB       PHE  73   9.999  -4.134   1.954
  555    HD1  PHE  73           HD1      PHE  73  12.850  -4.434   1.664
  556    HD2  PHE  73           HD2      PHE  73   9.913  -3.540  -1.329
  557    HE1  PHE  73           HE1      PHE  73  14.558  -3.321   0.376
  558    HE2  PHE  73           HE2      PHE  73  11.680  -2.379  -2.674
  559    HZ   PHE  73           HZ       PHE  73  14.001  -2.264  -1.845
  560    H    LYS  74           H        LYS  74  12.138  -7.948   2.333
  561    HA   LYS  74           HA       LYS  74  12.722  -7.510   5.054
  562   1HB   LYS  74          2HB       LYS  74  15.020  -8.618   4.212
  563   2HB   LYS  74          1HB       LYS  74  13.561  -9.547   4.361
  564   1HG   LYS  74          2HG       LYS  74  14.792  -9.865   2.214
  565   2HG   LYS  74          1HG       LYS  74  13.110  -9.540   2.004
  566   1HD   LYS  74          2HD       LYS  74  14.194  -6.978   1.830
  567   2HD   LYS  74          1HD       LYS  74  15.535  -7.969   1.227
  568   1HE   LYS  74          2HE       LYS  74  13.916  -9.100  -0.263
  569   2HE   LYS  74          1HE       LYS  74  12.687  -7.911   0.258
  570   1HZ   LYS  74          1HZ       LYS  74  15.227  -6.895  -0.742
  571   2HZ   LYS  74          3HZ       LYS  74  14.105  -7.572  -1.846
  572   3HZ   LYS  74          2HZ       LYS  74  13.633  -6.295  -0.840
  573    H    ILE  75           H        ILE  75  12.827  -5.209   5.141
  574    HA   ILE  75           HA       ILE  75  14.843  -3.636   3.974
  575    HB   ILE  75           HB       ILE  75  13.462  -3.644   6.654
  576   1HG1  ILE  75          2HG1      ILE  75  13.098  -1.354   4.794
  577   2HG1  ILE  75          1HG1      ILE  75  12.703  -2.924   4.081
  578   1HG2  ILE  75          2HG2      ILE  75  15.608  -1.828   5.656
  579   2HG2  ILE  75          1HG2      ILE  75  14.192  -1.073   6.459
  580   3HG2  ILE  75          3HG2      ILE  75  15.204  -2.205   7.349
  581   1HD1  ILE  75          2HD1      ILE  75  11.600  -1.940   6.734
  582   2HD1  ILE  75          1HD1      ILE  75  10.759  -1.970   5.184
  583   3HD1  ILE  75          3HD1      ILE  75  11.248  -3.479   5.939
  584    H    THR  76           H        THR  76  14.890  -6.009   6.478
  585    HA   THR  76           HA       THR  76  17.836  -5.601   6.752
  586    HB   THR  76           HB       THR  76  16.135  -6.438   9.117
  587    HG1  THR  76          1HG       THR  76  17.254  -3.854   8.843
  588   1HG2  THR  76          1HG2      THR  76  18.963  -5.863   8.421
  589   2HG2  THR  76          3HG2      THR  76  18.442  -5.295  10.033
  590   3HG2  THR  76          2HG2      THR  76  18.350  -6.990   9.661
  591    H    GLN  77           H        GLN  77  15.220  -7.834   6.933
  592    HA   GLN  77           HA       GLN  77  15.584  -9.964   5.735
  593   1HB   GLN  77          2HB       GLN  77  18.041 -10.171   6.025
  594   2HB   GLN  77          1HB       GLN  77  17.841 -10.131   7.797
  595   1HG   GLN  77          2HG       GLN  77  16.806 -12.175   7.860
  596   2HG   GLN  77          1HG       GLN  77  16.449 -12.155   6.101
  597   1HE2  GLN  77          2HE2      GLN  77  20.491 -12.538   6.808
  598   2HE2  GLN  77          1HE2      GLN  77  19.617 -11.298   7.551
  599    H    ASN  78           H        ASN  78  15.775  -9.005   9.046
  600    HA   ASN  78           HA       ASN  78  13.836 -11.019   9.888
  601   1HB   ASN  78          2HB       ASN  78  15.487  -9.060  11.539
  602   2HB   ASN  78          1HB       ASN  78  14.275 -10.119  12.226
  603   1HD2  ASN  78          1HD2      ASN  78  16.238 -13.065  11.926
  604   2HD2  ASN  78          2HD2      ASN  78  14.673 -12.459  12.186
  605    H    ASN  79           H        ASN  79  14.449  -7.640   9.423
  606    HA   ASN  79           HA       ASN  79  11.699  -6.731  10.057
  607   1HB   ASN  79          2HB       ASN  79  14.080  -5.064   9.250
  608   2HB   ASN  79          1HB       ASN  79  12.572  -4.479   9.919
  609   1HD2  ASN  79          2HD2      ASN  79  13.327  -6.127  13.172
  610   2HD2  ASN  79          1HD2      ASN  79  12.064  -6.146  12.074
  611    H    ALA  80           H        ALA  80  10.424  -7.257   8.296
  612    HA   ALA  80           HA       ALA  80  11.257  -6.407   5.571
  613   1HB   ALA  80          3HB       ALA  80  11.063  -8.982   6.126
  614   2HB   ALA  80          2HB       ALA  80   9.314  -8.653   6.190
  615   3HB   ALA  80          1HB       ALA  80  10.216  -8.360   4.697
  616    H    MET  81           H        MET  81   9.981  -5.002   4.722
  617    HA   MET  81           HA       MET  81   8.064  -3.504   6.100
  618   1HB   MET  81          2HB       MET  81   8.370  -2.484   4.040
  619   2HB   MET  81          1HB       MET  81   8.658  -4.055   3.297
  620   1HG   MET  81          2HG       MET  81   6.420  -4.523   2.876
  621   2HG   MET  81          1HG       MET  81   5.862  -3.311   4.029
  622   1HE   MET  81          2HE       MET  81   7.769  -4.043   1.113
  623   2HE   MET  81          1HE       MET  81   7.728  -2.719  -0.033
  624   3HE   MET  81          3HE       MET  81   8.788  -2.611   1.396
  625    H    LYS  82           H        LYS  82   5.773  -3.605   6.574
  626    HA   LYS  82           HA       LYS  82   4.443  -6.113   5.736
  627   1HB   LYS  82          2HB       LYS  82   4.332  -4.852   8.489
  628   2HB   LYS  82          1HB       LYS  82   3.218  -6.071   7.850
  629   1HG   LYS  82          2HG       LYS  82   5.427  -7.398   7.327
  630   2HG   LYS  82          1HG       LYS  82   6.134  -6.224   8.473
  631   1HD   LYS  82          2HD       LYS  82   5.560  -7.827   9.942
  632   2HD   LYS  82          1HD       LYS  82   3.979  -7.040   9.879
  633   1HE   LYS  82          2HE       LYS  82   3.048  -8.986   9.178
  634   2HE   LYS  82          1HE       LYS  82   4.019  -8.814   7.709
  635   1HZ   LYS  82          1HZ       LYS  82   4.986 -10.009  10.275
  636   2HZ   LYS  82          3HZ       LYS  82   4.313 -10.945   9.041
  637   3HZ   LYS  82          2HZ       LYS  82   5.768 -10.065   8.799
  638    H    ILE  83           H        ILE  83   2.909  -5.706   4.510
  639    HA   ILE  83           HA       ILE  83   1.296  -3.222   4.330
  640    HB   ILE  83           HB       ILE  83   2.775  -4.779   2.253
  641   1HG1  ILE  83          2HG1      ILE  83   1.910  -1.882   2.351
  642   2HG1  ILE  83          1HG1      ILE  83   3.343  -2.391   3.198
  643   1HG2  ILE  83          3HG2      ILE  83   0.151  -3.355   1.930
  644   2HG2  ILE  83          2HG2      ILE  83   1.161  -3.718   0.563
  645   3HG2  ILE  83          1HG2      ILE  83   0.476  -5.059   1.489
  646   1HD1  ILE  83          2HD1      ILE  83   4.166  -3.438   1.100
  647   2HD1  ILE  83          1HD1      ILE  83   2.789  -2.779   0.201
  648   3HD1  ILE  83          3HD1      ILE  83   4.030  -1.720   0.893
  649    H    SER  84           H        SER  84  -0.749  -3.930   4.943
  650    HA   SER  84           HA       SER  84  -1.546  -6.683   4.263
  651   1HB   SER  84          2HB       SER  84  -1.346  -6.773   6.552
  652   2HB   SER  84          1HB       SER  84  -2.056  -5.165   6.838
  653    HG   SER  84           HG       SER  84  -3.232  -7.604   5.977
  654    H    PHE  85           H        PHE  85  -3.002  -6.346   2.640
  655    HA   PHE  85           HA       PHE  85  -4.401  -4.575   1.497
  656   1HB   PHE  85          2HB       PHE  85  -6.512  -6.265   1.962
  657   2HB   PHE  85          1HB       PHE  85  -5.275  -6.333   0.754
  658    HD1  PHE  85           HD1      PHE  85  -5.989  -7.770   4.194
  659    HD2  PHE  85           HD2      PHE  85  -3.631  -7.884   0.611
  660    HE1  PHE  85           HE1      PHE  85  -4.978  -9.916   4.892
  661    HE2  PHE  85           HE2      PHE  85  -2.628  -9.974   1.261
  662    HZ   PHE  85           HZ       PHE  85  -3.332 -11.030   3.476
  663    H    ALA  86           H        ALA  86  -6.672  -5.859   3.818
  664    HA   ALA  86           HA       ALA  86  -6.850  -3.759   5.686
  665   1HB   ALA  86          1HB       ALA  86  -7.732  -3.130   2.984
  666   2HB   ALA  86          3HB       ALA  86  -9.099  -2.922   4.093
  667   3HB   ALA  86          2HB       ALA  86  -7.553  -2.068   4.339
  668    H    LYS  87           H        LYS  87  -8.516  -6.285   3.730
  669    HA   LYS  87           HA       LYS  87 -10.448  -6.601   5.974
  670   1HB   LYS  87          2HB       LYS  87 -10.876  -6.173   3.095
  671   2HB   LYS  87          1HB       LYS  87 -11.538  -7.709   3.683
  672   1HG   LYS  87          2HG       LYS  87 -13.122  -5.684   3.799
  673   2HG   LYS  87          1HG       LYS  87 -12.968  -6.810   5.114
  674   1HD   LYS  87          2HD       LYS  87 -11.617  -5.150   6.399
  675   2HD   LYS  87          1HD       LYS  87 -11.377  -4.197   4.927
  676   1HE   LYS  87          2HE       LYS  87 -14.201  -4.549   5.366
  677   2HE   LYS  87          1HE       LYS  87 -13.443  -4.135   6.876
  678   1HZ   LYS  87          1HZ       LYS  87 -12.815  -2.683   4.359
  679   2HZ   LYS  87          3HZ       LYS  87 -14.165  -2.240   5.274
  680   3HZ   LYS  87          2HZ       LYS  87 -12.594  -2.138   5.951
  681    H    LYS  88           H        LYS  88  -9.849  -8.660   3.116
  682    HA   LYS  88           HA       LYS  88  -9.891 -11.011   4.780
  683   1HB   LYS  88          2HB       LYS  88  -8.911 -10.779   1.913
  684   2HB   LYS  88          1HB       LYS  88  -9.410 -12.232   2.797
  685   1HG   LYS  88          2HG       LYS  88 -11.360 -10.025   2.769
  686   2HG   LYS  88          1HG       LYS  88 -11.097 -10.742   1.170
  687   1HD   LYS  88          2HD       LYS  88 -11.319 -13.001   2.541
  688   2HD   LYS  88          1HD       LYS  88 -12.220 -12.007   3.654
  689   1HE   LYS  88          2HE       LYS  88 -13.764 -12.957   2.017
  690   2HE   LYS  88          1HE       LYS  88 -13.587 -11.225   1.669
  691   1HZ   LYS  88          1HZ       LYS  88 -11.575 -12.504   0.277
  692   2HZ   LYS  88          3HZ       LYS  88 -12.926 -13.526   0.126
  693   3HZ   LYS  88          2HZ       LYS  88 -13.063 -11.924  -0.358
   
  No H/Q in entry =         693
  Start of MODEL    3
    1   1H    MET   1          2H        MET   1 -22.481   7.664   8.703
    2   2H    MET   1          1H        MET   1 -23.375   6.582   9.658
    3   3H    MET   1          3H        MET   1 -23.647   8.276   9.800
    4    HA   MET   1           HA       MET   1 -21.611   8.675  10.768
    5   1HB   MET   1          2HB       MET   1 -23.422   7.313  12.119
    6   2HB   MET   1          1HB       MET   1 -22.203   6.026  12.088
    7   1HG   MET   1          2HG       MET   1 -20.628   7.486  13.196
    8   2HG   MET   1          1HG       MET   1 -21.778   8.841  13.076
    9   1HE   MET   1          1HE       MET   1 -22.649   9.650  14.644
   10   2HE   MET   1          3HE       MET   1 -24.051   8.935  15.414
   11   3HE   MET   1          2HE       MET   1 -22.551   9.067  16.320
   12    H    ALA   2           H        ALA   2 -21.580   5.093  10.498
   13    HA   ALA   2           HA       ALA   2 -18.973   5.276   9.061
   14   1HB   ALA   2          1HB       ALA   2 -19.592   3.652  11.557
   15   2HB   ALA   2          3HB       ALA   2 -18.117   3.505  10.597
   16   3HB   ALA   2          2HB       ALA   2 -18.468   4.973  11.509
   17    HA   PRO   3           HA       PRO   3 -21.523   2.061   7.233
   18   1HB   PRO   3          2HB       PRO   3 -21.286   2.846   4.594
   19   2HB   PRO   3          1HB       PRO   3 -22.390   3.613   5.710
   20   1HG   PRO   3          2HG       PRO   3 -19.829   4.668   4.667
   21   2HG   PRO   3          1HG       PRO   3 -21.264   5.531   5.278
   22   1HD   PRO   3          2HD       PRO   3 -18.805   4.985   6.726
   23   2HD   PRO   3          1HD       PRO   3 -20.275   5.812   7.294
   24    H    ALA   4           H        ALA   4 -19.955   0.319   7.616
   25    HA   ALA   4           HA       ALA   4 -17.426   0.317   6.109
   26   1HB   ALA   4          2HB       ALA   4 -17.564  -0.064   8.587
   27   2HB   ALA   4          1HB       ALA   4 -18.294  -1.622   8.285
   28   3HB   ALA   4          3HB       ALA   4 -16.648  -1.293   7.713
   29    H    GLN   5           H        GLN   5 -20.339  -1.748   6.623
   30    HA   GLN   5           HA       GLN   5 -19.577  -3.187   4.102
   31   1HB   GLN   5          2HB       GLN   5 -20.630  -5.213   5.632
   32   2HB   GLN   5          1HB       GLN   5 -18.903  -4.840   5.381
   33   1HG   GLN   5          2HG       GLN   5 -18.852  -3.526   7.391
   34   2HG   GLN   5          1HG       GLN   5 -20.603  -3.641   7.582
   35   1HE2  GLN   5          1HE2      GLN   5 -18.579  -6.351   9.552
   36   2HE2  GLN   5          2HE2      GLN   5 -18.164  -4.724   9.264
   37    HA   PRO   6           HA       PRO   6 -24.292  -2.600   4.522
   38   1HB   PRO   6          2HB       PRO   6 -24.889  -0.146   3.695
   39   2HB   PRO   6          1HB       PRO   6 -24.607  -0.438   5.442
   40   1HG   PRO   6          2HG       PRO   6 -22.747   0.774   3.394
   41   2HG   PRO   6          1HG       PRO   6 -22.930   1.205   5.087
   42   1HD   PRO   6          2HD       PRO   6 -20.875  -0.335   4.179
   43   2HD   PRO   6          1HD       PRO   6 -21.543  -0.471   5.811
   44    H    LEU   7           H        LEU   7 -23.800  -4.012   2.653
   45    HA   LEU   7           HA       LEU   7 -23.837  -4.455   0.336
   46   1HB   LEU   7          2HB       LEU   7 -24.709  -1.590  -0.080
   47   2HB   LEU   7          1HB       LEU   7 -25.109  -2.974  -1.052
   48    HG   LEU   7           HG       LEU   7 -25.959  -2.625   1.881
   49   1HD1  LEU   7          3HD1      LEU   7 -26.773  -1.055  -0.125
   50   2HD1  LEU   7          2HD1      LEU   7 -27.931  -2.373  -0.355
   51   3HD1  LEU   7          1HD1      LEU   7 -27.809  -1.541   1.213
   52   1HD2  LEU   7          3HD2      LEU   7 -26.526  -4.619  -0.282
   53   2HD2  LEU   7          2HD2      LEU   7 -26.051  -4.873   1.408
   54   3HD2  LEU   7          1HD2      LEU   7 -27.687  -4.363   1.040
   55    H    SER   8           H        SER   8 -23.184  -2.202  -1.621
   56    HA   SER   8           HA       SER   8 -21.309  -1.122  -2.584
   57   1HB   SER   8          2HB       SER   8 -20.091   0.086  -1.257
   58   2HB   SER   8          1HB       SER   8 -21.064  -0.463   0.069
   59    HG   SER   8           HG       SER   8 -18.534  -1.417  -0.840
   60    H    GLU   9           H        GLU   9 -19.241  -1.686  -3.426
   61    HA   GLU   9           HA       GLU   9 -18.107  -4.330  -2.661
   62   1HB   GLU   9          2HB       GLU   9 -18.311  -5.126  -5.050
   63   2HB   GLU   9          1HB       GLU   9 -19.829  -5.033  -4.117
   64   1HG   GLU   9          2HG       GLU   9 -19.291  -2.538  -5.543
   65   2HG   GLU   9          1HG       GLU   9 -19.396  -3.928  -6.620
   66    H    ASN  10           H        ASN  10 -16.426  -2.730  -2.122
   67    HA   ASN  10           HA       ASN  10 -15.011  -1.723  -4.557
   68   1HB   ASN  10          2HB       ASN  10 -15.714  -0.070  -2.776
   69   2HB   ASN  10          1HB       ASN  10 -14.585  -0.830  -1.669
   70   1HD2  ASN  10          1HD2      ASN  10 -12.034   1.223  -2.749
   71   2HD2  ASN  10          2HD2      ASN  10 -12.865   0.432  -1.472
   72    HA   PRO  11           HA       PRO  11 -12.322  -4.765  -1.753
   73   1HB   PRO  11          2HB       PRO  11 -13.086  -6.799  -3.819
   74   2HB   PRO  11          1HB       PRO  11 -12.449  -6.940  -2.141
   75   1HG   PRO  11          2HG       PRO  11 -15.181  -7.095  -2.727
   76   2HG   PRO  11          1HG       PRO  11 -14.646  -6.369  -1.201
   77   1HD   PRO  11          2HD       PRO  11 -15.504  -5.090  -3.785
   78   2HD   PRO  11          1HD       PRO  11 -15.744  -4.570  -2.108
   79    HA   PRO  12           HA       PRO  12 -10.034  -5.320  -5.966
   80   1HB   PRO  12          2HB       PRO  12 -11.116  -3.979  -8.091
   81   2HB   PRO  12          1HB       PRO  12 -11.501  -5.706  -7.757
   82   1HG   PRO  12          2HG       PRO  12 -13.218  -3.294  -7.130
   83   2HG   PRO  12          1HG       PRO  12 -13.699  -4.877  -7.753
   84   1HD   PRO  12          2HD       PRO  12 -14.016  -4.392  -5.223
   85   2HD   PRO  12          1HD       PRO  12 -13.444  -6.009  -5.777
   86    H    ASN  13           H        ASN  13  -9.108  -3.935  -4.361
   87    HA   ASN  13           HA       ASN  13  -9.726  -1.122  -4.369
   88   1HB   ASN  13          2HB       ASN  13  -9.342  -2.692  -2.384
   89   2HB   ASN  13          1HB       ASN  13  -7.627  -2.362  -2.707
   90   1HD2  ASN  13          2HD2      ASN  13  -9.831   0.426  -0.832
   91   2HD2  ASN  13          1HD2      ASN  13 -10.407  -1.136  -0.989
   92    H    HIS  14           H        HIS  14  -8.312   0.519  -4.902
   93    HA   HIS  14           HA       HIS  14  -5.758  -0.088  -6.329
   94   1HB   HIS  14          2HB       HIS  14  -6.381   2.365  -7.263
   95   2HB   HIS  14          1HB       HIS  14  -6.974   0.917  -8.012
   96    HD1  HIS  14           HD1      HIS  14  -9.652   0.430  -7.381
   97    HD2  HIS  14           HD2      HIS  14  -8.054   4.004  -5.954
   98    HE1  HIS  14           HE1      HIS  14 -11.595   1.887  -6.644
   99    HE2  HIS  14           HE2      HIS  14 -10.676   4.091  -5.771
  100    H    ILE  15           H        ILE  15  -6.302   0.635  -3.386
  101    HA   ILE  15           HA       ILE  15  -4.341   2.808  -3.116
  102    HB   ILE  15           HB       ILE  15  -7.137   3.277  -2.442
  103   1HG1  ILE  15          2HG1      ILE  15  -5.349   4.764  -3.523
  104   2HG1  ILE  15          1HG1      ILE  15  -6.322   5.486  -2.212
  105   1HG2  ILE  15          3HG2      ILE  15  -5.078   3.332  -0.226
  106   2HG2  ILE  15          2HG2      ILE  15  -6.601   4.254  -0.207
  107   3HG2  ILE  15          1HG2      ILE  15  -6.585   2.479  -0.153
  108   1HD1  ILE  15          2HD1      ILE  15  -3.787   4.204  -1.489
  109   2HD1  ILE  15          1HD1      ILE  15  -3.743   5.851  -2.137
  110   3HD1  ILE  15          3HD1      ILE  15  -4.630   5.467  -0.649
  111    H    LEU  16           H        LEU  16  -2.841   1.973  -1.746
  112    HA   LEU  16           HA       LEU  16  -3.676  -0.064   0.243
  113   1HB   LEU  16          2HB       LEU  16  -1.363   0.026  -1.724
  114   2HB   LEU  16          1HB       LEU  16  -1.233  -0.882  -0.217
  115    HG   LEU  16           HG       LEU  16  -3.764  -1.302  -1.630
  116   1HD1  LEU  16          1HD1      LEU  16  -2.130  -0.797  -3.541
  117   2HD1  LEU  16          3HD1      LEU  16  -1.151  -2.126  -2.957
  118   3HD1  LEU  16          2HD1      LEU  16  -2.743  -2.458  -3.622
  119   1HD2  LEU  16          1HD2      LEU  16  -2.726  -2.729   0.193
  120   2HD2  LEU  16          3HD2      LEU  16  -3.354  -3.613  -1.180
  121   3HD2  LEU  16          2HD2      LEU  16  -1.628  -3.309  -1.064
  122    H    PHE  17           H        PHE  17  -3.607   0.792   2.095
  123    HA   PHE  17           HA       PHE  17  -1.544   2.689   2.940
  124   1HB   PHE  17          2HB       PHE  17  -3.516   4.013   3.025
  125   2HB   PHE  17          1HB       PHE  17  -4.472   2.598   3.519
  126    HD1  PHE  17           HD2      PHE  17  -1.324   4.233   4.751
  127    HD2  PHE  17           HD1      PHE  17  -5.116   2.515   5.739
  128    HE1  PHE  17           HE2      PHE  17  -0.911   4.601   7.148
  129    HE2  PHE  17           HE1      PHE  17  -4.728   2.856   8.109
  130    HZ   PHE  17           HZ       PHE  17  -2.596   3.923   8.880
  131    H    LEU  18           H        LEU  18  -0.479   2.075   4.613
  132    HA   LEU  18           HA       LEU  18  -1.211   0.888   6.863
  133   1HB   LEU  18          2HB       LEU  18  -2.065  -1.057   5.548
  134   2HB   LEU  18          1HB       LEU  18  -0.458  -1.638   5.490
  135    HG   LEU  18           HG       LEU  18  -0.796  -1.032   8.185
  136   1HD1  LEU  18          3HD1      LEU  18  -3.215  -0.359   7.007
  137   2HD1  LEU  18          2HD1      LEU  18  -3.509  -1.843   7.892
  138   3HD1  LEU  18          1HD1      LEU  18  -2.776  -0.433   8.684
  139   1HD2  LEU  18          2HD2      LEU  18  -0.925  -3.437   6.649
  140   2HD2  LEU  18          1HD2      LEU  18  -1.070  -3.348   8.435
  141   3HD2  LEU  18          3HD2      LEU  18  -2.481  -3.365   7.425
  142    H    THR  19           H        THR  19   0.886  -0.740   7.385
  143    HA   THR  19           HA       THR  19   3.208   1.022   6.977
  144    HB   THR  19           HB       THR  19   2.287   2.237   8.797
  145    HG1  THR  19          1HG       THR  19   3.128   1.048  10.784
  146   1HG2  THR  19          3HG2      THR  19   0.260   0.818   9.099
  147   2HG2  THR  19          2HG2      THR  19   1.271  -0.298  10.073
  148   3HG2  THR  19          1HG2      THR  19   1.012   1.351  10.586
  149    H    ASN  20           H        ASN  20   4.821   0.096   8.540
  150    HA   ASN  20           HA       ASN  20   5.569  -1.572   9.915
  151   1HB   ASN  20          2HB       ASN  20   3.597  -3.156   9.538
  152   2HB   ASN  20          1HB       ASN  20   4.529  -3.807   8.150
  153   1HD2  ASN  20          2HD2      ASN  20   6.963  -5.329  10.208
  154   2HD2  ASN  20          1HD2      ASN  20   6.603  -4.841   8.644
  155    H    LEU  21           H        LEU  21   6.504   0.009   7.644
  156    HA   LEU  21           HA       LEU  21   8.340  -1.715   6.129
  157   1HB   LEU  21          2HB       LEU  21   8.236   1.291   6.495
  158   2HB   LEU  21          1HB       LEU  21   9.211   0.451   5.314
  159    HG   LEU  21           HG       LEU  21   7.576   0.269   3.807
  160   1HD1  LEU  21          2HD1      LEU  21   6.408  -1.522   5.119
  161   2HD1  LEU  21          1HD1      LEU  21   5.514  -0.200   5.937
  162   3HD1  LEU  21          3HD1      LEU  21   5.301  -0.430   4.231
  163   1HD2  LEU  21          2HD2      LEU  21   7.016   2.461   5.563
  164   2HD2  LEU  21          1HD2      LEU  21   6.565   2.346   3.863
  165   3HD2  LEU  21          3HD2      LEU  21   5.471   1.770   5.144
  166    HA   PRO  22           HA       PRO  22  11.681  -1.672   8.881
  167   1HB   PRO  22          2HB       PRO  22  13.713  -0.643   7.084
  168   2HB   PRO  22          1HB       PRO  22  13.484  -2.277   7.687
  169   1HG   PRO  22          2HG       PRO  22  12.852  -1.370   5.033
  170   2HG   PRO  22          1HG       PRO  22  12.535  -2.970   5.698
  171   1HD   PRO  22          2HD       PRO  22  10.655  -0.815   5.139
  172   2HD   PRO  22          1HD       PRO  22  10.305  -2.460   5.656
  173    H    GLU  23           H        GLU  23  13.918   0.029   9.203
  174    HA   GLU  23           HA       GLU  23  12.665   2.665   9.769
  175   1HB   GLU  23          2HB       GLU  23  13.752   2.424  11.709
  176   2HB   GLU  23          1HB       GLU  23  14.453   0.938  11.101
  177   1HG   GLU  23          2HG       GLU  23  16.242   2.334   9.971
  178   2HG   GLU  23          1HG       GLU  23  15.546   3.749  10.795
  179    H    GLU  24           H        GLU  24  15.313   1.238   7.912
  180    HA   GLU  24           HA       GLU  24  16.290   3.929   7.287
  181   1HB   GLU  24          2HB       GLU  24  17.989   2.958   6.019
  182   2HB   GLU  24          1HB       GLU  24  17.796   1.914   7.449
  183   1HG   GLU  24          2HG       GLU  24  16.297   0.461   5.894
  184   2HG   GLU  24          1HG       GLU  24  16.995   1.440   4.575
  185    H    THR  25           H        THR  25  13.653   2.456   6.296
  186    HA   THR  25           HA       THR  25  13.729   2.540   3.417
  187    HB   THR  25           HB       THR  25  11.123   2.885   3.720
  188    HG1  THR  25          1HG       THR  25  11.146   1.723   6.078
  189   1HG2  THR  25          3HG2      THR  25  12.798   0.750   3.467
  190   2HG2  THR  25          2HG2      THR  25  12.120   0.443   5.034
  191   3HG2  THR  25          1HG2      THR  25  11.027   0.624   3.631
  192    H    ASN  26           H        ASN  26  12.539   4.229   2.069
  193    HA   ASN  26           HA       ASN  26  12.151   6.846   3.346
  194   1HB   ASN  26          2HB       ASN  26  13.730   8.099   2.162
  195   2HB   ASN  26          1HB       ASN  26  14.572   6.684   2.833
  196   1HD2  ASN  26          2HD2      ASN  26  15.679   5.666  -0.329
  197   2HD2  ASN  26          1HD2      ASN  26  15.788   5.549   1.358
  198    H    GLU  27           H        GLU  27  11.423   8.467   1.683
  199    HA   GLU  27           HA       GLU  27   9.056   7.628   0.296
  200   1HB   GLU  27          2HB       GLU  27   9.006   9.859   1.019
  201   2HB   GLU  27          1HB       GLU  27  10.547  10.192   0.164
  202   1HG   GLU  27          2HG       GLU  27   8.335   9.216  -1.506
  203   2HG   GLU  27          1HG       GLU  27   8.154  10.826  -0.755
  204    H    LEU  28           H        LEU  28  12.411   8.481  -0.993
  205    HA   LEU  28           HA       LEU  28  11.607   8.392  -3.753
  206   1HB   LEU  28          2HB       LEU  28  13.438   9.626  -3.645
  207   2HB   LEU  28          1HB       LEU  28  14.059   8.796  -2.207
  208    HG   LEU  28           HG       LEU  28  14.746   6.870  -3.682
  209   1HD1  LEU  28          1HD1      LEU  28  13.117   8.241  -5.613
  210   2HD1  LEU  28          3HD1      LEU  28  14.814   8.197  -6.193
  211   3HD1  LEU  28          2HD1      LEU  28  13.969   6.726  -5.795
  212   1HD2  LEU  28          3HD2      LEU  28  16.066   9.036  -3.087
  213   2HD2  LEU  28          2HD2      LEU  28  16.723   7.941  -4.307
  214   3HD2  LEU  28          1HD2      LEU  28  15.835   9.429  -4.772
  215    H    MET  29           H        MET  29  12.527   6.197  -1.258
  216    HA   MET  29           HA       MET  29  13.443   4.008  -2.851
  217   1HB   MET  29          2HB       MET  29  13.726   4.585  -0.361
  218   2HB   MET  29          1HB       MET  29  12.164   3.891  -0.068
  219   1HG   MET  29          2HG       MET  29  14.212   2.318  -1.625
  220   2HG   MET  29          1HG       MET  29  14.349   2.355   0.150
  221   1HE   MET  29          2HE       MET  29  14.539   0.018  -0.767
  222   2HE   MET  29          1HE       MET  29  13.252  -1.107  -0.439
  223   3HE   MET  29          3HE       MET  29  13.413  -0.400  -2.070
  224    H    LEU  30           H        LEU  30  10.553   4.583  -0.932
  225    HA   LEU  30           HA       LEU  30   8.939   2.480  -1.951
  226   1HB   LEU  30          2HB       LEU  30   8.680   4.824  -0.215
  227   2HB   LEU  30          1HB       LEU  30   7.150   4.411  -1.016
  228    HG   LEU  30           HG       LEU  30   7.563   2.023  -0.369
  229   1HD1  LEU  30          3HD1      LEU  30   9.695   3.361   1.344
  230   2HD1  LEU  30          2HD1      LEU  30   8.905   1.881   1.839
  231   3HD1  LEU  30          1HD1      LEU  30   9.795   1.944   0.291
  232   1HD2  LEU  30          2HD2      LEU  30   7.066   4.118   1.779
  233   2HD2  LEU  30          1HD2      LEU  30   5.851   3.418   0.739
  234   3HD2  LEU  30          3HD2      LEU  30   6.651   2.421   1.969
  235    H    SER  31           H        SER  31   9.694   5.694  -2.911
  236    HA   SER  31           HA       SER  31   7.629   6.472  -4.634
  237   1HB   SER  31          2HB       SER  31   9.144   8.212  -4.203
  238   2HB   SER  31          1HB       SER  31  10.510   7.106  -4.547
  239    HG   SER  31           HG       SER  31   8.630   7.619  -6.511
  240    H    MET  32           H        MET  32  10.868   5.126  -5.344
  241    HA   MET  32           HA       MET  32  10.204   4.586  -8.099
  242   1HB   MET  32          2HB       MET  32  12.440   3.641  -8.274
  243   2HB   MET  32          1HB       MET  32  12.467   5.058  -7.250
  244   1HG   MET  32          2HG       MET  32  13.022   3.939  -5.409
  245   2HG   MET  32          1HG       MET  32  12.098   2.464  -5.801
  246   1HE   MET  32          2HE       MET  32  13.925   1.696  -4.445
  247   2HE   MET  32          1HE       MET  32  15.414   1.054  -5.144
  248   3HE   MET  32          3HE       MET  32  15.305   2.748  -4.552
  249    H    LEU  33           H        LEU  33   9.988   2.655  -5.130
  250    HA   LEU  33           HA       LEU  33   9.838   0.051  -6.356
  251   1HB   LEU  33          2HB       LEU  33   9.498   1.297  -3.696
  252   2HB   LEU  33          1HB       LEU  33   8.295   0.077  -3.971
  253    HG   LEU  33           HG       LEU  33  11.303  -0.257  -4.167
  254   1HD1  LEU  33          2HD1      LEU  33   9.861   0.016  -1.925
  255   2HD1  LEU  33          1HD1      LEU  33   9.592  -1.714  -2.148
  256   3HD1  LEU  33          3HD1      LEU  33  11.237  -1.087  -2.025
  257   1HD2  LEU  33          1HD2      LEU  33   9.141  -1.775  -5.286
  258   2HD2  LEU  33          3HD2      LEU  33  10.834  -2.294  -5.216
  259   3HD2  LEU  33          2HD2      LEU  33   9.730  -2.720  -3.929
  260    H    PHE  34           H        PHE  34   7.769   2.638  -5.425
  261    HA   PHE  34           HA       PHE  34   5.393   1.194  -6.348
  262   1HB   PHE  34          2HB       PHE  34   5.715   4.038  -5.211
  263   2HB   PHE  34          1HB       PHE  34   4.188   3.493  -5.883
  264    HD1  PHE  34           HD1      PHE  34   3.987   0.688  -5.182
  265    HD2  PHE  34           HD2      PHE  34   5.410   3.941  -2.753
  266    HE1  PHE  34           HE1      PHE  34   3.371  -0.554  -3.209
  267    HE2  PHE  34           HE2      PHE  34   4.786   2.711  -0.809
  268    HZ   PHE  34           HZ       PHE  34   3.731   0.370  -0.983
  269    H    ASN  35           H        ASN  35   7.655   3.350  -7.588
  270    HA   ASN  35           HA       ASN  35   6.290   4.295  -9.880
  271   1HB   ASN  35          2HB       ASN  35   8.498   5.261  -9.000
  272   2HB   ASN  35          1HB       ASN  35   9.287   3.838  -9.624
  273   1HD2  ASN  35          2HD2      ASN  35   8.656   6.934 -12.013
  274   2HD2  ASN  35          1HD2      ASN  35   8.593   7.041 -10.332
  275    H    GLN  36           H        GLN  36   8.102   1.459  -9.121
  276    HA   GLN  36           HA       GLN  36   8.626  -0.029 -11.263
  277   1HB   GLN  36          2HB       GLN  36   6.820  -0.615  -8.935
  278   2HB   GLN  36          1HB       GLN  36   7.179  -1.896 -10.042
  279   1HG   GLN  36          2HG       GLN  36   9.663  -1.468  -9.634
  280   2HG   GLN  36          1HG       GLN  36   9.164  -0.370  -8.308
  281   1HE2  GLN  36          2HE2      GLN  36   9.814  -4.036  -7.303
  282   2HE2  GLN  36          1HE2      GLN  36  10.688  -3.038  -8.369
  283    H    PHE  37           H        PHE  37   5.344   0.845 -10.279
  284    HA   PHE  37           HA       PHE  37   4.147  -0.579 -12.519
  285   1HB   PHE  37          2HB       PHE  37   2.916   0.632 -10.069
  286   2HB   PHE  37          1HB       PHE  37   1.970  -0.178 -11.265
  287    HD1  PHE  37           HD1      PHE  37   2.356  -2.539 -11.831
  288    HD2  PHE  37           HD2      PHE  37   4.576  -0.738  -8.658
  289    HE1  PHE  37           HE1      PHE  37   3.045  -4.782 -11.080
  290    HE2  PHE  37           HE2      PHE  37   5.294  -2.978  -7.897
  291    HZ   PHE  37           HZ       PHE  37   4.518  -4.992  -9.119
  292    HA   PRO  38           HA       PRO  38   3.841   2.847 -15.318
  293   1HB   PRO  38          2HB       PRO  38   1.341   2.026 -16.332
  294   2HB   PRO  38          1HB       PRO  38   2.956   1.671 -17.001
  295   1HG   PRO  38          2HG       PRO  38   1.182   0.010 -15.238
  296   2HG   PRO  38          1HG       PRO  38   2.297  -0.549 -16.504
  297   1HD   PRO  38          2HD       PRO  38   2.990  -0.802 -13.990
  298   2HD   PRO  38          1HD       PRO  38   4.208  -0.257 -15.114
  299    H    GLY  39           H        GLY  39   0.987   1.936 -13.420
  300   1HA   GLY  39          2HA       GLY  39  -0.320   4.486 -13.939
  301   2HA   GLY  39          1HA       GLY  39  -0.987   3.199 -12.947
  302    H    PHE  40           H        PHE  40   1.889   3.425 -11.655
  303    HA   PHE  40           HA       PHE  40   1.752   4.230  -9.256
  304   1HB   PHE  40          2HB       PHE  40   3.938   4.083 -10.081
  305   2HB   PHE  40          1HB       PHE  40   3.592   5.187 -11.403
  306    HD1  PHE  40           HD2      PHE  40   3.492   5.211  -7.681
  307    HD2  PHE  40           HD1      PHE  40   4.585   7.374 -11.258
  308    HE1  PHE  40           HE2      PHE  40   4.371   7.193  -6.324
  309    HE2  PHE  40           HE1      PHE  40   5.431   9.264  -9.941
  310    HZ   PHE  40           HZ       PHE  40   5.292   9.109  -7.401
  311    H    LYS  41           H        LYS  41   0.145   5.500  -8.360
  312    HA   LYS  41           HA       LYS  41  -0.180   8.212  -9.623
  313   1HB   LYS  41          2HB       LYS  41  -2.030   6.310  -8.812
  314   2HB   LYS  41          1HB       LYS  41  -2.085   7.610  -7.608
  315   1HG   LYS  41          2HG       LYS  41  -2.018   8.564 -10.378
  316   2HG   LYS  41          1HG       LYS  41  -3.473   7.652  -9.909
  317   1HD   LYS  41          2HD       LYS  41  -4.185   9.133  -8.402
  318   2HD   LYS  41          1HD       LYS  41  -2.556   9.580  -7.883
  319   1HE   LYS  41          2HE       LYS  41  -3.276  10.290 -10.666
  320   2HE   LYS  41          1HE       LYS  41  -4.105  11.194  -9.405
  321   1HZ   LYS  41          1HZ       LYS  41  -1.842  11.488  -8.354
  322   2HZ   LYS  41          3HZ       LYS  41  -1.157  10.967  -9.841
  323   3HZ   LYS  41          2HZ       LYS  41  -2.138  12.359  -9.756
  324    H    GLU  42           H        GLU  42  -0.010   6.866  -6.303
  325    HA   GLU  42           HA       GLU  42   1.549   9.237  -5.549
  326   1HB   GLU  42          2HB       GLU  42  -1.088   9.640  -5.310
  327   2HB   GLU  42          1HB       GLU  42  -0.768   8.784  -3.782
  328   1HG   GLU  42          2HG       GLU  42   1.381  10.650  -4.159
  329   2HG   GLU  42          1HG       GLU  42  -0.105  11.523  -4.505
  330    H    VAL  43           H        VAL  43   2.599   9.057  -3.694
  331    HA   VAL  43           HA       VAL  43   2.599   6.553  -2.192
  332    HB   VAL  43           HB       VAL  43   4.926   6.261  -2.270
  333   1HG1  VAL  43          2HG1      VAL  43   3.467   6.348  -4.827
  334   2HG1  VAL  43          1HG1      VAL  43   5.210   6.084  -4.889
  335   3HG1  VAL  43          3HG1      VAL  43   4.152   4.948  -4.007
  336   1HG2  VAL  43          2HG2      VAL  43   4.838   8.853  -3.757
  337   2HG2  VAL  43          1HG2      VAL  43   5.887   8.379  -2.404
  338   3HG2  VAL  43          3HG2      VAL  43   6.198   7.797  -4.056
  339    H    ARG  44           H        ARG  44   2.535   7.038  -0.152
  340    HA   ARG  44           HA       ARG  44   3.370   9.688   0.771
  341   1HB   ARG  44          2HB       ARG  44   0.786   8.813   0.657
  342   2HB   ARG  44          1HB       ARG  44   1.259   8.419   2.333
  343   1HG   ARG  44          2HG       ARG  44   2.324  10.834   2.242
  344   2HG   ARG  44          1HG       ARG  44   1.214  11.117   0.926
  345   1HD   ARG  44          2HD       ARG  44   0.248  11.832   3.128
  346   2HD   ARG  44          1HD       ARG  44  -0.695  10.588   2.311
  347    HE   ARG  44           HE       ARG  44   1.215   9.306   4.024
  348   1HH1  ARG  44          2HH1      ARG  44  -0.114  12.040   5.192
  349   2HH1  ARG  44          1HH1      ARG  44  -1.187  11.260   6.325
  350   1HH2  ARG  44          2HH2      ARG  44  -0.765   8.085   5.010
  351   2HH2  ARG  44          1HH2      ARG  44  -1.566   9.013   6.213
  352    H    LEU  45           H        LEU  45   5.275   9.060   1.437
  353    HA   LEU  45           HA       LEU  45   5.555   7.330   3.813
  354   1HB   LEU  45          2HB       LEU  45   6.447   6.160   1.730
  355   2HB   LEU  45          1HB       LEU  45   7.636   7.428   1.655
  356    HG   LEU  45           HG       LEU  45   8.068   6.822   4.138
  357   1HD1  LEU  45          2HD1      LEU  45   6.106   4.688   3.376
  358   2HD1  LEU  45          1HD1      LEU  45   7.455   4.256   4.377
  359   3HD1  LEU  45          3HD1      LEU  45   6.370   5.497   4.948
  360   1HD2  LEU  45          3HD2      LEU  45   8.972   5.794   1.698
  361   2HD2  LEU  45          2HD2      LEU  45   9.848   5.685   3.212
  362   3HD2  LEU  45          1HD2      LEU  45   8.799   4.347   2.706
  363    H    VAL  46           H        VAL  46   5.664   9.462   5.034
  364    HA   VAL  46           HA       VAL  46   7.677  11.354   4.128
  365    HB   VAL  46           HB       VAL  46   5.810  12.567   4.247
  366   1HG1  VAL  46          2HG1      VAL  46   4.921  10.730   6.429
  367   2HG1  VAL  46          1HG1      VAL  46   4.213  12.320   6.387
  368   3HG1  VAL  46          3HG1      VAL  46   4.084  11.258   4.950
  369   1HG2  VAL  46          3HG2      VAL  46   7.664  13.134   6.074
  370   2HG2  VAL  46          2HG2      VAL  46   6.170  14.123   6.021
  371   3HG2  VAL  46          1HG2      VAL  46   6.305  12.841   7.183
  372    HA   PRO  47           HA       PRO  47  10.619   9.780   6.983
  373   1HB   PRO  47          2HB       PRO  47  11.344  12.701   6.718
  374   2HB   PRO  47          1HB       PRO  47  12.402  11.267   6.943
  375   1HG   PRO  47          2HG       PRO  47  11.889  12.091   4.506
  376   2HG   PRO  47          1HG       PRO  47  11.803  10.317   4.820
  377   1HD   PRO  47          2HD       PRO  47   9.594  12.414   4.593
  378   2HD   PRO  47          1HD       PRO  47   9.639  10.759   3.980
  379    H    GLY  48           H        GLY  48  11.504  10.090   9.056
  380   1HA   GLY  48          2HA       GLY  48  11.235  10.631  11.365
  381   2HA   GLY  48          1HA       GLY  48   9.773  11.571  11.015
  382    H    ARG  49           H        ARG  49   9.215   9.181   9.167
  383    HA   ARG  49           HA       ARG  49   8.119   7.114  11.020
  384   1HB   ARG  49          2HB       ARG  49   6.837   8.094   8.459
  385   2HB   ARG  49          1HB       ARG  49   6.224   6.925   9.626
  386   1HG   ARG  49          2HG       ARG  49   5.522   8.652  11.031
  387   2HG   ARG  49          1HG       ARG  49   6.924   9.628  10.645
  388   1HD   ARG  49          2HD       ARG  49   5.557   9.487   8.183
  389   2HD   ARG  49          1HD       ARG  49   4.286   9.538   9.359
  390    HE   ARG  49           HE       ARG  49   6.362  11.656   8.986
  391   1HH1  ARG  49          2HH2      ARG  49   4.728  10.914  11.642
  392   2HH1  ARG  49          1HH2      ARG  49   3.715  12.329  11.736
  393   1HH2  ARG  49          1HH1      ARG  49   4.546  13.363   8.490
  394   2HH2  ARG  49          2HH1      ARG  49   3.641  13.729   9.897
  395    H    HIS  50           H        HIS  50   8.313   7.418   7.461
  396    HA   HIS  50           HA       HIS  50   9.378   6.030   5.945
  397   1HB   HIS  50          2HB       HIS  50  11.164   4.833   8.059
  398   2HB   HIS  50          1HB       HIS  50  11.513   5.099   6.380
  399    HD1  HIS  50           HD1      HIS  50  12.280   7.627   5.790
  400    HD2  HIS  50           HD2      HIS  50  11.774   6.921   9.850
  401    HE1  HIS  50           HE1      HIS  50  13.390   9.574   6.988
  402    HE2  HIS  50           HE2      HIS  50  13.089   9.154   9.486
  403    H    ASP  51           H        ASP  51   7.308   5.466   8.079
  404    HA   ASP  51           HA       ASP  51   7.336   2.534   7.726
  405   1HB   ASP  51          2HB       ASP  51   6.540   2.189  10.076
  406   2HB   ASP  51          1HB       ASP  51   8.186   2.837  10.024
  407    H    ILE  52           H        ILE  52   5.407   5.164   7.325
  408    HA   ILE  52           HA       ILE  52   2.981   3.479   7.402
  409    HB   ILE  52           HB       ILE  52   1.556   5.319   7.779
  410   1HG1  ILE  52          2HG1      ILE  52   3.279   7.231   8.972
  411   2HG1  ILE  52          1HG1      ILE  52   3.931   6.943   7.353
  412   1HG2  ILE  52          3HG2      ILE  52   3.117   4.012   9.589
  413   2HG2  ILE  52          2HG2      ILE  52   3.288   5.668  10.115
  414   3HG2  ILE  52          1HG2      ILE  52   1.675   4.963  10.010
  415   1HD1  ILE  52          2HD1      ILE  52   1.383   7.054   6.636
  416   2HD1  ILE  52          1HD1      ILE  52   1.246   7.993   8.158
  417   3HD1  ILE  52          3HD1      ILE  52   2.283   8.570   6.887
  418    H    ALA  53           H        ALA  53   2.542   2.989   5.379
  419    HA   ALA  53           HA       ALA  53   3.359   4.843   3.201
  420   1HB   ALA  53          1HB       ALA  53   3.802   2.021   3.548
  421   2HB   ALA  53          3HB       ALA  53   2.726   2.260   2.146
  422   3HB   ALA  53          2HB       ALA  53   4.259   3.081   2.224
  423    H    PHE  54           H        PHE  54   1.808   5.800   2.224
  424    HA   PHE  54           HA       PHE  54  -0.866   4.656   1.820
  425   1HB   PHE  54          2HB       PHE  54  -0.305   7.044   2.985
  426   2HB   PHE  54          1HB       PHE  54  -0.494   7.502   1.285
  427    HD1  PHE  54           HD2      PHE  54  -2.213   5.987   4.221
  428    HD2  PHE  54           HD1      PHE  54  -2.646   7.518   0.219
  429    HE1  PHE  54           HE2      PHE  54  -4.645   5.956   4.492
  430    HE2  PHE  54           HE1      PHE  54  -5.120   7.481   0.521
  431    HZ   PHE  54           HZ       PHE  54  -6.123   6.687   2.683
  432    H    VAL  55           H        VAL  55  -0.778   3.708  -0.076
  433    HA   VAL  55           HA       VAL  55   0.539   5.101  -2.349
  434    HB   VAL  55           HB       VAL  55   0.952   2.532  -1.177
  435   1HG1  VAL  55          3HG1      VAL  55  -0.040   2.451  -4.067
  436   2HG1  VAL  55          2HG1      VAL  55   0.960   1.213  -3.298
  437   3HG1  VAL  55          1HG1      VAL  55  -0.660   1.502  -2.695
  438   1HG2  VAL  55          1HG2      VAL  55   1.950   4.229  -3.412
  439   2HG2  VAL  55          3HG2      VAL  55   2.775   3.753  -1.934
  440   3HG2  VAL  55          2HG2      VAL  55   2.567   2.557  -3.254
  441    H    GLU  56           H        GLU  56  -0.780   5.881  -3.617
  442    HA   GLU  56           HA       GLU  56  -3.421   4.838  -4.246
  443   1HB   GLU  56          2HB       GLU  56  -2.773   7.340  -3.552
  444   2HB   GLU  56          1HB       GLU  56  -2.449   7.473  -5.285
  445   1HG   GLU  56          2HG       GLU  56  -4.663   6.584  -5.813
  446   2HG   GLU  56          1HG       GLU  56  -5.059   6.565  -4.092
  447    H    PHE  57           H        PHE  57  -3.308   3.415  -5.802
  448    HA   PHE  57           HA       PHE  57  -1.440   3.563  -8.092
  449   1HB   PHE  57          2HB       PHE  57  -2.906   1.347  -6.645
  450   2HB   PHE  57          1HB       PHE  57  -2.496   1.183  -8.334
  451    HD1  PHE  57           HD2      PHE  57  -0.006   1.784  -8.967
  452    HD2  PHE  57           HD1      PHE  57  -1.478   0.554  -5.135
  453    HE1  PHE  57           HE2      PHE  57   2.313   0.916  -8.305
  454    HE2  PHE  57           HE1      PHE  57   0.811  -0.302  -4.485
  455    HZ   PHE  57           HZ       PHE  57   2.603  -0.091  -6.128
  456    H    ASP  58           H        ASP  58  -2.475   4.620  -9.667
  457    HA   ASP  58           HA       ASP  58  -4.740   5.365 -10.518
  458   1HB   ASP  58          2HB       ASP  58  -2.514   4.728 -11.827
  459   2HB   ASP  58          1HB       ASP  58  -3.539   3.449 -12.483
  460    H    ASN  59           H        ASN  59  -4.021   1.815 -10.663
  461    HA   ASN  59           HA       ASN  59  -6.840   1.358 -10.267
  462   1HB   ASN  59          2HB       ASN  59  -7.228  -0.033 -12.231
  463   2HB   ASN  59          1HB       ASN  59  -6.644   1.505 -12.817
  464   1HD2  ASN  59          2HD2      ASN  59  -4.097   0.078 -14.666
  465   2HD2  ASN  59          1HD2      ASN  59  -5.331   1.247 -14.503
  466    H    GLU  60           H        GLU  60  -7.406  -0.736  -9.752
  467    HA   GLU  60           HA       GLU  60  -5.665  -1.945  -7.895
  468   1HB   GLU  60          2HB       GLU  60  -7.425  -3.581  -7.534
  469   2HB   GLU  60          1HB       GLU  60  -7.977  -1.941  -7.592
  470   1HG   GLU  60          2HG       GLU  60  -8.022  -3.361 -10.254
  471   2HG   GLU  60          1HG       GLU  60  -9.136  -3.973  -9.037
  472    H    VAL  61           H        VAL  61  -5.799  -2.605 -11.345
  473    HA   VAL  61           HA       VAL  61  -4.809  -5.330 -11.243
  474    HB   VAL  61           HB       VAL  61  -4.705  -3.120 -13.364
  475   1HG1  VAL  61          1HG1      VAL  61  -3.355  -5.801 -13.409
  476   2HG1  VAL  61          3HG1      VAL  61  -3.710  -4.829 -14.844
  477   3HG1  VAL  61          2HG1      VAL  61  -2.592  -4.206 -13.677
  478   1HG2  VAL  61          1HG2      VAL  61  -6.791  -4.437 -13.020
  479   2HG2  VAL  61          3HG2      VAL  61  -6.031  -4.596 -14.631
  480   3HG2  VAL  61          2HG2      VAL  61  -5.832  -5.887 -13.426
  481    H    GLN  62           H        GLN  62  -3.416  -2.139 -11.607
  482    HA   GLN  62           HA       GLN  62  -0.710  -3.173 -11.130
  483   1HB   GLN  62          2HB       GLN  62  -0.069  -0.728 -10.999
  484   2HB   GLN  62          1HB       GLN  62  -0.354  -1.456 -12.549
  485   1HG   GLN  62          2HG       GLN  62  -2.052   0.030 -12.976
  486   2HG   GLN  62          1HG       GLN  62  -2.758  -0.305 -11.404
  487   1HE2  GLN  62          1HE2      GLN  62   0.209   2.434 -10.952
  488   2HE2  GLN  62          2HE2      GLN  62   0.536   0.983 -11.739
  489    H    ALA  63           H        ALA  63  -3.235  -1.825  -9.040
  490    HA   ALA  63           HA       ALA  63  -1.329  -1.271  -7.020
  491   1HB   ALA  63          3HB       ALA  63  -3.901  -0.485  -7.361
  492   2HB   ALA  63          2HB       ALA  63  -4.219  -1.971  -6.443
  493   3HB   ALA  63          1HB       ALA  63  -3.251  -0.662  -5.738
  494    H    GLY  64           H        GLY  64  -3.409  -3.820  -8.008
  495   1HA   GLY  64          2HA       GLY  64  -2.968  -5.713  -5.977
  496   2HA   GLY  64          1HA       GLY  64  -3.596  -6.062  -7.578
  497    H    ALA  65           H        ALA  65  -1.383  -4.894  -9.026
  498    HA   ALA  65           HA       ALA  65   0.396  -7.168  -9.222
  499   1HB   ALA  65          1HB       ALA  65  -0.082  -5.433 -11.103
  500   2HB   ALA  65          3HB       ALA  65   1.040  -4.379 -10.284
  501   3HB   ALA  65          2HB       ALA  65   1.572  -5.985 -10.865
  502    H    ALA  66           H        ALA  66   1.002  -3.768  -8.147
  503    HA   ALA  66           HA       ALA  66   3.576  -4.160  -7.073
  504   1HB   ALA  66          1HB       ALA  66   1.351  -2.146  -6.771
  505   2HB   ALA  66          3HB       ALA  66   2.431  -2.234  -5.425
  506   3HB   ALA  66          2HB       ALA  66   3.046  -1.873  -7.058
  507    H    ARG  67           H        ARG  67   0.435  -4.355  -5.521
  508    HA   ARG  67           HA       ARG  67   1.259  -4.873  -2.892
  509   1HB   ARG  67          2HB       ARG  67  -1.078  -4.322  -3.673
  510   2HB   ARG  67          1HB       ARG  67  -1.302  -5.989  -4.093
  511   1HG   ARG  67          2HG       ARG  67  -0.406  -4.977  -1.367
  512   2HG   ARG  67          1HG       ARG  67  -2.096  -5.284  -1.718
  513   1HD   ARG  67          2HD       ARG  67  -0.607  -7.657  -2.431
  514   2HD   ARG  67          1HD       ARG  67  -0.170  -7.127  -0.806
  515    HE   ARG  67           HE       ARG  67  -2.891  -7.851  -1.797
  516   1HH1  ARG  67          1HH1      ARG  67  -3.041  -6.111   0.521
  517   2HH1  ARG  67          2HH1      ARG  67  -2.985  -7.183   1.886
  518   1HH2  ARG  67          2HH2      ARG  67  -1.722  -9.849   0.004
  519   2HH2  ARG  67          1HH2      ARG  67  -2.228  -9.306   1.568
  520    H    ASP  68           H        ASP  68   0.310  -7.131  -5.486
  521    HA   ASP  68           HA       ASP  68   0.945  -9.562  -4.040
  522   1HB   ASP  68          2HB       ASP  68  -0.615  -9.511  -5.913
  523   2HB   ASP  68          1HB       ASP  68   0.680  -9.096  -7.013
  524    H    ALA  69           H        ALA  69   2.937  -7.367  -5.922
  525    HA   ALA  69           HA       ALA  69   5.101  -9.267  -6.465
  526   1HB   ALA  69          2HB       ALA  69   4.422  -6.462  -6.961
  527   2HB   ALA  69          1HB       ALA  69   6.122  -6.668  -6.536
  528   3HB   ALA  69          3HB       ALA  69   5.508  -7.521  -7.916
  529    H    LEU  70           H        LEU  70   4.538  -6.521  -4.260
  530    HA   LEU  70           HA       LEU  70   6.796  -7.554  -2.525
  531   1HB   LEU  70          2HB       LEU  70   6.790  -5.301  -1.483
  532   2HB   LEU  70          1HB       LEU  70   7.331  -5.278  -3.179
  533    HG   LEU  70           HG       LEU  70   4.457  -4.948  -2.782
  534   1HD1  LEU  70          2HD1      LEU  70   6.479  -2.889  -1.799
  535   2HD1  LEU  70          1HD1      LEU  70   4.825  -2.447  -2.241
  536   3HD1  LEU  70          3HD1      LEU  70   5.117  -3.571  -0.937
  537   1HD2  LEU  70          2HD2      LEU  70   5.817  -4.801  -4.943
  538   2HD2  LEU  70          1HD2      LEU  70   4.845  -3.403  -4.605
  539   3HD2  LEU  70          3HD2      LEU  70   6.588  -3.345  -4.266
  540    H    GLN  71           H        GLN  71   4.228  -8.799  -2.521
  541    HA   GLN  71           HA       GLN  71   2.553  -7.816  -0.413
  542   1HB   GLN  71          2HB       GLN  71   2.062  -9.579  -2.400
  543   2HB   GLN  71          1HB       GLN  71   2.641 -10.749  -1.227
  544   1HG   GLN  71          2HG       GLN  71   1.027  -9.345   0.372
  545   2HG   GLN  71          1HG       GLN  71   0.167  -9.177  -1.178
  546   1HE2  GLN  71          1HE2      GLN  71  -0.402 -12.744  -1.498
  547   2HE2  GLN  71          2HE2      GLN  71   0.023 -11.427  -2.468
  548    H    GLY  72           H        GLY  72   5.543  -8.473   0.356
  549   1HA   GLY  72          2HA       GLY  72   4.950  -9.413   2.965
  550   2HA   GLY  72          1HA       GLY  72   5.481 -10.756   1.951
  551    H    PHE  73           H        PHE  73   6.435  -7.295   2.385
  552    HA   PHE  73           HA       PHE  73   9.190  -7.976   1.853
  553   1HB   PHE  73          2HB       PHE  73   8.252  -5.814   1.233
  554   2HB   PHE  73          1HB       PHE  73   7.875  -5.415   2.906
  555    HD1  PHE  73           HD1      PHE  73  10.983  -7.071   1.632
  556    HD2  PHE  73           HD2      PHE  73   9.282  -3.482   3.213
  557    HE1  PHE  73           HE1      PHE  73  13.218  -6.162   1.825
  558    HE2  PHE  73           HE2      PHE  73  11.612  -2.539   3.413
  559    HZ   PHE  73           HZ       PHE  73  13.574  -3.842   2.728
  560    H    LYS  74           H        LYS  74   9.218  -9.666   3.450
  561    HA   LYS  74           HA       LYS  74   8.925  -9.325   6.289
  562   1HB   LYS  74          2HB       LYS  74  10.601 -11.361   6.325
  563   2HB   LYS  74          1HB       LYS  74   9.020 -11.578   5.608
  564   1HG   LYS  74          2HG       LYS  74   9.923 -11.902   3.568
  565   2HG   LYS  74          1HG       LYS  74  11.010 -10.500   3.721
  566   1HD   LYS  74          2HD       LYS  74  12.546 -12.279   3.632
  567   2HD   LYS  74          1HD       LYS  74  12.359 -11.934   5.339
  568   1HE   LYS  74          2HE       LYS  74  11.478 -13.986   5.710
  569   2HE   LYS  74          1HE       LYS  74  10.243 -13.723   4.498
  570   1HZ   LYS  74          1HZ       LYS  74  12.914 -14.283   3.501
  571   2HZ   LYS  74          3HZ       LYS  74  12.128 -15.580   4.219
  572   3HZ   LYS  74          2HZ       LYS  74  11.380 -14.798   2.905
  573    H    ILE  75           H        ILE  75   9.842  -7.312   6.620
  574    HA   ILE  75           HA       ILE  75  12.421  -6.448   6.097
  575    HB   ILE  75           HB       ILE  75  10.443  -6.030   8.325
  576   1HG1  ILE  75          2HG1      ILE  75  11.211  -3.648   7.050
  577   2HG1  ILE  75          1HG1      ILE  75  11.088  -4.866   5.772
  578   1HG2  ILE  75          3HG2      ILE  75  13.287  -5.090   8.263
  579   2HG2  ILE  75          2HG2      ILE  75  12.050  -3.937   8.819
  580   3HG2  ILE  75          1HG2      ILE  75  12.295  -5.459   9.680
  581   1HD1  ILE  75          1HD1      ILE  75   8.922  -4.817   7.831
  582   2HD1  ILE  75          3HD1      ILE  75   8.998  -3.414   6.717
  583   3HD1  ILE  75          2HD1      ILE  75   8.802  -5.014   6.076
  584    H    THR  76           H        THR  76  11.165  -8.727   8.352
  585    HA   THR  76           HA       THR  76  13.960  -9.520   9.172
  586    HB   THR  76           HB       THR  76  11.534  -9.286  10.997
  587    HG1  THR  76          1HG       THR  76  13.525  -7.957  11.993
  588   1HG2  THR  76          3HG2      THR  76  13.144 -11.197  11.425
  589   2HG2  THR  76          2HG2      THR  76  14.367  -9.974  11.804
  590   3HG2  THR  76          1HG2      THR  76  12.862 -10.120  12.767
  591    H    GLN  77           H        GLN  77  10.629 -10.423   9.486
  592    HA   GLN  77           HA       GLN  77  10.099 -12.433   7.871
  593   1HB   GLN  77          2HB       GLN  77  10.668 -14.550   9.091
  594   2HB   GLN  77          1HB       GLN  77  12.088 -13.808   8.379
  595   1HG   GLN  77          2HG       GLN  77  12.820 -12.973  10.547
  596   2HG   GLN  77          1HG       GLN  77  11.234 -13.365  11.233
  597   1HE2  GLN  77          1HE2      GLN  77  13.409 -16.201  12.187
  598   2HE2  GLN  77          2HE2      GLN  77  13.155 -14.630  12.712
  599    H    ASN  78           H        ASN  78  10.316 -11.536  11.196
  600    HA   ASN  78           HA       ASN  78   7.568 -12.455  11.774
  601   1HB   ASN  78          2HB       ASN  78   9.061 -10.894  13.859
  602   2HB   ASN  78          1HB       ASN  78   8.233 -12.467  14.012
  603   1HD2  ASN  78          1HD2      ASN  78  11.192 -14.347  13.513
  604   2HD2  ASN  78          2HD2      ASN  78   9.531 -14.406  13.759
  605    H    ASN  79           H        ASN  79   9.585  -9.775  11.126
  606    HA   ASN  79           HA       ASN  79   7.368  -7.790  11.291
  607   1HB   ASN  79          2HB       ASN  79  10.323  -7.219  10.721
  608   2HB   ASN  79          1HB       ASN  79   9.072  -6.094  11.234
  609   1HD2  ASN  79          2HD2      ASN  79   9.381  -6.824  14.684
  610   2HD2  ASN  79          1HD2      ASN  79   8.515  -5.953  13.501
  611    H    ALA  80           H        ALA  80   6.268  -7.831   9.330
  612    HA   ALA  80           HA       ALA  80   7.961  -7.759   6.881
  613   1HB   ALA  80          2HB       ALA  80   5.497  -9.408   7.388
  614   2HB   ALA  80          1HB       ALA  80   6.158  -9.037   5.776
  615   3HB   ALA  80          3HB       ALA  80   7.111  -9.979   6.914
  616    H    MET  81           H        MET  81   7.312  -6.117   5.576
  617    HA   MET  81           HA       MET  81   5.915  -3.915   6.315
  618   1HB   MET  81          2HB       MET  81   7.042  -3.926   4.169
  619   2HB   MET  81          1HB       MET  81   6.148  -5.394   3.714
  620   1HG   MET  81          2HG       MET  81   4.451  -4.284   2.811
  621   2HG   MET  81          1HG       MET  81   4.379  -3.164   4.176
  622   1HE   MET  81          2HE       MET  81   6.332  -4.267   1.062
  623   2HE   MET  81          1HE       MET  81   7.277  -2.850   0.576
  624   3HE   MET  81          3HE       MET  81   7.700  -3.699   2.057
  625    H    LYS  82           H        LYS  82   3.576  -3.278   6.588
  626    HA   LYS  82           HA       LYS  82   1.618  -5.332   5.677
  627   1HB   LYS  82          2HB       LYS  82   2.076  -4.095   8.380
  628   2HB   LYS  82          1HB       LYS  82   0.402  -4.387   7.842
  629   1HG   LYS  82          2HG       LYS  82   2.517  -6.514   7.675
  630   2HG   LYS  82          1HG       LYS  82   1.624  -6.151   9.129
  631   1HD   LYS  82          2HD       LYS  82  -0.059  -7.490   8.335
  632   2HD   LYS  82          1HD       LYS  82  -0.387  -6.253   7.160
  633   1HE   LYS  82          2HE       LYS  82  -0.005  -8.132   5.868
  634   2HE   LYS  82          1HE       LYS  82   1.530  -7.268   5.725
  635   1HZ   LYS  82          2HZ       LYS  82   0.995  -9.286   7.849
  636   2HZ   LYS  82          1HZ       LYS  82   1.543  -9.776   6.326
  637   3HZ   LYS  82          3HZ       LYS  82   2.510  -8.787   7.301
  638    H    ILE  83           H        ILE  83   0.543  -4.559   4.197
  639    HA   ILE  83           HA       ILE  83  -0.105  -1.702   3.670
  640    HB   ILE  83           HB       ILE  83   1.089  -3.892   2.006
  641   1HG1  ILE  83          2HG1      ILE  83   1.191  -0.855   1.711
  642   2HG1  ILE  83          1HG1      ILE  83   2.165  -1.699   2.939
  643   1HG2  ILE  83          3HG2      ILE  83  -1.169  -2.148   1.264
  644   2HG2  ILE  83          2HG2      ILE  83   0.166  -2.283   0.095
  645   3HG2  ILE  83          1HG2      ILE  83  -0.720  -3.728   0.618
  646   1HD1  ILE  83          2HD1      ILE  83   2.140  -2.513   0.012
  647   2HD1  ILE  83          1HD1      ILE  83   3.218  -1.270   0.661
  648   3HD1  ILE  83          3HD1      ILE  83   3.320  -2.957   1.207
  649    H    SER  84           H        SER  84  -2.216  -1.432   3.737
  650    HA   SER  84           HA       SER  84  -4.046  -3.709   3.526
  651   1HB   SER  84          2HB       SER  84  -5.076  -3.155   5.423
  652   2HB   SER  84          1HB       SER  84  -3.501  -2.433   5.776
  653    HG   SER  84           HG       SER  84  -5.660  -0.938   4.668
  654    H    PHE  85           H        PHE  85  -4.939  -3.405   1.522
  655    HA   PHE  85           HA       PHE  85  -5.179  -1.269  -0.061
  656   1HB   PHE  85          2HB       PHE  85  -7.333  -3.367   0.522
  657   2HB   PHE  85          1HB       PHE  85  -7.404  -2.220  -0.815
  658    HD1  PHE  85           HD2      PHE  85  -5.730  -2.687  -2.788
  659    HD2  PHE  85           HD1      PHE  85  -5.932  -5.166   0.687
  660    HE1  PHE  85           HE2      PHE  85  -4.420  -4.422  -3.996
  661    HE2  PHE  85           HE1      PHE  85  -4.636  -6.915  -0.503
  662    HZ   PHE  85           HZ       PHE  85  -3.875  -6.537  -2.858
  663    H    ALA  86           H        ALA  86  -7.068   0.439  -0.292
  664    HA   ALA  86           HA       ALA  86  -7.859   1.547   2.162
  665   1HB   ALA  86          3HB       ALA  86  -8.677   1.979  -0.663
  666   2HB   ALA  86          2HB       ALA  86  -9.896   2.324   0.559
  667   3HB   ALA  86          1HB       ALA  86  -8.339   3.117   0.667
  668    H    LYS  87           H        LYS  87  -9.111  -1.274   0.705
  669    HA   LYS  87           HA       LYS  87 -11.448  -1.985   0.879
  670   1HB   LYS  87          2HB       LYS  87 -10.675  -3.875   1.473
  671   2HB   LYS  87          1HB       LYS  87  -9.239  -3.166   2.239
  672   1HG   LYS  87          2HG       LYS  87 -10.366  -3.080   4.368
  673   2HG   LYS  87          1HG       LYS  87 -11.938  -3.417   3.653
  674   1HD   LYS  87          2HD       LYS  87 -11.466  -5.616   4.117
  675   2HD   LYS  87          1HD       LYS  87 -10.357  -5.521   2.743
  676   1HE   LYS  87          2HE       LYS  87  -8.526  -5.011   4.121
  677   2HE   LYS  87          1HE       LYS  87  -9.555  -4.847   5.575
  678   1HZ   LYS  87          1HZ       LYS  87  -9.985  -7.297   4.199
  679   2HZ   LYS  87          3HZ       LYS  87  -8.329  -7.154   4.642
  680   3HZ   LYS  87          2HZ       LYS  87  -9.526  -7.045   5.814
  681    H    LYS  88           H        LYS  88 -13.049  -0.739   1.348
  682    HA   LYS  88           HA       LYS  88 -13.426   0.332   4.080
  683   1HB   LYS  88          2HB       LYS  88 -14.720   2.079   3.033
  684   2HB   LYS  88          1HB       LYS  88 -13.200   1.840   2.152
  685   1HG   LYS  88          2HG       LYS  88 -14.286   1.233   0.276
  686   2HG   LYS  88          1HG       LYS  88 -15.494   0.270   1.162
  687   1HD   LYS  88          2HD       LYS  88 -16.352   2.539   2.038
  688   2HD   LYS  88          1HD       LYS  88 -15.536   3.159   0.568
  689   1HE   LYS  88          2HE       LYS  88 -16.864   1.522  -0.787
  690   2HE   LYS  88          1HE       LYS  88 -17.517   0.860   0.715
  691   1HZ   LYS  88          2HZ       LYS  88 -17.865   3.687   0.298
  692   2HZ   LYS  88          1HZ       LYS  88 -18.700   2.762  -0.821
  693   3HZ   LYS  88          3HZ       LYS  88 -19.005   2.532   0.849
   
  No H/Q in entry =         693
  Start of MODEL    4
    1   1H    MET   1          2H        MET   1 -20.809  11.574  -4.130
    2   2H    MET   1          1H        MET   1 -20.842  12.826  -5.301
    3   3H    MET   1          3H        MET   1 -21.411  13.107  -3.731
    4    HA   MET   1           HA       MET   1 -23.414  12.747  -4.517
    5   1HB   MET   1          2HB       MET   1 -23.041  12.799  -6.814
    6   2HB   MET   1          1HB       MET   1 -21.940  11.389  -6.765
    7   1HG   MET   1          2HG       MET   1 -24.145  10.800  -7.767
    8   2HG   MET   1          1HG       MET   1 -23.978   9.964  -6.222
    9   1HE   MET   1          3HE       MET   1 -26.211   9.684  -7.032
   10   2HE   MET   1          2HE       MET   1 -27.548  10.533  -6.221
   11   3HE   MET   1          1HE       MET   1 -27.036  11.017  -7.837
   12    H    ALA   2           H        ALA   2 -21.650   9.718  -5.084
   13    HA   ALA   2           HA       ALA   2 -23.660   8.287  -3.534
   14   1HB   ALA   2          1HB       ALA   2 -22.503   7.293  -5.578
   15   2HB   ALA   2          3HB       ALA   2 -21.045   7.178  -4.628
   16   3HB   ALA   2          2HB       ALA   2 -22.475   6.206  -4.190
   17    HA   PRO   3           HA       PRO   3 -21.083   8.964   0.155
   18   1HB   PRO   3          2HB       PRO   3 -22.462   7.405   1.872
   19   2HB   PRO   3          1HB       PRO   3 -23.056   9.002   1.361
   20   1HG   PRO   3          2HG       PRO   3 -23.856   6.271   0.240
   21   2HG   PRO   3          1HG       PRO   3 -24.886   7.654   0.757
   22   1HD   PRO   3          2HD       PRO   3 -24.187   7.185  -1.866
   23   2HD   PRO   3          1HD       PRO   3 -24.369   8.849  -1.269
   24    H    ALA   4           H        ALA   4 -22.108   5.896  -1.200
   25    HA   ALA   4           HA       ALA   4 -21.143   3.799  -1.273
   26   1HB   ALA   4          2HB       ALA   4 -18.684   5.523  -1.145
   27   2HB   ALA   4          1HB       ALA   4 -18.647   3.810  -1.485
   28   3HB   ALA   4          3HB       ALA   4 -19.454   4.887  -2.619
   29    H    GLN   5           H        GLN   5 -22.019   3.226   0.800
   30    HA   GLN   5           HA       GLN   5 -21.110   3.633   3.353
   31   1HB   GLN   5          2HB       GLN   5 -22.359   1.243   2.056
   32   2HB   GLN   5          1HB       GLN   5 -21.799   1.179   3.730
   33   1HG   GLN   5          2HG       GLN   5 -23.080   3.501   3.923
   34   2HG   GLN   5          1HG       GLN   5 -23.954   2.901   2.511
   35   1HE2  GLN   5          1HE2      GLN   5 -26.114   1.309   4.745
   36   2HE2  GLN   5          2HE2      GLN   5 -25.910   2.562   3.645
   37    HA   PRO   6           HA       PRO   6 -17.203   1.319   3.079
   38   1HB   PRO   6          2HB       PRO   6 -15.653   3.247   4.184
   39   2HB   PRO   6          1HB       PRO   6 -16.357   3.528   2.565
   40   1HG   PRO   6          2HG       PRO   6 -17.106   4.739   5.209
   41   2HG   PRO   6          1HG       PRO   6 -17.372   5.383   3.591
   42   1HD   PRO   6          2HD       PRO   6 -19.234   3.886   5.245
   43   2HD   PRO   6          1HD       PRO   6 -19.486   4.675   3.690
   44    H    LEU   7           H        LEU   7 -18.857   0.392   4.891
   45    HA   LEU   7           HA       LEU   7 -17.187   0.209   7.365
   46   1HB   LEU   7          2HB       LEU   7 -19.106   1.939   7.641
   47   2HB   LEU   7          1HB       LEU   7 -20.194   0.552   7.490
   48    HG   LEU   7           HG       LEU   7 -17.934   0.305   9.460
   49   1HD1  LEU   7          3HD1      LEU   7 -20.362   2.082   9.900
   50   2HD1  LEU   7          2HD1      LEU   7 -19.312   1.521  11.189
   51   3HD1  LEU   7          1HD1      LEU   7 -18.679   2.591   9.928
   52   1HD2  LEU   7          2HD2      LEU   7 -20.252  -1.028   8.776
   53   2HD2  LEU   7          1HD2      LEU   7 -19.294  -1.298  10.247
   54   3HD2  LEU   7          3HD2      LEU   7 -20.655  -0.199  10.292
   55    H    SER   8           H        SER   8 -20.284  -1.011   5.941
   56    HA   SER   8           HA       SER   8 -19.512  -3.716   6.948
   57   1HB   SER   8          2HB       SER   8 -21.764  -2.887   7.692
   58   2HB   SER   8          1HB       SER   8 -22.180  -2.684   6.005
   59    HG   SER   8           HG       SER   8 -22.368  -4.874   7.425
   60    H    GLU   9           H        GLU   9 -18.645  -4.983   5.426
   61    HA   GLU   9           HA       GLU   9 -18.292  -6.141   3.409
   62   1HB   GLU   9          2HB       GLU   9 -20.906  -4.945   2.452
   63   2HB   GLU   9          1HB       GLU   9 -20.010  -6.362   1.849
   64   1HG   GLU   9          2HG       GLU   9 -20.685  -6.403   4.726
   65   2HG   GLU   9          1HG       GLU   9 -22.050  -6.566   3.594
   66    H    ASN  10           H        ASN  10 -16.588  -5.217   2.457
   67    HA   ASN  10           HA       ASN  10 -17.087  -2.828   0.747
   68   1HB   ASN  10          2HB       ASN  10 -15.799  -1.980   2.496
   69   2HB   ASN  10          1HB       ASN  10 -14.752  -3.381   2.591
   70   1HD2  ASN  10          1HD2      ASN  10 -12.364  -2.150   0.354
   71   2HD2  ASN  10          2HD2      ASN  10 -12.747  -3.218   1.604
   72    HA   PRO  11           HA       PRO  11 -15.880  -5.623  -2.528
   73   1HB   PRO  11          2HB       PRO  11 -14.902  -3.052  -3.704
   74   2HB   PRO  11          1HB       PRO  11 -16.000  -4.264  -4.377
   75   1HG   PRO  11          2HG       PRO  11 -16.906  -1.873  -3.543
   76   2HG   PRO  11          1HG       PRO  11 -17.874  -3.358  -3.350
   77   1HD   PRO  11          2HD       PRO  11 -16.311  -1.920  -1.207
   78   2HD   PRO  11          1HD       PRO  11 -17.732  -2.958  -1.095
   79    HA   PRO  12           HA       PRO  12 -11.573  -6.473  -2.745
   80   1HB   PRO  12          2HB       PRO  12 -11.278  -5.378  -5.511
   81   2HB   PRO  12          1HB       PRO  12 -10.947  -7.012  -4.886
   82   1HG   PRO  12          2HG       PRO  12 -13.208  -6.538  -6.338
   83   2HG   PRO  12          1HG       PRO  12 -13.047  -7.754  -5.029
   84   1HD   PRO  12          2HD       PRO  12 -14.454  -5.120  -5.005
   85   2HD   PRO  12          1HD       PRO  12 -14.888  -6.605  -4.120
   86    H    ASN  13           H        ASN  13  -9.661  -5.381  -2.449
   87    HA   ASN  13           HA       ASN  13  -9.926  -2.396  -2.469
   88   1HB   ASN  13          2HB       ASN  13  -7.639  -3.663  -0.964
   89   2HB   ASN  13          1HB       ASN  13  -8.657  -2.281  -0.541
   90   1HD2  ASN  13          1HD2      ASN  13 -10.764  -4.152   1.467
   91   2HD2  ASN  13          2HD2      ASN  13 -10.237  -2.605   1.022
   92    H    HIS  14           H        HIS  14  -8.439  -1.047  -3.087
   93    HA   HIS  14           HA       HIS  14  -6.098  -1.896  -4.710
   94   1HB   HIS  14          2HB       HIS  14  -7.130   0.627  -5.583
   95   2HB   HIS  14          1HB       HIS  14  -7.050  -0.868  -6.461
   96    HD1  HIS  14           HD1      HIS  14  -9.413  -2.333  -6.508
   97    HD2  HIS  14           HD2      HIS  14  -9.538   1.222  -4.257
   98    HE1  HIS  14           HE1      HIS  14 -11.791  -1.886  -5.914
   99    HE2  HIS  14           HE2      HIS  14 -11.940   0.254  -4.543
  100    H    ILE  15           H        ILE  15  -6.820  -0.826  -1.903
  101    HA   ILE  15           HA       ILE  15  -4.889   1.414  -1.732
  102    HB   ILE  15           HB       ILE  15  -7.695   1.538  -0.778
  103   1HG1  ILE  15          2HG1      ILE  15  -5.404   3.325  -1.508
  104   2HG1  ILE  15          1HG1      ILE  15  -6.919   3.131  -2.432
  105   1HG2  ILE  15          3HG2      ILE  15  -5.237   2.119   0.902
  106   2HG2  ILE  15          2HG2      ILE  15  -6.725   2.986   1.210
  107   3HG2  ILE  15          1HG2      ILE  15  -6.745   1.261   1.349
  108   1HD1  ILE  15          2HD1      ILE  15  -7.706   4.089   0.047
  109   2HD1  ILE  15          1HD1      ILE  15  -6.187   4.918  -0.188
  110   3HD1  ILE  15          3HD1      ILE  15  -7.463   5.081  -1.418
  111    H    LEU  16           H        LEU  16  -3.245   0.559  -0.560
  112    HA   LEU  16           HA       LEU  16  -3.919  -1.281   1.660
  113   1HB   LEU  16          2HB       LEU  16  -1.348  -1.466   0.096
  114   2HB   LEU  16          1HB       LEU  16  -2.211  -2.804   0.897
  115    HG   LEU  16           HG       LEU  16  -4.096  -2.326  -0.832
  116   1HD1  LEU  16          3HD1      LEU  16  -1.738  -0.836  -1.860
  117   2HD1  LEU  16          2HD1      LEU  16  -2.424  -2.010  -3.012
  118   3HD1  LEU  16          1HD1      LEU  16  -3.427  -0.733  -2.343
  119   1HD2  LEU  16          3HD2      LEU  16  -2.472  -4.301  -0.353
  120   2HD2  LEU  16          2HD2      LEU  16  -3.299  -4.271  -1.882
  121   3HD2  LEU  16          1HD2      LEU  16  -1.641  -3.694  -1.789
  122    H    PHE  17           H        PHE  17  -3.534  -0.426   3.421
  123    HA   PHE  17           HA       PHE  17  -1.324   1.460   3.905
  124   1HB   PHE  17          2HB       PHE  17  -3.321   2.771   4.114
  125   2HB   PHE  17          1HB       PHE  17  -4.111   1.452   4.969
  126    HD1  PHE  17           HD1      PHE  17  -0.649   2.837   5.401
  127    HD2  PHE  17           HD2      PHE  17  -4.472   2.224   7.177
  128    HE1  PHE  17           HE1      PHE  17   0.223   3.644   7.549
  129    HE2  PHE  17           HE2      PHE  17  -3.577   3.068   9.401
  130    HZ   PHE  17           HZ       PHE  17  -1.244   3.763   9.573
  131    H    LEU  18           H        LEU  18  -0.097   0.985   5.468
  132    HA   LEU  18           HA       LEU  18  -0.481  -0.263   7.796
  133   1HB   LEU  18          2HB       LEU  18  -1.275  -2.322   6.579
  134   2HB   LEU  18          1HB       LEU  18   0.384  -2.673   6.296
  135    HG   LEU  18           HG       LEU  18   0.186  -1.808   8.993
  136   1HD1  LEU  18          2HD1      LEU  18  -2.374  -2.097   8.221
  137   2HD1  LEU  18          1HD1      LEU  18  -2.041  -3.694   8.809
  138   3HD1  LEU  18          3HD1      LEU  18  -1.798  -2.269   9.858
  139   1HD2  LEU  18          1HD2      LEU  18   0.838  -4.298   7.659
  140   2HD2  LEU  18          3HD2      LEU  18   1.030  -3.888   9.389
  141   3HD2  LEU  18          2HD2      LEU  18  -0.407  -4.675   8.806
  142    H    THR  19           H        THR  19   1.813  -1.703   8.012
  143    HA   THR  19           HA       THR  19   3.570   0.599   8.026
  144    HB   THR  19           HB       THR  19   3.978   0.379  10.133
  145    HG1  THR  19          1HG       THR  19   3.543  -2.461   9.925
  146   1HG2  THR  19          1HG2      THR  19   1.545   0.389   9.748
  147   2HG2  THR  19          3HG2      THR  19   1.505  -1.314  10.251
  148   3HG2  THR  19          2HG2      THR  19   2.040  -0.051  11.370
  149    H    ASN  20           H        ASN  20   5.108   0.326   6.652
  150    HA   ASN  20           HA       ASN  20   6.169  -2.341   5.889
  151   1HB   ASN  20          2HB       ASN  20   6.089  -0.633   4.151
  152   2HB   ASN  20          1HB       ASN  20   7.103   0.433   5.181
  153   1HD2  ASN  20          1HD2      ASN  20   9.412  -2.715   4.276
  154   2HD2  ASN  20          2HD2      ASN  20   8.344  -2.775   5.563
  155    H    LEU  21           H        LEU  21   6.894   0.529   7.678
  156    HA   LEU  21           HA       LEU  21   7.831   0.717   9.717
  157   1HB   LEU  21          2HB       LEU  21   8.773  -2.107   9.342
  158   2HB   LEU  21          1HB       LEU  21   9.465  -1.021  10.515
  159    HG   LEU  21           HG       LEU  21   7.661  -2.016  11.737
  160   1HD1  LEU  21          1HD1      LEU  21   6.926   0.480  11.402
  161   2HD1  LEU  21          3HD1      LEU  21   6.029  -0.103  10.017
  162   3HD1  LEU  21          2HD1      LEU  21   5.593  -0.704  11.595
  163   1HD2  LEU  21          1HD2      LEU  21   7.221  -3.429   9.692
  164   2HD2  LEU  21          3HD2      LEU  21   5.778  -3.032  10.582
  165   3HD2  LEU  21          2HD2      LEU  21   6.253  -2.111   9.119
  166    HA   PRO  22           HA       PRO  22  11.991   1.833   8.490
  167   1HB   PRO  22          2HB       PRO  22  13.896   0.256   9.310
  168   2HB   PRO  22          1HB       PRO  22  12.469   0.382  10.326
  169   1HG   PRO  22          2HG       PRO  22  13.220  -1.910   8.516
  170   2HG   PRO  22          1HG       PRO  22  12.259  -1.901  10.035
  171   1HD   PRO  22          2HD       PRO  22  11.396  -1.463   7.245
  172   2HD   PRO  22          1HD       PRO  22  10.478  -2.036   8.642
  173    H    GLU  23           H        GLU  23  14.428   0.883   7.580
  174    HA   GLU  23           HA       GLU  23  15.671   0.199   5.793
  175   1HB   GLU  23          2HB       GLU  23  13.389  -1.132   4.967
  176   2HB   GLU  23          1HB       GLU  23  13.377   0.248   3.873
  177   1HG   GLU  23          2HG       GLU  23  15.339  -0.484   2.769
  178   2HG   GLU  23          1HG       GLU  23  15.873  -1.337   4.218
  179    H    GLU  24           H        GLU  24  14.269   2.752   6.585
  180    HA   GLU  24           HA       GLU  24  14.427   4.976   5.944
  181   1HB   GLU  24          2HB       GLU  24  16.894   3.952   5.145
  182   2HB   GLU  24          1HB       GLU  24  16.192   4.468   3.602
  183   1HG   GLU  24          2HG       GLU  24  15.811   6.419   5.726
  184   2HG   GLU  24          1HG       GLU  24  17.519   6.096   5.333
  185    H    THR  25           H        THR  25  12.725   2.939   4.706
  186    HA   THR  25           HA       THR  25  12.294   2.924   2.049
  187    HB   THR  25           HB       THR  25  10.865   1.584   3.287
  188    HG1  THR  25          1HG       THR  25   9.021   2.053   2.251
  189   1HG2  THR  25          1HG2      THR  25  10.920   2.938   5.414
  190   2HG2  THR  25          3HG2      THR  25   9.588   3.904   4.738
  191   3HG2  THR  25          2HG2      THR  25   9.410   2.179   4.991
  192    H    ASN  26           H        ASN  26  12.843   4.780   1.023
  193    HA   ASN  26           HA       ASN  26  11.938   7.420   1.777
  194   1HB   ASN  26          2HB       ASN  26  13.841   7.638   0.696
  195   2HB   ASN  26          1HB       ASN  26  13.641   6.119  -0.232
  196   1HD2  ASN  26          2HD2      ASN  26  13.649   8.407  -2.912
  197   2HD2  ASN  26          1HD2      ASN  26  14.642   7.418  -1.991
  198    H    GLU  27           H        GLU  27  10.302   8.592   0.887
  199    HA   GLU  27           HA       GLU  27   7.902   7.299   0.048
  200   1HB   GLU  27          2HB       GLU  27   7.642   9.906  -0.963
  201   2HB   GLU  27          1HB       GLU  27   6.970   9.153   0.458
  202   1HG   GLU  27          2HG       GLU  27   8.873  10.072   1.801
  203   2HG   GLU  27          1HG       GLU  27   9.782  10.360   0.338
  204    H    LEU  28           H        LEU  28  10.290   9.085  -1.919
  205    HA   LEU  28           HA       LEU  28   8.877   8.823  -4.388
  206   1HB   LEU  28          2HB       LEU  28  10.329  10.697  -4.518
  207   2HB   LEU  28          1HB       LEU  28  11.444   9.964  -3.385
  208    HG   LEU  28           HG       LEU  28  12.328   8.489  -5.147
  209   1HD1  LEU  28          3HD1      LEU  28   9.912   9.346  -6.428
  210   2HD1  LEU  28          2HD1      LEU  28  11.214   9.992  -7.409
  211   3HD1  LEU  28          1HD1      LEU  28  11.165   8.268  -7.101
  212   1HD2  LEU  28          1HD2      LEU  28  13.126  10.897  -4.581
  213   2HD2  LEU  28          3HD2      LEU  28  13.639  10.192  -6.100
  214   3HD2  LEU  28          2HD2      LEU  28  12.304  11.379  -6.044
  215    H    MET  29           H        MET  29  11.083   7.020  -2.489
  216    HA   MET  29           HA       MET  29  12.214   5.328  -4.521
  217   1HB   MET  29          2HB       MET  29  13.021   5.696  -2.064
  218   2HB   MET  29          1HB       MET  29  11.725   4.577  -1.618
  219   1HG   MET  29          2HG       MET  29  13.513   3.651  -3.726
  220   2HG   MET  29          1HG       MET  29  14.300   3.886  -2.173
  221   1HE   MET  29          3HE       MET  29  13.629   1.311  -3.988
  222   2HE   MET  29          2HE       MET  29  14.744   1.249  -2.612
  223   3HE   MET  29          1HE       MET  29  13.445   0.053  -2.730
  224    H    LEU  30           H        LEU  30   9.754   4.735  -2.051
  225    HA   LEU  30           HA       LEU  30   8.764   2.409  -3.413
  226   1HB   LEU  30          2HB       LEU  30   8.144   3.936  -0.944
  227   2HB   LEU  30          1HB       LEU  30   6.730   3.070  -1.609
  228    HG   LEU  30           HG       LEU  30   9.422   1.981  -0.834
  229   1HD1  LEU  30          1HD1      LEU  30   7.526   2.380   0.925
  230   2HD1  LEU  30          3HD1      LEU  30   6.741   0.956   0.185
  231   3HD1  LEU  30          2HD1      LEU  30   8.339   0.840   0.920
  232   1HD2  LEU  30          3HD2      LEU  30   7.308   0.856  -2.569
  233   2HD2  LEU  30          2HD2      LEU  30   9.045   0.564  -2.533
  234   3HD2  LEU  30          1HD2      LEU  30   7.959  -0.287  -1.408
  235    H    SER  31           H        SER  31   8.218   5.848  -3.688
  236    HA   SER  31           HA       SER  31   5.693   5.525  -5.077
  237   1HB   SER  31          2HB       SER  31   6.465   7.876  -4.206
  238   2HB   SER  31          1HB       SER  31   7.738   7.764  -5.452
  239    HG   SER  31           HG       SER  31   6.151   7.767  -6.968
  240    H    MET  32           H        MET  32   9.065   5.395  -6.037
  241    HA   MET  32           HA       MET  32   8.320   5.437  -8.841
  242   1HB   MET  32          2HB       MET  32  10.547   5.928  -8.942
  243   2HB   MET  32          1HB       MET  32  10.771   5.466  -7.230
  244   1HG   MET  32          2HG       MET  32  11.151   3.225  -7.762
  245   2HG   MET  32          1HG       MET  32  10.516   3.472  -9.387
  246   1HE   MET  32          1HE       MET  32  12.413   2.025  -9.589
  247   2HE   MET  32          3HE       MET  32  13.241   2.814 -10.945
  248   3HE   MET  32          2HE       MET  32  14.138   2.367  -9.497
  249    H    LEU  33           H        LEU  33   8.927   3.021  -6.262
  250    HA   LEU  33           HA       LEU  33   9.015   0.646  -7.928
  251   1HB   LEU  33          2HB       LEU  33   8.753   1.368  -5.013
  252   2HB   LEU  33          1HB       LEU  33   8.064  -0.156  -5.522
  253    HG   LEU  33           HG       LEU  33  10.926   0.786  -6.032
  254   1HD1  LEU  33          3HD1      LEU  33   9.833  -0.802  -3.744
  255   2HD1  LEU  33          2HD1      LEU  33  11.500  -1.024  -4.265
  256   3HD1  LEU  33          1HD1      LEU  33  10.983   0.572  -3.779
  257   1HD2  LEU  33          3HD2      LEU  33   9.467  -1.349  -7.142
  258   2HD2  LEU  33          2HD2      LEU  33  11.259  -1.315  -7.075
  259   3HD2  LEU  33          1HD2      LEU  33  10.319  -2.111  -5.836
  260    H    PHE  34           H        PHE  34   6.702   2.620  -6.309
  261    HA   PHE  34           HA       PHE  34   4.514   0.804  -6.846
  262   1HB   PHE  34          2HB       PHE  34   4.573   3.595  -5.628
  263   2HB   PHE  34          1HB       PHE  34   3.056   2.817  -6.003
  264    HD1  PHE  34           HD1      PHE  34   3.775  -0.157  -5.374
  265    HD2  PHE  34           HD2      PHE  34   4.581   3.483  -3.261
  266    HE1  PHE  34           HE1      PHE  34   3.930  -1.356  -3.303
  267    HE2  PHE  34           HE2      PHE  34   4.749   2.243  -1.136
  268    HZ   PHE  34           HZ       PHE  34   4.409  -0.243  -1.150
  269    H    ASN  35           H        ASN  35   6.088   3.527  -8.192
  270    HA   ASN  35           HA       ASN  35   4.241   4.419 -10.176
  271   1HB   ASN  35          2HB       ASN  35   6.122   5.831  -9.719
  272   2HB   ASN  35          1HB       ASN  35   7.275   4.559 -10.169
  273   1HD2  ASN  35          2HD2      ASN  35   5.605   6.846 -13.000
  274   2HD2  ASN  35          1HD2      ASN  35   5.174   6.986 -11.341
  275    H    GLN  36           H        GLN  36   6.693   1.924 -10.106
  276    HA   GLN  36           HA       GLN  36   6.846   0.968 -12.718
  277   1HB   GLN  36          2HB       GLN  36   6.661  -0.508 -10.111
  278   2HB   GLN  36          1HB       GLN  36   6.343  -1.406 -11.555
  279   1HG   GLN  36          2HG       GLN  36   8.711  -1.529 -10.911
  280   2HG   GLN  36          1HG       GLN  36   8.435  -0.966 -12.551
  281   1HE2  GLN  36          2HE2      GLN  36  10.750   1.255 -10.240
  282   2HE2  GLN  36          1HE2      GLN  36  10.425  -0.380 -10.044
  283    H    PHE  37           H        PHE  37   4.168   0.793 -10.543
  284    HA   PHE  37           HA       PHE  37   2.472  -0.819 -12.195
  285   1HB   PHE  37          2HB       PHE  37   2.054   0.362  -9.449
  286   2HB   PHE  37          1HB       PHE  37   0.962  -0.740 -10.195
  287    HD1  PHE  37           HD1      PHE  37   1.819  -3.114 -10.846
  288    HD2  PHE  37           HD2      PHE  37   4.290  -0.312  -8.841
  289    HE1  PHE  37           HE1      PHE  37   3.460  -4.934 -10.340
  290    HE2  PHE  37           HE2      PHE  37   5.944  -2.159  -8.329
  291    HZ   PHE  37           HZ       PHE  37   5.529  -4.450  -9.081
  292    HA   PRO  38           HA       PRO  38   0.508   2.473 -14.487
  293   1HB   PRO  38          2HB       PRO  38  -1.813   0.721 -14.533
  294   2HB   PRO  38          1HB       PRO  38  -0.789   1.329 -15.858
  295   1HG   PRO  38          2HG       PRO  38  -0.827  -1.303 -15.032
  296   2HG   PRO  38          1HG       PRO  38   0.552  -0.556 -15.921
  297   1HD   PRO  38          2HD       PRO  38   0.384  -1.223 -13.033
  298   2HD   PRO  38          1HD       PRO  38   1.781  -0.837 -14.067
  299    H    GLY  39           H        GLY  39  -0.774   1.119 -11.524
  300   1HA   GLY  39          2HA       GLY  39  -2.980   3.091 -11.455
  301   2HA   GLY  39          1HA       GLY  39  -2.816   1.704 -10.361
  302    H    PHE  40           H        PHE  40   0.139   3.231 -10.801
  303    HA   PHE  40           HA       PHE  40   0.709   3.841  -8.168
  304   1HB   PHE  40          2HB       PHE  40   2.411   4.028  -9.804
  305   2HB   PHE  40          1HB       PHE  40   1.511   5.227 -10.725
  306    HD1  PHE  40           HD2      PHE  40   2.063   5.045  -7.010
  307    HD2  PHE  40           HD1      PHE  40   2.749   7.177 -10.693
  308    HE1  PHE  40           HE2      PHE  40   3.057   6.957  -5.735
  309    HE2  PHE  40           HE1      PHE  40   3.729   9.065  -9.446
  310    HZ   PHE  40           HZ       PHE  40   3.865   8.918  -6.969
  311    H    LYS  41           H        LYS  41  -0.847   4.900  -6.978
  312    HA   LYS  41           HA       LYS  41  -1.626   7.646  -7.967
  313   1HB   LYS  41          2HB       LYS  41  -3.383   5.679  -7.519
  314   2HB   LYS  41          1HB       LYS  41  -3.377   6.544  -5.955
  315   1HG   LYS  41          2HG       LYS  41  -3.511   8.218  -8.406
  316   2HG   LYS  41          1HG       LYS  41  -4.965   7.319  -7.985
  317   1HD   LYS  41          2HD       LYS  41  -5.178   8.461  -5.944
  318   2HD   LYS  41          1HD       LYS  41  -3.454   8.681  -5.836
  319   1HE   LYS  41          2HE       LYS  41  -3.968  10.853  -6.409
  320   2HE   LYS  41          1HE       LYS  41  -3.909  10.171  -8.050
  321   1HZ   LYS  41          2HZ       LYS  41  -6.360   9.635  -7.425
  322   2HZ   LYS  41          1HZ       LYS  41  -6.157  11.007  -6.415
  323   3HZ   LYS  41          3HZ       LYS  41  -5.878  11.146  -8.099
  324    H    GLU  42           H        GLU  42  -1.376   6.013  -4.719
  325    HA   GLU  42           HA       GLU  42  -0.236   8.558  -3.747
  326   1HB   GLU  42          2HB       GLU  42  -2.817   8.041  -3.219
  327   2HB   GLU  42          1HB       GLU  42  -2.054   7.232  -1.829
  328   1HG   GLU  42          2HG       GLU  42  -0.848   9.310  -1.282
  329   2HG   GLU  42          1HG       GLU  42  -1.591  10.120  -2.637
  330    H    VAL  43           H        VAL  43   1.106   8.393  -2.119
  331    HA   VAL  43           HA       VAL  43   1.976   5.817  -1.077
  332    HB   VAL  43           HB       VAL  43   4.399   6.426  -1.607
  333   1HG1  VAL  43          3HG1      VAL  43   2.444   5.738  -3.807
  334   2HG1  VAL  43          2HG1      VAL  43   4.187   5.454  -3.833
  335   3HG1  VAL  43          1HG1      VAL  43   3.166   4.607  -2.656
  336   1HG2  VAL  43          2HG2      VAL  43   3.497   8.804  -2.445
  337   2HG2  VAL  43          1HG2      VAL  43   4.890   8.059  -3.167
  338   3HG2  VAL  43          3HG2      VAL  43   3.306   7.953  -3.963
  339    H    ARG  44           H        ARG  44   2.192   6.076   0.981
  340    HA   ARG  44           HA       ARG  44   2.686   8.710   2.239
  341   1HB   ARG  44          2HB       ARG  44   0.373   7.624   2.533
  342   2HB   ARG  44          1HB       ARG  44   1.230   6.397   3.517
  343   1HG   ARG  44          2HG       ARG  44   1.044   7.796   5.256
  344   2HG   ARG  44          1HG       ARG  44   2.291   8.727   4.417
  345   1HD   ARG  44          2HD       ARG  44  -0.648   9.260   4.467
  346   2HD   ARG  44          1HD       ARG  44   0.676  10.395   4.747
  347    HE   ARG  44           HE       ARG  44   0.890   9.394   2.090
  348   1HH1  ARG  44          2HH2      ARG  44   0.269  12.118   3.606
  349   2HH1  ARG  44          1HH2      ARG  44  -1.050  12.711   2.603
  350   1HH2  ARG  44          2HH1      ARG  44  -1.421   9.620   0.980
  351   2HH2  ARG  44          1HH1      ARG  44  -1.998  11.243   1.094
  352    H    LEU  45           H        LEU  45   4.823   8.460   2.458
  353    HA   LEU  45           HA       LEU  45   5.726   6.567   4.455
  354   1HB   LEU  45          2HB       LEU  45   7.206   7.087   1.848
  355   2HB   LEU  45          1HB       LEU  45   7.663   5.886   3.050
  356    HG   LEU  45           HG       LEU  45   5.007   5.854   1.484
  357   1HD1  LEU  45          1HD1      LEU  45   7.719   4.679   0.847
  358   2HD1  LEU  45          3HD1      LEU  45   6.230   4.006   0.231
  359   3HD1  LEU  45          2HD1      LEU  45   6.702   5.686  -0.140
  360   1HD2  LEU  45          2HD2      LEU  45   5.404   4.628   3.750
  361   2HD2  LEU  45          1HD2      LEU  45   4.847   3.597   2.405
  362   3HD2  LEU  45          3HD2      LEU  45   6.538   3.602   2.898
  363    H    VAL  46           H        VAL  46   5.907   8.446   5.826
  364    HA   VAL  46           HA       VAL  46   7.188  10.871   5.005
  365    HB   VAL  46           HB       VAL  46   6.444  10.478   7.825
  366   1HG1  VAL  46          2HG1      VAL  46   7.170  12.686   6.942
  367   2HG1  VAL  46          1HG1      VAL  46   5.755  12.707   5.883
  368   3HG1  VAL  46          3HG1      VAL  46   5.531  12.719   7.607
  369   1HG2  VAL  46          3HG2      VAL  46   4.513  10.353   5.509
  370   2HG2  VAL  46          2HG2      VAL  46   4.597   9.358   6.944
  371   3HG2  VAL  46          1HG2      VAL  46   4.015  11.030   7.076
  372    HA   PRO  47           HA       PRO  47  11.196   9.109   5.842
  373   1HB   PRO  47          2HB       PRO  47  11.741  12.025   5.572
  374   2HB   PRO  47          1HB       PRO  47  12.720  10.641   4.976
  375   1HG   PRO  47          2HG       PRO  47  11.055  11.764   3.176
  376   2HG   PRO  47          1HG       PRO  47  10.974   9.994   3.392
  377   1HD   PRO  47          2HD       PRO  47   9.132  12.054   4.708
  378   2HD   PRO  47          1HD       PRO  47   8.755  10.633   3.769
  379    H    GLY  48           H        GLY  48   9.832  11.814   7.834
  380   1HA   GLY  48          2HA       GLY  48  11.980  11.596   9.779
  381   2HA   GLY  48          1HA       GLY  48  10.353  12.222  10.157
  382    H    ARG  49           H        ARG  49   9.422   9.678   8.815
  383    HA   ARG  49           HA       ARG  49   9.618   7.734  11.096
  384   1HB   ARG  49          2HB       ARG  49   7.313   7.955   9.188
  385   2HB   ARG  49          1HB       ARG  49   7.444   7.049  10.661
  386   1HG   ARG  49          2HG       ARG  49   6.922   8.982  11.924
  387   2HG   ARG  49          1HG       ARG  49   7.865   9.993  10.799
  388   1HD   ARG  49          2HD       ARG  49   5.824   9.171   9.195
  389   2HD   ARG  49          1HD       ARG  49   4.999   9.119  10.731
  390    HE   ARG  49           HE       ARG  49   6.436  11.569   9.659
  391   1HH1  ARG  49          1HH2      ARG  49   5.915  12.866  11.770
  392   2HH1  ARG  49          2HH2      ARG  49   4.231  13.072  11.960
  393   1HH2  ARG  49          2HH1      ARG  49   3.355  10.573   9.725
  394   2HH2  ARG  49          1HH1      ARG  49   2.730  11.769  10.804
  395    H    HIS  50           H        HIS  50   8.507   7.542   7.761
  396    HA   HIS  50           HA       HIS  50   8.856   6.058   6.025
  397   1HB   HIS  50          2HB       HIS  50  10.944   4.410   7.355
  398   2HB   HIS  50          1HB       HIS  50  10.877   4.929   5.707
  399    HD1  HIS  50           HD1      HIS  50  11.977   6.993   4.942
  400    HD2  HIS  50           HD2      HIS  50  12.634   6.450   8.991
  401    HE1  HIS  50           HE1      HIS  50  13.793   8.561   5.569
  402    HE2  HIS  50           HE2      HIS  50  14.248   8.272   8.049
  403    H    ASP  51           H        ASP  51   7.795   5.763   8.910
  404    HA   ASP  51           HA       ASP  51   7.796   2.891   9.402
  405   1HB   ASP  51          2HB       ASP  51   6.629   5.131  11.066
  406   2HB   ASP  51          1HB       ASP  51   6.953   3.456  11.567
  407    H    ILE  52           H        ILE  52   5.514   5.029   8.018
  408    HA   ILE  52           HA       ILE  52   3.390   3.012   8.379
  409    HB   ILE  52           HB       ILE  52   1.652   4.462   8.535
  410   1HG1  ILE  52          2HG1      ILE  52   2.515   6.363   7.154
  411   2HG1  ILE  52          1HG1      ILE  52   1.681   6.817   8.618
  412   1HG2  ILE  52          1HG2      ILE  52   3.514   3.927  10.429
  413   2HG2  ILE  52          3HG2      ILE  52   3.552   5.653  10.574
  414   3HG2  ILE  52          2HG2      ILE  52   2.021   4.738  10.783
  415   1HD1  ILE  52          1HD1      ILE  52   4.713   6.708   8.348
  416   2HD1  ILE  52          3HD1      ILE  52   3.696   8.150   8.202
  417   3HD1  ILE  52          2HD1      ILE  52   3.782   7.351   9.739
  418    H    ALA  53           H        ALA  53   2.858   2.259   6.438
  419    HA   ALA  53           HA       ALA  53   3.712   3.773   4.067
  420   1HB   ALA  53          1HB       ALA  53   4.730   1.548   5.121
  421   2HB   ALA  53          3HB       ALA  53   3.423   0.747   4.334
  422   3HB   ALA  53          2HB       ALA  53   4.664   1.653   3.410
  423    H    PHE  54           H        PHE  54   1.968   4.662   3.177
  424    HA   PHE  54           HA       PHE  54  -0.490   3.140   2.878
  425   1HB   PHE  54          2HB       PHE  54  -0.372   5.490   4.222
  426   2HB   PHE  54          1HB       PHE  54  -0.651   6.023   2.555
  427    HD1  PHE  54           HD2      PHE  54  -2.561   4.340   1.346
  428    HD2  PHE  54           HD1      PHE  54  -2.305   5.489   5.498
  429    HE1  PHE  54           HE2      PHE  54  -4.952   3.948   1.626
  430    HE2  PHE  54           HE1      PHE  54  -4.754   5.070   5.739
  431    HZ   PHE  54           HZ       PHE  54  -6.082   4.304   3.803
  432    H    VAL  55           H        VAL  55  -0.594   2.260   1.024
  433    HA   VAL  55           HA       VAL  55   0.289   3.677  -1.473
  434    HB   VAL  55           HB       VAL  55  -0.064   0.751  -0.829
  435   1HG1  VAL  55          1HG1      VAL  55  -0.029   1.329  -3.252
  436   2HG1  VAL  55          3HG1      VAL  55   1.483   2.182  -3.036
  437   3HG1  VAL  55          2HG1      VAL  55   1.434   0.415  -2.794
  438   1HG2  VAL  55          1HG2      VAL  55   2.373   2.475  -0.582
  439   2HG2  VAL  55          3HG2      VAL  55   1.513   1.625   0.686
  440   3HG2  VAL  55          2HG2      VAL  55   2.400   0.690  -0.546
  441    H    GLU  56           H        GLU  56  -1.362   4.549  -2.268
  442    HA   GLU  56           HA       GLU  56  -3.920   3.227  -2.692
  443   1HB   GLU  56          2HB       GLU  56  -3.910   5.560  -1.763
  444   2HB   GLU  56          1HB       GLU  56  -3.169   6.058  -3.316
  445   1HG   GLU  56          2HG       GLU  56  -5.211   5.156  -4.502
  446   2HG   GLU  56          1HG       GLU  56  -5.957   4.914  -2.960
  447    H    PHE  57           H        PHE  57  -3.804   1.954  -4.353
  448    HA   PHE  57           HA       PHE  57  -2.437   2.654  -6.863
  449   1HB   PHE  57          2HB       PHE  57  -2.975   0.171  -5.283
  450   2HB   PHE  57          1HB       PHE  57  -3.092  -0.005  -6.994
  451    HD1  PHE  57           HD2      PHE  57  -1.295   1.556  -8.290
  452    HD2  PHE  57           HD1      PHE  57  -0.735  -0.252  -4.421
  453    HE1  PHE  57           HE2      PHE  57   1.111   1.659  -8.571
  454    HE2  PHE  57           HE1      PHE  57   1.679  -0.150  -4.701
  455    HZ   PHE  57           HZ       PHE  57   2.627   0.808  -6.791
  456    H    ASP  58           H        ASP  58  -3.767   3.603  -8.174
  457    HA   ASP  58           HA       ASP  58  -6.261   4.111  -8.529
  458   1HB   ASP  58          2HB       ASP  58  -4.584   4.413 -10.355
  459   2HB   ASP  58          1HB       ASP  58  -4.764   2.725 -10.814
  460    H    ASN  59           H        ASN  59  -5.135   0.879  -9.543
  461    HA   ASN  59           HA       ASN  59  -7.822  -0.188  -8.936
  462   1HB   ASN  59          2HB       ASN  59  -8.158  -0.448 -11.223
  463   2HB   ASN  59          1HB       ASN  59  -6.518   0.115 -11.561
  464   1HD2  ASN  59          1HD2      ASN  59  -7.325  -3.826 -11.860
  465   2HD2  ASN  59          2HD2      ASN  59  -8.578  -2.691 -11.593
  466    H    GLU  60           H        GLU  60  -7.853  -2.191  -8.190
  467    HA   GLU  60           HA       GLU  60  -5.672  -3.059  -6.640
  468   1HB   GLU  60          2HB       GLU  60  -7.060  -4.881  -5.914
  469   2HB   GLU  60          1HB       GLU  60  -7.929  -3.388  -5.996
  470   1HG   GLU  60          2HG       GLU  60  -9.313  -4.057  -7.683
  471   2HG   GLU  60          1HG       GLU  60  -8.075  -5.020  -8.497
  472    H    VAL  61           H        VAL  61  -6.221  -3.911 -10.013
  473    HA   VAL  61           HA       VAL  61  -4.762  -6.440  -9.900
  474    HB   VAL  61           HB       VAL  61  -5.352  -4.558 -12.200
  475   1HG1  VAL  61          2HG1      VAL  61  -3.748  -7.075 -11.926
  476   2HG1  VAL  61          1HG1      VAL  61  -4.657  -6.848 -13.411
  477   3HG1  VAL  61          3HG1      VAL  61  -3.437  -5.645 -12.958
  478   1HG2  VAL  61          1HG2      VAL  61  -7.272  -5.917 -11.209
  479   2HG2  VAL  61          3HG2      VAL  61  -6.823  -6.345 -12.865
  480   3HG2  VAL  61          2HG2      VAL  61  -6.340  -7.361 -11.489
  481    H    GLN  62           H        GLN  62  -4.164  -3.090 -10.515
  482    HA   GLN  62           HA       GLN  62  -1.236  -3.413 -10.656
  483   1HB   GLN  62          2HB       GLN  62  -2.274  -0.638 -10.286
  484   2HB   GLN  62          1HB       GLN  62  -0.949  -1.238 -11.210
  485   1HG   GLN  62          2HG       GLN  62  -2.088  -1.269 -13.065
  486   2HG   GLN  62          1HG       GLN  62  -3.309  -2.294 -12.360
  487   1HE2  GLN  62          2HE2      GLN  62  -4.650   1.333 -13.046
  488   2HE2  GLN  62          1HE2      GLN  62  -3.635   0.404 -14.060
  489    H    ALA  63           H        ALA  63  -3.545  -2.575  -8.134
  490    HA   ALA  63           HA       ALA  63  -1.575  -1.619  -6.257
  491   1HB   ALA  63          2HB       ALA  63  -4.290  -1.441  -6.155
  492   2HB   ALA  63          1HB       ALA  63  -4.116  -3.069  -5.532
  493   3HB   ALA  63          3HB       ALA  63  -3.408  -1.756  -4.629
  494    H    GLY  64           H        GLY  64  -3.230  -4.544  -7.065
  495   1HA   GLY  64          2HA       GLY  64  -2.072  -6.300  -5.210
  496   2HA   GLY  64          1HA       GLY  64  -2.843  -6.725  -6.785
  497    H    ALA  65           H        ALA  65  -1.190  -5.175  -8.477
  498    HA   ALA  65           HA       ALA  65   0.865  -7.016  -9.064
  499   1HB   ALA  65          3HB       ALA  65   0.554  -4.090  -9.795
  500   2HB   ALA  65          2HB       ALA  65   1.603  -5.200 -10.684
  501   3HB   ALA  65          1HB       ALA  65  -0.144  -5.382 -10.758
  502    H    ALA  66           H        ALA  66   1.113  -3.631  -7.959
  503    HA   ALA  66           HA       ALA  66   3.882  -3.553  -7.169
  504   1HB   ALA  66          3HB       ALA  66   1.373  -2.037  -6.796
  505   2HB   ALA  66          2HB       ALA  66   2.459  -1.944  -5.405
  506   3HB   ALA  66          1HB       ALA  66   2.963  -1.381  -7.025
  507    H    ARG  67           H        ARG  67   1.015  -4.136  -5.218
  508    HA   ARG  67           HA       ARG  67   2.267  -4.563  -2.764
  509   1HB   ARG  67          2HB       ARG  67  -0.232  -4.326  -3.133
  510   2HB   ARG  67          1HB       ARG  67  -0.274  -6.015  -3.572
  511   1HG   ARG  67          2HG       ARG  67   1.116  -5.081  -1.054
  512   2HG   ARG  67          1HG       ARG  67  -0.625  -5.283  -1.093
  513   1HD   ARG  67          2HD       ARG  67   0.572  -7.634  -2.286
  514   2HD   ARG  67          1HD       ARG  67   1.380  -7.312  -0.745
  515    HE   ARG  67           HE       ARG  67  -1.413  -8.156  -1.125
  516   1HH1  ARG  67          2HH1      ARG  67  -1.685  -5.990   0.771
  517   2HH1  ARG  67          1HH1      ARG  67  -1.329  -6.713   2.322
  518   1HH2  ARG  67          1HH2      ARG  67   0.219  -9.450   0.937
  519   2HH2  ARG  67          2HH2      ARG  67  -0.274  -8.627   2.400
  520    H    ASP  68           H        ASP  68   1.098  -7.050  -5.034
  521    HA   ASP  68           HA       ASP  68   2.314  -9.300  -3.764
  522   1HB   ASP  68          2HB       ASP  68   0.519  -9.634  -5.401
  523   2HB   ASP  68          1HB       ASP  68   1.552  -8.988  -6.694
  524    H    ALA  69           H        ALA  69   3.652  -7.059  -6.221
  525    HA   ALA  69           HA       ALA  69   5.933  -8.784  -6.766
  526   1HB   ALA  69          1HB       ALA  69   5.537  -5.846  -7.250
  527   2HB   ALA  69          3HB       ALA  69   6.896  -6.804  -7.862
  528   3HB   ALA  69          2HB       ALA  69   5.235  -7.158  -8.416
  529    H    LEU  70           H        LEU  70   5.263  -6.132  -4.519
  530    HA   LEU  70           HA       LEU  70   8.025  -6.514  -3.367
  531   1HB   LEU  70          2HB       LEU  70   8.040  -4.261  -3.475
  532   2HB   LEU  70          1HB       LEU  70   6.372  -4.225  -4.017
  533    HG   LEU  70           HG       LEU  70   5.852  -4.564  -1.424
  534   1HD1  LEU  70          3HD1      LEU  70   8.464  -4.632  -1.129
  535   2HD1  LEU  70          2HD1      LEU  70   8.396  -2.909  -1.442
  536   3HD1  LEU  70          1HD1      LEU  70   7.553  -3.573  -0.031
  537   1HD2  LEU  70          2HD2      LEU  70   6.721  -1.961  -2.636
  538   2HD2  LEU  70          1HD2      LEU  70   5.122  -2.747  -2.793
  539   3HD2  LEU  70          3HD2      LEU  70   5.715  -2.199  -1.223
  540    H    GLN  71           H        GLN  71   5.129  -7.744  -3.070
  541    HA   GLN  71           HA       GLN  71   4.324  -7.622  -0.346
  542   1HB   GLN  71          2HB       GLN  71   2.729  -8.703  -1.778
  543   2HB   GLN  71          1HB       GLN  71   3.971  -9.720  -2.480
  544   1HG   GLN  71          2HG       GLN  71   3.958 -11.129  -0.554
  545   2HG   GLN  71          1HG       GLN  71   3.403  -9.828   0.451
  546   1HE2  GLN  71          2HE2      GLN  71   0.604 -12.260  -0.471
  547   2HE2  GLN  71          1HE2      GLN  71   2.154 -12.571   0.112
  548    H    GLY  72           H        GLY  72   5.920  -7.934   1.196
  549   1HA   GLY  72          2HA       GLY  72   6.828  -9.682   2.548
  550   2HA   GLY  72          1HA       GLY  72   7.262 -10.608   1.113
  551    H    PHE  73           H        PHE  73   7.592  -7.118   1.530
  552    HA   PHE  73           HA       PHE  73  10.317  -6.976   0.666
  553   1HB   PHE  73          2HB       PHE  73   8.363  -5.218   0.718
  554   2HB   PHE  73          1HB       PHE  73   8.942  -4.842   2.328
  555    HD1  PHE  73           HD1      PHE  73  11.869  -5.898   0.971
  556    HD2  PHE  73           HD2      PHE  73   9.131  -2.614   0.617
  557    HE1  PHE  73           HE1      PHE  73  13.659  -4.481   0.152
  558    HE2  PHE  73           HE2      PHE  73  10.941  -1.169  -0.221
  559    HZ   PHE  73           HZ       PHE  73  13.242  -2.114  -0.454
  560    H    LYS  74           H        LYS  74  10.643  -8.779   2.424
  561    HA   LYS  74           HA       LYS  74  10.717  -8.245   5.211
  562   1HB   LYS  74          2HB       LYS  74  12.538 -10.096   5.168
  563   2HB   LYS  74          1HB       LYS  74  10.882 -10.508   4.862
  564   1HG   LYS  74          2HG       LYS  74  11.355 -11.065   2.647
  565   2HG   LYS  74          1HG       LYS  74  12.397  -9.624   2.485
  566   1HD   LYS  74          2HD       LYS  74  14.295 -10.813   2.823
  567   2HD   LYS  74          1HD       LYS  74  13.577 -11.623   4.202
  568   1HE   LYS  74          2HE       LYS  74  13.567 -13.467   2.900
  569   2HE   LYS  74          1HE       LYS  74  12.294 -12.666   1.928
  570   1HZ   LYS  74          2HZ       LYS  74  14.442 -11.517   0.916
  571   2HZ   LYS  74          1HZ       LYS  74  15.197 -12.928   1.501
  572   3HZ   LYS  74          3HZ       LYS  74  13.967 -13.068   0.360
  573    H    ILE  75           H        ILE  75  11.621  -6.129   5.159
  574    HA   ILE  75           HA       ILE  75  14.133  -5.245   4.561
  575    HB   ILE  75           HB       ILE  75  12.649  -4.844   7.191
  576   1HG1  ILE  75          2HG1      ILE  75  12.157  -2.645   5.378
  577   2HG1  ILE  75          1HG1      ILE  75  11.788  -4.136   4.540
  578   1HG2  ILE  75          2HG2      ILE  75  15.035  -3.759   6.091
  579   2HG2  ILE  75          1HG2      ILE  75  13.905  -2.427   6.239
  580   3HG2  ILE  75          3HG2      ILE  75  14.256  -3.418   7.670
  581   1HD1  ILE  75          3HD1      ILE  75  10.776  -4.319   7.188
  582   2HD1  ILE  75          2HD1      ILE  75  10.229  -2.778   6.503
  583   3HD1  ILE  75          1HD1      ILE  75   9.842  -4.285   5.710
  584    H    THR  76           H        THR  76  13.071  -7.440   7.007
  585    HA   THR  76           HA       THR  76  15.892  -8.279   7.367
  586    HB   THR  76           HB       THR  76  14.065  -7.610   9.712
  587    HG1  THR  76          1HG       THR  76  15.921  -6.170   8.297
  588   1HG2  THR  76          2HG2      THR  76  16.316  -9.345   9.510
  589   2HG2  THR  76          1HG2      THR  76  16.817  -7.927  10.451
  590   3HG2  THR  76          3HG2      THR  76  15.410  -8.869  10.954
  591    H    GLN  77           H        GLN  77  12.707  -8.979   8.532
  592    HA   GLN  77           HA       GLN  77  12.090 -11.438   7.514
  593   1HB   GLN  77          2HB       GLN  77  14.362 -11.812   9.349
  594   2HB   GLN  77          1HB       GLN  77  12.895 -12.501  10.040
  595   1HG   GLN  77          2HG       GLN  77  12.421 -13.566   7.842
  596   2HG   GLN  77          1HG       GLN  77  14.121 -13.230   7.433
  597   1HE2  GLN  77          2HE2      GLN  77  13.326 -15.840  10.584
  598   2HE2  GLN  77          1HE2      GLN  77  12.265 -14.546  10.257
  599    H    ASN  78           H        ASN  78  12.465  -9.666  10.453
  600    HA   ASN  78           HA       ASN  78   9.718 -10.259  11.267
  601   1HB   ASN  78          2HB       ASN  78  10.797  -8.458  13.120
  602   2HB   ASN  78          1HB       ASN  78  10.660 -10.229  13.346
  603   1HD2  ASN  78          2HD2      ASN  78  14.278  -8.392  12.859
  604   2HD2  ASN  78          1HD2      ASN  78  12.807  -7.556  12.832
  605    H    ASN  79           H        ASN  79  12.034  -7.735  10.532
  606    HA   ASN  79           HA       ASN  79  10.126  -5.552  10.201
  607   1HB   ASN  79          2HB       ASN  79  12.934  -5.851   9.174
  608   2HB   ASN  79          1HB       ASN  79  12.011  -4.341   9.295
  609   1HD2  ASN  79          2HD2      ASN  79  12.012  -4.853  13.050
  610   2HD2  ASN  79          1HD2      ASN  79  10.739  -4.875  11.898
  611    H    ALA  80           H        ALA  80   8.830  -5.387   8.154
  612    HA   ALA  80           HA       ALA  80   9.853  -6.563   5.707
  613   1HB   ALA  80          2HB       ALA  80   9.429  -8.632   7.161
  614   2HB   ALA  80          1HB       ALA  80   7.702  -8.240   6.921
  615   3HB   ALA  80          3HB       ALA  80   8.783  -8.567   5.539
  616    H    MET  81           H        MET  81   8.693  -5.317   4.355
  617    HA   MET  81           HA       MET  81   6.746  -3.577   4.678
  618   1HB   MET  81          2HB       MET  81   7.326  -3.868   2.515
  619   2HB   MET  81          1HB       MET  81   6.707  -5.550   2.435
  620   1HG   MET  81          2HG       MET  81   4.458  -4.055   3.107
  621   2HG   MET  81          1HG       MET  81   5.410  -2.931   2.150
  622   1HE   MET  81          1HE       MET  81   3.332  -5.801   2.669
  623   2HE   MET  81          3HE       MET  81   2.778  -6.298   1.056
  624   3HE   MET  81          2HE       MET  81   4.224  -7.052   1.771
  625    H    LYS  82           H        LYS  82   4.934  -3.754   6.198
  626    HA   LYS  82           HA       LYS  82   2.963  -5.923   5.676
  627   1HB   LYS  82          2HB       LYS  82   3.266  -4.296   8.217
  628   2HB   LYS  82          1HB       LYS  82   2.319  -5.747   8.031
  629   1HG   LYS  82          2HG       LYS  82   4.623  -6.904   7.645
  630   2HG   LYS  82          1HG       LYS  82   5.325  -5.422   8.352
  631   1HD   LYS  82          2HD       LYS  82   3.277  -7.228   9.631
  632   2HD   LYS  82          1HD       LYS  82   4.910  -6.963  10.194
  633   1HE   LYS  82          2HE       LYS  82   4.279  -4.463  10.410
  634   2HE   LYS  82          1HE       LYS  82   2.661  -4.928   9.975
  635   1HZ   LYS  82          1HZ       LYS  82   2.700  -6.459  11.875
  636   2HZ   LYS  82          3HZ       LYS  82   4.214  -5.848  12.311
  637   3HZ   LYS  82          2HZ       LYS  82   2.854  -4.809  12.360
  638    H    ILE  83           H        ILE  83   1.667  -5.115   4.389
  639    HA   ILE  83           HA       ILE  83   0.424  -2.404   4.507
  640    HB   ILE  83           HB       ILE  83   1.467  -4.100   2.235
  641   1HG1  ILE  83          2HG1      ILE  83   1.880  -1.209   2.946
  642   2HG1  ILE  83          1HG1      ILE  83   3.019  -2.469   3.335
  643   1HG2  ILE  83          3HG2      ILE  83  -0.768  -2.168   2.353
  644   2HG2  ILE  83          2HG2      ILE  83   0.437  -1.841   1.070
  645   3HG2  ILE  83          1HG2      ILE  83  -0.394  -3.401   1.124
  646   1HD1  ILE  83          3HD1      ILE  83   2.699  -3.011   0.730
  647   2HD1  ILE  83          2HD1      ILE  83   2.330  -1.296   0.676
  648   3HD1  ILE  83          1HD1      ILE  83   3.904  -1.864   1.255
  649    H    SER  84           H        SER  84  -1.649  -2.564   4.772
  650    HA   SER  84           HA       SER  84  -3.133  -5.066   4.594
  651   1HB   SER  84          2HB       SER  84  -3.370  -4.624   6.795
  652   2HB   SER  84          1HB       SER  84  -3.136  -2.893   6.640
  653    HG   SER  84           HG       SER  84  -5.203  -3.093   7.033
  654    H    PHE  85           H        PHE  85  -4.202  -4.941   2.696
  655    HA   PHE  85           HA       PHE  85  -4.851  -2.828   1.068
  656   1HB   PHE  85          2HB       PHE  85  -6.967  -4.600   0.679
  657   2HB   PHE  85          1HB       PHE  85  -5.411  -4.459  -0.154
  658    HD1  PHE  85           HD2      PHE  85  -6.869  -5.892   2.924
  659    HD2  PHE  85           HD1      PHE  85  -4.114  -6.276  -0.350
  660    HE1  PHE  85           HE2      PHE  85  -6.268  -8.187   3.723
  661    HE2  PHE  85           HE1      PHE  85  -3.518  -8.558   0.430
  662    HZ   PHE  85           HZ       PHE  85  -4.571  -9.540   2.442
  663    H    ALA  86           H        ALA  86  -6.050  -2.402   4.133
  664    HA   ALA  86           HA       ALA  86  -7.715  -1.189   4.845
  665   1HB   ALA  86          2HB       ALA  86  -7.069  -0.105   2.614
  666   2HB   ALA  86          1HB       ALA  86  -8.671  -0.608   2.084
  667   3HB   ALA  86          3HB       ALA  86  -8.504   0.503   3.452
  668    H    LYS  87           H        LYS  87  -8.292  -3.919   4.814
  669    HA   LYS  87           HA       LYS  87 -10.816  -4.379   3.369
  670   1HB   LYS  87          2HB       LYS  87 -10.713  -6.542   4.079
  671   2HB   LYS  87          1HB       LYS  87  -9.023  -6.135   4.189
  672   1HG   LYS  87          2HG       LYS  87  -9.310  -5.429   6.560
  673   2HG   LYS  87          1HG       LYS  87 -10.999  -5.989   6.481
  674   1HD   LYS  87          2HD       LYS  87  -9.875  -8.191   5.524
  675   2HD   LYS  87          1HD       LYS  87  -8.521  -7.688   6.492
  676   1HE   LYS  87          2HE       LYS  87 -10.584  -7.164   8.209
  677   2HE   LYS  87          1HE       LYS  87 -11.202  -8.586   7.321
  678   1HZ   LYS  87          2HZ       LYS  87  -8.422  -8.621   8.231
  679   2HZ   LYS  87          1HZ       LYS  87  -9.652  -8.837   9.421
  680   3HZ   LYS  87          3HZ       LYS  87  -9.536  -9.886   8.098
  681    H    LYS  88           H        LYS  88 -12.790  -4.082   4.092
  682    HA   LYS  88           HA       LYS  88 -13.297  -3.235   6.921
  683   1HB   LYS  88          2HB       LYS  88 -14.972  -1.909   4.908
  684   2HB   LYS  88          1HB       LYS  88 -14.049  -1.240   6.274
  685   1HG   LYS  88          2HG       LYS  88 -11.958  -1.533   4.921
  686   2HG   LYS  88          1HG       LYS  88 -12.993  -1.787   3.506
  687   1HD   LYS  88          2HD       LYS  88 -14.013   0.494   4.887
  688   2HD   LYS  88          1HD       LYS  88 -12.259   0.683   4.679
  689   1HE   LYS  88          2HE       LYS  88 -13.310  -0.350   2.241
  690   2HE   LYS  88          1HE       LYS  88 -14.332   0.967   2.742
  691   1HZ   LYS  88          3HZ       LYS  88 -11.437   1.325   2.905
  692   2HZ   LYS  88          2HZ       LYS  88 -12.161   1.313   1.376
  693   3HZ   LYS  88          1HZ       LYS  88 -12.646   2.470   2.506
   
  No H/Q in entry =         693
  Start of MODEL    5
    1   1H    MET   1          2H        MET   1 -25.152  -5.045  11.028
    2   2H    MET   1          1H        MET   1 -26.858  -4.891  10.833
    3   3H    MET   1          3H        MET   1 -26.182  -6.086  11.848
    4    HA   MET   1           HA       MET   1 -25.690  -7.479  10.199
    5   1HB   MET   1          2HB       MET   1 -27.923  -5.707   9.483
    6   2HB   MET   1          1HB       MET   1 -27.334  -6.726   8.172
    7   1HG   MET   1          2HG       MET   1 -27.994  -8.695   9.228
    8   2HG   MET   1          1HG       MET   1 -27.790  -8.016  10.811
    9   1HE   MET   1          1HE       MET   1 -30.119  -9.696   9.336
   10   2HE   MET   1          3HE       MET   1 -30.256  -9.387  11.060
   11   3HE   MET   1          2HE       MET   1 -31.619  -9.029  10.030
   12    H    ALA   2           H        ALA   2 -26.169  -4.405   8.535
   13    HA   ALA   2           HA       ALA   2 -23.584  -4.786   7.031
   14   1HB   ALA   2          2HB       ALA   2 -26.295  -4.235   6.027
   15   2HB   ALA   2          1HB       ALA   2 -24.982  -3.346   5.267
   16   3HB   ALA   2          3HB       ALA   2 -24.971  -5.094   5.207
   17    HA   PRO   3           HA       PRO   3 -23.371  -0.703   9.038
   18   1HB   PRO   3          2HB       PRO   3 -20.774  -0.784   9.692
   19   2HB   PRO   3          1HB       PRO   3 -21.980  -1.700  10.656
   20   1HG   PRO   3          2HG       PRO   3 -20.093  -2.711   8.523
   21   2HG   PRO   3          1HG       PRO   3 -20.573  -3.444  10.083
   22   1HD   PRO   3          2HD       PRO   3 -21.675  -4.118   7.601
   23   2HD   PRO   3          1HD       PRO   3 -22.514  -4.390   9.132
   24    H    ALA   4           H        ALA   4 -21.524   1.048   8.556
   25    HA   ALA   4           HA       ALA   4 -20.366   2.372   7.069
   26   1HB   ALA   4          1HB       ALA   4 -19.234   0.087   6.565
   27   2HB   ALA   4          3HB       ALA   4 -20.218   0.124   5.102
   28   3HB   ALA   4          2HB       ALA   4 -19.020   1.391   5.390
   29    H    GLN   5           H        GLN   5 -21.536   3.875   6.056
   30    HA   GLN   5           HA       GLN   5 -24.047   3.474   4.825
   31   1HB   GLN   5          2HB       GLN   5 -22.136   5.751   4.281
   32   2HB   GLN   5          1HB       GLN   5 -23.874   5.694   3.992
   33   1HG   GLN   5          2HG       GLN   5 -24.358   6.237   6.082
   34   2HG   GLN   5          1HG       GLN   5 -23.310   4.956   6.728
   35   1HE2  GLN   5          2HE2      GLN   5 -22.086   8.679   7.146
   36   2HE2  GLN   5          1HE2      GLN   5 -23.722   8.266   6.894
   37    HA   PRO   6           HA       PRO   6 -22.886   2.188   0.748
   38   1HB   PRO   6          2HB       PRO   6 -25.216   2.776  -0.558
   39   2HB   PRO   6          1HB       PRO   6 -25.215   1.601   0.776
   40   1HG   PRO   6          2HG       PRO   6 -26.193   4.424   0.745
   41   2HG   PRO   6          1HG       PRO   6 -26.766   3.011   1.704
   42   1HD   PRO   6          2HD       PRO   6 -25.050   5.055   2.577
   43   2HD   PRO   6          1HD       PRO   6 -25.433   3.523   3.420
   44    H    LEU   7           H        LEU   7 -21.274   3.915   0.774
   45    HA   LEU   7           HA       LEU   7 -21.925   6.131  -1.115
   46   1HB   LEU   7          2HB       LEU   7 -21.067   6.560   1.308
   47   2HB   LEU   7          1HB       LEU   7 -19.475   6.199   0.592
   48    HG   LEU   7           HG       LEU   7 -20.627   7.913  -1.260
   49   1HD1  LEU   7          3HD1      LEU   7 -21.855   8.446   1.410
   50   2HD1  LEU   7          2HD1      LEU   7 -21.311   9.828   0.509
   51   3HD1  LEU   7          1HD1      LEU   7 -22.482   8.714  -0.227
   52   1HD2  LEU   7          2HD2      LEU   7 -18.857   8.470   1.088
   53   2HD2  LEU   7          1HD2      LEU   7 -18.459   8.365  -0.629
   54   3HD2  LEU   7          3HD2      LEU   7 -19.392   9.749  -0.022
   55    H    SER   8           H        SER   8 -21.351   5.192  -3.075
   56    HA   SER   8           HA       SER   8 -20.032   4.334  -4.765
   57   1HB   SER   8          2HB       SER   8 -17.921   5.542  -3.012
   58   2HB   SER   8          1HB       SER   8 -17.550   4.781  -4.573
   59    HG   SER   8           HG       SER   8 -18.459   7.242  -4.034
   60    H    GLU   9           H        GLU   9 -20.737   2.715  -2.435
   61    HA   GLU   9           HA       GLU   9 -20.338   0.602  -1.547
   62   1HB   GLU   9          2HB       GLU   9 -18.894   0.433  -4.235
   63   2HB   GLU   9          1HB       GLU   9 -19.080  -0.958  -3.201
   64   1HG   GLU   9          2HG       GLU   9 -21.530  -0.639  -3.097
   65   2HG   GLU   9          1HG       GLU   9 -21.384   0.672  -4.265
   66    H    ASN  10           H        ASN  10 -17.126   0.175  -2.981
   67    HA   ASN  10           HA       ASN  10 -15.583   1.657  -1.221
   68   1HB   ASN  10          2HB       ASN  10 -16.843  -0.653   0.094
   69   2HB   ASN  10          1HB       ASN  10 -15.118  -0.905  -0.028
   70   1HD2  ASN  10          1HD2      ASN  10 -14.585   2.171   2.040
   71   2HD2  ASN  10          2HD2      ASN  10 -14.017   1.554   0.561
   72    HA   PRO  11           HA       PRO  11 -13.026  -2.184  -2.828
   73   1HB   PRO  11          2HB       PRO  11 -14.582  -3.668  -4.640
   74   2HB   PRO  11          1HB       PRO  11 -14.032  -4.249  -3.062
   75   1HG   PRO  11          2HG       PRO  11 -16.731  -3.200  -3.793
   76   2HG   PRO  11          1HG       PRO  11 -16.281  -4.309  -2.506
   77   1HD   PRO  11          2HD       PRO  11 -16.934  -1.742  -1.953
   78   2HD   PRO  11          1HD       PRO  11 -15.652  -2.616  -1.042
   79    HA   PRO  12           HA       PRO  12 -12.087  -3.325  -4.581
   80   1HB   PRO  12          2HB       PRO  12 -10.184  -3.039  -6.495
   81   2HB   PRO  12          1HB       PRO  12 -11.822  -3.657  -6.830
   82   1HG   PRO  12          2HG       PRO  12 -10.627  -1.073  -7.621
   83   2HG   PRO  12          1HG       PRO  12 -12.027  -1.927  -8.356
   84   1HD   PRO  12          2HD       PRO  12 -12.136   0.204  -6.397
   85   2HD   PRO  12          1HD       PRO  12 -13.497  -0.632  -7.171
   86    H    ASN  13           H        ASN  13  -9.379  -3.302  -4.739
   87    HA   ASN  13           HA       ASN  13  -8.690  -1.220  -2.716
   88   1HB   ASN  13          2HB       ASN  13  -7.048  -3.700  -3.269
   89   2HB   ASN  13          1HB       ASN  13  -6.985  -2.594  -1.915
   90   1HD2  ASN  13          1HD2      ASN  13 -10.288  -3.720  -0.753
   91   2HD2  ASN  13          2HD2      ASN  13  -9.526  -2.246  -1.123
   92    H    HIS  14           H        HIS  14  -7.902   0.487  -3.765
   93    HA   HIS  14           HA       HIS  14  -5.504   0.157  -5.496
   94   1HB   HIS  14          2HB       HIS  14  -6.202   2.397  -6.515
   95   2HB   HIS  14          1HB       HIS  14  -7.097   0.997  -7.054
   96    HD1  HIS  14           HD1      HIS  14  -9.362   0.561  -5.265
   97    HD2  HIS  14           HD2      HIS  14  -7.915   4.426  -5.936
   98    HE1  HIS  14           HE1      HIS  14 -11.206   2.208  -4.670
   99    HE2  HIS  14           HE2      HIS  14 -10.427   4.541  -5.032
  100    H    ILE  15           H        ILE  15  -6.096   0.810  -2.537
  101    HA   ILE  15           HA       ILE  15  -4.092   2.961  -2.302
  102    HB   ILE  15           HB       ILE  15  -6.888   3.447  -1.392
  103   1HG1  ILE  15          2HG1      ILE  15  -4.482   5.081  -2.282
  104   2HG1  ILE  15          1HG1      ILE  15  -5.874   4.691  -3.277
  105   1HG2  ILE  15          2HG2      ILE  15  -4.326   3.880   0.124
  106   2HG2  ILE  15          1HG2      ILE  15  -5.627   5.052   0.314
  107   3HG2  ILE  15          3HG2      ILE  15  -5.870   3.387   0.787
  108   1HD1  ILE  15          2HD1      ILE  15  -6.761   5.999  -0.861
  109   2HD1  ILE  15          1HD1      ILE  15  -5.558   6.972  -1.670
  110   3HD1  ILE  15          3HD1      ILE  15  -6.989   6.430  -2.565
  111    H    LEU  16           H        LEU  16  -2.617   1.907  -1.043
  112    HA   LEU  16           HA       LEU  16  -3.617   0.185   1.160
  113   1HB   LEU  16          2HB       LEU  16  -0.942  -0.166  -0.177
  114   2HB   LEU  16          1HB       LEU  16  -1.910  -1.396   0.650
  115    HG   LEU  16           HG       LEU  16  -3.580  -0.604  -1.435
  116   1HD1  LEU  16          3HD1      LEU  16  -0.748  -0.213  -2.114
  117   2HD1  LEU  16          2HD1      LEU  16  -1.653  -1.207  -3.258
  118   3HD1  LEU  16          1HD1      LEU  16  -2.189   0.434  -2.922
  119   1HD2  LEU  16          2HD2      LEU  16  -2.806  -2.854  -0.364
  120   2HD2  LEU  16          1HD2      LEU  16  -3.594  -2.760  -1.909
  121   3HD2  LEU  16          3HD2      LEU  16  -1.836  -2.956  -1.864
  122    H    PHE  17           H        PHE  17  -3.293   1.011   2.977
  123    HA   PHE  17           HA       PHE  17  -1.074   2.832   3.573
  124   1HB   PHE  17          2HB       PHE  17  -2.788   4.288   3.993
  125   2HB   PHE  17          1HB       PHE  17  -3.960   3.002   4.345
  126    HD1  PHE  17           HD1      PHE  17  -0.660   4.225   5.605
  127    HD2  PHE  17           HD2      PHE  17  -4.557   2.780   6.642
  128    HE1  PHE  17           HE1      PHE  17  -0.049   4.502   7.976
  129    HE2  PHE  17           HE2      PHE  17  -3.956   3.057   9.093
  130    HZ   PHE  17           HZ       PHE  17  -1.765   3.895   9.720
  131    H    LEU  18           H        LEU  18   0.176   2.157   5.048
  132    HA   LEU  18           HA       LEU  18  -0.434   1.113   7.458
  133   1HB   LEU  18          2HB       LEU  18  -0.353  -1.299   5.710
  134   2HB   LEU  18          1HB       LEU  18   0.307  -1.371   7.294
  135    HG   LEU  18           HG       LEU  18  -2.347  -1.309   6.483
  136   1HD1  LEU  18          2HD1      LEU  18  -0.833  -2.155   8.922
  137   2HD1  LEU  18          1HD1      LEU  18  -2.564  -2.329   8.814
  138   3HD1  LEU  18          3HD1      LEU  18  -1.483  -3.111   7.619
  139   1HD2  LEU  18          3HD2      LEU  18  -1.464   0.318   8.907
  140   2HD2  LEU  18          2HD2      LEU  18  -2.336   1.043   7.572
  141   3HD2  LEU  18          1HD2      LEU  18  -3.133  -0.169   8.607
  142    H    THR  19           H        THR  19   1.746  -0.438   7.889
  143    HA   THR  19           HA       THR  19   3.970   1.440   7.439
  144    HB   THR  19           HB       THR  19   4.180   1.850   9.853
  145    HG1  THR  19          1HG       THR  19   3.172   0.536  11.279
  146   1HG2  THR  19          3HG2      THR  19   1.174   1.767   9.362
  147   2HG2  THR  19          2HG2      THR  19   1.997   2.699  10.608
  148   3HG2  THR  19          1HG2      THR  19   2.182   3.177   8.910
  149    H    ASN  20           H        ASN  20   5.693   0.452   8.823
  150    HA   ASN  20           HA       ASN  20   6.549  -1.308  10.053
  151   1HB   ASN  20          2HB       ASN  20   4.604  -2.826   9.663
  152   2HB   ASN  20          1HB       ASN  20   5.398  -3.360   8.146
  153   1HD2  ASN  20          2HD2      ASN  20   6.288  -5.341  11.277
  154   2HD2  ASN  20          1HD2      ASN  20   4.810  -4.814  10.703
  155    H    LEU  21           H        LEU  21   7.570   0.495   8.488
  156    HA   LEU  21           HA       LEU  21   9.589  -0.963   6.883
  157   1HB   LEU  21          2HB       LEU  21   9.326   1.852   6.250
  158   2HB   LEU  21          1HB       LEU  21   9.220   0.480   5.188
  159    HG   LEU  21           HG       LEU  21   6.921   1.410   6.928
  160   1HD1  LEU  21          1HD1      LEU  21   7.502   3.034   5.171
  161   2HD1  LEU  21          3HD1      LEU  21   7.220   1.816   3.956
  162   3HD1  LEU  21          2HD1      LEU  21   5.894   2.375   5.004
  163   1HD2  LEU  21          2HD2      LEU  21   7.419  -0.890   5.134
  164   2HD2  LEU  21          1HD2      LEU  21   6.127  -0.668   6.340
  165   3HD2  LEU  21          3HD2      LEU  21   5.925   0.019   4.755
  166    HA   PRO  22           HA       PRO  22  11.560  -0.165  10.956
  167   1HB   PRO  22          2HB       PRO  22  13.508  -0.638   8.697
  168   2HB   PRO  22          1HB       PRO  22  13.687  -0.991  10.448
  169   1HG   PRO  22          2HG       PRO  22  12.710  -2.937   8.877
  170   2HG   PRO  22          1HG       PRO  22  12.001  -2.583  10.475
  171   1HD   PRO  22          2HD       PRO  22  10.942  -1.999   7.782
  172   2HD   PRO  22          1HD       PRO  22  10.064  -2.051   9.347
  173    H    GLU  23           H        GLU  23  13.535   1.250   8.416
  174    HA   GLU  23           HA       GLU  23  12.955   3.994   8.999
  175   1HB   GLU  23          2HB       GLU  23  14.059   3.154  11.271
  176   2HB   GLU  23          1HB       GLU  23  15.536   3.153  10.327
  177   1HG   GLU  23          2HG       GLU  23  14.114   5.593   9.872
  178   2HG   GLU  23          1HG       GLU  23  14.185   5.309  11.613
  179    H    GLU  24           H        GLU  24  15.358   1.552   8.275
  180    HA   GLU  24           HA       GLU  24  17.197   3.176   6.787
  181   1HB   GLU  24          2HB       GLU  24  17.743   0.900   5.694
  182   2HB   GLU  24          1HB       GLU  24  18.070   1.102   7.442
  183   1HG   GLU  24          2HG       GLU  24  16.237  -0.178   8.053
  184   2HG   GLU  24          1HG       GLU  24  15.450  -0.027   6.457
  185    H    THR  25           H        THR  25  14.044   1.998   6.252
  186    HA   THR  25           HA       THR  25  13.817   1.468   3.570
  187    HB   THR  25           HB       THR  25  11.490   2.637   3.887
  188    HG1  THR  25          1HG       THR  25  11.753   2.458   6.571
  189   1HG2  THR  25          2HG2      THR  25  12.666   0.165   4.963
  190   2HG2  THR  25          1HG2      THR  25  11.363   0.697   5.988
  191   3HG2  THR  25          3HG2      THR  25  11.051   0.366   4.279
  192    H    ASN  26           H        ASN  26  12.706   3.073   1.850
  193    HA   ASN  26           HA       ASN  26  13.440   5.898   2.366
  194   1HB   ASN  26          2HB       ASN  26  15.394   5.644   1.420
  195   2HB   ASN  26          1HB       ASN  26  14.970   4.084   0.678
  196   1HD2  ASN  26          2HD2      ASN  26  15.421   5.813  -2.330
  197   2HD2  ASN  26          1HD2      ASN  26  16.103   4.715  -1.243
  198    H    GLU  27           H        GLU  27  12.335   7.322   1.150
  199    HA   GLU  27           HA       GLU  27   9.625   6.835   0.424
  200   1HB   GLU  27          2HB       GLU  27  10.904   9.139  -0.798
  201   2HB   GLU  27          1HB       GLU  27   9.410   9.020   0.070
  202   1HG   GLU  27          2HG       GLU  27  10.482  10.015   1.799
  203   2HG   GLU  27          1HG       GLU  27  11.116   8.433   2.101
  204    H    LEU  28           H        LEU  28  12.485   7.595  -1.559
  205    HA   LEU  28           HA       LEU  28  11.156   7.412  -4.086
  206   1HB   LEU  28          2HB       LEU  28  13.048   8.927  -3.888
  207   2HB   LEU  28          1HB       LEU  28  14.077   7.662  -3.215
  208    HG   LEU  28           HG       LEU  28  13.358   6.653  -5.727
  209   1HD1  LEU  28          1HD1      LEU  28  13.622   9.643  -5.690
  210   2HD1  LEU  28          3HD1      LEU  28  14.009   8.646  -7.115
  211   3HD1  LEU  28          2HD1      LEU  28  12.376   8.701  -6.520
  212   1HD2  LEU  28          3HD2      LEU  28  15.728   8.252  -4.692
  213   2HD2  LEU  28          2HD2      LEU  28  15.582   6.515  -4.780
  214   3HD2  LEU  28          1HD2      LEU  28  15.731   7.437  -6.257
  215    H    MET  29           H        MET  29  12.692   5.320  -1.866
  216    HA   MET  29           HA       MET  29  13.508   3.192  -3.594
  217   1HB   MET  29          2HB       MET  29  13.993   3.574  -1.007
  218   2HB   MET  29          1HB       MET  29  12.475   2.775  -0.746
  219   1HG   MET  29          2HG       MET  29  13.780   1.166  -2.581
  220   2HG   MET  29          1HG       MET  29  15.098   1.752  -1.576
  221   1HE   MET  29          3HE       MET  29  15.837  -0.011  -0.541
  222   2HE   MET  29          2HE       MET  29  15.536   0.624   1.084
  223   3HE   MET  29          1HE       MET  29  15.117  -1.024   0.735
  224    H    LEU  30           H        LEU  30  10.815   3.562  -1.351
  225    HA   LEU  30           HA       LEU  30   9.099   1.452  -2.323
  226   1HB   LEU  30          2HB       LEU  30   8.904   3.729  -0.422
  227   2HB   LEU  30          1HB       LEU  30   7.399   3.054  -1.023
  228    HG   LEU  30           HG       LEU  30   9.126   0.917  -0.246
  229   1HD1  LEU  30          2HD1      LEU  30   9.958   2.969   1.240
  230   2HD1  LEU  30          1HD1      LEU  30   8.557   2.452   2.223
  231   3HD1  LEU  30          3HD1      LEU  30   9.811   1.317   1.846
  232   1HD2  LEU  30          2HD2      LEU  30   6.535   1.121  -0.302
  233   2HD2  LEU  30          1HD2      LEU  30   7.300   0.201   1.017
  234   3HD2  LEU  30          3HD2      LEU  30   6.737   1.846   1.306
  235    H    SER  31           H        SER  31   9.692   4.811  -3.161
  236    HA   SER  31           HA       SER  31   7.313   5.027  -4.755
  237   1HB   SER  31          2HB       SER  31   8.691   7.137  -4.033
  238   2HB   SER  31          1HB       SER  31   9.887   6.595  -5.245
  239    HG   SER  31           HG       SER  31   8.558   7.974  -6.247
  240    H    MET  32           H        MET  32  10.603   4.057  -5.491
  241    HA   MET  32           HA       MET  32   9.984   3.880  -8.295
  242   1HB   MET  32          2HB       MET  32  12.197   3.709  -8.502
  243   2HB   MET  32          1HB       MET  32  12.341   3.781  -6.737
  244   1HG   MET  32          2HG       MET  32  12.121   1.378  -6.501
  245   2HG   MET  32          1HG       MET  32  11.784   1.265  -8.202
  246   1HE   MET  32          2HE       MET  32  14.078  -0.242  -6.431
  247   2HE   MET  32          1HE       MET  32  14.090  -0.667  -8.150
  248   3HE   MET  32          3HE       MET  32  15.552  -0.121  -7.343
  249    H    LEU  33           H        LEU  33   9.752   1.824  -5.443
  250    HA   LEU  33           HA       LEU  33   9.493  -0.756  -6.713
  251   1HB   LEU  33          2HB       LEU  33   9.187   0.445  -4.031
  252   2HB   LEU  33          1HB       LEU  33   8.065  -0.884  -4.395
  253    HG   LEU  33           HG       LEU  33  11.111  -0.992  -4.674
  254   1HD1  LEU  33          1HD1      LEU  33   9.269  -1.946  -2.512
  255   2HD1  LEU  33          3HD1      LEU  33  11.009  -2.308  -2.572
  256   3HD1  LEU  33          2HD1      LEU  33  10.416  -0.644  -2.331
  257   1HD2  LEU  33          3HD2      LEU  33   9.439  -2.672  -5.891
  258   2HD2  LEU  33          2HD2      LEU  33  10.876  -3.331  -5.061
  259   3HD2  LEU  33          1HD2      LEU  33   9.311  -3.332  -4.260
  260    H    PHE  34           H        PHE  34   7.523   1.906  -5.728
  261    HA   PHE  34           HA       PHE  34   5.069   0.507  -6.481
  262   1HB   PHE  34          2HB       PHE  34   5.466   3.392  -5.568
  263   2HB   PHE  34          1HB       PHE  34   3.926   2.783  -6.077
  264    HD1  PHE  34           HD1      PHE  34   3.814  -0.007  -5.143
  265    HD2  PHE  34           HD2      PHE  34   5.513   3.502  -3.268
  266    HE1  PHE  34           HE1      PHE  34   3.533  -1.062  -2.951
  267    HE2  PHE  34           HE2      PHE  34   5.249   2.461  -1.070
  268    HZ   PHE  34           HZ       PHE  34   4.233   0.116  -0.933
  269    H    ASN  35           H        ASN  35   7.377   2.575  -7.874
  270    HA   ASN  35           HA       ASN  35   5.906   3.498 -10.126
  271   1HB   ASN  35          2HB       ASN  35   8.043   4.666  -9.850
  272   2HB   ASN  35          1HB       ASN  35   8.866   3.098  -9.624
  273   1HD2  ASN  35          1HD2      ASN  35   8.031   4.253 -13.405
  274   2HD2  ASN  35          2HD2      ASN  35   7.119   4.930 -12.108
  275    H    GLN  36           H        GLN  36   7.899   0.682  -9.574
  276    HA   GLN  36           HA       GLN  36   8.353  -0.765 -11.797
  277   1HB   GLN  36          2HB       GLN  36   7.096  -1.521  -9.213
  278   2HB   GLN  36          1HB       GLN  36   7.015  -2.675 -10.500
  279   1HG   GLN  36          2HG       GLN  36   9.545  -2.235 -10.817
  280   2HG   GLN  36          1HG       GLN  36   9.511  -1.497  -9.211
  281   1HE2  GLN  36          2HE2      GLN  36   8.205  -4.802  -7.914
  282   2HE2  GLN  36          1HE2      GLN  36   7.502  -3.237  -8.093
  283    H    PHE  37           H        PHE  37   5.166  -0.079 -10.532
  284    HA   PHE  37           HA       PHE  37   3.727  -1.644 -12.473
  285   1HB   PHE  37          2HB       PHE  37   2.983  -0.280  -9.949
  286   2HB   PHE  37          1HB       PHE  37   1.755  -1.038 -10.921
  287    HD1  PHE  37           HD1      PHE  37   2.211  -3.448 -11.763
  288    HD2  PHE  37           HD2      PHE  37   4.426  -1.624  -8.558
  289    HE1  PHE  37           HE1      PHE  37   3.019  -5.726 -10.993
  290    HE2  PHE  37           HE2      PHE  37   5.206  -3.893  -7.833
  291    HZ   PHE  37           HZ       PHE  37   4.491  -5.860  -9.048
  292    HA   PRO  38           HA       PRO  38   2.975   1.913 -15.258
  293   1HB   PRO  38          2HB       PRO  38   1.083   0.602 -16.771
  294   2HB   PRO  38          1HB       PRO  38   2.820   0.372 -16.997
  295   1HG   PRO  38          2HG       PRO  38   0.937  -1.364 -15.329
  296   2HG   PRO  38          1HG       PRO  38   2.103  -1.874 -16.547
  297   1HD   PRO  38          2HD       PRO  38   2.854  -2.000 -14.085
  298   2HD   PRO  38          1HD       PRO  38   3.948  -1.131 -15.222
  299    H    GLY  39           H        GLY  39   1.964   2.886 -13.308
  300   1HA   GLY  39          2HA       GLY  39  -0.566   3.928 -13.764
  301   2HA   GLY  39          1HA       GLY  39  -0.856   2.539 -12.714
  302    H    PHE  40           H        PHE  40   1.672   2.772 -11.420
  303    HA   PHE  40           HA       PHE  40   1.558   3.599  -9.057
  304   1HB   PHE  40          2HB       PHE  40   3.733   4.444  -8.971
  305   2HB   PHE  40          1HB       PHE  40   3.644   3.239 -10.240
  306    HD1  PHE  40           HD1      PHE  40   2.406   5.025 -12.534
  307    HD2  PHE  40           HD2      PHE  40   5.537   5.739  -9.690
  308    HE1  PHE  40           HE1      PHE  40   3.373   6.648 -13.989
  309    HE2  PHE  40           HE2      PHE  40   6.526   7.415 -11.228
  310    HZ   PHE  40           HZ       PHE  40   5.457   7.911 -13.412
  311    H    LYS  41           H        LYS  41  -0.002   4.913  -8.323
  312    HA   LYS  41           HA       LYS  41  -0.298   7.613  -9.518
  313   1HB   LYS  41          2HB       LYS  41  -2.167   5.975  -8.377
  314   2HB   LYS  41          1HB       LYS  41  -1.844   7.160  -7.110
  315   1HG   LYS  41          2HG       LYS  41  -2.054   8.730  -9.358
  316   2HG   LYS  41          1HG       LYS  41  -3.289   7.458  -9.601
  317   1HD   LYS  41          2HD       LYS  41  -3.656   7.882  -7.032
  318   2HD   LYS  41          1HD       LYS  41  -3.080   9.506  -7.408
  319   1HE   LYS  41          2HE       LYS  41  -5.336   9.779  -7.910
  320   2HE   LYS  41          1HE       LYS  41  -4.898   8.967  -9.443
  321   1HZ   LYS  41          1HZ       LYS  41  -5.306   6.845  -8.215
  322   2HZ   LYS  41          3HZ       LYS  41  -5.978   7.791  -6.965
  323   3HZ   LYS  41          2HZ       LYS  41  -6.682   7.739  -8.527
  324    H    GLU  42           H        GLU  42  -0.235   6.770  -6.053
  325    HA   GLU  42           HA       GLU  42   1.691   8.947  -5.569
  326   1HB   GLU  42          2HB       GLU  42  -0.556   9.915  -5.276
  327   2HB   GLU  42          1HB       GLU  42  -0.874   8.657  -4.040
  328   1HG   GLU  42          2HG       GLU  42   0.708   9.555  -2.521
  329   2HG   GLU  42          1HG       GLU  42   1.572  10.402  -3.812
  330    H    VAL  43           H        VAL  43   2.643   8.825  -3.605
  331    HA   VAL  43           HA       VAL  43   2.495   6.446  -1.949
  332    HB   VAL  43           HB       VAL  43   5.052   7.118  -3.356
  333   1HG1  VAL  43          3HG1      VAL  43   4.899   6.053  -0.946
  334   2HG1  VAL  43          2HG1      VAL  43   4.789   4.569  -1.877
  335   3HG1  VAL  43          1HG1      VAL  43   6.151   5.693  -2.129
  336   1HG2  VAL  43          1HG2      VAL  43   3.266   5.882  -4.806
  337   2HG2  VAL  43          3HG2      VAL  43   4.756   4.968  -4.577
  338   3HG2  VAL  43          2HG2      VAL  43   3.317   4.608  -3.632
  339    H    ARG  44           H        ARG  44   2.752   7.093   0.049
  340    HA   ARG  44           HA       ARG  44   4.022   9.673   0.598
  341   1HB   ARG  44          2HB       ARG  44   1.340   9.299   0.784
  342   2HB   ARG  44          1HB       ARG  44   1.873   8.712   2.360
  343   1HG   ARG  44          2HG       ARG  44   3.300  10.925   2.372
  344   2HG   ARG  44          1HG       ARG  44   2.034  11.484   1.239
  345   1HD   ARG  44          2HD       ARG  44   1.591  11.992   3.730
  346   2HD   ARG  44          1HD       ARG  44   0.335  11.108   2.900
  347    HE   ARG  44           HE       ARG  44   2.265   9.405   4.285
  348   1HH1  ARG  44          1HH2      ARG  44  -0.905   9.544   3.672
  349   2HH1  ARG  44          2HH2      ARG  44  -1.494   9.440   5.297
  350   1HH2  ARG  44          1HH1      ARG  44   1.588   9.997   6.756
  351   2HH2  ARG  44          2HH1      ARG  44  -0.111   9.691   6.991
  352    H    LEU  45           H        LEU  45   5.883   8.844   1.204
  353    HA   LEU  45           HA       LEU  45   6.038   7.515   3.795
  354   1HB   LEU  45          2HB       LEU  45   6.108   5.851   1.938
  355   2HB   LEU  45          1HB       LEU  45   7.544   6.694   1.315
  356    HG   LEU  45           HG       LEU  45   7.809   4.529   2.729
  357   1HD1  LEU  45          3HD1      LEU  45   9.728   6.035   2.231
  358   2HD1  LEU  45          2HD1      LEU  45   9.346   6.952   3.703
  359   3HD1  LEU  45          1HD1      LEU  45   9.832   5.279   3.829
  360   1HD2  LEU  45          1HD2      LEU  45   6.200   5.153   4.430
  361   2HD2  LEU  45          3HD2      LEU  45   7.767   4.913   5.222
  362   3HD2  LEU  45          2HD2      LEU  45   7.221   6.535   4.935
  363    H    VAL  46           H        VAL  46   6.911   9.740   4.447
  364    HA   VAL  46           HA       VAL  46   9.754  10.090   3.779
  365    HB   VAL  46           HB       VAL  46   8.587  10.705   1.629
  366   1HG1  VAL  46          1HG1      VAL  46   6.618  11.871   2.906
  367   2HG1  VAL  46          3HG1      VAL  46   7.711  13.261   2.857
  368   3HG1  VAL  46          2HG1      VAL  46   7.222  12.502   1.361
  369   1HG2  VAL  46          2HG2      VAL  46  10.613  12.143   3.012
  370   2HG2  VAL  46          1HG2      VAL  46  10.388  11.872   1.294
  371   3HG2  VAL  46          3HG2      VAL  46   9.642  13.281   2.067
  372    HA   PRO  47           HA       PRO  47   8.570  13.364   6.884
  373   1HB   PRO  47          2HB       PRO  47   7.156  11.953   8.865
  374   2HB   PRO  47          1HB       PRO  47   6.421  12.889   7.548
  375   1HG   PRO  47          2HG       PRO  47   6.057  10.145   7.811
  376   2HG   PRO  47          1HG       PRO  47   6.000  10.964   6.242
  377   1HD   PRO  47          2HD       PRO  47   8.497   9.846   7.634
  378   2HD   PRO  47          1HD       PRO  47   7.867   9.301   6.040
  379    H    GLY  48           H        GLY  48   8.790  12.777   9.818
  380   1HA   GLY  48          2HA       GLY  48  11.548  11.900   9.848
  381   2HA   GLY  48          1HA       GLY  48  10.548  12.053  11.315
  382    H    ARG  49           H        ARG  49   8.555  10.428   9.722
  383    HA   ARG  49           HA       ARG  49   8.904   7.814  10.844
  384   1HB   ARG  49          2HB       ARG  49   7.139   8.832   8.633
  385   2HB   ARG  49          1HB       ARG  49   7.014   7.243   9.392
  386   1HG   ARG  49          2HG       ARG  49   6.380   8.184  11.446
  387   2HG   ARG  49          1HG       ARG  49   7.005   9.798  11.067
  388   1HD   ARG  49          2HD       ARG  49   5.067   9.046   9.083
  389   2HD   ARG  49          1HD       ARG  49   4.372   8.832  10.658
  390    HE   ARG  49           HE       ARG  49   5.485  11.373   9.566
  391   1HH1  ARG  49          1HH2      ARG  49   5.105  10.468  12.616
  392   2HH1  ARG  49          2HH2      ARG  49   3.829  11.571  13.066
  393   1HH2  ARG  49          2HH1      ARG  49   3.247  12.450   9.734
  394   2HH2  ARG  49          1HH1      ARG  49   2.750  12.731  11.361
  395    H    HIS  50           H        HIS  50   8.273   7.945   7.378
  396    HA   HIS  50           HA       HIS  50   9.285   6.826   5.617
  397   1HB   HIS  50          2HB       HIS  50  11.611   6.077   7.423
  398   2HB   HIS  50          1HB       HIS  50  11.542   6.037   5.673
  399    HD1  HIS  50           HD1      HIS  50  13.690   7.616   7.381
  400    HD2  HIS  50           HD2      HIS  50  10.388   9.253   5.392
  401    HE1  HIS  50           HE1      HIS  50  14.213  10.075   6.923
  402    HE2  HIS  50           HE2      HIS  50  12.246  11.056   5.716
  403    H    ASP  51           H        ASP  51   7.873   5.926   8.137
  404    HA   ASP  51           HA       ASP  51   8.284   3.013   7.889
  405   1HB   ASP  51          2HB       ASP  51   8.424   2.723  10.220
  406   2HB   ASP  51          1HB       ASP  51   9.020   4.392  10.076
  407    H    ILE  52           H        ILE  52   6.133   5.474   7.478
  408    HA   ILE  52           HA       ILE  52   3.822   3.650   7.689
  409    HB   ILE  52           HB       ILE  52   2.327   5.526   7.999
  410   1HG1  ILE  52          2HG1      ILE  52   4.203   7.359   9.196
  411   2HG1  ILE  52          1HG1      ILE  52   4.605   7.191   7.470
  412   1HG2  ILE  52          3HG2      ILE  52   4.196   4.406   9.891
  413   2HG2  ILE  52          2HG2      ILE  52   3.659   5.989  10.411
  414   3HG2  ILE  52          1HG2      ILE  52   2.458   4.726  10.027
  415   1HD1  ILE  52          3HD1      ILE  52   1.758   7.645   8.408
  416   2HD1  ILE  52          2HD1      ILE  52   2.886   8.962   8.006
  417   3HD1  ILE  52          1HD1      ILE  52   2.456   7.774   6.785
  418    H    ALA  53           H        ALA  53   3.297   3.116   5.689
  419    HA   ALA  53           HA       ALA  53   3.982   4.925   3.419
  420   1HB   ALA  53          2HB       ALA  53   3.745   1.920   3.726
  421   2HB   ALA  53          1HB       ALA  53   3.720   2.717   2.150
  422   3HB   ALA  53          3HB       ALA  53   5.137   2.840   3.185
  423    H    PHE  54           H        PHE  54   2.366   5.861   2.505
  424    HA   PHE  54           HA       PHE  54  -0.305   4.687   2.284
  425   1HB   PHE  54          2HB       PHE  54   0.093   7.076   3.410
  426   2HB   PHE  54          1HB       PHE  54   0.509   7.525   1.745
  427    HD1  PHE  54           HD2      PHE  54  -2.248   5.174   2.397
  428    HD2  PHE  54           HD1      PHE  54  -1.132   9.242   1.579
  429    HE1  PHE  54           HE2      PHE  54  -4.619   5.751   1.855
  430    HE2  PHE  54           HE1      PHE  54  -3.475   9.785   1.041
  431    HZ   PHE  54           HZ       PHE  54  -5.228   8.037   1.179
  432    H    VAL  55           H        VAL  55  -0.257   3.550   0.506
  433    HA   VAL  55           HA       VAL  55   1.005   4.586  -2.013
  434    HB   VAL  55           HB       VAL  55   0.283   1.814  -1.036
  435   1HG1  VAL  55          2HG1      VAL  55   1.446   2.779  -3.648
  436   2HG1  VAL  55          1HG1      VAL  55   1.577   1.125  -3.108
  437   3HG1  VAL  55          3HG1      VAL  55  -0.006   1.808  -3.423
  438   1HG2  VAL  55          3HG2      VAL  55   2.166   3.159  -0.007
  439   2HG2  VAL  55          2HG2      VAL  55   2.583   1.573  -0.679
  440   3HG2  VAL  55          1HG2      VAL  55   2.934   3.078  -1.587
  441    H    GLU  56           H        GLU  56  -0.436   5.590  -3.112
  442    HA   GLU  56           HA       GLU  56  -3.174   4.725  -3.742
  443   1HB   GLU  56          2HB       GLU  56  -1.953   7.230  -3.385
  444   2HB   GLU  56          1HB       GLU  56  -2.074   7.015  -5.145
  445   1HG   GLU  56          2HG       GLU  56  -4.496   6.469  -4.860
  446   2HG   GLU  56          1HG       GLU  56  -4.354   6.807  -3.158
  447    H    PHE  57           H        PHE  57  -3.073   3.103  -5.120
  448    HA   PHE  57           HA       PHE  57  -1.256   3.073  -7.434
  449   1HB   PHE  57          2HB       PHE  57  -2.469   0.982  -5.743
  450   2HB   PHE  57          1HB       PHE  57  -2.714   0.689  -7.433
  451    HD1  PHE  57           HD2      PHE  57  -0.638   1.296  -8.947
  452    HD2  PHE  57           HD1      PHE  57  -0.368   0.260  -4.762
  453    HE1  PHE  57           HE2      PHE  57   1.644   0.691  -9.260
  454    HE2  PHE  57           HE1      PHE  57   1.963  -0.370  -5.056
  455    HZ   PHE  57           HZ       PHE  57   3.001  -0.157  -7.345
  456    H    ASP  58           H        ASP  58  -2.097   4.116  -9.053
  457    HA   ASP  58           HA       ASP  58  -4.364   5.040  -9.898
  458   1HB   ASP  58          2HB       ASP  58  -2.770   5.283 -11.520
  459   2HB   ASP  58          1HB       ASP  58  -2.303   3.570 -11.471
  460    H    ASN  59           H        ASN  59  -3.719   1.536 -10.145
  461    HA   ASN  59           HA       ASN  59  -6.649   1.141 -10.050
  462   1HB   ASN  59          2HB       ASN  59  -6.600   1.016 -12.345
  463   2HB   ASN  59          1HB       ASN  59  -4.845   0.694 -12.401
  464   1HD2  ASN  59          1HD2      ASN  59  -7.427  -2.375 -12.686
  465   2HD2  ASN  59          2HD2      ASN  59  -7.901  -0.733 -12.687
  466    H    GLU  60           H        GLU  60  -7.233  -0.642  -9.070
  467    HA   GLU  60           HA       GLU  60  -5.613  -1.940  -7.208
  468   1HB   GLU  60          2HB       GLU  60  -7.504  -3.409  -6.763
  469   2HB   GLU  60          1HB       GLU  60  -7.927  -1.734  -6.914
  470   1HG   GLU  60          2HG       GLU  60  -9.477  -2.349  -8.536
  471   2HG   GLU  60          1HG       GLU  60  -8.101  -2.791  -9.534
  472    H    VAL  61           H        VAL  61  -5.856  -2.832 -10.585
  473    HA   VAL  61           HA       VAL  61  -5.004  -5.570 -10.020
  474    HB   VAL  61           HB       VAL  61  -4.894  -3.994 -12.628
  475   1HG1  VAL  61          1HG1      VAL  61  -3.137  -5.606 -12.639
  476   2HG1  VAL  61          3HG1      VAL  61  -4.299  -6.906 -12.259
  477   3HG1  VAL  61          2HG1      VAL  61  -4.446  -6.032 -13.784
  478   1HG2  VAL  61          3HG2      VAL  61  -7.163  -4.748 -11.650
  479   2HG2  VAL  61          2HG2      VAL  61  -6.767  -5.333 -13.268
  480   3HG2  VAL  61          1HG2      VAL  61  -6.623  -6.429 -11.904
  481    H    GLN  62           H        GLN  62  -3.715  -2.479 -10.756
  482    HA   GLN  62           HA       GLN  62  -0.863  -3.302 -10.691
  483   1HB   GLN  62          2HB       GLN  62  -1.508  -0.461 -10.255
  484   2HB   GLN  62          1HB       GLN  62  -0.215  -1.173 -11.179
  485   1HG   GLN  62          2HG       GLN  62  -1.409  -1.323 -13.121
  486   2HG   GLN  62          1HG       GLN  62  -2.923  -1.517 -12.259
  487   1HE2  GLN  62          1HE2      GLN  62  -2.590   1.941 -13.883
  488   2HE2  GLN  62          2HE2      GLN  62  -2.376   0.330 -14.450
  489    H    ALA  63           H        ALA  63  -3.214  -2.030  -8.401
  490    HA   ALA  63           HA       ALA  63  -1.242  -1.479  -6.424
  491   1HB   ALA  63          3HB       ALA  63  -3.824  -0.690  -6.622
  492   2HB   ALA  63          2HB       ALA  63  -4.107  -2.097  -5.637
  493   3HB   ALA  63          1HB       ALA  63  -3.055  -0.788  -5.044
  494    H    GLY  64           H        GLY  64  -3.510  -3.955  -7.237
  495   1HA   GLY  64          2HA       GLY  64  -2.918  -5.878  -5.287
  496   2HA   GLY  64          1HA       GLY  64  -3.731  -6.177  -6.834
  497    H    ALA  65           H        ALA  65  -1.414  -5.077  -8.458
  498    HA   ALA  65           HA       ALA  65   0.122  -7.451  -8.630
  499   1HB   ALA  65          3HB       ALA  65  -0.248  -5.783 -10.576
  500   2HB   ALA  65          2HB       ALA  65   0.989  -4.768  -9.794
  501   3HB   ALA  65          1HB       ALA  65   1.368  -6.391 -10.327
  502    H    ALA  66           H        ALA  66   1.048  -4.037  -7.720
  503    HA   ALA  66           HA       ALA  66   3.658  -4.570  -6.668
  504   1HB   ALA  66          1HB       ALA  66   1.517  -2.503  -6.461
  505   2HB   ALA  66          3HB       ALA  66   2.658  -2.462  -5.159
  506   3HB   ALA  66          2HB       ALA  66   3.253  -2.318  -6.843
  507    H    ARG  67           H        ARG  67   0.556  -4.545  -5.170
  508    HA   ARG  67           HA       ARG  67   1.579  -5.134  -2.551
  509   1HB   ARG  67          2HB       ARG  67  -0.938  -4.303  -3.233
  510   2HB   ARG  67          1HB       ARG  67  -1.274  -5.998  -3.313
  511   1HG   ARG  67          2HG       ARG  67  -1.718  -4.897  -1.124
  512   2HG   ARG  67          1HG       ARG  67  -0.584  -6.233  -1.007
  513   1HD   ARG  67          2HD       ARG  67  -0.122  -3.816   0.144
  514   2HD   ARG  67          1HD       ARG  67   1.189  -4.842  -0.478
  515    HE   ARG  67           HE       ARG  67   0.163  -2.991  -2.493
  516   1HH1  ARG  67          2HH1      ARG  67   3.020  -3.923  -2.177
  517   2HH1  ARG  67          1HH1      ARG  67   3.811  -2.464  -1.707
  518   1HH2  ARG  67          1HH2      ARG  67   0.761  -0.879  -0.882
  519   2HH2  ARG  67          2HH2      ARG  67   2.473  -0.715  -0.958
  520    H    ASP  68           H        ASP  68   0.156  -7.253  -5.014
  521    HA   ASP  68           HA       ASP  68   0.536  -9.719  -3.658
  522   1HB   ASP  68          2HB       ASP  68  -0.837  -9.574  -5.667
  523   2HB   ASP  68          1HB       ASP  68   0.551  -9.201  -6.660
  524    H    ALA  69           H        ALA  69   2.740  -7.731  -5.393
  525    HA   ALA  69           HA       ALA  69   4.758  -9.852  -5.588
  526   1HB   ALA  69          1HB       ALA  69   4.556  -7.014  -6.396
  527   2HB   ALA  69          3HB       ALA  69   6.202  -7.572  -5.990
  528   3HB   ALA  69          2HB       ALA  69   5.232  -8.392  -7.243
  529    H    LEU  70           H        LEU  70   4.055  -7.054  -3.528
  530    HA   LEU  70           HA       LEU  70   5.834  -8.324  -1.458
  531   1HB   LEU  70          2HB       LEU  70   6.791  -6.172  -0.809
  532   2HB   LEU  70          1HB       LEU  70   7.236  -6.633  -2.479
  533    HG   LEU  70           HG       LEU  70   4.806  -5.076  -2.363
  534   1HD1  LEU  70          3HD1      LEU  70   7.237  -3.902  -1.033
  535   2HD1  LEU  70          2HD1      LEU  70   6.047  -2.860  -1.786
  536   3HD1  LEU  70          1HD1      LEU  70   5.547  -3.890  -0.473
  537   1HD2  LEU  70          1HD2      LEU  70   6.685  -5.601  -4.149
  538   2HD2  LEU  70          3HD2      LEU  70   5.573  -4.210  -4.281
  539   3HD2  LEU  70          2HD2      LEU  70   7.200  -3.974  -3.696
  540    H    GLN  71           H        GLN  71   3.529  -8.979  -1.024
  541    HA   GLN  71           HA       GLN  71   1.795  -6.928   0.071
  542   1HB   GLN  71          2HB       GLN  71   0.837  -9.012  -1.023
  543   2HB   GLN  71          1HB       GLN  71   1.552  -9.954   0.256
  544   1HG   GLN  71          2HG       GLN  71   0.020  -7.708   1.389
  545   2HG   GLN  71          1HG       GLN  71  -0.948  -8.603   0.264
  546   1HE2  GLN  71          1HE2      GLN  71  -0.342 -11.791   2.057
  547   2HE2  GLN  71          2HE2      GLN  71  -0.159 -11.160   0.490
  548    H    GLY  72           H        GLY  72   4.453  -8.594   1.065
  549   1HA   GLY  72          2HA       GLY  72   4.297  -7.717   3.797
  550   2HA   GLY  72          1HA       GLY  72   4.046  -9.484   3.674
  551    H    PHE  73           H        PHE  73   6.029  -6.951   2.240
  552    HA   PHE  73           HA       PHE  73   8.316  -8.392   1.491
  553   1HB   PHE  73          2HB       PHE  73   8.217  -6.239   0.671
  554   2HB   PHE  73          1HB       PHE  73   7.970  -5.522   2.292
  555    HD1  PHE  73           HD2      PHE  73  10.392  -8.175   1.344
  556    HD2  PHE  73           HD1      PHE  73   9.898  -4.026   2.346
  557    HE1  PHE  73           HE2      PHE  73  12.855  -7.912   1.515
  558    HE2  PHE  73           HE1      PHE  73  12.351  -3.796   2.501
  559    HZ   PHE  73           HZ       PHE  73  13.830  -5.768   2.074
  560    H    LYS  74           H        LYS  74   8.873  -9.908   2.865
  561    HA   LYS  74           HA       LYS  74   9.141  -9.681   5.708
  562   1HB   LYS  74          2HB       LYS  74  10.901 -11.595   5.335
  563   2HB   LYS  74          1HB       LYS  74   9.234 -11.965   4.883
  564   1HG   LYS  74          2HG       LYS  74   9.669 -11.818   2.665
  565   2HG   LYS  74          1HG       LYS  74  11.028 -10.677   2.904
  566   1HD   LYS  74          2HD       LYS  74  12.402 -12.433   2.534
  567   2HD   LYS  74          1HD       LYS  74  11.958 -12.921   4.192
  568   1HE   LYS  74          2HE       LYS  74  10.590 -14.577   3.476
  569   2HE   LYS  74          1HE       LYS  74  10.150 -13.719   1.972
  570   1HZ   LYS  74          3HZ       LYS  74  12.838 -14.802   2.595
  571   2HZ   LYS  74          2HZ       LYS  74  11.701 -15.726   1.738
  572   3HZ   LYS  74          1HZ       LYS  74  12.230 -14.262   1.087
  573    H    ILE  75           H        ILE  75  10.013  -7.737   6.092
  574    HA   ILE  75           HA       ILE  75  12.554  -6.820   5.138
  575    HB   ILE  75           HB       ILE  75  11.287  -6.341   7.860
  576   1HG1  ILE  75          2HG1      ILE  75  10.625  -5.409   5.081
  577   2HG1  ILE  75          1HG1      ILE  75   9.509  -5.913   6.344
  578   1HG2  ILE  75          2HG2      ILE  75  13.278  -4.929   6.085
  579   2HG2  ILE  75          1HG2      ILE  75  12.394  -4.048   7.357
  580   3HG2  ILE  75          3HG2      ILE  75  13.434  -5.378   7.813
  581   1HD1  ILE  75          3HD1      ILE  75  10.089  -3.832   7.631
  582   2HD1  ILE  75          2HD1      ILE  75  10.969  -3.290   6.187
  583   3HD1  ILE  75          1HD1      ILE  75   9.245  -3.557   6.092
  584    H    THR  76           H        THR  76  11.542  -9.053   7.540
  585    HA   THR  76           HA       THR  76  14.358  -9.831   8.132
  586    HB   THR  76           HB       THR  76  12.086  -9.874  10.151
  587    HG1  THR  76          1HG       THR  76  13.902  -7.911   9.578
  588   1HG2  THR  76          3HG2      THR  76  14.822 -10.909   9.974
  589   2HG2  THR  76          2HG2      THR  76  14.455 -10.144  11.537
  590   3HG2  THR  76          1HG2      THR  76  13.473 -11.497  10.938
  591    H    GLN  77           H        GLN  77  11.052 -10.826   8.046
  592    HA   GLN  77           HA       GLN  77  10.630 -12.888   6.750
  593   1HB   GLN  77          2HB       GLN  77  12.763 -14.030   7.190
  594   2HB   GLN  77          1HB       GLN  77  12.481 -13.936   8.931
  595   1HG   GLN  77          2HG       GLN  77  11.948 -16.109   8.494
  596   2HG   GLN  77          1HG       GLN  77  10.359 -15.276   8.487
  597   1HE2  GLN  77          1HE2      GLN  77  10.190 -17.141   5.326
  598   2HE2  GLN  77          2HE2      GLN  77   9.924 -17.385   6.973
  599    H    ASN  78           H        ASN  78  10.939 -12.208  10.122
  600    HA   ASN  78           HA       ASN  78   8.216 -13.162  10.727
  601   1HB   ASN  78          2HB       ASN  78   8.758 -13.030  12.994
  602   2HB   ASN  78          1HB       ASN  78  10.339 -13.534  12.324
  603   1HD2  ASN  78          2HD2      ASN  78  11.733 -10.272  12.993
  604   2HD2  ASN  78          1HD2      ASN  78  11.915 -11.658  12.012
  605    H    ASN  79           H        ASN  79  10.220 -10.438  10.240
  606    HA   ASN  79           HA       ASN  79   8.099  -8.455  10.839
  607   1HB   ASN  79          2HB       ASN  79  11.108  -8.275  10.511
  608   2HB   ASN  79          1HB       ASN  79  10.048  -6.854  10.298
  609   1HD2  ASN  79          2HD2      ASN  79   9.081  -6.910  13.795
  610   2HD2  ASN  79          1HD2      ASN  79   8.428  -6.667  12.220
  611    H    ALA  80           H        ALA  80   6.846  -8.369   9.071
  612    HA   ALA  80           HA       ALA  80   8.080  -8.102   6.390
  613   1HB   ALA  80          3HB       ALA  80   5.958  -9.818   7.364
  614   2HB   ALA  80          2HB       ALA  80   5.246  -8.652   6.285
  615   3HB   ALA  80          1HB       ALA  80   6.521  -9.690   5.679
  616    H    MET  81           H        MET  81   7.317  -6.262   5.172
  617    HA   MET  81           HA       MET  81   6.470  -4.050   6.728
  618   1HB   MET  81          2HB       MET  81   7.127  -3.129   4.883
  619   2HB   MET  81          1HB       MET  81   6.963  -4.632   3.933
  620   1HG   MET  81          2HG       MET  81   4.760  -4.030   3.266
  621   2HG   MET  81          1HG       MET  81   4.563  -2.885   4.555
  622   1HE   MET  81          2HE       MET  81   6.583  -3.962   1.622
  623   2HE   MET  81          1HE       MET  81   7.010  -2.457   0.785
  624   3HE   MET  81          3HE       MET  81   7.952  -3.063   2.183
  625    H    LYS  82           H        LYS  82   4.148  -2.958   6.767
  626    HA   LYS  82           HA       LYS  82   1.997  -4.887   6.109
  627   1HB   LYS  82          2HB       LYS  82   2.385  -3.448   8.731
  628   2HB   LYS  82          1HB       LYS  82   0.796  -3.920   8.152
  629   1HG   LYS  82          2HG       LYS  82   2.945  -5.939   7.893
  630   2HG   LYS  82          1HG       LYS  82   2.586  -5.475   9.563
  631   1HD   LYS  82          2HD       LYS  82   0.515  -6.226   7.492
  632   2HD   LYS  82          1HD       LYS  82   1.186  -7.405   8.619
  633   1HE   LYS  82          2HE       LYS  82   0.111  -4.896   9.850
  634   2HE   LYS  82          1HE       LYS  82  -1.053  -6.014   9.124
  635   1HZ   LYS  82          1HZ       LYS  82   1.034  -7.014  10.909
  636   2HZ   LYS  82          3HZ       LYS  82  -0.433  -6.471  11.548
  637   3HZ   LYS  82          2HZ       LYS  82  -0.434  -7.759  10.424
  638    H    ILE  83           H        ILE  83   0.876  -4.100   4.657
  639    HA   ILE  83           HA       ILE  83   0.341  -1.237   4.068
  640    HB   ILE  83           HB       ILE  83   1.018  -3.436   2.095
  641   1HG1  ILE  83          2HG1      ILE  83   2.568  -0.922   2.627
  642   2HG1  ILE  83          1HG1      ILE  83   2.881  -2.435   3.490
  643   1HG2  ILE  83          2HG2      ILE  83  -0.533  -1.040   1.976
  644   2HG2  ILE  83          1HG2      ILE  83   1.041  -0.650   1.275
  645   3HG2  ILE  83          3HG2      ILE  83   0.015  -1.932   0.569
  646   1HD1  ILE  83          1HD1      ILE  83   2.506  -2.939   0.674
  647   2HD1  ILE  83          3HD1      ILE  83   3.781  -1.739   0.936
  648   3HD1  ILE  83          2HD1      ILE  83   3.834  -3.350   1.717
  649    H    SER  84           H        SER  84  -1.848  -1.178   4.554
  650    HA   SER  84           HA       SER  84  -3.558  -3.506   4.009
  651   1HB   SER  84          2HB       SER  84  -4.129  -1.222   5.945
  652   2HB   SER  84          1HB       SER  84  -5.222  -2.471   5.462
  653    HG   SER  84           HG       SER  84  -4.429  -3.307   7.186
  654    H    PHE  85           H        PHE  85  -4.406  -3.156   2.008
  655    HA   PHE  85           HA       PHE  85  -4.957  -1.008   0.506
  656   1HB   PHE  85          2HB       PHE  85  -7.243  -2.461   0.053
  657   2HB   PHE  85          1HB       PHE  85  -5.692  -3.009  -0.514
  658    HD1  PHE  85           HD2      PHE  85  -8.046  -3.107   2.288
  659    HD2  PHE  85           HD1      PHE  85  -4.751  -5.056   0.389
  660    HE1  PHE  85           HE2      PHE  85  -8.305  -5.119   3.809
  661    HE2  PHE  85           HE1      PHE  85  -4.970  -7.026   1.862
  662    HZ   PHE  85           HZ       PHE  85  -6.763  -7.045   3.572
  663    H    ALA  86           H        ALA  86  -7.000   0.381   0.397
  664    HA   ALA  86           HA       ALA  86  -8.088   0.898   3.097
  665   1HB   ALA  86          1HB       ALA  86  -7.980   2.391   0.489
  666   2HB   ALA  86          3HB       ALA  86  -9.066   2.863   1.761
  667   3HB   ALA  86          2HB       ALA  86  -7.330   2.836   2.088
  668    H    LYS  87           H        LYS  87  -9.343  -0.794   0.259
  669    HA   LYS  87           HA       LYS  87 -12.107  -0.259   1.333
  670   1HB   LYS  87          2HB       LYS  87 -12.114  -0.758  -1.553
  671   2HB   LYS  87          1HB       LYS  87 -12.914   0.465  -0.573
  672   1HG   LYS  87          2HG       LYS  87  -9.963   0.652  -1.263
  673   2HG   LYS  87          1HG       LYS  87 -11.230   1.132  -2.366
  674   1HD   LYS  87          2HD       LYS  87 -11.469   2.226   0.389
  675   2HD   LYS  87          1HD       LYS  87 -10.271   2.938  -0.730
  676   1HE   LYS  87          2HE       LYS  87 -12.602   2.585  -2.207
  677   2HE   LYS  87          1HE       LYS  87 -13.108   3.261  -0.626
  678   1HZ   LYS  87          1HZ       LYS  87 -11.243   4.908  -1.036
  679   2HZ   LYS  87          3HZ       LYS  87 -11.221   4.354  -2.625
  680   3HZ   LYS  87          2HZ       LYS  87 -12.647   5.067  -1.964
  681    H    LYS  88           H        LYS  88 -11.485  -2.110   2.524
  682    HA   LYS  88           HA       LYS  88 -11.003  -4.544   2.605
  683   1HB   LYS  88          2HB       LYS  88 -13.714  -3.401   2.912
  684   2HB   LYS  88          1HB       LYS  88 -13.668  -5.146   2.806
  685   1HG   LYS  88          2HG       LYS  88 -12.015  -3.474   4.715
  686   2HG   LYS  88          1HG       LYS  88 -13.435  -4.402   5.203
  687   1HD   LYS  88          2HD       LYS  88 -11.710  -6.227   3.811
  688   2HD   LYS  88          1HD       LYS  88 -10.671  -5.231   4.841
  689   1HE   LYS  88          2HE       LYS  88 -13.244  -6.399   5.896
  690   2HE   LYS  88          1HE       LYS  88 -11.766  -7.368   5.823
  691   1HZ   LYS  88          2HZ       LYS  88 -11.803  -4.659   7.027
  692   2HZ   LYS  88          1HZ       LYS  88 -12.323  -5.997   7.915
  693   3HZ   LYS  88          3HZ       LYS  88 -10.743  -5.995   7.296
   
  No H/Q in entry =         693
  Start of MODEL    6
    1   1H    MET   1          3H        MET   1 -28.170   4.511  11.177
    2   2H    MET   1          2H        MET   1 -29.332   4.455   9.939
    3   3H    MET   1          1H        MET   1 -29.749   4.061  11.535
    4    HA   MET   1           HA       MET   1 -28.996   1.990  11.347
    5   1HB   MET   1          2HB       MET   1 -28.988   2.967   8.473
    6   2HB   MET   1          1HB       MET   1 -28.754   1.267   8.854
    7   1HG   MET   1          2HG       MET   1 -30.867   0.939   9.492
    8   2HG   MET   1          1HG       MET   1 -31.102   2.588  10.088
    9   1HE   MET   1          2HE       MET   1 -30.230   0.578   7.177
   10   2HE   MET   1          1HE       MET   1 -30.982   1.227   5.748
   11   3HE   MET   1          3HE       MET   1 -29.530   2.005   6.446
   12    H    ALA   2           H        ALA   2 -26.874   1.904  12.350
   13    HA   ALA   2           HA       ALA   2 -24.571   2.781  10.751
   14   1HB   ALA   2          2HB       ALA   2 -25.107   2.637  13.471
   15   2HB   ALA   2          1HB       ALA   2 -23.986   1.312  13.236
   16   3HB   ALA   2          3HB       ALA   2 -23.510   2.939  12.806
   17    HA   PRO   3           HA       PRO   3 -23.589  -1.851  10.735
   18   1HB   PRO   3          2HB       PRO   3 -24.995  -3.627  12.209
   19   2HB   PRO   3          1HB       PRO   3 -23.714  -2.587  12.901
   20   1HG   PRO   3          2HG       PRO   3 -26.683  -2.412  13.166
   21   2HG   PRO   3          1HG       PRO   3 -25.427  -1.798  14.279
   22   1HD   PRO   3          2HD       PRO   3 -26.903  -0.338  12.267
   23   2HD   PRO   3          1HD       PRO   3 -25.643   0.288  13.318
   24    H    ALA   4           H        ALA   4 -26.784  -3.218  11.432
   25    HA   ALA   4           HA       ALA   4 -28.410  -4.080  10.021
   26   1HB   ALA   4          1HB       ALA   4 -27.874  -1.390   9.207
   27   2HB   ALA   4          3HB       ALA   4 -28.165  -2.371   7.778
   28   3HB   ALA   4          2HB       ALA   4 -29.368  -2.361   9.033
   29    H    GLN   5           H        GLN   5 -28.683  -4.376   7.448
   30    HA   GLN   5           HA       GLN   5 -28.233  -6.270   6.157
   31   1HB   GLN   5          2HB       GLN   5 -27.955  -3.892   5.181
   32   2HB   GLN   5          1HB       GLN   5 -26.341  -4.520   4.713
   33   1HG   GLN   5          2HG       GLN   5 -27.507  -5.327   2.967
   34   2HG   GLN   5          1HG       GLN   5 -27.774  -6.649   4.148
   35   1HE2  GLN   5          1HE2      GLN   5 -31.045  -5.705   2.612
   36   2HE2  GLN   5          2HE2      GLN   5 -29.592  -6.383   2.083
   37    HA   PRO   6           HA       PRO   6 -25.261  -3.846   6.345
   38   1HB   PRO   6          2HB       PRO   6 -22.535  -3.853   6.515
   39   2HB   PRO   6          1HB       PRO   6 -23.525  -3.907   7.967
   40   1HG   PRO   6          2HG       PRO   6 -21.705  -5.925   6.925
   41   2HG   PRO   6          1HG       PRO   6 -22.664  -5.994   8.416
   42   1HD   PRO   6          2HD       PRO   6 -23.354  -7.147   5.732
   43   2HD   PRO   6          1HD       PRO   6 -23.953  -7.545   7.329
   44    H    LEU   7           H        LEU   7 -23.511  -2.623   4.851
   45    HA   LEU   7           HA       LEU   7 -23.788  -3.771   2.226
   46   1HB   LEU   7          2HB       LEU   7 -22.099  -1.773   1.613
   47   2HB   LEU   7          1HB       LEU   7 -23.773  -1.444   2.018
   48    HG   LEU   7           HG       LEU   7 -22.016  -1.469   4.376
   49   1HD1  LEU   7          1HD1      LEU   7 -21.403   0.007   1.911
   50   2HD1  LEU   7          3HD1      LEU   7 -21.331   0.967   3.420
   51   3HD1  LEU   7          2HD1      LEU   7 -20.310  -0.426   3.203
   52   1HD2  LEU   7          1HD2      LEU   7 -24.265   0.154   3.233
   53   2HD2  LEU   7          3HD2      LEU   7 -24.132  -0.673   4.779
   54   3HD2  LEU   7          2HD2      LEU   7 -23.273   0.841   4.480
   55    H    SER   8           H        SER   8 -20.643  -2.581   3.496
   56    HA   SER   8           HA       SER   8 -18.578  -3.512   3.476
   57   1HB   SER   8          2HB       SER   8 -19.999  -5.541   4.446
   58   2HB   SER   8          1HB       SER   8 -19.777  -6.200   2.833
   59    HG   SER   8           HG       SER   8 -18.112  -6.344   4.816
   60    H    GLU   9           H        GLU   9 -19.550  -2.471   1.036
   61    HA   GLU   9           HA       GLU   9 -18.056  -4.167  -0.946
   62   1HB   GLU   9          2HB       GLU   9 -20.579  -4.237  -1.266
   63   2HB   GLU   9          1HB       GLU   9 -20.584  -2.493  -1.402
   64   1HG   GLU   9          2HG       GLU   9 -19.023  -2.766  -3.370
   65   2HG   GLU   9          1HG       GLU   9 -19.239  -4.533  -3.224
   66    H    ASN  10           H        ASN  10 -16.984  -2.859  -2.562
   67    HA   ASN  10           HA       ASN  10 -17.028   0.016  -2.470
   68   1HB   ASN  10          2HB       ASN  10 -15.576  -0.998  -0.445
   69   2HB   ASN  10          1HB       ASN  10 -14.352  -1.060  -1.724
   70   1HD2  ASN  10          2HD2      ASN  10 -13.589   2.245  -0.901
   71   2HD2  ASN  10          1HD2      ASN  10 -13.084   0.643  -1.009
   72    HA   PRO  11           HA       PRO  11 -15.474  -0.846  -6.528
   73   1HB   PRO  11          2HB       PRO  11 -14.097   1.697  -6.596
   74   2HB   PRO  11          1HB       PRO  11 -15.526   1.133  -7.477
   75   1HG   PRO  11          2HG       PRO  11 -15.544   3.103  -5.437
   76   2HG   PRO  11          1HG       PRO  11 -16.949   2.246  -6.049
   77   1HD   PRO  11          2HD       PRO  11 -15.422   1.739  -3.528
   78   2HD   PRO  11          1HD       PRO  11 -17.081   1.300  -3.970
   79    HA   PRO  12           HA       PRO  12 -11.251  -2.213  -6.359
   80   1HB   PRO  12          2HB       PRO  12 -10.342  -0.987  -8.798
   81   2HB   PRO  12          1HB       PRO  12 -11.095  -2.617  -8.708
   82   1HG   PRO  12          2HG       PRO  12 -12.269   0.000  -9.382
   83   2HG   PRO  12          1HG       PRO  12 -12.705  -1.579 -10.013
   84   1HD   PRO  12          2HD       PRO  12 -14.337  -0.296  -8.291
   85   2HD   PRO  12          1HD       PRO  12 -14.145  -2.085  -8.154
   86    H    ASN  13           H        ASN  13  -9.853  -1.034  -4.873
   87    HA   ASN  13           HA       ASN  13  -9.913   1.833  -4.977
   88   1HB   ASN  13          2HB       ASN  13  -8.626  -0.231  -3.257
   89   2HB   ASN  13          1HB       ASN  13  -7.832   1.344  -3.360
   90   1HD2  ASN  13          1HD2      ASN  13 -10.727   1.094  -0.744
   91   2HD2  ASN  13          2HD2      ASN  13  -9.810  -0.181  -1.259
   92    H    HIS  14           H        HIS  14  -6.829   0.387  -4.680
   93    HA   HIS  14           HA       HIS  14  -5.084   0.230  -6.327
   94   1HB   HIS  14          2HB       HIS  14  -4.781   1.661  -8.090
   95   2HB   HIS  14          1HB       HIS  14  -6.503   1.493  -8.151
   96    HD1  HIS  14           HD1      HIS  14  -5.232   4.173  -9.226
   97    HD2  HIS  14           HD2      HIS  14  -6.811   3.711  -5.431
   98    HE1  HIS  14           HE1      HIS  14  -5.832   6.458  -8.398
   99    HE2  HIS  14           HE2      HIS  14  -6.809   6.256  -6.058
  100    H    ILE  15           H        ILE  15  -5.737   1.645  -3.738
  101    HA   ILE  15           HA       ILE  15  -3.414   3.468  -3.482
  102    HB   ILE  15           HB       ILE  15  -6.195   4.035  -2.629
  103   1HG1  ILE  15          2HG1      ILE  15  -3.788   5.636  -3.469
  104   2HG1  ILE  15          1HG1      ILE  15  -5.119   5.206  -4.528
  105   1HG2  ILE  15          2HG2      ILE  15  -3.776   4.401  -0.974
  106   2HG2  ILE  15          1HG2      ILE  15  -4.885   5.746  -0.990
  107   3HG2  ILE  15          3HG2      ILE  15  -5.454   4.146  -0.453
  108   1HD1  ILE  15          3HD1      ILE  15  -6.167   6.483  -2.215
  109   2HD1  ILE  15          2HD1      ILE  15  -4.861   7.496  -2.829
  110   3HD1  ILE  15          1HD1      ILE  15  -6.206   7.040  -3.910
  111    H    LEU  16           H        LEU  16  -2.031   2.256  -2.174
  112    HA   LEU  16           HA       LEU  16  -3.227   0.666  -0.008
  113   1HB   LEU  16          2HB       LEU  16  -0.444   0.130  -1.046
  114   2HB   LEU  16          1HB       LEU  16  -1.673  -1.025  -0.450
  115    HG   LEU  16           HG       LEU  16  -2.920  -0.397  -2.604
  116   1HD1  LEU  16          3HD1      LEU  16  -0.634   1.211  -2.998
  117   2HD1  LEU  16          2HD1      LEU  16  -0.409  -0.211  -4.011
  118   3HD1  LEU  16          1HD1      LEU  16  -1.851   0.737  -4.225
  119   1HD2  LEU  16          2HD2      LEU  16  -1.668  -2.607  -1.942
  120   2HD2  LEU  16          1HD2      LEU  16  -1.909  -2.276  -3.676
  121   3HD2  LEU  16          3HD2      LEU  16  -0.347  -1.977  -2.871
  122    H    PHE  17           H        PHE  17  -3.106   1.638   1.754
  123    HA   PHE  17           HA       PHE  17  -0.797   3.254   2.538
  124   1HB   PHE  17          2HB       PHE  17  -2.682   4.730   2.198
  125   2HB   PHE  17          1HB       PHE  17  -3.717   3.610   3.095
  126    HD1  PHE  17           HD1      PHE  17  -0.271   4.944   3.776
  127    HD2  PHE  17           HD2      PHE  17  -4.311   4.583   5.227
  128    HE1  PHE  17           HE1      PHE  17   0.434   5.972   5.849
  129    HE2  PHE  17           HE2      PHE  17  -3.619   5.631   7.341
  130    HZ   PHE  17           HZ       PHE  17  -1.221   6.341   7.675
  131    H    LEU  18           H        LEU  18   0.100   2.687   4.308
  132    HA   LEU  18           HA       LEU  18  -0.838   1.753   6.609
  133   1HB   LEU  18          2HB       LEU  18  -0.812  -0.721   4.952
  134   2HB   LEU  18          1HB       LEU  18  -0.413  -0.788   6.624
  135    HG   LEU  18           HG       LEU  18  -2.899  -0.558   5.438
  136   1HD1  LEU  18          3HD1      LEU  18  -2.044  -2.195   7.016
  137   2HD1  LEU  18          2HD1      LEU  18  -2.174  -1.007   8.307
  138   3HD1  LEU  18          1HD1      LEU  18  -3.623  -1.536   7.487
  139   1HD2  LEU  18          3HD2      LEU  18  -2.706   1.925   6.291
  140   2HD2  LEU  18          2HD2      LEU  18  -3.918   0.975   7.099
  141   3HD2  LEU  18          1HD2      LEU  18  -2.321   1.214   7.852
  142    H    THR  19           H        THR  19   1.079  -0.011   7.322
  143    HA   THR  19           HA       THR  19   3.561   1.534   6.979
  144    HB   THR  19           HB       THR  19   3.442   2.600   9.052
  145    HG1  THR  19          1HG       THR  19   3.658   0.755  10.225
  146   1HG2  THR  19          2HG2      THR  19   0.522   1.869   8.900
  147   2HG2  THR  19          1HG2      THR  19   1.251   3.089   9.904
  148   3HG2  THR  19          3HG2      THR  19   1.286   3.294   8.156
  149    H    ASN  20           H        ASN  20   4.974   0.520   8.678
  150    HA   ASN  20           HA       ASN  20   5.507  -1.207  10.103
  151   1HB   ASN  20          2HB       ASN  20   3.460  -2.558   9.696
  152   2HB   ASN  20          1HB       ASN  20   4.219  -3.238   8.234
  153   1HD2  ASN  20          1HD2      ASN  20   6.457  -5.267  10.064
  154   2HD2  ASN  20          2HD2      ASN  20   6.237  -4.517   8.553
  155    H    LEU  21           H        LEU  21   6.818   0.340   8.262
  156    HA   LEU  21           HA       LEU  21   8.722  -1.549   6.957
  157   1HB   LEU  21          2HB       LEU  21   7.823   1.315   6.554
  158   2HB   LEU  21          1HB       LEU  21   9.226   0.706   5.702
  159    HG   LEU  21           HG       LEU  21   7.951  -0.631   4.264
  160   1HD1  LEU  21          3HD1      LEU  21   5.663  -0.393   6.278
  161   2HD1  LEU  21          2HD1      LEU  21   5.513  -1.099   4.697
  162   3HD1  LEU  21          1HD1      LEU  21   6.564  -1.893   5.892
  163   1HD2  LEU  21          3HD2      LEU  21   7.364   2.013   4.490
  164   2HD2  LEU  21          2HD2      LEU  21   6.556   0.959   3.311
  165   3HD2  LEU  21          1HD2      LEU  21   5.810   1.335   4.850
  166    HA   PRO  22           HA       PRO  22   9.909  -0.017  11.375
  167   1HB   PRO  22          2HB       PRO  22  11.873  -1.823   9.880
  168   2HB   PRO  22          1HB       PRO  22  11.881  -1.530  11.618
  169   1HG   PRO  22          2HG       PRO  22  10.298  -3.534  10.635
  170   2HG   PRO  22          1HG       PRO  22   9.696  -2.471  11.920
  171   1HD   PRO  22          2HD       PRO  22   8.956  -2.553   9.094
  172   2HD   PRO  22          1HD       PRO  22   8.157  -1.662  10.445
  173    H    GLU  23           H        GLU  23  13.119  -0.150  10.203
  174    HA   GLU  23           HA       GLU  23  13.133   2.800   9.557
  175   1HB   GLU  23          2HB       GLU  23  13.653   2.377  11.996
  176   2HB   GLU  23          1HB       GLU  23  15.144   1.606  11.464
  177   1HG   GLU  23          2HG       GLU  23  15.912   3.602  10.474
  178   2HG   GLU  23          1HG       GLU  23  14.353   4.363  10.513
  179    H    GLU  24           H        GLU  24  13.826  -0.151   8.445
  180    HA   GLU  24           HA       GLU  24  16.350   0.695   7.118
  181   1HB   GLU  24          2HB       GLU  24  16.049  -1.633   8.307
  182   2HB   GLU  24          1HB       GLU  24  15.080  -2.069   6.881
  183   1HG   GLU  24          2HG       GLU  24  17.147  -2.655   6.060
  184   2HG   GLU  24          1HG       GLU  24  17.136  -0.941   5.627
  185    H    THR  25           H        THR  25  14.057   1.960   6.448
  186    HA   THR  25           HA       THR  25  13.448   0.836   3.752
  187    HB   THR  25           HB       THR  25  11.120   1.939   4.190
  188    HG1  THR  25          1HG       THR  25  11.965   3.290   5.836
  189   1HG2  THR  25          1HG2      THR  25  12.351  -0.531   5.123
  190   2HG2  THR  25          3HG2      THR  25  11.328   0.081   6.380
  191   3HG2  THR  25          2HG2      THR  25  10.636  -0.250   4.763
  192    H    ASN  26           H        ASN  26  13.107   2.381   2.049
  193    HA   ASN  26           HA       ASN  26  13.821   5.175   2.782
  194   1HB   ASN  26          2HB       ASN  26  15.807   4.963   1.896
  195   2HB   ASN  26          1HB       ASN  26  15.408   3.386   1.144
  196   1HD2  ASN  26          1HD2      ASN  26  15.979   4.960  -1.903
  197   2HD2  ASN  26          2HD2      ASN  26  16.484   3.821  -0.788
  198    H    GLU  27           H        GLU  27  12.931   6.764   1.608
  199    HA   GLU  27           HA       GLU  27  10.283   6.489   0.628
  200   1HB   GLU  27          2HB       GLU  27  11.520   8.868  -0.453
  201   2HB   GLU  27          1HB       GLU  27  10.153   8.649   0.621
  202   1HG   GLU  27          2HG       GLU  27  11.766   8.414   2.534
  203   2HG   GLU  27          1HG       GLU  27  13.089   8.657   1.365
  204    H    LEU  28           H        LEU  28  13.289   7.196  -1.173
  205    HA   LEU  28           HA       LEU  28  12.123   7.201  -3.817
  206   1HB   LEU  28          2HB       LEU  28  14.195   8.474  -3.384
  207   2HB   LEU  28          1HB       LEU  28  14.969   7.016  -2.784
  208    HG   LEU  28           HG       LEU  28  14.802   6.045  -5.093
  209   1HD1  LEU  28          1HD1      LEU  28  13.411   8.737  -5.600
  210   2HD1  LEU  28          3HD1      LEU  28  13.999   7.631  -6.870
  211   3HD1  LEU  28          2HD1      LEU  28  12.692   7.155  -5.757
  212   1HD2  LEU  28          2HD2      LEU  28  16.481   8.067  -4.308
  213   2HD2  LEU  28          1HD2      LEU  28  16.648   7.156  -5.794
  214   3HD2  LEU  28          3HD2      LEU  28  15.818   8.710  -5.797
  215    H    MET  29           H        MET  29  13.271   4.900  -1.552
  216    HA   MET  29           HA       MET  29  14.021   2.801  -3.342
  217   1HB   MET  29          2HB       MET  29  14.475   2.928  -0.746
  218   2HB   MET  29          1HB       MET  29  12.873   2.300  -0.550
  219   1HG   MET  29          2HG       MET  29  13.795   0.526  -2.326
  220   2HG   MET  29          1HG       MET  29  15.350   1.128  -1.821
  221   1HE   MET  29          2HE       MET  29  11.898   0.441  -0.305
  222   2HE   MET  29          1HE       MET  29  12.409  -1.199  -0.813
  223   3HE   MET  29          3HE       MET  29  12.202  -0.788   0.908
  224    H    LEU  30           H        LEU  30  11.240   3.346  -1.268
  225    HA   LEU  30           HA       LEU  30   9.496   1.400  -2.405
  226   1HB   LEU  30          2HB       LEU  30   9.096   3.857  -0.619
  227   2HB   LEU  30          1HB       LEU  30   7.740   2.898  -1.206
  228    HG   LEU  30           HG       LEU  30  10.091   1.612   0.172
  229   1HD1  LEU  30          3HD1      LEU  30   9.204   3.347   1.684
  230   2HD1  LEU  30          2HD1      LEU  30   7.595   2.642   1.511
  231   3HD1  LEU  30          1HD1      LEU  30   8.848   1.698   2.268
  232   1HD2  LEU  30          1HD2      LEU  30   8.327   0.285  -1.138
  233   2HD2  LEU  30          3HD2      LEU  30   8.588  -0.189   0.558
  234   3HD2  LEU  30          2HD2      LEU  30   7.197   0.813   0.129
  235    H    SER  31           H        SER  31  10.305   4.698  -3.136
  236    HA   SER  31           HA       SER  31   8.176   5.390  -4.901
  237   1HB   SER  31          2HB       SER  31   9.949   7.048  -3.986
  238   2HB   SER  31          1HB       SER  31  11.025   6.404  -5.201
  239    HG   SER  31           HG       SER  31   8.915   8.058  -5.390
  240    H    MET  32           H        MET  32  11.383   3.920  -5.422
  241    HA   MET  32           HA       MET  32  11.105   3.685  -8.317
  242   1HB   MET  32          2HB       MET  32  12.994   2.879  -6.202
  243   2HB   MET  32          1HB       MET  32  12.939   1.800  -7.581
  244   1HG   MET  32          2HG       MET  32  13.020   4.144  -8.864
  245   2HG   MET  32          1HG       MET  32  14.032   4.516  -7.431
  246   1HE   MET  32          2HE       MET  32  16.370   3.978  -7.274
  247   2HE   MET  32          1HE       MET  32  17.239   3.357  -8.675
  248   3HE   MET  32          3HE       MET  32  16.258   4.803  -8.840
  249    H    LEU  33           H        LEU  33  10.365   1.641  -5.471
  250    HA   LEU  33           HA       LEU  33  10.005  -0.863  -6.886
  251   1HB   LEU  33          2HB       LEU  33   9.570   0.288  -4.172
  252   2HB   LEU  33          1HB       LEU  33   8.479  -1.044  -4.662
  253    HG   LEU  33           HG       LEU  33  11.490  -1.116  -4.995
  254   1HD1  LEU  33          3HD1      LEU  33  10.687  -0.699  -2.560
  255   2HD1  LEU  33          2HD1      LEU  33  10.068  -2.365  -2.650
  256   3HD1  LEU  33          1HD1      LEU  33  11.797  -2.044  -2.832
  257   1HD2  LEU  33          2HD2      LEU  33   9.243  -2.945  -5.462
  258   2HD2  LEU  33          1HD2      LEU  33  10.963  -3.072  -5.937
  259   3HD2  LEU  33          3HD2      LEU  33  10.402  -3.659  -4.367
  260    H    PHE  34           H        PHE  34   8.149   1.859  -5.809
  261    HA   PHE  34           HA       PHE  34   5.663   0.649  -6.738
  262   1HB   PHE  34          2HB       PHE  34   6.136   3.455  -5.629
  263   2HB   PHE  34          1HB       PHE  34   4.596   2.915  -6.228
  264    HD1  PHE  34           HD2      PHE  34   4.331   0.092  -5.452
  265    HD2  PHE  34           HD1      PHE  34   6.107   3.392  -3.332
  266    HE1  PHE  34           HE2      PHE  34   3.885  -1.079  -3.301
  267    HE2  PHE  34           HE1      PHE  34   5.666   2.236  -1.236
  268    HZ   PHE  34           HZ       PHE  34   4.522  -0.069  -1.223
  269    H    ASN  35           H        ASN  35   8.138   2.714  -7.873
  270    HA   ASN  35           HA       ASN  35   6.906   3.907 -10.185
  271   1HB   ASN  35          2HB       ASN  35   9.017   4.811  -9.377
  272   2HB   ASN  35          1HB       ASN  35   9.804   3.228  -9.641
  273   1HD2  ASN  35          2HD2      ASN  35  10.253   3.941 -13.098
  274   2HD2  ASN  35          1HD2      ASN  35  10.656   2.973 -11.733
  275    H    GLN  36           H        GLN  36   8.619   0.861  -9.604
  276    HA   GLN  36           HA       GLN  36   9.258  -0.298 -11.945
  277   1HB   GLN  36          2HB       GLN  36   7.762  -1.254  -9.559
  278   2HB   GLN  36          1HB       GLN  36   7.684  -2.293 -10.944
  279   1HG   GLN  36          2HG       GLN  36  10.057  -2.567 -11.058
  280   2HG   GLN  36          1HG       GLN  36  10.316  -1.217  -9.939
  281   1HE2  GLN  36          2HE2      GLN  36   8.551  -4.224  -7.921
  282   2HE2  GLN  36          1HE2      GLN  36   7.722  -3.493  -9.225
  283    H    PHE  37           H        PHE  37   6.029   0.394 -10.935
  284    HA   PHE  37           HA       PHE  37   4.656  -0.796 -13.188
  285   1HB   PHE  37          2HB       PHE  37   3.660   0.574 -10.709
  286   2HB   PHE  37          1HB       PHE  37   2.640  -0.287 -11.810
  287    HD1  PHE  37           HD1      PHE  37   2.978  -2.863 -12.143
  288    HD2  PHE  37           HD2      PHE  37   5.324  -0.546  -9.319
  289    HE1  PHE  37           HE1      PHE  37   3.790  -4.882 -11.117
  290    HE2  PHE  37           HE2      PHE  37   6.118  -2.668  -8.299
  291    HZ   PHE  37           HZ       PHE  37   5.355  -4.859  -9.205
  292    HA   PRO  38           HA       PRO  38   4.663   2.828 -15.848
  293   1HB   PRO  38          2HB       PRO  38   2.314   2.265 -17.159
  294   2HB   PRO  38          1HB       PRO  38   3.867   1.564 -17.595
  295   1HG   PRO  38          2HG       PRO  38   1.793   0.481 -15.649
  296   2HG   PRO  38          1HG       PRO  38   2.511  -0.427 -17.005
  297   1HD   PRO  38          2HD       PRO  38   3.629  -0.898 -14.770
  298   2HD   PRO  38          1HD       PRO  38   4.771  -0.249 -15.957
  299    H    GLY  39           H        GLY  39   1.892   1.853 -13.980
  300   1HA   GLY  39          2HA       GLY  39   0.415   4.308 -14.441
  301   2HA   GLY  39          1HA       GLY  39  -0.026   3.171 -13.210
  302    H    PHE  40           H        PHE  40   2.862   3.454 -12.270
  303    HA   PHE  40           HA       PHE  40   3.333   4.516 -10.089
  304   1HB   PHE  40          2HB       PHE  40   5.218   4.534 -11.493
  305   2HB   PHE  40          1HB       PHE  40   4.481   5.738 -12.572
  306    HD1  PHE  40           HD1      PHE  40   4.833   5.535  -8.917
  307    HD2  PHE  40           HD2      PHE  40   5.649   7.782 -12.487
  308    HE1  PHE  40           HE1      PHE  40   5.761   7.406  -7.534
  309    HE2  PHE  40           HE2      PHE  40   6.575   9.620 -11.104
  310    HZ   PHE  40           HZ       PHE  40   6.633   9.441  -8.615
  311    H    LYS  41           H        LYS  41   1.737   5.688  -8.919
  312    HA   LYS  41           HA       LYS  41   1.094   8.396 -10.139
  313   1HB   LYS  41          2HB       LYS  41  -0.564   6.344  -9.111
  314   2HB   LYS  41          1HB       LYS  41  -0.663   7.680  -8.018
  315   1HG   LYS  41          2HG       LYS  41  -0.806   8.999 -10.452
  316   2HG   LYS  41          1HG       LYS  41  -1.759   7.499 -10.681
  317   1HD   LYS  41          2HD       LYS  41  -2.852   7.954  -8.449
  318   2HD   LYS  41          1HD       LYS  41  -2.051   9.500  -8.472
  319   1HE   LYS  41          2HE       LYS  41  -3.309  10.061 -10.608
  320   2HE   LYS  41          1HE       LYS  41  -4.019   8.451 -10.554
  321   1HZ   LYS  41          1HZ       LYS  41  -4.177   9.958  -8.114
  322   2HZ   LYS  41          3HZ       LYS  41  -5.039  10.695  -9.356
  323   3HZ   LYS  41          2HZ       LYS  41  -5.448   9.122  -8.909
  324    H    GLU  42           H        GLU  42   1.201   6.981  -6.849
  325    HA   GLU  42           HA       GLU  42   2.657   9.357  -5.869
  326   1HB   GLU  42          2HB       GLU  42   0.136   9.818  -5.789
  327   2HB   GLU  42          1HB       GLU  42   0.081   8.590  -4.486
  328   1HG   GLU  42          2HG       GLU  42   1.668   9.831  -3.170
  329   2HG   GLU  42          1HG       GLU  42   2.011  10.953  -4.478
  330    H    VAL  43           H        VAL  43   3.582   9.096  -3.993
  331    HA   VAL  43           HA       VAL  43   3.440   6.617  -2.468
  332    HB   VAL  43           HB       VAL  43   5.911   7.495  -3.884
  333   1HG1  VAL  43          2HG1      VAL  43   5.580   6.148  -1.290
  334   2HG1  VAL  43          1HG1      VAL  43   6.521   5.163  -2.412
  335   3HG1  VAL  43          3HG1      VAL  43   7.038   6.782  -2.055
  336   1HG2  VAL  43          1HG2      VAL  43   4.196   4.987  -3.848
  337   2HG2  VAL  43          3HG2      VAL  43   4.620   5.994  -5.241
  338   3HG2  VAL  43          2HG2      VAL  43   5.846   4.967  -4.470
  339    H    ARG  44           H        ARG  44   3.500   7.177  -0.437
  340    HA   ARG  44           HA       ARG  44   4.604   9.801   0.297
  341   1HB   ARG  44          2HB       ARG  44   1.985   9.452   0.198
  342   2HB   ARG  44          1HB       ARG  44   2.288   8.559   1.688
  343   1HG   ARG  44          2HG       ARG  44   3.803  10.740   2.208
  344   2HG   ARG  44          1HG       ARG  44   2.699  11.458   1.037
  345   1HD   ARG  44          2HD       ARG  44   1.812  11.884   3.208
  346   2HD   ARG  44          1HD       ARG  44   0.752  10.701   2.455
  347    HE   ARG  44           HE       ARG  44   2.585   9.165   3.855
  348   1HH1  ARG  44          2HH1      ARG  44   1.919  11.868   5.319
  349   2HH1  ARG  44          1HH1      ARG  44   0.805  11.256   6.529
  350   1HH2  ARG  44          1HH2      ARG  44   0.463   8.185   4.942
  351   2HH2  ARG  44          2HH2      ARG  44  -0.013   9.161   6.288
  352    H    LEU  45           H        LEU  45   6.425   9.149   1.175
  353    HA   LEU  45           HA       LEU  45   6.435   7.500   3.590
  354   1HB   LEU  45          2HB       LEU  45   7.427   6.510   1.285
  355   2HB   LEU  45          1HB       LEU  45   8.783   7.568   1.675
  356    HG   LEU  45           HG       LEU  45   9.302   5.431   2.454
  357   1HD1  LEU  45          3HD1      LEU  45   9.441   7.599   4.031
  358   2HD1  LEU  45          2HD1      LEU  45   8.469   6.548   5.109
  359   3HD1  LEU  45          1HD1      LEU  45  10.038   6.034   4.479
  360   1HD2  LEU  45          3HD2      LEU  45   6.858   4.636   2.520
  361   2HD2  LEU  45          2HD2      LEU  45   7.956   4.022   3.739
  362   3HD2  LEU  45          1HD2      LEU  45   6.777   5.305   4.131
  363    H    VAL  46           H        VAL  46   6.477   9.482   4.720
  364    HA   VAL  46           HA       VAL  46   8.400  11.623   4.163
  365    HB   VAL  46           HB       VAL  46   6.028  11.567   6.016
  366   1HG1  VAL  46          3HG1      VAL  46   7.804  13.702   4.895
  367   2HG1  VAL  46          2HG1      VAL  46   6.224  14.026   5.609
  368   3HG1  VAL  46          1HG1      VAL  46   7.507  13.354   6.614
  369   1HG2  VAL  46          2HG2      VAL  46   6.364  11.962   3.035
  370   2HG2  VAL  46          1HG2      VAL  46   5.018  11.240   3.882
  371   3HG2  VAL  46          3HG2      VAL  46   5.236  13.008   3.920
  372    HA   PRO  47           HA       PRO  47  11.163  10.014   7.243
  373   1HB   PRO  47          2HB       PRO  47  11.828  12.934   6.889
  374   2HB   PRO  47          1HB       PRO  47  12.918  11.554   7.281
  375   1HG   PRO  47          2HG       PRO  47  12.717  12.163   4.819
  376   2HG   PRO  47          1HG       PRO  47  12.449  10.424   5.210
  377   1HD   PRO  47          2HD       PRO  47  10.335  12.592   4.730
  378   2HD   PRO  47          1HD       PRO  47  10.356  10.944   4.113
  379    H    GLY  48           H        GLY  48  11.723  10.242   9.327
  380   1HA   GLY  48          2HA       GLY  48  11.365  10.898  11.640
  381   2HA   GLY  48          1HA       GLY  48   9.892  11.750  11.172
  382    H    ARG  49           H        ARG  49   9.356   9.524   9.297
  383    HA   ARG  49           HA       ARG  49   8.093   7.433  11.011
  384   1HB   ARG  49          2HB       ARG  49   7.620   8.517   8.181
  385   2HB   ARG  49          1HB       ARG  49   6.761   7.153   8.866
  386   1HG   ARG  49          2HG       ARG  49   6.892   9.992   9.936
  387   2HG   ARG  49          1HG       ARG  49   5.510   9.269   9.104
  388   1HD   ARG  49          2HD       ARG  49   4.817   8.634  11.116
  389   2HD   ARG  49          1HD       ARG  49   6.046   7.359  11.048
  390    HE   ARG  49           HE       ARG  49   7.626   8.897  12.138
  391   1HH1  ARG  49          2HH1      ARG  49   7.186  11.369  12.917
  392   2HH1  ARG  49          1HH1      ARG  49   5.981  11.449  14.145
  393   1HH2  ARG  49          2HH2      ARG  49   4.819   8.203  13.500
  394   2HH2  ARG  49          1HH2      ARG  49   4.621   9.621  14.482
  395    H    HIS  50           H        HIS  50   9.188   7.604   7.616
  396    HA   HIS  50           HA       HIS  50  10.378   6.110   6.353
  397   1HB   HIS  50          2HB       HIS  50  11.882   4.625   8.280
  398   2HB   HIS  50          1HB       HIS  50  12.466   5.723   7.017
  399    HD1  HIS  50           HD1      HIS  50  12.998   8.159   7.712
  400    HD2  HIS  50           HD2      HIS  50  12.022   5.682  10.908
  401    HE1  HIS  50           HE1      HIS  50  13.715   9.324   9.852
  402    HE2  HIS  50           HE2      HIS  50  13.143   7.873  11.835
  403    H    ASP  51           H        ASP  51   7.885   5.717   8.006
  404    HA   ASP  51           HA       ASP  51   7.953   2.758   7.847
  405   1HB   ASP  51          2HB       ASP  51   8.247   4.088  10.262
  406   2HB   ASP  51          1HB       ASP  51   6.506   3.892  10.176
  407    H    ILE  52           H        ILE  52   5.996   5.551   7.418
  408    HA   ILE  52           HA       ILE  52   3.547   3.921   7.220
  409    HB   ILE  52           HB       ILE  52   2.239   5.962   7.359
  410   1HG1  ILE  52          2HG1      ILE  52   4.020   7.826   8.606
  411   2HG1  ILE  52          1HG1      ILE  52   4.870   7.238   7.177
  412   1HG2  ILE  52          3HG2      ILE  52   3.904   4.940   9.531
  413   2HG2  ILE  52          2HG2      ILE  52   3.233   6.516   9.832
  414   3HG2  ILE  52          1HG2      ILE  52   2.141   5.178   9.432
  415   1HD1  ILE  52          2HD1      ILE  52   1.989   8.243   7.068
  416   2HD1  ILE  52          1HD1      ILE  52   3.361   9.303   6.934
  417   3HD1  ILE  52          3HD1      ILE  52   3.132   7.987   5.748
  418    H    ALA  53           H        ALA  53   3.224   3.352   5.187
  419    HA   ALA  53           HA       ALA  53   4.214   5.069   2.930
  420   1HB   ALA  53          1HB       ALA  53   3.929   2.121   3.345
  421   2HB   ALA  53          3HB       ALA  53   4.110   2.813   1.749
  422   3HB   ALA  53          2HB       ALA  53   5.361   3.072   2.996
  423    H    PHE  54           H        PHE  54   2.690   6.066   1.929
  424    HA   PHE  54           HA       PHE  54   0.099   4.853   1.374
  425   1HB   PHE  54          2HB       PHE  54  -0.677   6.664   2.565
  426   2HB   PHE  54          1HB       PHE  54   0.697   7.648   2.203
  427    HD1  PHE  54           HD2      PHE  54  -1.569   5.777  -0.133
  428    HD2  PHE  54           HD1      PHE  54  -0.289   9.573   1.302
  429    HE1  PHE  54           HE2      PHE  54  -2.937   6.871  -1.859
  430    HE2  PHE  54           HE1      PHE  54  -1.694  10.726  -0.453
  431    HZ   PHE  54           HZ       PHE  54  -3.002   9.318  -2.035
  432    H    VAL  55           H        VAL  55   0.183   3.955  -0.447
  433    HA   VAL  55           HA       VAL  55   1.642   5.218  -2.776
  434    HB   VAL  55           HB       VAL  55   1.019   2.394  -1.990
  435   1HG1  VAL  55          1HG1      VAL  55   1.994   3.636  -4.510
  436   2HG1  VAL  55          3HG1      VAL  55   3.044   2.379  -3.900
  437   3HG1  VAL  55          2HG1      VAL  55   1.340   1.992  -4.235
  438   1HG2  VAL  55          3HG2      VAL  55   2.754   3.785  -0.694
  439   2HG2  VAL  55          2HG2      VAL  55   3.199   2.192  -1.218
  440   3HG2  VAL  55          1HG2      VAL  55   3.770   3.616  -2.112
  441    H    GLU  56           H        GLU  56   0.278   6.054  -4.039
  442    HA   GLU  56           HA       GLU  56  -2.425   5.085  -4.704
  443   1HB   GLU  56          2HB       GLU  56  -1.505   7.596  -4.067
  444   2HB   GLU  56          1HB       GLU  56  -1.105   7.523  -5.788
  445   1HG   GLU  56          2HG       GLU  56  -3.569   6.773  -6.075
  446   2HG   GLU  56          1HG       GLU  56  -3.804   7.516  -4.470
  447    H    PHE  57           H        PHE  57  -2.392   3.756  -6.379
  448    HA   PHE  57           HA       PHE  57  -0.391   3.880  -8.578
  449   1HB   PHE  57          2HB       PHE  57  -1.809   1.637  -7.150
  450   2HB   PHE  57          1HB       PHE  57  -1.622   1.524  -8.875
  451    HD1  PHE  57           HD2      PHE  57   0.521   2.398  -5.922
  452    HD2  PHE  57           HD1      PHE  57   0.156   0.342  -9.665
  453    HE1  PHE  57           HE2      PHE  57   2.794   1.459  -5.722
  454    HE2  PHE  57           HE1      PHE  57   2.374  -0.562  -9.446
  455    HZ   PHE  57           HZ       PHE  57   3.758  -0.011  -7.459
  456    H    ASP  58           H        ASP  58  -1.301   4.925 -10.178
  457    HA   ASP  58           HA       ASP  58  -3.719   5.762 -10.860
  458   1HB   ASP  58          2HB       ASP  58  -1.495   5.583 -12.228
  459   2HB   ASP  58          1HB       ASP  58  -2.268   4.221 -13.041
  460    H    ASN  59           H        ASN  59  -2.970   2.228 -10.952
  461    HA   ASN  59           HA       ASN  59  -5.837   1.857 -10.908
  462   1HB   ASN  59          2HB       ASN  59  -6.005   1.586 -13.165
  463   2HB   ASN  59          1HB       ASN  59  -4.224   1.539 -13.363
  464   1HD2  ASN  59          2HD2      ASN  59  -6.312  -1.868 -13.553
  465   2HD2  ASN  59          1HD2      ASN  59  -7.071  -0.370 -13.434
  466    H    GLU  60           H        GLU  60  -6.495   0.001 -10.088
  467    HA   GLU  60           HA       GLU  60  -4.785  -1.321  -8.247
  468   1HB   GLU  60          2HB       GLU  60  -6.611  -2.713  -7.617
  469   2HB   GLU  60          1HB       GLU  60  -7.158  -1.058  -7.952
  470   1HG   GLU  60          2HG       GLU  60  -7.482  -3.614  -9.585
  471   2HG   GLU  60          1HG       GLU  60  -8.777  -2.622  -8.884
  472    H    VAL  61           H        VAL  61  -5.154  -2.263 -11.651
  473    HA   VAL  61           HA       VAL  61  -4.417  -5.004 -11.229
  474    HB   VAL  61           HB       VAL  61  -4.029  -3.186 -13.686
  475   1HG1  VAL  61          2HG1      VAL  61  -3.174  -5.972 -13.128
  476   2HG1  VAL  61          1HG1      VAL  61  -3.611  -5.512 -14.789
  477   3HG1  VAL  61          3HG1      VAL  61  -2.322  -4.669 -13.957
  478   1HG2  VAL  61          2HG2      VAL  61  -5.969  -5.382 -12.870
  479   2HG2  VAL  61          1HG2      VAL  61  -6.392  -3.779 -13.474
  480   3HG2  VAL  61          3HG2      VAL  61  -5.666  -4.958 -14.558
  481    H    GLN  62           H        GLN  62  -2.808  -1.996 -11.959
  482    HA   GLN  62           HA       GLN  62  -0.183  -3.183 -11.530
  483   1HB   GLN  62          2HB       GLN  62   0.705  -0.794 -11.662
  484   2HB   GLN  62          1HB       GLN  62   0.122  -1.568 -13.127
  485   1HG   GLN  62          2HG       GLN  62  -1.201   0.168 -13.490
  486   2HG   GLN  62          1HG       GLN  62  -2.075  -0.211 -12.051
  487   1HE2  GLN  62          1HE2      GLN  62   1.218   2.256 -11.517
  488   2HE2  GLN  62          2HE2      GLN  62   1.263   0.864 -12.448
  489    H    ALA  63           H        ALA  63  -2.440  -1.446  -9.427
  490    HA   ALA  63           HA       ALA  63  -0.451  -0.914  -7.427
  491   1HB   ALA  63          3HB       ALA  63  -2.997   0.002  -7.777
  492   2HB   ALA  63          2HB       ALA  63  -3.341  -1.352  -6.682
  493   3HB   ALA  63          1HB       ALA  63  -2.287  -0.061  -6.169
  494    H    GLY  64           H        GLY  64  -2.765  -3.335  -8.228
  495   1HA   GLY  64          2HA       GLY  64  -2.321  -5.062  -6.035
  496   2HA   GLY  64          1HA       GLY  64  -3.135  -5.481  -7.556
  497    H    ALA  65           H        ALA  65  -0.844  -4.639  -9.282
  498    HA   ALA  65           HA       ALA  65   0.688  -7.056  -9.296
  499   1HB   ALA  65          2HB       ALA  65   0.371  -5.042 -11.196
  500   2HB   ALA  65          1HB       ALA  65   1.913  -4.676 -10.495
  501   3HB   ALA  65          3HB       ALA  65   1.648  -6.267 -11.237
  502    H    ALA  66           H        ALA  66   1.609  -3.697  -8.439
  503    HA   ALA  66           HA       ALA  66   4.225  -4.107  -7.391
  504   1HB   ALA  66          1HB       ALA  66   2.069  -2.064  -7.143
  505   2HB   ALA  66          3HB       ALA  66   3.196  -2.171  -5.828
  506   3HB   ALA  66          2HB       ALA  66   3.780  -1.900  -7.500
  507    H    ARG  67           H        ARG  67   1.095  -4.115  -5.833
  508    HA   ARG  67           HA       ARG  67   2.000  -4.642  -3.199
  509   1HB   ARG  67          2HB       ARG  67  -0.296  -3.738  -3.956
  510   2HB   ARG  67          1HB       ARG  67  -0.712  -5.380  -4.422
  511   1HG   ARG  67          2HG       ARG  67   0.214  -4.634  -1.648
  512   2HG   ARG  67          1HG       ARG  67  -1.470  -4.502  -2.060
  513   1HD   ARG  67          2HD       ARG  67  -1.772  -6.748  -1.869
  514   2HD   ARG  67          1HD       ARG  67  -0.440  -7.122  -2.924
  515    HE   ARG  67           HE       ARG  67   1.056  -6.912  -0.893
  516   1HH1  ARG  67          1HH2      ARG  67  -0.133  -5.460   1.166
  517   2HH1  ARG  67          2HH2      ARG  67  -1.033  -6.602   2.087
  518   1HH2  ARG  67          2HH1      ARG  67  -1.074  -9.045  -0.407
  519   2HH2  ARG  67          1HH1      ARG  67  -1.572  -8.615   1.223
  520    H    ASP  68           H        ASP  68   1.017  -6.759  -5.839
  521    HA   ASP  68           HA       ASP  68   1.156  -9.213  -4.324
  522   1HB   ASP  68          2HB       ASP  68  -0.134  -9.532  -6.179
  523   2HB   ASP  68          1HB       ASP  68   0.878  -8.571  -7.237
  524    H    ALA  69           H        ALA  69   3.356  -7.221  -6.150
  525    HA   ALA  69           HA       ALA  69   5.485  -9.189  -6.373
  526   1HB   ALA  69          3HB       ALA  69   4.863  -6.754  -7.496
  527   2HB   ALA  69          2HB       ALA  69   6.263  -6.336  -6.522
  528   3HB   ALA  69          1HB       ALA  69   6.400  -7.598  -7.736
  529    H    LEU  70           H        LEU  70   4.568  -6.641  -4.072
  530    HA   LEU  70           HA       LEU  70   6.829  -7.596  -2.347
  531   1HB   LEU  70          2HB       LEU  70   7.058  -5.386  -1.411
  532   2HB   LEU  70          1HB       LEU  70   7.015  -5.214  -3.167
  533    HG   LEU  70           HG       LEU  70   4.339  -5.029  -2.300
  534   1HD1  LEU  70          1HD1      LEU  70   5.590  -4.556  -0.011
  535   2HD1  LEU  70          3HD1      LEU  70   6.041  -3.025  -0.820
  536   3HD1  LEU  70          2HD1      LEU  70   4.371  -3.419  -0.523
  537   1HD2  LEU  70          3HD2      LEU  70   5.893  -3.928  -4.098
  538   2HD2  LEU  70          2HD2      LEU  70   4.464  -3.066  -3.572
  539   3HD2  LEU  70          1HD2      LEU  70   6.057  -2.666  -2.894
  540    H    GLN  71           H        GLN  71   4.411  -8.861  -2.659
  541    HA   GLN  71           HA       GLN  71   2.447  -8.188  -0.721
  542   1HB   GLN  71          2HB       GLN  71   2.581  -9.919  -2.799
  543   2HB   GLN  71          1HB       GLN  71   2.711 -11.068  -1.445
  544   1HG   GLN  71          2HG       GLN  71   0.745  -9.877  -0.372
  545   2HG   GLN  71          1HG       GLN  71   0.485  -9.124  -1.962
  546   1HE2  GLN  71          1HE2      GLN  71  -0.036 -13.172  -1.448
  547   2HE2  GLN  71          2HE2      GLN  71   0.932 -12.316  -0.347
  548    H    GLY  72           H        GLY  72   5.451  -8.935   0.186
  549   1HA   GLY  72          2HA       GLY  72   4.681  -9.904   2.796
  550   2HA   GLY  72          1HA       GLY  72   5.507 -11.144   1.871
  551    H    PHE  73           H        PHE  73   5.883  -7.580   2.138
  552    HA   PHE  73           HA       PHE  73   8.777  -7.861   2.113
  553   1HB   PHE  73          2HB       PHE  73   7.495  -5.816   1.294
  554   2HB   PHE  73          1HB       PHE  73   7.276  -5.366   2.987
  555    HD1  PHE  73           HD2      PHE  73   9.960  -6.875   0.885
  556    HD2  PHE  73           HD1      PHE  73   8.928  -3.713   3.647
  557    HE1  PHE  73           HE2      PHE  73  12.225  -6.011   0.774
  558    HE2  PHE  73           HE1      PHE  73  11.215  -2.877   3.521
  559    HZ   PHE  73           HZ       PHE  73  12.928  -3.974   2.099
  560    H    LYS  74           H        LYS  74   8.942  -9.442   3.650
  561    HA   LYS  74           HA       LYS  74   8.274  -8.995   6.435
  562   1HB   LYS  74          2HB       LYS  74   9.933 -10.956   6.715
  563   2HB   LYS  74          1HB       LYS  74   8.425 -11.352   5.872
  564   1HG   LYS  74          2HG       LYS  74   9.553 -11.596   3.849
  565   2HG   LYS  74          1HG       LYS  74  10.746 -10.358   4.266
  566   1HD   LYS  74          2HD       LYS  74  11.882 -12.460   4.239
  567   2HD   LYS  74          1HD       LYS  74  11.731 -12.013   5.931
  568   1HE   LYS  74          2HE       LYS  74  11.071 -14.373   5.468
  569   2HE   LYS  74          1HE       LYS  74   9.708 -13.414   6.122
  570   1HZ   LYS  74          1HZ       LYS  74  10.123 -13.669   3.247
  571   2HZ   LYS  74          3HZ       LYS  74   9.371 -14.920   4.067
  572   3HZ   LYS  74          2HZ       LYS  74   8.669 -13.362   4.090
  573    H    ILE  75           H        ILE  75   9.167  -7.101   6.991
  574    HA   ILE  75           HA       ILE  75  11.885  -6.283   6.460
  575    HB   ILE  75           HB       ILE  75   9.710  -5.587   8.419
  576   1HG1  ILE  75          2HG1      ILE  75  10.664  -3.244   7.659
  577   2HG1  ILE  75          1HG1      ILE  75  11.594  -4.192   6.510
  578   1HG2  ILE  75          2HG2      ILE  75  12.614  -5.227   8.922
  579   2HG2  ILE  75          1HG2      ILE  75  11.577  -3.881   9.268
  580   3HG2  ILE  75          3HG2      ILE  75  11.324  -5.428  10.135
  581   1HD1  ILE  75          2HD1      ILE  75   9.467  -5.121   5.575
  582   2HD1  ILE  75          1HD1      ILE  75   8.556  -4.139   6.738
  583   3HD1  ILE  75          3HD1      ILE  75   9.545  -3.390   5.447
  584    H    THR  76           H        THR  76  10.496  -8.491   8.697
  585    HA   THR  76           HA       THR  76  13.256  -9.332   9.369
  586    HB   THR  76           HB       THR  76  11.131  -9.134  11.547
  587    HG1  THR  76          1HG       THR  76  12.765  -7.355  12.122
  588   1HG2  THR  76          1HG2      THR  76  12.901 -10.772  11.974
  589   2HG2  THR  76          3HG2      THR  76  14.124  -9.503  11.749
  590   3HG2  THR  76          2HG2      THR  76  12.945  -9.433  13.081
  591    H    GLN  77           H        GLN  77   9.905 -10.146   9.475
  592    HA   GLN  77           HA       GLN  77   9.258 -12.213   8.340
  593   1HB   GLN  77          2HB       GLN  77  11.261 -13.559   8.570
  594   2HB   GLN  77          1HB       GLN  77  11.268 -13.360  10.339
  595   1HG   GLN  77          2HG       GLN  77   9.484 -14.747  10.635
  596   2HG   GLN  77          1HG       GLN  77   8.845 -14.408   8.998
  597   1HE2  GLN  77          2HE2      GLN  77  10.434 -17.215   7.586
  598   2HE2  GLN  77          1HE2      GLN  77   9.343 -15.914   7.412
  599    H    ASN  78           H        ASN  78   9.998 -11.670  11.676
  600    HA   ASN  78           HA       ASN  78   7.402 -12.538  12.639
  601   1HB   ASN  78          2HB       ASN  78   9.857 -12.282  13.838
  602   2HB   ASN  78          1HB       ASN  78   9.163 -10.722  14.249
  603   1HD2  ASN  78          2HD2      ASN  78   8.175 -13.662  16.606
  604   2HD2  ASN  78          1HD2      ASN  78   9.657 -13.437  15.862
  605    H    ASN  79           H        ASN  79   9.130  -9.741  11.640
  606    HA   ASN  79           HA       ASN  79   6.814  -7.928  11.958
  607   1HB   ASN  79          2HB       ASN  79   9.763  -7.334  11.462
  608   2HB   ASN  79          1HB       ASN  79   8.544  -6.079  11.616
  609   1HD2  ASN  79          1HD2      ASN  79   9.353  -6.044  15.064
  610   2HD2  ASN  79          2HD2      ASN  79   9.353  -5.133  13.613
  611    H    ALA  80           H        ALA  80   5.668  -7.656  10.008
  612    HA   ALA  80           HA       ALA  80   7.212  -7.791   7.508
  613   1HB   ALA  80          1HB       ALA  80   4.731  -9.324   8.261
  614   2HB   ALA  80          3HB       ALA  80   5.025  -8.904   6.567
  615   3HB   ALA  80          2HB       ALA  80   6.178  -9.928   7.417
  616    H    MET  81           H        MET  81   6.543  -6.186   6.170
  617    HA   MET  81           HA       MET  81   5.388  -3.846   6.861
  618   1HB   MET  81          2HB       MET  81   5.794  -3.431   4.786
  619   2HB   MET  81          1HB       MET  81   6.146  -5.120   4.516
  620   1HG   MET  81          2HG       MET  81   3.271  -4.096   4.285
  621   2HG   MET  81          1HG       MET  81   4.395  -4.051   2.972
  622   1HE   MET  81          1HE       MET  81   1.894  -5.201   2.624
  623   2HE   MET  81          3HE       MET  81   1.707  -6.976   2.541
  624   3HE   MET  81          2HE       MET  81   1.513  -6.145   4.049
  625    H    LYS  82           H        LYS  82   3.271  -2.838   6.621
  626    HA   LYS  82           HA       LYS  82   1.023  -4.620   6.048
  627   1HB   LYS  82          2HB       LYS  82   1.059  -2.768   8.467
  628   2HB   LYS  82          1HB       LYS  82  -0.340  -3.594   7.848
  629   1HG   LYS  82          2HG       LYS  82   2.292  -4.943   8.497
  630   2HG   LYS  82          1HG       LYS  82   1.013  -4.790   9.706
  631   1HD   LYS  82          2HD       LYS  82   0.559  -6.137   7.000
  632   2HD   LYS  82          1HD       LYS  82   1.144  -7.036   8.376
  633   1HE   LYS  82          2HE       LYS  82  -1.154  -7.265   8.590
  634   2HE   LYS  82          1HE       LYS  82  -0.736  -5.888   9.660
  635   1HZ   LYS  82          1HZ       LYS  82  -1.436  -5.150   6.952
  636   2HZ   LYS  82          3HZ       LYS  82  -2.711  -5.831   7.858
  637   3HZ   LYS  82          2HZ       LYS  82  -1.915  -4.475   8.424
  638    H    ILE  83           H        ILE  83   0.119  -3.919   4.420
  639    HA   ILE  83           HA       ILE  83  -0.022  -1.122   3.423
  640    HB   ILE  83           HB       ILE  83   0.843  -3.693   2.094
  641   1HG1  ILE  83          2HG1      ILE  83   1.967  -0.856   2.006
  642   2HG1  ILE  83          1HG1      ILE  83   2.407  -2.011   3.251
  643   1HG2  ILE  83          2HG2      ILE  83  -0.340  -1.182   0.932
  644   2HG2  ILE  83          1HG2      ILE  83   0.698  -2.261  -0.017
  645   3HG2  ILE  83          3HG2      ILE  83  -0.838  -2.843   0.619
  646   1HD1  ILE  83          3HD1      ILE  83   3.047  -3.606   1.398
  647   2HD1  ILE  83          2HD1      ILE  83   2.985  -2.194   0.318
  648   3HD1  ILE  83          1HD1      ILE  83   4.043  -2.212   1.736
  649    H    SER  84           H        SER  84  -2.236  -0.761   3.703
  650    HA   SER  84           HA       SER  84  -4.184  -2.893   3.126
  651   1HB   SER  84          2HB       SER  84  -4.265  -2.102   5.525
  652   2HB   SER  84          1HB       SER  84  -4.705  -0.499   4.880
  653    HG   SER  84           HG       SER  84  -6.108  -2.607   3.839
  654    H    PHE  85           H        PHE  85  -5.195  -2.412   1.211
  655    HA   PHE  85           HA       PHE  85  -4.830  -0.251  -0.464
  656   1HB   PHE  85          2HB       PHE  85  -6.893  -2.314  -0.114
  657   2HB   PHE  85          1HB       PHE  85  -7.206  -0.967  -1.241
  658    HD1  PHE  85           HD1      PHE  85  -4.916  -3.805  -0.483
  659    HD2  PHE  85           HD2      PHE  85  -6.066  -0.854  -3.376
  660    HE1  PHE  85           HE1      PHE  85  -3.501  -4.934  -2.226
  661    HE2  PHE  85           HE2      PHE  85  -4.704  -1.935  -5.057
  662    HZ   PHE  85           HZ       PHE  85  -3.383  -4.028  -4.481
  663    H    ALA  86           H        ALA  86  -6.800   1.318  -1.011
  664    HA   ALA  86           HA       ALA  86  -7.495   2.734   1.369
  665   1HB   ALA  86          1HB       ALA  86  -7.878   2.927  -1.484
  666   2HB   ALA  86          3HB       ALA  86  -9.394   3.326  -0.624
  667   3HB   ALA  86          2HB       ALA  86  -7.912   4.238  -0.299
  668    H    LYS  87           H        LYS  87  -8.590  -0.263   0.209
  669    HA   LYS  87           HA       LYS  87 -11.147  -0.702   0.264
  670   1HB   LYS  87          2HB       LYS  87  -9.989  -2.647   0.362
  671   2HB   LYS  87          1HB       LYS  87  -8.973  -2.151   1.687
  672   1HG   LYS  87          2HG       LYS  87 -10.639  -2.532   3.314
  673   2HG   LYS  87          1HG       LYS  87 -11.959  -2.402   2.117
  674   1HD   LYS  87          2HD       LYS  87 -11.253  -4.613   1.192
  675   2HD   LYS  87          1HD       LYS  87  -9.889  -4.614   2.330
  676   1HE   LYS  87          2HE       LYS  87 -11.081  -5.146   4.086
  677   2HE   LYS  87          1HE       LYS  87 -12.416  -4.101   3.638
  678   1HZ   LYS  87          2HZ       LYS  87 -11.837  -6.734   2.386
  679   2HZ   LYS  87          1HZ       LYS  87 -13.026  -6.473   3.605
  680   3HZ   LYS  87          3HZ       LYS  87 -13.231  -5.760   2.104
  681    H    LYS  88           H        LYS  88 -12.402   0.801   1.045
  682    HA   LYS  88           HA       LYS  88 -12.666   1.145   3.986
  683   1HB   LYS  88          2HB       LYS  88 -13.184   3.520   3.363
  684   2HB   LYS  88          1HB       LYS  88 -11.498   3.098   3.037
  685   1HG   LYS  88          2HG       LYS  88 -11.956   3.073   0.671
  686   2HG   LYS  88          1HG       LYS  88 -13.695   2.821   1.007
  687   1HD   LYS  88          2HD       LYS  88 -13.665   5.063   0.418
  688   2HD   LYS  88          1HD       LYS  88 -13.548   5.086   2.195
  689   1HE   LYS  88          2HE       LYS  88 -10.943   4.879   1.608
  690   2HE   LYS  88          1HE       LYS  88 -11.512   5.827   0.209
  691   1HZ   LYS  88          2HZ       LYS  88 -12.104   6.459   3.087
  692   2HZ   LYS  88          1HZ       LYS  88 -10.852   7.187   2.153
  693   3HZ   LYS  88          3HZ       LYS  88 -12.487   7.401   1.750
   
  No H/Q in entry =         693
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1 -28.779  -4.085  -2.321
    2   2H    MET   1          3H        MET   1 -27.681  -3.239  -3.280
    3   3H    MET   1          2H        MET   1 -28.570  -4.515  -3.967
    4    HA   MET   1           HA       MET   1 -27.080  -6.014  -3.287
    5   1HB   MET   1          2HB       MET   1 -25.674  -3.450  -2.466
    6   2HB   MET   1          1HB       MET   1 -24.939  -5.066  -2.298
    7   1HG   MET   1          2HG       MET   1 -24.806  -5.327  -4.586
    8   2HG   MET   1          1HG       MET   1 -26.133  -4.214  -4.927
    9   1HE   MET   1          3HE       MET   1 -26.150  -1.822  -4.248
   10   2HE   MET   1          2HE       MET   1 -24.893  -0.778  -4.896
   11   3HE   MET   1          1HE       MET   1 -25.714  -1.939  -5.956
   12    H    ALA   2           H        ALA   2 -25.929  -4.287  -0.474
   13    HA   ALA   2           HA       ALA   2 -26.202  -4.719   1.765
   14   1HB   ALA   2          2HB       ALA   2 -28.585  -4.113   1.021
   15   2HB   ALA   2          1HB       ALA   2 -28.942  -5.823   1.348
   16   3HB   ALA   2          3HB       ALA   2 -28.338  -4.806   2.629
   17    HA   PRO   3           HA       PRO   3 -25.420  -9.198   0.822
   18   1HB   PRO   3          2HB       PRO   3 -22.796  -9.138   1.656
   19   2HB   PRO   3          1HB       PRO   3 -23.279  -8.722  -0.010
   20   1HG   PRO   3          2HG       PRO   3 -22.475  -6.843   2.174
   21   2HG   PRO   3          1HG       PRO   3 -22.282  -6.671   0.446
   22   1HD   PRO   3          2HD       PRO   3 -24.307  -5.420   1.910
   23   2HD   PRO   3          1HD       PRO   3 -24.295  -5.653   0.150
   24    H    ALA   4           H        ALA   4 -24.846  -7.063   3.594
   25    HA   ALA   4           HA       ALA   4 -25.848  -9.091   5.430
   26   1HB   ALA   4          3HB       ALA   4 -23.359  -9.665   5.032
   27   2HB   ALA   4          2HB       ALA   4 -22.988  -8.237   6.016
   28   3HB   ALA   4          1HB       ALA   4 -23.906  -9.538   6.719
   29    H    GLN   5           H        GLN   5 -23.570  -6.407   5.689
   30    HA   GLN   5           HA       GLN   5 -25.460  -5.078   7.545
   31   1HB   GLN   5          2HB       GLN   5 -22.492  -5.222   7.314
   32   2HB   GLN   5          1HB       GLN   5 -23.124  -3.654   7.742
   33   1HG   GLN   5          2HG       GLN   5 -22.792  -4.747   9.851
   34   2HG   GLN   5          1HG       GLN   5 -24.542  -4.830   9.526
   35   1HE2  GLN   5          2HE2      GLN   5 -24.484  -8.357   9.817
   36   2HE2  GLN   5          1HE2      GLN   5 -25.292  -6.891  10.121
   37    HA   PRO   6           HA       PRO   6 -26.292  -2.049   4.444
   38   1HB   PRO   6          2HB       PRO   6 -26.679   0.145   6.031
   39   2HB   PRO   6          1HB       PRO   6 -27.876  -1.129   5.731
   40   1HG   PRO   6          2HG       PRO   6 -25.984  -0.788   8.107
   41   2HG   PRO   6          1HG       PRO   6 -27.705  -1.300   8.165
   42   1HD   PRO   6          2HD       PRO   6 -25.686  -3.062   8.361
   43   2HD   PRO   6          1HD       PRO   6 -27.213  -3.457   7.529
   44    H    LEU   7           H        LEU   7 -24.563  -1.499   3.269
   45    HA   LEU   7           HA       LEU   7 -22.648  -0.395   2.553
   46   1HB   LEU   7          2HB       LEU   7 -23.812   1.345   4.617
   47   2HB   LEU   7          1HB       LEU   7 -22.080   1.496   4.575
   48    HG   LEU   7           HG       LEU   7 -22.445   1.601   1.949
   49   1HD1  LEU   7          1HD1      LEU   7 -24.960   1.121   2.481
   50   2HD1  LEU   7          3HD1      LEU   7 -25.020   2.899   2.666
   51   3HD1  LEU   7          2HD1      LEU   7 -24.511   2.184   1.153
   52   1HD2  LEU   7          3HD2      LEU   7 -23.001   3.811   3.908
   53   2HD2  LEU   7          2HD2      LEU   7 -21.517   3.538   3.003
   54   3HD2  LEU   7          1HD2      LEU   7 -22.965   4.051   2.148
   55    H    SER   8           H        SER   8 -20.475   0.579   4.139
   56    HA   SER   8           HA       SER   8 -18.591  -0.133   5.302
   57   1HB   SER   8          2HB       SER   8 -20.519  -1.128   6.884
   58   2HB   SER   8          1HB       SER   8 -19.876  -2.652   6.312
   59    HG   SER   8           HG       SER   8 -17.771  -1.857   6.933
   60    H    GLU   9           H        GLU   9 -17.890  -0.467   3.089
   61    HA   GLU   9           HA       GLU   9 -17.138  -3.331   2.619
   62   1HB   GLU   9          2HB       GLU   9 -17.375  -2.430   0.108
   63   2HB   GLU   9          1HB       GLU   9 -18.783  -3.152   0.933
   64   1HG   GLU   9          2HG       GLU   9 -19.711  -1.016   1.398
   65   2HG   GLU   9          1HG       GLU   9 -18.200  -0.205   1.056
   66    H    ASN  10           H        ASN  10 -15.566  -3.105   0.489
   67    HA   ASN  10           HA       ASN  10 -13.767  -0.721   0.943
   68   1HB   ASN  10          2HB       ASN  10 -13.130  -3.578   1.272
   69   2HB   ASN  10          1HB       ASN  10 -11.900  -2.549   0.477
   70   1HD2  ASN  10          1HD2      ASN  10 -11.451  -0.569   3.484
   71   2HD2  ASN  10          2HD2      ASN  10 -11.385  -0.475   1.776
   72    HA   PRO  11           HA       PRO  11 -14.866  -1.188  -3.453
   73   1HB   PRO  11          2HB       PRO  11 -15.045   1.781  -3.141
   74   2HB   PRO  11          1HB       PRO  11 -16.197   0.621  -3.762
   75   1HG   PRO  11          2HG       PRO  11 -16.544   1.917  -1.365
   76   2HG   PRO  11          1HG       PRO  11 -17.098   0.237  -1.558
   77   1HD   PRO  11          2HD       PRO  11 -14.495   1.231  -0.427
   78   2HD   PRO  11          1HD       PRO  11 -15.588  -0.018   0.221
   79    HA   PRO  12           HA       PRO  12 -11.165   0.221  -5.363
   80   1HB   PRO  12          2HB       PRO  12 -12.030   2.868  -6.451
   81   2HB   PRO  12          1HB       PRO  12 -11.380   1.412  -7.287
   82   1HG   PRO  12          2HG       PRO  12 -14.006   2.046  -7.430
   83   2HG   PRO  12          1HG       PRO  12 -13.477   0.343  -7.177
   84   1HD   PRO  12          2HD       PRO  12 -14.437   2.256  -5.017
   85   2HD   PRO  12          1HD       PRO  12 -14.950   0.562  -5.363
   86    H    ASN  13           H        ASN  13 -10.354   0.607  -3.169
   87    HA   ASN  13           HA       ASN  13 -10.231   3.173  -2.019
   88   1HB   ASN  13          2HB       ASN  13  -7.818   1.518  -1.433
   89   2HB   ASN  13          1HB       ASN  13  -8.952   2.255  -0.334
   90   1HD2  ASN  13          2HD2      ASN  13 -10.828  -0.829  -0.055
   91   2HD2  ASN  13          1HD2      ASN  13 -10.826   0.829   0.308
   92    H    HIS  14           H        HIS  14  -8.002   1.609  -4.170
   93    HA   HIS  14           HA       HIS  14  -6.048   2.244  -5.239
   94   1HB   HIS  14          2HB       HIS  14  -6.022   4.547  -6.198
   95   2HB   HIS  14          1HB       HIS  14  -7.437   3.617  -6.651
   96    HD1  HIS  14           HD1      HIS  14  -6.136   6.382  -4.518
   97    HD2  HIS  14           HD2      HIS  14  -9.894   5.007  -5.591
   98    HE1  HIS  14           HE1      HIS  14  -7.772   8.148  -3.722
   99    HE2  HIS  14           HE2      HIS  14 -10.076   7.323  -4.374
  100    H    ILE  15           H        ILE  15  -6.254   2.757  -2.218
  101    HA   ILE  15           HA       ILE  15  -3.774   4.366  -2.081
  102    HB   ILE  15           HB       ILE  15  -6.293   5.170  -0.677
  103   1HG1  ILE  15          2HG1      ILE  15  -3.900   6.409  -2.047
  104   2HG1  ILE  15          1HG1      ILE  15  -5.583   6.403  -2.616
  105   1HG2  ILE  15          1HG2      ILE  15  -3.445   5.202   0.273
  106   2HG2  ILE  15          3HG2      ILE  15  -4.618   6.386   0.875
  107   3HG2  ILE  15          2HG2      ILE  15  -4.842   4.690   1.208
  108   1HD1  ILE  15          3HD1      ILE  15  -5.790   7.663  -0.207
  109   2HD1  ILE  15          2HD1      ILE  15  -4.147   8.121  -0.624
  110   3HD1  ILE  15          1HD1      ILE  15  -5.456   8.584  -1.707
  111    H    LEU  16           H        LEU  16  -2.438   2.871  -1.138
  112    HA   LEU  16           HA       LEU  16  -3.463   1.311   1.149
  113   1HB   LEU  16          2HB       LEU  16  -1.127   0.603  -0.700
  114   2HB   LEU  16          1HB       LEU  16  -1.894  -0.408   0.541
  115    HG   LEU  16           HG       LEU  16  -4.070  -0.051  -0.740
  116   1HD1  LEU  16          2HD1      LEU  16  -2.323   1.406  -2.341
  117   2HD1  LEU  16          1HD1      LEU  16  -2.475  -0.111  -3.255
  118   3HD1  LEU  16          3HD1      LEU  16  -3.911   0.810  -2.878
  119   1HD2  LEU  16          2HD2      LEU  16  -2.792  -2.158  -0.396
  120   2HD2  LEU  16          1HD2      LEU  16  -3.659  -2.116  -1.954
  121   3HD2  LEU  16          3HD2      LEU  16  -1.934  -1.810  -1.896
  122    H    PHE  17           H        PHE  17  -2.910   2.140   2.907
  123    HA   PHE  17           HA       PHE  17  -0.293   3.375   3.306
  124   1HB   PHE  17          2HB       PHE  17  -1.766   5.253   3.326
  125   2HB   PHE  17          1HB       PHE  17  -2.980   4.332   4.217
  126    HD1  PHE  17           HD2      PHE  17   0.643   5.246   4.570
  127    HD2  PHE  17           HD1      PHE  17  -3.085   4.641   6.636
  128    HE1  PHE  17           HE2      PHE  17   1.710   5.867   6.674
  129    HE2  PHE  17           HE1      PHE  17  -1.993   5.272   8.762
  130    HZ   PHE  17           HZ       PHE  17   0.405   5.884   8.785
  131    H    LEU  18           H        LEU  18   0.706   2.721   5.001
  132    HA   LEU  18           HA       LEU  18  -0.190   1.860   7.371
  133   1HB   LEU  18          2HB       LEU  18  -0.564  -0.547   5.702
  134   2HB   LEU  18          1HB       LEU  18   0.171  -0.765   7.224
  135    HG   LEU  18           HG       LEU  18  -2.346   0.772   7.107
  136   1HD1  LEU  18          1HD1      LEU  18  -2.200  -1.869   6.668
  137   2HD1  LEU  18          3HD1      LEU  18  -1.559  -1.886   8.309
  138   3HD1  LEU  18          2HD1      LEU  18  -3.199  -1.377   8.062
  139   1HD2  LEU  18          3HD2      LEU  18  -0.245   0.732   8.971
  140   2HD2  LEU  18          2HD2      LEU  18  -1.910   1.364   9.131
  141   3HD2  LEU  18          1HD2      LEU  18  -1.527  -0.261   9.632
  142    H    THR  19           H        THR  19   1.678  -0.056   7.915
  143    HA   THR  19           HA       THR  19   4.198   1.366   7.485
  144    HB   THR  19           HB       THR  19   4.352   2.271   9.677
  145    HG1  THR  19          1HG       THR  19   3.981   0.759  11.197
  146   1HG2  THR  19          2HG2      THR  19   2.309   3.134   8.451
  147   2HG2  THR  19          1HG2      THR  19   1.380   2.089   9.517
  148   3HG2  THR  19          3HG2      THR  19   2.343   3.391  10.206
  149    H    ASN  20           H        ASN  20   5.666   0.219   9.076
  150    HA   ASN  20           HA       ASN  20   6.193  -1.559  10.424
  151   1HB   ASN  20          2HB       ASN  20   3.962  -2.691  10.115
  152   2HB   ASN  20          1HB       ASN  20   4.643  -3.490   8.679
  153   1HD2  ASN  20          2HD2      ASN  20   7.061  -5.207  10.917
  154   2HD2  ASN  20          1HD2      ASN  20   7.143  -4.382   9.448
  155    H    LEU  21           H        LEU  21   7.455  -0.128   8.522
  156    HA   LEU  21           HA       LEU  21   8.694  -2.157   6.788
  157   1HB   LEU  21          2HB       LEU  21   9.252   0.761   6.588
  158   2HB   LEU  21          1HB       LEU  21   9.094  -0.504   5.332
  159    HG   LEU  21           HG       LEU  21   6.727   0.534   6.891
  160   1HD1  LEU  21          1HD1      LEU  21   8.004   2.057   5.135
  161   2HD1  LEU  21          3HD1      LEU  21   6.921   1.121   4.054
  162   3HD1  LEU  21          2HD1      LEU  21   6.280   2.054   5.427
  163   1HD2  LEU  21          3HD2      LEU  21   7.096  -1.473   4.694
  164   2HD2  LEU  21          2HD2      LEU  21   6.296  -1.628   6.241
  165   3HD2  LEU  21          1HD2      LEU  21   5.544  -0.648   5.013
  166    HA   PRO  22           HA       PRO  22  12.736  -2.066   8.587
  167   1HB   PRO  22          2HB       PRO  22  14.258  -1.410   6.293
  168   2HB   PRO  22          1HB       PRO  22  13.797  -2.992   6.867
  169   1HG   PRO  22          2HG       PRO  22  12.883  -1.696   4.478
  170   2HG   PRO  22          1HG       PRO  22  12.377  -3.264   5.150
  171   1HD   PRO  22          2HD       PRO  22  10.997  -0.672   5.335
  172   2HD   PRO  22          1HD       PRO  22  10.307  -2.267   5.594
  173    H    GLU  23           H        GLU  23  15.043  -0.761   8.283
  174    HA   GLU  23           HA       GLU  23  14.340   2.107   8.865
  175   1HB   GLU  23          2HB       GLU  23  15.553   0.437  10.505
  176   2HB   GLU  23          1HB       GLU  23  16.977   0.942   9.593
  177   1HG   GLU  23          2HG       GLU  23  16.855   3.081  10.207
  178   2HG   GLU  23          1HG       GLU  23  15.122   3.033  10.596
  179    H    GLU  24           H        GLU  24  16.218   0.025   6.839
  180    HA   GLU  24           HA       GLU  24  17.794   2.296   5.777
  181   1HB   GLU  24          2HB       GLU  24  19.035   0.676   4.596
  182   2HB   GLU  24          1HB       GLU  24  18.797   0.068   6.228
  183   1HG   GLU  24          2HG       GLU  24  16.536  -0.883   4.923
  184   2HG   GLU  24          1HG       GLU  24  17.814  -1.016   3.682
  185    H    THR  25           H        THR  25  14.843   0.878   5.068
  186    HA   THR  25           HA       THR  25  14.347   0.703   2.413
  187    HB   THR  25           HB       THR  25  12.386   0.538   3.573
  188    HG1  THR  25          1HG       THR  25  11.892   3.206   3.344
  189   1HG2  THR  25          2HG2      THR  25  13.585   2.643   5.259
  190   2HG2  THR  25          1HG2      THR  25  11.815   2.517   5.229
  191   3HG2  THR  25          3HG2      THR  25  12.842   1.157   5.759
  192    H    ASN  26           H        ASN  26  14.057   2.081   0.607
  193    HA   ASN  26           HA       ASN  26  14.847   4.911   1.045
  194   1HB   ASN  26          2HB       ASN  26  16.625   3.972  -0.119
  195   2HB   ASN  26          1HB       ASN  26  15.590   2.758  -0.866
  196   1HD2  ASN  26          2HD2      ASN  26  16.617   4.872  -3.609
  197   2HD2  ASN  26          1HD2      ASN  26  17.221   3.630  -2.621
  198    H    GLU  27           H        GLU  27  13.570   6.499   0.009
  199    HA   GLU  27           HA       GLU  27  10.804   5.851  -0.699
  200   1HB   GLU  27          2HB       GLU  27  11.173   7.885   0.326
  201   2HB   GLU  27          1HB       GLU  27  12.233   8.492  -0.987
  202   1HG   GLU  27          2HG       GLU  27   9.922   7.855  -2.336
  203   2HG   GLU  27          1HG       GLU  27   9.294   8.226  -0.747
  204    H    LEU  28           H        LEU  28  13.766   6.663  -2.732
  205    HA   LEU  28           HA       LEU  28  12.284   6.864  -5.205
  206   1HB   LEU  28          2HB       LEU  28  15.055   5.944  -5.527
  207   2HB   LEU  28          1HB       LEU  28  14.200   7.349  -6.169
  208    HG   LEU  28           HG       LEU  28  15.604   7.146  -3.514
  209   1HD1  LEU  28          3HD1      LEU  28  16.020   8.791  -5.981
  210   2HD1  LEU  28          2HD1      LEU  28  16.861   9.048  -4.433
  211   3HD1  LEU  28          1HD1      LEU  28  17.077   7.550  -5.286
  212   1HD2  LEU  28          1HD2      LEU  28  13.292   8.761  -4.201
  213   2HD2  LEU  28          3HD2      LEU  28  14.362   8.868  -2.769
  214   3HD2  LEU  28          2HD2      LEU  28  14.723   9.788  -4.221
  215    H    MET  29           H        MET  29  13.640   4.424  -3.166
  216    HA   MET  29           HA       MET  29  13.814   2.241  -4.976
  217   1HB   MET  29          2HB       MET  29  14.675   2.642  -2.534
  218   2HB   MET  29          1HB       MET  29  13.160   1.986  -1.998
  219   1HG   MET  29          2HG       MET  29  14.815   0.533  -4.036
  220   2HG   MET  29          1HG       MET  29  15.332   0.535  -2.326
  221   1HE   MET  29          2HE       MET  29  14.683  -2.058  -3.888
  222   2HE   MET  29          1HE       MET  29  15.086  -2.045  -2.196
  223   3HE   MET  29          3HE       MET  29  13.650  -2.952  -2.744
  224    H    LEU  30           H        LEU  30  11.570   2.961  -2.383
  225    HA   LEU  30           HA       LEU  30   9.469   1.070  -3.024
  226   1HB   LEU  30          2HB       LEU  30   9.832   3.616  -1.389
  227   2HB   LEU  30          1HB       LEU  30   8.200   3.031  -1.700
  228    HG   LEU  30           HG       LEU  30   8.610   2.074   0.288
  229   1HD1  LEU  30          2HD1      LEU  30   8.402   0.181  -1.448
  230   2HD1  LEU  30          1HD1      LEU  30  10.139   0.081  -1.431
  231   3HD1  LEU  30          3HD1      LEU  30   9.252  -0.355   0.021
  232   1HD2  LEU  30          3HD2      LEU  30  10.878   2.945   0.583
  233   2HD2  LEU  30          2HD2      LEU  30  10.788   1.246   1.095
  234   3HD2  LEU  30          1HD2      LEU  30  11.566   1.677  -0.430
  235    H    SER  31           H        SER  31  10.249   4.307  -3.845
  236    HA   SER  31           HA       SER  31   7.954   5.319  -5.077
  237   1HB   SER  31          2HB       SER  31   9.625   6.930  -4.937
  238   2HB   SER  31          1HB       SER  31  10.812   5.783  -5.633
  239    HG   SER  31           HG       SER  31   9.433   7.660  -6.806
  240    H    MET  32           H        MET  32  10.743   3.648  -6.405
  241    HA   MET  32           HA       MET  32   9.980   3.380  -9.147
  242   1HB   MET  32          2HB       MET  32  12.074   2.454  -7.342
  243   2HB   MET  32          1HB       MET  32  11.704   1.334  -8.622
  244   1HG   MET  32          2HG       MET  32  11.673   3.534 -10.110
  245   2HG   MET  32          1HG       MET  32  12.775   4.098  -8.828
  246   1HE   MET  32          3HE       MET  32  14.887   3.958  -8.996
  247   2HE   MET  32          2HE       MET  32  15.949   3.068 -10.104
  248   3HE   MET  32          1HE       MET  32  14.812   4.302 -10.701
  249    H    LEU  33           H        LEU  33   9.668   1.339  -6.234
  250    HA   LEU  33           HA       LEU  33   8.883  -1.108  -7.507
  251   1HB   LEU  33          2HB       LEU  33   8.959   0.072  -4.756
  252   2HB   LEU  33          1HB       LEU  33   7.803  -1.203  -5.011
  253    HG   LEU  33           HG       LEU  33  10.733  -1.528  -5.833
  254   1HD1  LEU  33          1HD1      LEU  33  10.380  -0.857  -3.348
  255   2HD1  LEU  33          3HD1      LEU  33   9.627  -2.467  -3.187
  256   3HD1  LEU  33          2HD1      LEU  33  11.303  -2.296  -3.727
  257   1HD2  LEU  33          1HD2      LEU  33   8.292  -3.177  -5.569
  258   2HD2  LEU  33          3HD2      LEU  33   9.778  -3.563  -6.494
  259   3HD2  LEU  33          2HD2      LEU  33   9.682  -3.930  -4.794
  260    H    PHE  34           H        PHE  34   7.440   1.708  -6.146
  261    HA   PHE  34           HA       PHE  34   4.743   0.648  -6.462
  262   1HB   PHE  34          2HB       PHE  34   5.740   3.322  -5.493
  263   2HB   PHE  34          1HB       PHE  34   4.009   3.076  -5.805
  264    HD1  PHE  34           HD1      PHE  34   3.747   0.090  -4.946
  265    HD2  PHE  34           HD2      PHE  34   5.809   3.447  -3.196
  266    HE1  PHE  34           HE1      PHE  34   3.596  -0.933  -2.754
  267    HE2  PHE  34           HE2      PHE  34   5.645   2.377  -0.945
  268    HZ   PHE  34           HZ       PHE  34   4.488   0.118  -0.778
  269    H    ASN  35           H        ASN  35   6.997   2.511  -8.191
  270    HA   ASN  35           HA       ASN  35   5.324   3.713 -10.181
  271   1HB   ASN  35          2HB       ASN  35   7.332   4.712 -10.452
  272   2HB   ASN  35          1HB       ASN  35   8.157   3.369  -9.691
  273   1HD2  ASN  35          1HD2      ASN  35   7.477   3.013 -13.752
  274   2HD2  ASN  35          2HD2      ASN  35   6.299   3.764 -12.744
  275    H    GLN  36           H        GLN  36   6.962   0.634  -9.898
  276    HA   GLN  36           HA       GLN  36   6.779  -0.724 -12.278
  277   1HB   GLN  36          2HB       GLN  36   5.791  -1.369  -9.523
  278   2HB   GLN  36          1HB       GLN  36   5.588  -2.585 -10.735
  279   1HG   GLN  36          2HG       GLN  36   8.195  -2.154 -11.184
  280   2HG   GLN  36          1HG       GLN  36   8.121  -1.523  -9.514
  281   1HE2  GLN  36          2HE2      GLN  36   8.827  -5.242  -9.527
  282   2HE2  GLN  36          1HE2      GLN  36   9.493  -3.987 -10.437
  283    H    PHE  37           H        PHE  37   4.089   0.240 -10.361
  284    HA   PHE  37           HA       PHE  37   2.047  -1.109 -11.842
  285   1HB   PHE  37          2HB       PHE  37   1.920   0.620  -9.378
  286   2HB   PHE  37          1HB       PHE  37   0.587  -0.281  -9.999
  287    HD1  PHE  37           HD2      PHE  37   0.913  -2.798 -10.492
  288    HD2  PHE  37           HD1      PHE  37   3.735  -0.583  -8.178
  289    HE1  PHE  37           HE2      PHE  37   1.837  -4.907  -9.662
  290    HE2  PHE  37           HE1      PHE  37   4.698  -2.721  -7.318
  291    HZ   PHE  37           HZ       PHE  37   3.766  -4.835  -8.045
  292    HA   PRO  38           HA       PRO  38   1.554   2.408 -14.785
  293   1HB   PRO  38          2HB       PRO  38  -0.844   1.279 -15.687
  294   2HB   PRO  38          1HB       PRO  38   0.724   1.113 -16.495
  295   1HG   PRO  38          2HG       PRO  38  -0.670  -0.819 -14.694
  296   2HG   PRO  38          1HG       PRO  38   0.492  -1.137 -15.992
  297   1HD   PRO  38          2HD       PRO  38   1.355  -1.437 -13.566
  298   2HD   PRO  38          1HD       PRO  38   2.366  -0.572 -14.744
  299    H    GLY  39           H        GLY  39   0.647   4.130 -13.693
  300   1HA   GLY  39          2HA       GLY  39  -1.509   5.317 -13.304
  301   2HA   GLY  39          1HA       GLY  39  -2.122   3.843 -12.517
  302    H    PHE  40           H        PHE  40   0.934   3.945 -11.672
  303    HA   PHE  40           HA       PHE  40   1.057   4.337  -8.999
  304   1HB   PHE  40          2HB       PHE  40   3.144   4.031  -9.728
  305   2HB   PHE  40          1HB       PHE  40   2.897   4.850 -11.263
  306    HD1  PHE  40           HD1      PHE  40   3.524   5.406  -7.734
  307    HD2  PHE  40           HD2      PHE  40   3.521   7.047 -11.683
  308    HE1  PHE  40           HE1      PHE  40   4.751   7.489  -6.890
  309    HE2  PHE  40           HE2      PHE  40   4.688   9.079 -10.926
  310    HZ   PHE  40           HZ       PHE  40   5.308   9.297  -8.531
  311    H    LYS  41           H        LYS  41   0.467   6.016  -7.654
  312    HA   LYS  41           HA       LYS  41   0.312   8.776  -8.919
  313   1HB   LYS  41          2HB       LYS  41  -1.783   7.231  -8.018
  314   2HB   LYS  41          1HB       LYS  41  -1.570   8.390  -6.734
  315   1HG   LYS  41          2HG       LYS  41  -1.693   9.193  -9.661
  316   2HG   LYS  41          1HG       LYS  41  -3.115   9.093  -8.594
  317   1HD   LYS  41          2HD       LYS  41  -2.120  10.650  -7.018
  318   2HD   LYS  41          1HD       LYS  41  -0.636  10.708  -7.921
  319   1HE   LYS  41          2HE       LYS  41  -2.384  11.348  -9.891
  320   2HE   LYS  41          1HE       LYS  41  -3.253  12.024  -8.547
  321   1HZ   LYS  41          2HZ       LYS  41  -0.383  12.586  -8.869
  322   2HZ   LYS  41          1HZ       LYS  41  -1.534  13.513  -9.730
  323   3HZ   LYS  41          3HZ       LYS  41  -1.530  13.546  -8.059
  324    H    GLU  42           H        GLU  42   0.419   7.330  -5.658
  325    HA   GLU  42           HA       GLU  42   2.236   9.472  -4.820
  326   1HB   GLU  42          2HB       GLU  42  -0.268   9.761  -3.960
  327   2HB   GLU  42          1HB       GLU  42   0.196   8.438  -2.892
  328   1HG   GLU  42          2HG       GLU  42   2.037   9.711  -1.985
  329   2HG   GLU  42          1HG       GLU  42   1.708  11.057  -3.076
  330    H    VAL  43           H        VAL  43   3.769   8.825  -3.487
  331    HA   VAL  43           HA       VAL  43   3.929   6.125  -2.405
  332    HB   VAL  43           HB       VAL  43   6.159   5.749  -3.427
  333   1HG1  VAL  43          2HG1      VAL  43   3.833   6.234  -5.338
  334   2HG1  VAL  43          1HG1      VAL  43   5.282   5.285  -5.708
  335   3HG1  VAL  43          3HG1      VAL  43   4.168   4.787  -4.404
  336   1HG2  VAL  43          3HG2      VAL  43   5.585   8.451  -4.443
  337   2HG2  VAL  43          2HG2      VAL  43   7.150   7.695  -4.117
  338   3HG2  VAL  43          1HG2      VAL  43   6.268   7.407  -5.652
  339    H    ARG  44           H        ARG  44   4.431   6.609  -0.281
  340    HA   ARG  44           HA       ARG  44   6.426   8.765   0.203
  341   1HB   ARG  44          2HB       ARG  44   3.919   9.386   0.346
  342   2HB   ARG  44          1HB       ARG  44   3.916   8.347   1.756
  343   1HG   ARG  44          2HG       ARG  44   6.061  10.466   1.521
  344   2HG   ARG  44          1HG       ARG  44   4.425  10.975   1.966
  345   1HD   ARG  44          2HD       ARG  44   6.256   9.045   3.456
  346   2HD   ARG  44          1HD       ARG  44   5.636  10.566   4.035
  347    HE   ARG  44           HE       ARG  44   4.157   8.026   3.693
  348   1HH1  ARG  44          2HH2      ARG  44   2.836  10.982   3.325
  349   2HH1  ARG  44          1HH2      ARG  44   1.964  11.047   4.807
  350   1HH2  ARG  44          2HH1      ARG  44   3.564   8.312   6.146
  351   2HH2  ARG  44          1HH1      ARG  44   2.338   9.535   6.435
  352    H    LEU  45           H        LEU  45   7.928   7.260   0.640
  353    HA   LEU  45           HA       LEU  45   7.860   6.066   3.309
  354   1HB   LEU  45          2HB       LEU  45   7.429   4.100   2.222
  355   2HB   LEU  45          1HB       LEU  45   8.506   4.462   0.837
  356    HG   LEU  45           HG       LEU  45  10.391   3.875   2.214
  357   1HD1  LEU  45          3HD1      LEU  45   8.416   4.605   4.437
  358   2HD1  LEU  45          2HD1      LEU  45   9.856   3.680   4.798
  359   3HD1  LEU  45          1HD1      LEU  45  10.053   5.264   4.125
  360   1HD2  LEU  45          1HD2      LEU  45   7.852   2.407   2.934
  361   2HD2  LEU  45          3HD2      LEU  45   9.246   1.725   2.048
  362   3HD2  LEU  45          2HD2      LEU  45   9.373   1.980   3.760
  363    H    VAL  46           H        VAL  46   9.271   7.841   3.776
  364    HA   VAL  46           HA       VAL  46  11.976   7.378   2.688
  365    HB   VAL  46           HB       VAL  46  10.686   9.433   1.566
  366   1HG1  VAL  46          1HG1      VAL  46  10.026  10.487   3.666
  367   2HG1  VAL  46          3HG1      VAL  46  11.701  10.713   4.101
  368   3HG1  VAL  46          2HG1      VAL  46  11.071  11.567   2.702
  369   1HG2  VAL  46          2HG2      VAL  46  13.452   8.867   2.054
  370   2HG2  VAL  46          1HG2      VAL  46  12.723   9.862   0.801
  371   3HG2  VAL  46          3HG2      VAL  46  13.210  10.581   2.315
  372    HA   PRO  47           HA       PRO  47  13.169   6.865   6.802
  373   1HB   PRO  47          2HB       PRO  47  15.294   8.586   5.500
  374   2HB   PRO  47          1HB       PRO  47  15.521   7.514   6.908
  375   1HG   PRO  47          2HG       PRO  47  15.782   6.479   4.488
  376   2HG   PRO  47          1HG       PRO  47  14.625   5.596   5.550
  377   1HD   PRO  47          2HD       PRO  47  14.148   7.706   3.397
  378   2HD   PRO  47          1HD       PRO  47  13.268   6.188   3.684
  379    H    GLY  48           H        GLY  48  13.618   7.894   8.784
  380   1HA   GLY  48          2HA       GLY  48  12.854   9.517  10.437
  381   2HA   GLY  48          1HA       GLY  48  13.006  10.744   9.139
  382    H    ARG  49           H        ARG  49  11.381   7.656   9.517
  383    HA   ARG  49           HA       ARG  49   9.078   7.142   9.522
  384   1HB   ARG  49          2HB       ARG  49   8.893   9.500   7.598
  385   2HB   ARG  49          1HB       ARG  49   7.567   8.361   7.940
  386   1HG   ARG  49          2HG       ARG  49   8.892  10.136  10.056
  387   2HG   ARG  49          1HG       ARG  49   7.252  10.260   9.367
  388   1HD   ARG  49          2HD       ARG  49   6.825   8.777  11.211
  389   2HD   ARG  49          1HD       ARG  49   7.325   7.619  10.041
  390    HE   ARG  49           HE       ARG  49   8.985   7.225  11.745
  391   1HH1  ARG  49          2HH2      ARG  49   7.906  10.116  12.799
  392   2HH1  ARG  49          1HH2      ARG  49   9.421  10.828  13.159
  393   1HH2  ARG  49          2HH1      ARG  49  11.280   8.348  11.537
  394   2HH2  ARG  49          1HH1      ARG  49  11.289   9.834  12.465
  395    H    HIS  50           H        HIS  50  11.009   5.880   8.701
  396    HA   HIS  50           HA       HIS  50  10.710   5.194   5.886
  397   1HB   HIS  50          2HB       HIS  50  12.606   3.386   6.936
  398   2HB   HIS  50          1HB       HIS  50  13.037   4.793   6.026
  399    HD1  HIS  50           HD1      HIS  50  11.694   4.237   9.522
  400    HD2  HIS  50           HD2      HIS  50  15.083   5.912   7.777
  401    HE1  HIS  50           HE1      HIS  50  13.098   5.144  11.400
  402    HE2  HIS  50           HE2      HIS  50  15.204   6.196  10.432
  403    H    ASP  51           H        ASP  51   8.864   4.846   8.040
  404    HA   ASP  51           HA       ASP  51   8.588   1.896   8.232
  405   1HB   ASP  51          2HB       ASP  51   9.344   3.344  10.440
  406   2HB   ASP  51          1HB       ASP  51   7.558   3.293  10.546
  407    H    ILE  52           H        ILE  52   6.978   5.033   7.931
  408    HA   ILE  52           HA       ILE  52   4.374   3.678   7.765
  409    HB   ILE  52           HB       ILE  52   3.270   5.706   8.034
  410   1HG1  ILE  52          2HG1      ILE  52   5.900   7.157   8.464
  411   2HG1  ILE  52          1HG1      ILE  52   4.965   7.315   6.947
  412   1HG2  ILE  52          2HG2      ILE  52   4.478   4.415  10.023
  413   2HG2  ILE  52          1HG2      ILE  52   5.391   5.944  10.181
  414   3HG2  ILE  52          3HG2      ILE  52   3.657   5.942  10.310
  415   1HD1  ILE  52          2HD1      ILE  52   3.639   7.686   9.533
  416   2HD1  ILE  52          1HD1      ILE  52   4.491   9.055   8.753
  417   3HD1  ILE  52          3HD1      ILE  52   3.109   8.253   7.983
  418    H    ALA  53           H        ALA  53   3.877   3.171   5.746
  419    HA   ALA  53           HA       ALA  53   4.989   4.810   3.553
  420   1HB   ALA  53          2HB       ALA  53   4.867   1.952   4.016
  421   2HB   ALA  53          1HB       ALA  53   4.171   2.343   2.425
  422   3HB   ALA  53          3HB       ALA  53   5.817   2.841   2.836
  423    H    PHE  54           H        PHE  54   3.634   5.915   2.467
  424    HA   PHE  54           HA       PHE  54   0.771   5.296   2.246
  425   1HB   PHE  54          2HB       PHE  54   2.024   7.574   3.287
  426   2HB   PHE  54          1HB       PHE  54   1.742   8.017   1.629
  427    HD1  PHE  54           HD1      PHE  54  -0.557   7.648   0.620
  428    HD2  PHE  54           HD2      PHE  54   0.211   7.641   4.892
  429    HE1  PHE  54           HE1      PHE  54  -2.970   8.089   1.064
  430    HE2  PHE  54           HE2      PHE  54  -2.157   8.070   5.331
  431    HZ   PHE  54           HZ       PHE  54  -3.778   8.302   3.385
  432    H    VAL  55           H        VAL  55   0.422   4.308   0.481
  433    HA   VAL  55           HA       VAL  55   1.725   5.267  -2.044
  434    HB   VAL  55           HB       VAL  55   0.861   2.427  -1.424
  435   1HG1  VAL  55          1HG1      VAL  55   3.091   3.745  -3.044
  436   2HG1  VAL  55          3HG1      VAL  55   2.706   2.007  -3.011
  437   3HG1  VAL  55          2HG1      VAL  55   1.590   3.125  -3.762
  438   1HG2  VAL  55          1HG2      VAL  55   3.301   3.856  -0.530
  439   2HG2  VAL  55          3HG2      VAL  55   2.130   3.019   0.511
  440   3HG2  VAL  55          2HG2      VAL  55   3.169   2.084  -0.515
  441    H    GLU  56           H        GLU  56   0.177   6.294  -2.997
  442    HA   GLU  56           HA       GLU  56  -2.627   5.471  -3.254
  443   1HB   GLU  56          2HB       GLU  56  -1.989   7.835  -2.674
  444   2HB   GLU  56          1HB       GLU  56  -1.275   7.918  -4.309
  445   1HG   GLU  56          2HG       GLU  56  -3.686   7.029  -5.033
  446   2HG   GLU  56          1HG       GLU  56  -4.134   7.808  -3.536
  447    H    PHE  57           H        PHE  57  -2.841   4.031  -4.840
  448    HA   PHE  57           HA       PHE  57  -1.431   4.263  -7.430
  449   1HB   PHE  57          2HB       PHE  57  -2.979   1.844  -6.537
  450   2HB   PHE  57          1HB       PHE  57  -1.748   2.009  -7.790
  451    HD1  PHE  57           HD2      PHE  57  -2.158   2.233  -4.054
  452    HD2  PHE  57           HD1      PHE  57   0.338   1.299  -7.402
  453    HE1  PHE  57           HE2      PHE  57  -0.403   1.340  -2.513
  454    HE2  PHE  57           HE1      PHE  57   2.081   0.411  -5.861
  455    HZ   PHE  57           HZ       PHE  57   1.682   0.446  -3.434
  456    H    ASP  58           H        ASP  58  -2.715   5.439  -8.667
  457    HA   ASP  58           HA       ASP  58  -5.071   6.331  -8.859
  458   1HB   ASP  58          2HB       ASP  58  -3.554   6.407 -10.788
  459   2HB   ASP  58          1HB       ASP  58  -4.034   4.743 -11.223
  460    H    ASN  59           H        ASN  59  -4.801   2.722  -9.541
  461    HA   ASN  59           HA       ASN  59  -7.629   2.667  -8.730
  462   1HB   ASN  59          2HB       ASN  59  -8.367   1.458 -10.618
  463   2HB   ASN  59          1HB       ASN  59  -7.419   2.763 -11.291
  464   1HD2  ASN  59          1HD2      ASN  59  -5.098   0.570 -12.823
  465   2HD2  ASN  59          2HD2      ASN  59  -5.693   2.160 -12.711
  466    H    GLU  60           H        GLU  60  -8.366   0.738  -8.002
  467    HA   GLU  60           HA       GLU  60  -6.547  -0.615  -6.323
  468   1HB   GLU  60          2HB       GLU  60  -8.573  -2.127  -5.813
  469   2HB   GLU  60          1HB       GLU  60  -8.649  -0.424  -5.509
  470   1HG   GLU  60          2HG       GLU  60 -10.686  -1.511  -6.659
  471   2HG   GLU  60          1HG       GLU  60 -10.072  -0.045  -7.469
  472    H    VAL  61           H        VAL  61  -7.270  -1.422  -9.644
  473    HA   VAL  61           HA       VAL  61  -6.646  -4.250  -9.442
  474    HB   VAL  61           HB       VAL  61  -6.123  -2.460 -11.866
  475   1HG1  VAL  61          1HG1      VAL  61  -6.573  -5.388 -11.372
  476   2HG1  VAL  61          3HG1      VAL  61  -6.908  -4.665 -12.938
  477   3HG1  VAL  61          2HG1      VAL  61  -5.265  -4.608 -12.257
  478   1HG2  VAL  61          3HG2      VAL  61  -8.698  -3.536 -10.685
  479   2HG2  VAL  61          2HG2      VAL  61  -8.459  -2.033 -11.578
  480   3HG2  VAL  61          1HG2      VAL  61  -8.465  -3.604 -12.413
  481    H    GLN  62           H        GLN  62  -4.876  -1.288 -10.292
  482    HA   GLN  62           HA       GLN  62  -2.302  -2.709 -10.106
  483   1HB   GLN  62          2HB       GLN  62  -1.309  -0.374 -10.246
  484   2HB   GLN  62          1HB       GLN  62  -1.959  -1.130 -11.703
  485   1HG   GLN  62          2HG       GLN  62  -3.393   0.605 -11.953
  486   2HG   GLN  62          1HG       GLN  62  -3.969   0.393 -10.320
  487   1HE2  GLN  62          1HE2      GLN  62  -0.676   2.798 -10.352
  488   2HE2  GLN  62          2HE2      GLN  62  -0.502   1.238 -10.942
  489    H    ALA  63           H        ALA  63  -4.275  -0.864  -7.811
  490    HA   ALA  63           HA       ALA  63  -2.121  -0.410  -6.009
  491   1HB   ALA  63          1HB       ALA  63  -4.844   0.224  -6.097
  492   2HB   ALA  63          3HB       ALA  63  -4.669  -0.849  -4.715
  493   3HB   ALA  63          2HB       ALA  63  -3.746   0.670  -4.805
  494    H    GLY  64           H        GLY  64  -4.493  -2.813  -6.758
  495   1HA   GLY  64          2HA       GLY  64  -4.053  -4.640  -4.616
  496   2HA   GLY  64          1HA       GLY  64  -4.953  -4.961  -6.121
  497    H    ALA  65           H        ALA  65  -2.760  -4.109  -7.899
  498    HA   ALA  65           HA       ALA  65  -1.357  -6.567  -8.152
  499   1HB   ALA  65          1HB       ALA  65  -1.870  -4.614  -9.920
  500   2HB   ALA  65          3HB       ALA  65  -0.346  -3.979  -9.348
  501   3HB   ALA  65          2HB       ALA  65  -0.409  -5.614 -10.055
  502    H    ALA  66           H        ALA  66  -0.209  -3.301  -7.365
  503    HA   ALA  66           HA       ALA  66   2.394  -3.730  -6.294
  504   1HB   ALA  66          1HB       ALA  66   0.131  -1.793  -5.541
  505   2HB   ALA  66          3HB       ALA  66   1.730  -1.724  -4.881
  506   3HB   ALA  66          2HB       ALA  66   1.544  -1.421  -6.580
  507    H    ARG  67           H        ARG  67  -0.682  -3.782  -4.642
  508    HA   ARG  67           HA       ARG  67   0.311  -4.271  -2.032
  509   1HB   ARG  67          2HB       ARG  67  -2.029  -3.578  -2.606
  510   2HB   ARG  67          1HB       ARG  67  -2.360  -5.229  -3.110
  511   1HG   ARG  67          2HG       ARG  67  -1.405  -4.388  -0.348
  512   2HG   ARG  67          1HG       ARG  67  -3.097  -4.726  -0.805
  513   1HD   ARG  67          2HD       ARG  67  -1.890  -6.963  -1.656
  514   2HD   ARG  67          1HD       ARG  67  -0.824  -6.602  -0.305
  515    HE   ARG  67           HE       ARG  67  -3.617  -7.470  -0.157
  516   1HH1  ARG  67          2HH1      ARG  67  -3.680  -4.773   1.213
  517   2HH1  ARG  67          1HH1      ARG  67  -3.239  -5.190   2.819
  518   1HH2  ARG  67          1HH2      ARG  67  -1.958  -8.337   2.032
  519   2HH2  ARG  67          2HH2      ARG  67  -2.258  -7.200   3.273
  520    H    ASP  68           H        ASP  68  -1.196  -6.483  -4.325
  521    HA   ASP  68           HA       ASP  68  -0.652  -8.966  -3.107
  522   1HB   ASP  68          2HB       ASP  68  -2.254  -8.448  -4.979
  523   2HB   ASP  68          1HB       ASP  68  -0.858  -8.477  -6.070
  524    H    ALA  69           H        ALA  69   1.438  -6.911  -5.012
  525    HA   ALA  69           HA       ALA  69   3.273  -9.055  -5.610
  526   1HB   ALA  69          3HB       ALA  69   3.648  -6.026  -5.776
  527   2HB   ALA  69          2HB       ALA  69   4.817  -7.231  -6.376
  528   3HB   ALA  69          1HB       ALA  69   3.187  -7.087  -7.083
  529    H    LEU  70           H        LEU  70   3.397  -6.099  -3.504
  530    HA   LEU  70           HA       LEU  70   5.490  -7.552  -1.909
  531   1HB   LEU  70          2HB       LEU  70   5.837  -5.317  -0.826
  532   2HB   LEU  70          1HB       LEU  70   6.259  -5.393  -2.540
  533    HG   LEU  70           HG       LEU  70   3.474  -4.679  -2.128
  534   1HD1  LEU  70          2HD1      LEU  70   4.857  -3.539  -0.171
  535   2HD1  LEU  70          1HD1      LEU  70   5.388  -2.480  -1.463
  536   3HD1  LEU  70          3HD1      LEU  70   3.663  -2.648  -1.121
  537   1HD2  LEU  70          3HD2      LEU  70   5.846  -3.561  -3.717
  538   2HD2  LEU  70          2HD2      LEU  70   4.556  -4.603  -4.290
  539   3HD2  LEU  70          1HD2      LEU  70   4.190  -2.954  -3.852
  540    H    GLN  71           H        GLN  71   2.847  -8.447  -1.828
  541    HA   GLN  71           HA       GLN  71   1.346  -7.318   0.389
  542   1HB   GLN  71          2HB       GLN  71   0.016  -9.445   0.244
  543   2HB   GLN  71          1HB       GLN  71   0.312  -8.811  -1.344
  544   1HG   GLN  71          2HG       GLN  71   1.529 -10.525  -1.970
  545   2HG   GLN  71          1HG       GLN  71   2.483 -10.551  -0.460
  546   1HE2  GLN  71          2HE2      GLN  71  -0.258 -12.591   1.083
  547   2HE2  GLN  71          1HE2      GLN  71   0.552 -11.185   1.512
  548    H    GLY  72           H        GLY  72   4.134  -7.857   1.368
  549   1HA   GLY  72          2HA       GLY  72   3.857  -8.617   3.846
  550   2HA   GLY  72          1HA       GLY  72   3.855 -10.232   3.107
  551    H    PHE  73           H        PHE  73   5.522  -7.154   2.518
  552    HA   PHE  73           HA       PHE  73   7.990  -8.336   1.692
  553   1HB   PHE  73          2HB       PHE  73   7.309  -6.144   0.954
  554   2HB   PHE  73          1HB       PHE  73   7.432  -5.535   2.597
  555    HD1  PHE  73           HD1      PHE  73   9.701  -7.990   0.901
  556    HD2  PHE  73           HD2      PHE  73   9.237  -3.980   2.401
  557    HE1  PHE  73           HE1      PHE  73  12.104  -7.590   0.543
  558    HE2  PHE  73           HE2      PHE  73  11.659  -3.573   2.044
  559    HZ   PHE  73           HZ       PHE  73  13.107  -5.421   1.099
  560    H    LYS  74           H        LYS  74   8.200  -9.854   3.376
  561    HA   LYS  74           HA       LYS  74   8.439  -9.296   6.166
  562   1HB   LYS  74          2HB       LYS  74   9.584 -11.550   6.199
  563   2HB   LYS  74          1HB       LYS  74   8.090 -11.611   5.317
  564   1HG   LYS  74          2HG       LYS  74   9.260 -12.350   3.517
  565   2HG   LYS  74          1HG       LYS  74  10.097 -10.822   3.502
  566   1HD   LYS  74          2HD       LYS  74  11.294 -12.185   5.624
  567   2HD   LYS  74          1HD       LYS  74  11.010 -13.444   4.391
  568   1HE   LYS  74          2HE       LYS  74  12.643 -12.562   2.996
  569   2HE   LYS  74          1HE       LYS  74  12.222 -10.914   3.414
  570   1HZ   LYS  74          1HZ       LYS  74  13.194 -12.181   5.711
  571   2HZ   LYS  74          3HZ       LYS  74  14.343 -12.332   4.488
  572   3HZ   LYS  74          2HZ       LYS  74  13.801 -10.802   4.886
  573    H    ILE  75           H        ILE  75   9.590  -7.386   6.260
  574    HA   ILE  75           HA       ILE  75  12.169  -6.896   5.287
  575    HB   ILE  75           HB       ILE  75  10.914  -6.236   7.983
  576   1HG1  ILE  75          2HG1      ILE  75  11.057  -3.970   6.335
  577   2HG1  ILE  75          1HG1      ILE  75  10.518  -5.261   5.245
  578   1HG2  ILE  75          1HG2      ILE  75  13.537  -5.375   6.837
  579   2HG2  ILE  75          3HG2      ILE  75  12.543  -4.202   7.686
  580   3HG2  ILE  75          2HG2      ILE  75  13.029  -5.719   8.505
  581   1HD1  ILE  75          3HD1      ILE  75   9.002  -5.889   7.344
  582   2HD1  ILE  75          2HD1      ILE  75   9.260  -4.191   7.721
  583   3HD1  ILE  75          1HD1      ILE  75   8.471  -4.670   6.189
  584    H    THR  76           H        THR  76  11.111  -8.920   7.866
  585    HA   THR  76           HA       THR  76  13.933  -9.888   8.216
  586    HB   THR  76           HB       THR  76  11.901  -9.469  10.438
  587    HG1  THR  76          1HG       THR  76  14.206  -7.942   9.864
  588   1HG2  THR  76          1HG2      THR  76  14.253 -11.040  10.431
  589   2HG2  THR  76          3HG2      THR  76  14.571  -9.569  11.400
  590   3HG2  THR  76          2HG2      THR  76  13.204 -10.593  11.772
  591    H    GLN  77           H        GLN  77  10.582 -10.557   8.730
  592    HA   GLN  77           HA       GLN  77   9.973 -12.859   7.675
  593   1HB   GLN  77          2HB       GLN  77  11.992 -14.095   8.645
  594   2HB   GLN  77          1HB       GLN  77  11.460 -13.568  10.241
  595   1HG   GLN  77          2HG       GLN  77   9.344 -14.786   8.684
  596   2HG   GLN  77          1HG       GLN  77  10.789 -15.826   8.733
  597   1HE2  GLN  77          2HE2      GLN  77  10.644 -15.685  12.513
  598   2HE2  GLN  77          1HE2      GLN  77  11.748 -15.219  11.288
  599    H    ASN  78           H        ASN  78  10.285 -11.695  10.921
  600    HA   ASN  78           HA       ASN  78   7.396 -12.126  11.503
  601   1HB   ASN  78          2HB       ASN  78   7.893 -11.733  13.794
  602   2HB   ASN  78          1HB       ASN  78   9.148 -12.790  13.175
  603   1HD2  ASN  78          2HD2      ASN  78  11.806 -10.415  13.590
  604   2HD2  ASN  78          1HD2      ASN  78  11.342 -11.912  12.945
  605    H    ASN  79           H        ASN  79   9.865  -9.808  10.878
  606    HA   ASN  79           HA       ASN  79   8.176  -7.424  11.237
  607   1HB   ASN  79          2HB       ASN  79  10.974  -7.670  10.122
  608   2HB   ASN  79          1HB       ASN  79  10.184  -6.171  10.537
  609   1HD2  ASN  79          2HD2      ASN  79  10.307  -6.760  14.084
  610   2HD2  ASN  79          1HD2      ASN  79   9.299  -6.076  12.870
  611    H    ALA  80           H        ALA  80   6.586  -7.383   9.552
  612    HA   ALA  80           HA       ALA  80   7.692  -7.647   6.798
  613   1HB   ALA  80          2HB       ALA  80   5.852  -9.433   7.971
  614   2HB   ALA  80          1HB       ALA  80   4.861  -8.346   7.051
  615   3HB   ALA  80          3HB       ALA  80   6.171  -9.167   6.234
  616    H    MET  81           H        MET  81   7.021  -6.002   5.523
  617    HA   MET  81           HA       MET  81   5.917  -3.559   6.477
  618   1HB   MET  81          2HB       MET  81   6.863  -3.371   4.423
  619   2HB   MET  81          1HB       MET  81   6.150  -4.909   3.870
  620   1HG   MET  81          2HG       MET  81   4.255  -3.995   3.139
  621   2HG   MET  81          1HG       MET  81   4.150  -2.782   4.403
  622   1HE   MET  81          3HE       MET  81   6.292  -3.969   1.683
  623   2HE   MET  81          2HE       MET  81   6.422  -2.604   0.549
  624   3HE   MET  81          1HE       MET  81   7.547  -2.705   1.907
  625    H    LYS  82           H        LYS  82   3.797  -2.762   6.931
  626    HA   LYS  82           HA       LYS  82   1.584  -4.514   6.112
  627   1HB   LYS  82          2HB       LYS  82   1.940  -3.183   8.794
  628   2HB   LYS  82          1HB       LYS  82   0.350  -3.500   8.144
  629   1HG   LYS  82          2HG       LYS  82   2.447  -5.626   7.929
  630   2HG   LYS  82          1HG       LYS  82   1.879  -5.220   9.559
  631   1HD   LYS  82          2HD       LYS  82   0.313  -6.247   7.162
  632   2HD   LYS  82          1HD       LYS  82   0.483  -7.031   8.765
  633   1HE   LYS  82          2HE       LYS  82  -1.179  -4.664   8.021
  634   2HE   LYS  82          1HE       LYS  82  -1.665  -6.211   8.666
  635   1HZ   LYS  82          2HZ       LYS  82   0.229  -4.918  10.438
  636   2HZ   LYS  82          1HZ       LYS  82  -1.110  -3.939  10.148
  637   3HZ   LYS  82          3HZ       LYS  82  -1.300  -5.539  10.763
  638    H    ILE  83           H        ILE  83   0.442  -3.648   4.715
  639    HA   ILE  83           HA       ILE  83   0.197  -0.763   4.062
  640    HB   ILE  83           HB       ILE  83   0.795  -3.303   2.553
  641   1HG1  ILE  83          2HG1      ILE  83   1.832  -0.478   2.180
  642   2HG1  ILE  83          1HG1      ILE  83   2.654  -1.795   3.072
  643   1HG2  ILE  83          3HG2      ILE  83  -1.352  -2.024   1.568
  644   2HG2  ILE  83          2HG2      ILE  83  -0.068  -0.946   0.947
  645   3HG2  ILE  83          1HG2      ILE  83  -0.102  -2.662   0.555
  646   1HD1  ILE  83          1HD1      ILE  83   1.802  -2.469   0.318
  647   2HD1  ILE  83          3HD1      ILE  83   3.113  -1.292   0.462
  648   3HD1  ILE  83          2HD1      ILE  83   3.209  -2.894   1.235
  649    H    SER  84           H        SER  84  -1.869  -0.260   4.423
  650    HA   SER  84           HA       SER  84  -3.990  -2.284   4.175
  651   1HB   SER  84          2HB       SER  84  -4.227  -1.780   6.448
  652   2HB   SER  84          1HB       SER  84  -3.700  -0.085   6.213
  653    HG   SER  84           HG       SER  84  -5.687   0.342   6.031
  654    H    PHE  85           H        PHE  85  -4.981  -1.743   2.293
  655    HA   PHE  85           HA       PHE  85  -5.130   0.472   0.759
  656   1HB   PHE  85          2HB       PHE  85  -7.796  -0.356   0.807
  657   2HB   PHE  85          1HB       PHE  85  -6.528  -0.788  -0.313
  658    HD1  PHE  85           HD1      PHE  85  -7.966  -1.776   3.131
  659    HD2  PHE  85           HD2      PHE  85  -5.908  -2.979  -0.478
  660    HE1  PHE  85           HE1      PHE  85  -8.076  -4.094   3.832
  661    HE2  PHE  85           HE2      PHE  85  -6.044  -5.347   0.264
  662    HZ   PHE  85           HZ       PHE  85  -7.137  -5.877   2.442
  663    H    ALA  86           H        ALA  86  -6.921   2.175   0.618
  664    HA   ALA  86           HA       ALA  86  -7.461   3.355   3.207
  665   1HB   ALA  86          1HB       ALA  86  -7.690   4.187   0.300
  666   2HB   ALA  86          3HB       ALA  86  -8.479   5.117   1.537
  667   3HB   ALA  86          2HB       ALA  86  -6.704   4.902   1.559
  668    H    LYS  87           H        LYS  87  -9.792   3.770   0.573
  669    HA   LYS  87           HA       LYS  87 -11.777   2.086   1.987
  670   1HB   LYS  87          2HB       LYS  87 -11.620   5.038   1.732
  671   2HB   LYS  87          1HB       LYS  87 -13.218   4.349   1.612
  672   1HG   LYS  87          2HG       LYS  87 -12.734   3.133   3.800
  673   2HG   LYS  87          1HG       LYS  87 -11.323   4.162   3.994
  674   1HD   LYS  87          2HD       LYS  87 -12.808   6.167   3.992
  675   2HD   LYS  87          1HD       LYS  87 -14.190   5.150   3.666
  676   1HE   LYS  87          2HE       LYS  87 -12.902   3.972   5.882
  677   2HE   LYS  87          1HE       LYS  87 -12.897   5.684   6.194
  678   1HZ   LYS  87          1HZ       LYS  87 -15.281   4.197   5.286
  679   2HZ   LYS  87          3HZ       LYS  87 -15.001   4.583   6.922
  680   3HZ   LYS  87          2HZ       LYS  87 -15.219   5.824   5.744
  681    H    LYS  88           H        LYS  88 -12.036   4.861  -0.247
  682    HA   LYS  88           HA       LYS  88 -12.220   3.178  -2.555
  683   1HB   LYS  88          2HB       LYS  88 -14.680   3.795  -2.970
  684   2HB   LYS  88          1HB       LYS  88 -14.312   2.712  -1.612
  685   1HG   LYS  88          2HG       LYS  88 -15.458   4.011  -0.291
  686   2HG   LYS  88          1HG       LYS  88 -14.153   5.215  -0.471
  687   1HD   LYS  88          2HD       LYS  88 -15.770   6.540  -1.416
  688   2HD   LYS  88          1HD       LYS  88 -15.727   5.385  -2.785
  689   1HE   LYS  88          2HE       LYS  88 -17.836   4.864  -2.351
  690   2HE   LYS  88          1HE       LYS  88 -17.328   4.102  -0.870
  691   1HZ   LYS  88          3HZ       LYS  88 -17.572   6.998  -0.753
  692   2HZ   LYS  88          2HZ       LYS  88 -19.017   6.251  -1.141
  693   3HZ   LYS  88          1HZ       LYS  88 -18.191   5.838   0.306
   
  No H/Q in entry =         693
  Start of MODEL    8
    1   1H    MET   1          3H        MET   1 -32.886   6.853   0.167
    2   2H    MET   1          2H        MET   1 -31.681   7.561  -0.829
    3   3H    MET   1          1H        MET   1 -32.769   6.413  -1.442
    4    HA   MET   1           HA       MET   1 -31.700   4.669  -0.486
    5   1HB   MET   1          2HB       MET   1 -29.941   6.649  -1.506
    6   2HB   MET   1          1HB       MET   1 -29.176   5.970  -0.065
    7   1HG   MET   1          2HG       MET   1 -30.323   3.829  -1.573
    8   2HG   MET   1          1HG       MET   1 -29.281   4.765  -2.678
    9   1HE   MET   1          1HE       MET   1 -27.399   4.898  -2.974
   10   2HE   MET   1          3HE       MET   1 -26.263   5.297  -1.700
   11   3HE   MET   1          2HE       MET   1 -26.213   3.699  -2.432
   12    H    ALA   2           H        ALA   2 -30.483   3.768   1.436
   13    HA   ALA   2           HA       ALA   2 -30.513   5.569   3.829
   14   1HB   ALA   2          1HB       ALA   2 -32.689   4.336   3.630
   15   2HB   ALA   2          3HB       ALA   2 -31.757   2.820   3.814
   16   3HB   ALA   2          2HB       ALA   2 -31.811   4.012   5.110
   17    HA   PRO   3           HA       PRO   3 -26.651   3.068   3.457
   18   1HB   PRO   3          2HB       PRO   3 -25.156   5.290   4.289
   19   2HB   PRO   3          1HB       PRO   3 -25.424   4.777   2.632
   20   1HG   PRO   3          2HG       PRO   3 -26.656   7.035   4.123
   21   2HG   PRO   3          1HG       PRO   3 -26.349   6.894   2.407
   22   1HD   PRO   3          2HD       PRO   3 -28.837   6.492   3.565
   23   2HD   PRO   3          1HD       PRO   3 -28.359   5.734   2.002
   24    H    ALA   4           H        ALA   4 -25.954   1.933   5.390
   25    HA   ALA   4           HA       ALA   4 -26.307   3.287   8.051
   26   1HB   ALA   4          2HB       ALA   4 -27.672   1.091   7.143
   27   2HB   ALA   4          1HB       ALA   4 -26.286   0.361   8.004
   28   3HB   ALA   4          3HB       ALA   4 -27.406   1.447   8.841
   29    H    GLN   5           H        GLN   5 -24.093   2.577   5.878
   30    HA   GLN   5           HA       GLN   5 -21.739   2.440   5.997
   31   1HB   GLN   5          2HB       GLN   5 -22.365   3.666   8.273
   32   2HB   GLN   5          1HB       GLN   5 -21.676   2.174   8.918
   33   1HG   GLN   5          2HG       GLN   5 -19.572   2.986   8.407
   34   2HG   GLN   5          1HG       GLN   5 -20.085   3.053   6.707
   35   1HE2  GLN   5          1HE2      GLN   5 -20.766   6.440   8.963
   36   2HE2  GLN   5          2HE2      GLN   5 -21.155   4.960   9.654
   37    HA   PRO   6           HA       PRO   6 -22.136  -2.080   6.555
   38   1HB   PRO   6          2HB       PRO   6 -21.462  -2.463   3.865
   39   2HB   PRO   6          1HB       PRO   6 -23.096  -2.614   4.589
   40   1HG   PRO   6          2HG       PRO   6 -22.312  -0.629   2.710
   41   2HG   PRO   6          1HG       PRO   6 -23.800  -0.639   3.661
   42   1HD   PRO   6          2HD       PRO   6 -21.339   0.953   4.081
   43   2HD   PRO   6          1HD       PRO   6 -23.015   1.269   4.607
   44    H    LEU   7           H        LEU   7 -20.277  -3.482   6.572
   45    HA   LEU   7           HA       LEU   7 -17.627  -2.074   6.243
   46   1HB   LEU   7          2HB       LEU   7 -18.807  -3.724   8.345
   47   2HB   LEU   7          1HB       LEU   7 -17.214  -4.270   7.860
   48    HG   LEU   7           HG       LEU   7 -16.373  -1.914   8.222
   49   1HD1  LEU   7          2HD1      LEU   7 -19.131  -1.378   8.092
   50   2HD1  LEU   7          1HD1      LEU   7 -18.655  -1.044   9.746
   51   3HD1  LEU   7          3HD1      LEU   7 -17.812  -0.236   8.439
   52   1HD2  LEU   7          3HD2      LEU   7 -16.462  -3.748  10.023
   53   2HD2  LEU   7          2HD2      LEU   7 -16.260  -2.044  10.537
   54   3HD2  LEU   7          1HD2      LEU   7 -17.837  -2.849  10.655
   55    H    SER   8           H        SER   8 -19.272  -3.889   4.218
   56    HA   SER   8           HA       SER   8 -16.833  -5.423   3.520
   57   1HB   SER   8          2HB       SER   8 -18.545  -7.399   3.158
   58   2HB   SER   8          1HB       SER   8 -17.668  -7.084   4.632
   59    HG   SER   8           HG       SER   8 -20.390  -6.598   3.999
   60    H    GLU   9           H        GLU   9 -18.571  -3.189   2.414
   61    HA   GLU   9           HA       GLU   9 -19.430  -4.451  -0.175
   62   1HB   GLU   9          2HB       GLU   9 -20.720  -2.548  -0.645
   63   2HB   GLU   9          1HB       GLU   9 -20.885  -2.807   1.093
   64   1HG   GLU   9          2HG       GLU   9 -19.541  -0.977   1.694
   65   2HG   GLU   9          1HG       GLU   9 -18.780  -0.894   0.102
   66    H    ASN  10           H        ASN  10 -16.896  -2.718   1.200
   67    HA   ASN  10           HA       ASN  10 -15.838  -1.109  -0.711
   68   1HB   ASN  10          2HB       ASN  10 -14.973  -2.173   1.677
   69   2HB   ASN  10          1HB       ASN  10 -13.729  -2.626   0.478
   70   1HD2  ASN  10          2HD2      ASN  10 -12.486   0.673   0.981
   71   2HD2  ASN  10          1HD2      ASN  10 -12.181  -0.997   1.062
   72    HA   PRO  11           HA       PRO  11 -15.212  -4.140  -4.100
   73   1HB   PRO  11          2HB       PRO  11 -13.904  -2.008  -5.434
   74   2HB   PRO  11          1HB       PRO  11 -15.478  -2.778  -5.786
   75   1HG   PRO  11          2HG       PRO  11 -15.023  -0.067  -4.870
   76   2HG   PRO  11          1HG       PRO  11 -16.589  -0.889  -4.978
   77   1HD   PRO  11          2HD       PRO  11 -14.819  -0.424  -2.664
   78   2HD   PRO  11          1HD       PRO  11 -16.514  -0.972  -2.586
   79    HA   PRO  12           HA       PRO  12 -10.888  -4.977  -3.837
   80   1HB   PRO  12          2HB       PRO  12  -9.931  -4.477  -6.530
   81   2HB   PRO  12          1HB       PRO  12 -10.323  -6.038  -5.791
   82   1HG   PRO  12          2HG       PRO  12 -11.910  -4.537  -7.720
   83   2HG   PRO  12          1HG       PRO  12 -12.298  -6.073  -6.943
   84   1HD   PRO  12          2HD       PRO  12 -13.499  -3.489  -6.538
   85   2HD   PRO  12          1HD       PRO  12 -14.019  -5.051  -5.832
   86    H    ASN  13           H        ASN  13  -9.883  -3.239  -2.693
   87    HA   ASN  13           HA       ASN  13  -9.822  -0.625  -3.890
   88   1HB   ASN  13          2HB       ASN  13  -8.182  -1.448  -1.450
   89   2HB   ASN  13          1HB       ASN  13  -8.766   0.150  -1.818
   90   1HD2  ASN  13          1HD2      ASN  13 -11.029  -2.350   0.373
   91   2HD2  ASN  13          2HD2      ASN  13  -9.363  -2.517   0.066
   92    H    HIS  14           H        HIS  14  -8.215   0.579  -4.609
   93    HA   HIS  14           HA       HIS  14  -5.736  -0.710  -5.635
   94   1HB   HIS  14          2HB       HIS  14  -5.638   1.403  -6.960
   95   2HB   HIS  14          1HB       HIS  14  -6.874   0.309  -7.494
   96    HD1  HIS  14           HD1      HIS  14  -9.403   1.069  -6.432
   97    HD2  HIS  14           HD2      HIS  14  -6.313   3.867  -6.243
   98    HE1  HIS  14           HE1      HIS  14 -10.521   3.324  -5.971
   99    HE2  HIS  14           HE2      HIS  14  -8.708   5.056  -5.837
  100    H    ILE  15           H        ILE  15  -6.306   0.461  -2.887
  101    HA   ILE  15           HA       ILE  15  -4.194   2.530  -2.736
  102    HB   ILE  15           HB       ILE  15  -6.961   2.891  -1.732
  103   1HG1  ILE  15          2HG1      ILE  15  -4.655   4.731  -2.483
  104   2HG1  ILE  15          1HG1      ILE  15  -5.859   4.152  -3.606
  105   1HG2  ILE  15          1HG2      ILE  15  -4.402   3.726  -0.256
  106   2HG2  ILE  15          3HG2      ILE  15  -6.015   4.380   0.075
  107   3HG2  ILE  15          2HG2      ILE  15  -5.696   2.694   0.361
  108   1HD1  ILE  15          3HD1      ILE  15  -7.030   5.410  -1.188
  109   2HD1  ILE  15          2HD1      ILE  15  -5.896   6.456  -2.030
  110   3HD1  ILE  15          1HD1      ILE  15  -7.289   5.772  -2.907
  111    H    LEU  16           H        LEU  16  -2.616   1.566  -1.504
  112    HA   LEU  16           HA       LEU  16  -3.442  -0.276   0.659
  113   1HB   LEU  16          2HB       LEU  16  -0.705  -0.501  -0.516
  114   2HB   LEU  16          1HB       LEU  16  -1.827  -1.733   0.126
  115    HG   LEU  16           HG       LEU  16  -3.308  -1.121  -1.921
  116   1HD1  LEU  16          2HD1      LEU  16  -0.974   0.416  -2.529
  117   2HD1  LEU  16          1HD1      LEU  16  -0.873  -1.021  -3.544
  118   3HD1  LEU  16          3HD1      LEU  16  -2.263   0.023  -3.650
  119   1HD2  LEU  16          1HD2      LEU  16  -0.855  -2.845  -1.793
  120   2HD2  LEU  16          3HD2      LEU  16  -2.543  -3.271  -1.424
  121   3HD2  LEU  16          2HD2      LEU  16  -2.033  -2.976  -3.090
  122    H    PHE  17           H        PHE  17  -3.348   0.708   2.441
  123    HA   PHE  17           HA       PHE  17  -1.203   2.567   3.144
  124   1HB   PHE  17          2HB       PHE  17  -2.999   4.007   3.135
  125   2HB   PHE  17          1HB       PHE  17  -4.145   2.758   3.537
  126    HD1  PHE  17           HD1      PHE  17  -0.891   3.921   5.028
  127    HD2  PHE  17           HD2      PHE  17  -5.066   3.056   5.716
  128    HE1  PHE  17           HE1      PHE  17  -0.561   4.441   7.421
  129    HE2  PHE  17           HE2      PHE  17  -4.708   3.592   8.144
  130    HZ   PHE  17           HZ       PHE  17  -2.480   4.270   8.972
  131    H    LEU  18           H        LEU  18  -0.130   2.020   4.824
  132    HA   LEU  18           HA       LEU  18  -0.838   0.990   7.159
  133   1HB   LEU  18          2HB       LEU  18  -1.785  -1.039   6.001
  134   2HB   LEU  18          1HB       LEU  18  -0.182  -1.632   5.937
  135    HG   LEU  18           HG       LEU  18  -0.492  -0.609   8.557
  136   1HD1  LEU  18          2HD1      LEU  18  -2.914  -0.235   7.582
  137   2HD1  LEU  18          1HD1      LEU  18  -3.070  -1.899   8.054
  138   3HD1  LEU  18          3HD1      LEU  18  -2.641  -0.680   9.259
  139   1HD2  LEU  18          1HD2      LEU  18  -0.552  -3.309   7.341
  140   2HD2  LEU  18          3HD2      LEU  18  -0.071  -2.800   8.992
  141   3HD2  LEU  18          2HD2      LEU  18  -1.715  -3.210   8.623
  142    H    THR  19           H        THR  19   1.212  -0.667   7.723
  143    HA   THR  19           HA       THR  19   3.583   0.989   7.170
  144    HB   THR  19           HB       THR  19   2.682   2.316   8.932
  145    HG1  THR  19          1HG       THR  19   3.792   1.486  10.884
  146   1HG2  THR  19          1HG2      THR  19   1.489  -0.237   9.914
  147   2HG2  THR  19          3HG2      THR  19   1.684   1.117  11.026
  148   3HG2  THR  19          2HG2      THR  19   0.715   1.289   9.595
  149    H    ASN  20           H        ASN  20   5.182   0.084   8.780
  150    HA   ASN  20           HA       ASN  20   5.983  -1.592  10.098
  151   1HB   ASN  20          2HB       ASN  20   3.880  -3.107   9.764
  152   2HB   ASN  20          1HB       ASN  20   4.862  -3.852   8.461
  153   1HD2  ASN  20          1HD2      ASN  20   7.404  -4.782  10.979
  154   2HD2  ASN  20          2HD2      ASN  20   7.400  -3.966   9.504
  155    H    LEU  21           H        LEU  21   6.580  -0.145   7.515
  156    HA   LEU  21           HA       LEU  21   8.282  -1.830   5.980
  157   1HB   LEU  21          2HB       LEU  21   7.809   1.079   6.319
  158   2HB   LEU  21          1HB       LEU  21   9.186   0.561   5.322
  159    HG   LEU  21           HG       LEU  21   7.714  -0.377   3.724
  160   1HD1  LEU  21          3HD1      LEU  21   6.394  -1.761   5.391
  161   2HD1  LEU  21          2HD1      LEU  21   5.467  -0.299   5.708
  162   3HD1  LEU  21          1HD1      LEU  21   5.382  -1.026   4.131
  163   1HD2  LEU  21          3HD2      LEU  21   7.131   2.220   4.518
  164   2HD2  LEU  21          2HD2      LEU  21   6.468   1.445   3.051
  165   3HD2  LEU  21          1HD2      LEU  21   5.558   1.487   4.530
  166    HA   PRO  22           HA       PRO  22  11.809  -2.077   8.473
  167   1HB   PRO  22          2HB       PRO  22  13.697  -0.695   6.718
  168   2HB   PRO  22          1HB       PRO  22  13.583  -2.406   7.187
  169   1HG   PRO  22          2HG       PRO  22  12.811  -1.223   4.737
  170   2HG   PRO  22          1HG       PRO  22  12.459  -2.889   5.271
  171   1HD   PRO  22          2HD       PRO  22  10.528  -0.729   4.892
  172   2HD   PRO  22          1HD       PRO  22  10.216  -2.413   5.272
  173    H    GLU  23           H        GLU  23  12.820   0.977   7.029
  174    HA   GLU  23           HA       GLU  23  12.012   3.063   8.543
  175   1HB   GLU  23          2HB       GLU  23  12.435   2.210  10.706
  176   2HB   GLU  23          1HB       GLU  23  13.899   1.365  10.182
  177   1HG   GLU  23          2HG       GLU  23  15.108   3.495   9.930
  178   2HG   GLU  23          1HG       GLU  23  13.623   4.350  10.422
  179    H    GLU  24           H        GLU  24  14.685   1.293   7.119
  180    HA   GLU  24           HA       GLU  24  16.152   3.847   6.639
  181   1HB   GLU  24          2HB       GLU  24  17.015   0.918   6.403
  182   2HB   GLU  24          1HB       GLU  24  17.959   2.276   5.802
  183   1HG   GLU  24          2HG       GLU  24  18.099   3.280   8.009
  184   2HG   GLU  24          1HG       GLU  24  17.081   2.040   8.668
  185    H    THR  25           H        THR  25  13.651   3.372   5.502
  186    HA   THR  25           HA       THR  25  14.148   2.694   2.668
  187    HB   THR  25           HB       THR  25  11.599   3.151   2.676
  188    HG1  THR  25          1HG       THR  25  11.438   2.676   5.362
  189   1HG2  THR  25          3HG2      THR  25  12.909   0.830   3.035
  190   2HG2  THR  25          2HG2      THR  25  12.266   0.928   4.658
  191   3HG2  THR  25          1HG2      THR  25  11.155   0.882   3.306
  192    H    ASN  26           H        ASN  26  12.717   4.230   1.213
  193    HA   ASN  26           HA       ASN  26  12.636   6.966   2.295
  194   1HB   ASN  26          2HB       ASN  26  14.315   7.942   1.294
  195   2HB   ASN  26          1HB       ASN  26  14.984   6.292   1.112
  196   1HD2  ASN  26          2HD2      ASN  26  15.299   6.646  -2.290
  197   2HD2  ASN  26          1HD2      ASN  26  15.900   6.131  -0.817
  198    H    GLU  27           H        GLU  27  11.708   8.545   0.845
  199    HA   GLU  27           HA       GLU  27   9.198   7.642  -0.171
  200   1HB   GLU  27          2HB       GLU  27   9.638  10.186  -1.334
  201   2HB   GLU  27          1HB       GLU  27   8.589   9.699   0.000
  202   1HG   GLU  27          2HG       GLU  27  10.390  10.021   1.575
  203   2HG   GLU  27          1HG       GLU  27  11.520  10.390   0.251
  204    H    LEU  28           H        LEU  28  12.105   8.716  -2.111
  205    HA   LEU  28           HA       LEU  28  10.693   8.440  -4.636
  206   1HB   LEU  28          2HB       LEU  28  12.865   8.765  -5.678
  207   2HB   LEU  28          1HB       LEU  28  12.481  10.067  -4.510
  208    HG   LEU  28           HG       LEU  28  14.078   7.760  -3.475
  209   1HD1  LEU  28          2HD1      LEU  28  15.011   7.932  -5.732
  210   2HD1  LEU  28          1HD1      LEU  28  15.249   9.666  -5.480
  211   3HD1  LEU  28          3HD1      LEU  28  16.128   8.518  -4.515
  212   1HD2  LEU  28          3HD2      LEU  28  13.574  10.572  -3.010
  213   2HD2  LEU  28          2HD2      LEU  28  14.549   9.533  -1.970
  214   3HD2  LEU  28          1HD2      LEU  28  15.302  10.395  -3.278
  215    H    MET  29           H        MET  29  12.306   6.449  -2.378
  216    HA   MET  29           HA       MET  29  13.154   4.291  -4.073
  217   1HB   MET  29          2HB       MET  29  13.818   4.851  -1.585
  218   2HB   MET  29          1HB       MET  29  12.336   4.048  -1.134
  219   1HG   MET  29          2HG       MET  29  13.603   2.091  -1.345
  220   2HG   MET  29          1HG       MET  29  13.567   2.403  -3.087
  221   1HE   MET  29          1HE       MET  29  15.224   3.372   0.210
  222   2HE   MET  29          3HE       MET  29  16.022   1.863  -0.166
  223   3HE   MET  29          2HE       MET  29  16.925   3.386  -0.174
  224    H    LEU  30           H        LEU  30  10.489   4.822  -1.817
  225    HA   LEU  30           HA       LEU  30   8.919   2.471  -2.534
  226   1HB   LEU  30          2HB       LEU  30   8.352   5.065  -1.027
  227   2HB   LEU  30          1HB       LEU  30   7.151   3.806  -1.247
  228    HG   LEU  30           HG       LEU  30   9.122   4.014   0.799
  229   1HD1  LEU  30          3HD1      LEU  30   7.158   1.956  -0.083
  230   2HD1  LEU  30          2HD1      LEU  30   8.222   1.613   1.287
  231   3HD1  LEU  30          1HD1      LEU  30   7.091   2.938   1.404
  232   1HD2  LEU  30          1HD2      LEU  30   9.758   1.673  -1.000
  233   2HD2  LEU  30          3HD2      LEU  30  10.819   3.042  -0.557
  234   3HD2  LEU  30          2HD2      LEU  30  10.308   1.868   0.632
  235    H    SER  31           H        SER  31   9.177   5.761  -3.549
  236    HA   SER  31           HA       SER  31   6.858   5.876  -5.232
  237   1HB   SER  31          2HB       SER  31   8.071   7.919  -4.569
  238   2HB   SER  31          1HB       SER  31   9.421   7.376  -5.599
  239    HG   SER  31           HG       SER  31   7.229   7.252  -7.046
  240    H    MET  32           H        MET  32  10.226   4.898  -5.796
  241    HA   MET  32           HA       MET  32   9.939   4.487  -8.656
  242   1HB   MET  32          2HB       MET  32  11.937   3.919  -6.522
  243   2HB   MET  32          1HB       MET  32  12.057   3.001  -8.019
  244   1HG   MET  32          2HG       MET  32  12.094   5.077  -9.305
  245   2HG   MET  32          1HG       MET  32  11.938   6.015  -7.804
  246   1HE   MET  32          1HE       MET  32  13.849   2.989  -8.973
  247   2HE   MET  32          3HE       MET  32  15.551   3.267  -8.479
  248   3HE   MET  32          2HE       MET  32  14.321   2.839  -7.287
  249    H    LEU  33           H        LEU  33   9.721   2.501  -5.771
  250    HA   LEU  33           HA       LEU  33   9.660  -0.131  -6.964
  251   1HB   LEU  33          2HB       LEU  33   9.206   1.157  -4.349
  252   2HB   LEU  33          1HB       LEU  33   8.308  -0.337  -4.632
  253    HG   LEU  33           HG       LEU  33  11.266  -0.133  -5.189
  254   1HD1  LEU  33          3HD1      LEU  33  10.220   0.285  -2.639
  255   2HD1  LEU  33          2HD1      LEU  33  10.580  -1.446  -2.629
  256   3HD1  LEU  33          1HD1      LEU  33  11.838  -0.276  -3.000
  257   1HD2  LEU  33          3HD2      LEU  33   9.658  -2.212  -5.797
  258   2HD2  LEU  33          2HD2      LEU  33  11.281  -2.500  -5.107
  259   3HD2  LEU  33          1HD2      LEU  33   9.873  -2.558  -4.082
  260    H    PHE  34           H        PHE  34   7.487   2.375  -5.943
  261    HA   PHE  34           HA       PHE  34   5.140   0.772  -6.582
  262   1HB   PHE  34          2HB       PHE  34   5.416   3.677  -5.647
  263   2HB   PHE  34          1HB       PHE  34   3.881   3.046  -6.173
  264    HD1  PHE  34           HD1      PHE  34   3.914   0.188  -5.229
  265    HD2  PHE  34           HD2      PHE  34   5.323   3.823  -3.366
  266    HE1  PHE  34           HE1      PHE  34   3.627  -0.854  -3.087
  267    HE2  PHE  34           HE2      PHE  34   5.015   2.748  -1.165
  268    HZ   PHE  34           HZ       PHE  34   4.174   0.418  -0.989
  269    H    ASN  35           H        ASN  35   7.179   3.094  -8.027
  270    HA   ASN  35           HA       ASN  35   5.665   3.946 -10.230
  271   1HB   ASN  35          2HB       ASN  35   7.630   5.141  -9.772
  272   2HB   ASN  35          1HB       ASN  35   8.648   3.684  -9.898
  273   1HD2  ASN  35          2HD2      ASN  35   9.139   4.641 -13.280
  274   2HD2  ASN  35          1HD2      ASN  35   9.882   4.296 -11.770
  275    H    GLN  36           H        GLN  36   7.860   1.272  -9.763
  276    HA   GLN  36           HA       GLN  36   8.361  -0.048 -12.037
  277   1HB   GLN  36          2HB       GLN  36   7.370  -1.006  -9.411
  278   2HB   GLN  36          1HB       GLN  36   7.311  -2.152 -10.706
  279   1HG   GLN  36          2HG       GLN  36   9.756  -1.598 -11.221
  280   2HG   GLN  36          1HG       GLN  36   9.792  -0.748  -9.677
  281   1HE2  GLN  36          2HE2      GLN  36  10.852  -4.242  -8.909
  282   2HE2  GLN  36          1HE2      GLN  36  11.479  -2.993  -9.885
  283    H    PHE  37           H        PHE  37   5.242   0.212 -10.568
  284    HA   PHE  37           HA       PHE  37   3.803  -1.542 -12.322
  285   1HB   PHE  37          2HB       PHE  37   3.110  -0.056  -9.839
  286   2HB   PHE  37          1HB       PHE  37   1.938  -1.040 -10.639
  287    HD1  PHE  37           HD1      PHE  37   2.457  -3.598 -10.946
  288    HD2  PHE  37           HD2      PHE  37   5.125  -0.984  -8.848
  289    HE1  PHE  37           HE1      PHE  37   3.745  -5.533 -10.038
  290    HE2  PHE  37           HE2      PHE  37   6.387  -2.902  -7.960
  291    HZ   PHE  37           HZ       PHE  37   5.683  -5.212  -8.571
  292    HA   PRO  38           HA       PRO  38   2.826   1.767 -15.295
  293   1HB   PRO  38          2HB       PRO  38   0.664   0.118 -16.307
  294   2HB   PRO  38          1HB       PRO  38   2.225   0.408 -17.067
  295   1HG   PRO  38          2HG       PRO  38   1.385  -1.872 -15.349
  296   2HG   PRO  38          1HG       PRO  38   2.636  -1.859 -16.600
  297   1HD   PRO  38          2HD       PRO  38   3.290  -1.978 -14.054
  298   2HD   PRO  38          1HD       PRO  38   4.226  -0.946 -15.141
  299    H    GLY  39           H        GLY  39   1.798   3.205 -13.907
  300   1HA   GLY  39          2HA       GLY  39  -0.815   3.910 -13.947
  301   2HA   GLY  39          1HA       GLY  39  -0.853   2.598 -12.802
  302    H    PHE  40           H        PHE  40   1.385   2.833 -11.440
  303    HA   PHE  40           HA       PHE  40   1.729   3.872  -9.306
  304   1HB   PHE  40          2HB       PHE  40   3.763   3.670 -10.456
  305   2HB   PHE  40          1HB       PHE  40   3.329   4.850 -11.671
  306    HD1  PHE  40           HD1      PHE  40   3.911   4.623  -7.912
  307    HD2  PHE  40           HD2      PHE  40   4.219   6.920 -11.567
  308    HE1  PHE  40           HE1      PHE  40   5.115   6.485  -6.699
  309    HE2  PHE  40           HE2      PHE  40   5.406   8.761 -10.318
  310    HZ   PHE  40           HZ       PHE  40   5.827   8.486  -7.899
  311    H    LYS  41           H        LYS  41  -0.019   5.062  -8.597
  312    HA   LYS  41           HA       LYS  41  -0.360   7.744  -9.784
  313   1HB   LYS  41          2HB       LYS  41  -2.233   6.079  -8.777
  314   2HB   LYS  41          1HB       LYS  41  -2.039   7.246  -7.466
  315   1HG   LYS  41          2HG       LYS  41  -2.137   8.275 -10.274
  316   2HG   LYS  41          1HG       LYS  41  -3.663   7.740  -9.569
  317   1HD   LYS  41          2HD       LYS  41  -3.573   9.303  -7.810
  318   2HD   LYS  41          1HD       LYS  41  -1.862   9.662  -8.163
  319   1HE   LYS  41          2HE       LYS  41  -3.303  10.169 -10.515
  320   2HE   LYS  41          1HE       LYS  41  -4.257  10.860  -9.185
  321   1HZ   LYS  41          1HZ       LYS  41  -1.333  11.303  -9.444
  322   2HZ   LYS  41          3HZ       LYS  41  -2.470  12.302 -10.236
  323   3HZ   LYS  41          2HZ       LYS  41  -2.451  12.240  -8.549
  324    H    GLU  42           H        GLU  42  -0.077   6.654  -6.308
  325    HA   GLU  42           HA       GLU  42   1.572   8.964  -5.803
  326   1HB   GLU  42          2HB       GLU  42  -0.945   9.593  -5.614
  327   2HB   GLU  42          1HB       GLU  42  -0.799   8.886  -3.977
  328   1HG   GLU  42          2HG       GLU  42   0.560  10.629  -3.329
  329   2HG   GLU  42          1HG       GLU  42   1.456  10.590  -4.834
  330    H    VAL  43           H        VAL  43   2.621   8.855  -3.917
  331    HA   VAL  43           HA       VAL  43   2.577   6.381  -2.344
  332    HB   VAL  43           HB       VAL  43   4.965   6.201  -2.411
  333   1HG1  VAL  43          2HG1      VAL  43   3.502   5.032  -4.011
  334   2HG1  VAL  43          1HG1      VAL  43   3.610   6.365  -5.136
  335   3HG1  VAL  43          3HG1      VAL  43   5.038   5.364  -4.799
  336   1HG2  VAL  43          1HG2      VAL  43   4.813   8.496  -4.402
  337   2HG2  VAL  43          3HG2      VAL  43   5.771   8.436  -2.914
  338   3HG2  VAL  43          2HG2      VAL  43   6.204   7.427  -4.295
  339    H    ARG  44           H        ARG  44   2.604   6.844  -0.284
  340    HA   ARG  44           HA       ARG  44   3.213   9.562   0.660
  341   1HB   ARG  44          2HB       ARG  44   0.780   8.143   0.791
  342   2HB   ARG  44          1HB       ARG  44   1.421   8.072   2.403
  343   1HG   ARG  44          2HG       ARG  44   0.365   9.978   2.636
  344   2HG   ARG  44          1HG       ARG  44   1.905  10.641   2.084
  345   1HD   ARG  44          2HD       ARG  44  -0.729  10.754   0.842
  346   2HD   ARG  44          1HD       ARG  44   0.695  11.734   0.436
  347    HE   ARG  44           HE       ARG  44   1.394   9.512  -0.824
  348   1HH1  ARG  44          2HH1      ARG  44  -0.238   7.684  -1.203
  349   2HH1  ARG  44          1HH1      ARG  44  -1.596   8.145  -2.154
  350   1HH2  ARG  44          1HH2      ARG  44  -1.058  11.575  -1.661
  351   2HH2  ARG  44          2HH2      ARG  44  -2.065  10.413  -2.416
  352    H    LEU  45           H        LEU  45   5.251   9.082   1.092
  353    HA   LEU  45           HA       LEU  45   5.849   7.471   3.477
  354   1HB   LEU  45          2HB       LEU  45   6.591   6.740   0.879
  355   2HB   LEU  45          1HB       LEU  45   7.962   7.675   1.356
  356    HG   LEU  45           HG       LEU  45   8.379   5.403   1.837
  357   1HD1  LEU  45          1HD1      LEU  45   8.162   7.321   4.111
  358   2HD1  LEU  45          3HD1      LEU  45   9.119   5.836   4.223
  359   3HD1  LEU  45          2HD1      LEU  45   9.541   7.057   3.035
  360   1HD2  LEU  45          1HD2      LEU  45   5.732   5.435   2.910
  361   2HD2  LEU  45          3HD2      LEU  45   6.838   4.039   2.940
  362   3HD2  LEU  45          2HD2      LEU  45   6.809   5.199   4.282
  363    H    VAL  46           H        VAL  46   5.933   9.636   4.608
  364    HA   VAL  46           HA       VAL  46   7.975  11.508   3.506
  365    HB   VAL  46           HB       VAL  46   5.362  11.892   5.004
  366   1HG1  VAL  46          3HG1      VAL  46   7.579  13.888   4.431
  367   2HG1  VAL  46          2HG1      VAL  46   5.961  14.295   4.962
  368   3HG1  VAL  46          1HG1      VAL  46   7.011  13.335   6.038
  369   1HG2  VAL  46          3HG2      VAL  46   5.902  11.844   2.299
  370   2HG2  VAL  46          2HG2      VAL  46   4.486  12.601   3.095
  371   3HG2  VAL  46          1HG2      VAL  46   5.911  13.540   2.663
  372    HA   PRO  47           HA       PRO  47  10.439  10.203   6.912
  373   1HB   PRO  47          2HB       PRO  47  11.224  13.092   6.536
  374   2HB   PRO  47          1HB       PRO  47  12.251  11.702   7.042
  375   1HG   PRO  47          2HG       PRO  47  12.090  12.402   4.525
  376   2HG   PRO  47          1HG       PRO  47  12.038  10.640   4.906
  377   1HD   PRO  47          2HD       PRO  47   9.858  12.602   4.153
  378   2HD   PRO  47          1HD       PRO  47  10.002  10.881   3.709
  379    H    GLY  48           H        GLY  48  10.882  10.831   9.128
  380   1HA   GLY  48          2HA       GLY  48   9.841  11.261  11.304
  381   2HA   GLY  48          1HA       GLY  48   8.972  12.599  10.489
  382    H    ARG  49           H        ARG  49   9.386   9.165   9.936
  383    HA   ARG  49           HA       ARG  49   7.791   7.477  10.061
  384   1HB   ARG  49          2HB       ARG  49   5.903   9.576   8.919
  385   2HB   ARG  49          1HB       ARG  49   5.510   7.854   9.052
  386   1HG   ARG  49          2HG       ARG  49   6.175   9.637  11.455
  387   2HG   ARG  49          1HG       ARG  49   4.626   8.920  11.029
  388   1HD   ARG  49          2HD       ARG  49   5.448   7.230  12.323
  389   2HD   ARG  49          1HD       ARG  49   6.266   6.724  10.893
  390    HE   ARG  49           HE       ARG  49   8.209   7.070  12.192
  391   1HH1  ARG  49          2HH2      ARG  49   6.189   8.597  14.300
  392   2HH1  ARG  49          1HH2      ARG  49   7.214   9.979  14.531
  393   1HH2  ARG  49          2HH1      ARG  49   9.345   9.416  11.994
  394   2HH2  ARG  49          1HH1      ARG  49   8.893  10.463  13.310
  395    H    HIS  50           H        HIS  50   9.415   6.866   8.732
  396    HA   HIS  50           HA       HIS  50   8.836   6.947   5.878
  397   1HB   HIS  50          2HB       HIS  50  11.402   5.675   6.304
  398   2HB   HIS  50          1HB       HIS  50  11.150   7.183   5.462
  399    HD1  HIS  50           HD1      HIS  50  10.261   8.724   8.277
  400    HD2  HIS  50           HD2      HIS  50  13.623   6.401   7.689
  401    HE1  HIS  50           HE1      HIS  50  11.917   9.394  10.014
  402    HE2  HIS  50           HE2      HIS  50  14.065   7.988   9.734
  403    H    ASP  51           H        ASP  51   7.476   5.626   7.824
  404    HA   ASP  51           HA       ASP  51   7.892   2.772   7.195
  405   1HB   ASP  51          2HB       ASP  51   8.559   2.133   9.134
  406   2HB   ASP  51          1HB       ASP  51   8.541   3.756   9.753
  407    H    ILE  52           H        ILE  52   5.609   5.293   7.740
  408    HA   ILE  52           HA       ILE  52   3.359   3.415   7.525
  409    HB   ILE  52           HB       ILE  52   1.902   5.299   7.951
  410   1HG1  ILE  52          2HG1      ILE  52   3.731   7.108   9.198
  411   2HG1  ILE  52          1HG1      ILE  52   4.395   6.819   7.617
  412   1HG2  ILE  52          2HG2      ILE  52   3.823   4.192   9.828
  413   2HG2  ILE  52          1HG2      ILE  52   3.144   5.734  10.386
  414   3HG2  ILE  52          3HG2      ILE  52   2.073   4.392   9.939
  415   1HD1  ILE  52          1HD1      ILE  52   1.938   7.217   6.778
  416   2HD1  ILE  52          3HD1      ILE  52   1.754   8.077   8.317
  417   3HD1  ILE  52          2HD1      ILE  52   2.986   8.573   7.140
  418    H    ALA  53           H        ALA  53   2.948   2.940   5.484
  419    HA   ALA  53           HA       ALA  53   3.570   4.914   3.329
  420   1HB   ALA  53          2HB       ALA  53   3.503   1.894   3.355
  421   2HB   ALA  53          1HB       ALA  53   3.705   2.928   1.939
  422   3HB   ALA  53          3HB       ALA  53   4.902   2.973   3.245
  423    H    PHE  54           H        PHE  54   1.919   5.749   2.360
  424    HA   PHE  54           HA       PHE  54  -0.550   4.297   2.004
  425   1HB   PHE  54          2HB       PHE  54  -0.914   6.268   3.371
  426   2HB   PHE  54          1HB       PHE  54  -0.386   7.324   2.047
  427    HD1  PHE  54           HD2      PHE  54  -1.648   6.644  -0.272
  428    HD2  PHE  54           HD1      PHE  54  -3.141   6.209   3.682
  429    HE1  PHE  54           HE2      PHE  54  -3.985   6.714  -1.142
  430    HE2  PHE  54           HE1      PHE  54  -5.506   6.274   2.856
  431    HZ   PHE  54           HZ       PHE  54  -5.911   6.522   0.454
  432    H    VAL  55           H        VAL  55  -0.584   3.377   0.182
  433    HA   VAL  55           HA       VAL  55   0.709   4.614  -2.214
  434    HB   VAL  55           HB       VAL  55   0.048   1.721  -1.564
  435   1HG1  VAL  55          2HG1      VAL  55   1.690   3.128  -3.686
  436   2HG1  VAL  55          1HG1      VAL  55   1.783   1.359  -3.426
  437   3HG1  VAL  55          3HG1      VAL  55   0.277   2.123  -3.928
  438   1HG2  VAL  55          3HG2      VAL  55   1.649   2.772   0.068
  439   2HG2  VAL  55          2HG2      VAL  55   2.270   1.381  -0.772
  440   3HG2  VAL  55          1HG2      VAL  55   2.716   3.042  -1.274
  441    H    GLU  56           H        GLU  56  -0.714   5.530  -3.331
  442    HA   GLU  56           HA       GLU  56  -3.337   4.492  -4.026
  443   1HB   GLU  56          2HB       GLU  56  -2.903   6.949  -3.381
  444   2HB   GLU  56          1HB       GLU  56  -2.042   7.101  -4.879
  445   1HG   GLU  56          2HG       GLU  56  -4.125   5.994  -5.979
  446   2HG   GLU  56          1HG       GLU  56  -4.966   6.463  -4.505
  447    H    PHE  57           H        PHE  57  -3.137   3.015  -5.598
  448    HA   PHE  57           HA       PHE  57  -1.236   3.255  -7.814
  449   1HB   PHE  57          2HB       PHE  57  -2.465   1.101  -6.201
  450   2HB   PHE  57          1HB       PHE  57  -2.423   0.727  -7.882
  451    HD1  PHE  57           HD2      PHE  57  -0.188   1.665  -9.093
  452    HD2  PHE  57           HD1      PHE  57  -0.466   0.475  -4.952
  453    HE1  PHE  57           HE2      PHE  57   2.191   1.326  -9.053
  454    HE2  PHE  57           HE1      PHE  57   1.954   0.113  -4.914
  455    HZ   PHE  57           HZ       PHE  57   3.325   0.534  -7.002
  456    H    ASP  58           H        ASP  58  -2.125   4.214  -9.487
  457    HA   ASP  58           HA       ASP  58  -4.340   5.088 -10.328
  458   1HB   ASP  58          2HB       ASP  58  -2.137   4.242 -11.687
  459   2HB   ASP  58          1HB       ASP  58  -3.460   3.366 -12.505
  460    H    ASN  59           H        ASN  59  -3.848   1.565 -10.581
  461    HA   ASN  59           HA       ASN  59  -6.695   1.150 -10.110
  462   1HB   ASN  59          2HB       ASN  59  -7.157   0.670 -12.350
  463   2HB   ASN  59          1HB       ASN  59  -5.481   0.950 -12.748
  464   1HD2  ASN  59          2HD2      ASN  59  -6.926  -2.783 -12.807
  465   2HD2  ASN  59          1HD2      ASN  59  -7.917  -1.439 -12.721
  466    H    GLU  60           H        GLU  60  -7.222  -0.783  -9.293
  467    HA   GLU  60           HA       GLU  60  -5.449  -1.924  -7.471
  468   1HB   GLU  60          2HB       GLU  60  -7.252  -3.608  -7.061
  469   2HB   GLU  60          1HB       GLU  60  -7.694  -1.932  -7.018
  470   1HG   GLU  60          2HG       GLU  60  -8.033  -2.717  -9.717
  471   2HG   GLU  60          1HG       GLU  60  -8.701  -4.049  -8.721
  472    H    VAL  61           H        VAL  61  -5.653  -2.914 -10.837
  473    HA   VAL  61           HA       VAL  61  -4.587  -5.615 -10.313
  474    HB   VAL  61           HB       VAL  61  -4.660  -3.918 -12.879
  475   1HG1  VAL  61          3HG1      VAL  61  -3.329  -6.524 -12.232
  476   2HG1  VAL  61          2HG1      VAL  61  -3.977  -6.256 -13.842
  477   3HG1  VAL  61          1HG1      VAL  61  -2.806  -5.130 -13.217
  478   1HG2  VAL  61          1HG2      VAL  61  -6.548  -5.689 -11.535
  479   2HG2  VAL  61          3HG2      VAL  61  -6.759  -4.819 -13.043
  480   3HG2  VAL  61          2HG2      VAL  61  -5.994  -6.425 -13.034
  481    H    GLN  62           H        GLN  62  -3.485  -2.433 -11.078
  482    HA   GLN  62           HA       GLN  62  -0.627  -3.138 -10.982
  483   1HB   GLN  62          2HB       GLN  62  -1.440  -0.304 -10.637
  484   2HB   GLN  62          1HB       GLN  62  -0.093  -0.974 -11.526
  485   1HG   GLN  62          2HG       GLN  62  -1.207  -1.103 -13.461
  486   2HG   GLN  62          1HG       GLN  62  -2.663  -1.697 -12.744
  487   1HE2  GLN  62          2HE2      GLN  62  -3.609   1.646 -13.989
  488   2HE2  GLN  62          1HE2      GLN  62  -3.296   0.141 -14.691
  489    H    ALA  63           H        ALA  63  -3.034  -1.868  -8.681
  490    HA   ALA  63           HA       ALA  63  -1.096  -1.197  -6.652
  491   1HB   ALA  63          1HB       ALA  63  -3.622  -0.439  -6.778
  492   2HB   ALA  63          3HB       ALA  63  -3.982  -2.065  -6.189
  493   3HB   ALA  63          2HB       ALA  63  -3.027  -0.968  -5.209
  494    H    GLY  64           H        GLY  64  -3.149  -3.821  -7.571
  495   1HA   GLY  64          2HA       GLY  64  -2.582  -5.696  -5.571
  496   2HA   GLY  64          1HA       GLY  64  -3.168  -6.051  -7.237
  497    H    ALA  65           H        ALA  65  -0.999  -4.898  -8.662
  498    HA   ALA  65           HA       ALA  65   0.767  -7.136  -8.727
  499   1HB   ALA  65          2HB       ALA  65   0.141  -5.771 -10.772
  500   2HB   ALA  65          1HB       ALA  65   0.984  -4.388 -10.028
  501   3HB   ALA  65          3HB       ALA  65   1.869  -5.857 -10.533
  502    H    ALA  66           H        ALA  66   1.353  -3.630  -7.982
  503    HA   ALA  66           HA       ALA  66   3.986  -3.792  -6.963
  504   1HB   ALA  66          3HB       ALA  66   1.605  -2.034  -6.646
  505   2HB   ALA  66          2HB       ALA  66   2.799  -1.933  -5.380
  506   3HB   ALA  66          1HB       ALA  66   3.255  -1.536  -7.055
  507    H    ARG  67           H        ARG  67   0.933  -4.192  -5.430
  508    HA   ARG  67           HA       ARG  67   1.829  -4.590  -2.747
  509   1HB   ARG  67          2HB       ARG  67  -0.547  -4.156  -3.378
  510   2HB   ARG  67          1HB       ARG  67  -0.669  -5.825  -3.929
  511   1HG   ARG  67          2HG       ARG  67   0.257  -5.165  -1.120
  512   2HG   ARG  67          1HG       ARG  67  -1.466  -5.276  -1.546
  513   1HD   ARG  67          2HD       ARG  67  -0.205  -7.502  -2.670
  514   2HD   ARG  67          1HD       ARG  67   0.483  -7.350  -1.032
  515    HE   ARG  67           HE       ARG  67  -2.325  -8.009  -1.641
  516   1HH1  ARG  67          1HH1      ARG  67  -2.341  -5.989   0.540
  517   2HH1  ARG  67          2HH1      ARG  67  -2.156  -6.931   1.948
  518   1HH2  ARG  67          1HH2      ARG  67  -1.004  -9.722   0.130
  519   2HH2  ARG  67          2HH2      ARG  67  -1.362  -9.169   1.750
  520    H    ASP  68           H        ASP  68   0.819  -6.938  -5.239
  521    HA   ASP  68           HA       ASP  68   1.563  -9.282  -3.834
  522   1HB   ASP  68          2HB       ASP  68   0.940  -8.766  -6.682
  523   2HB   ASP  68          1HB       ASP  68   1.851 -10.233  -6.328
  524    H    ALA  69           H        ALA  69   3.459  -7.015  -5.639
  525    HA   ALA  69           HA       ALA  69   5.818  -8.646  -6.049
  526   1HB   ALA  69          3HB       ALA  69   4.958  -5.981  -6.777
  527   2HB   ALA  69          2HB       ALA  69   6.559  -5.901  -6.009
  528   3HB   ALA  69          1HB       ALA  69   6.313  -6.889  -7.420
  529    H    LEU  70           H        LEU  70   4.887  -6.088  -3.717
  530    HA   LEU  70           HA       LEU  70   7.043  -7.223  -1.895
  531   1HB   LEU  70          2HB       LEU  70   7.346  -5.123  -0.876
  532   2HB   LEU  70          1HB       LEU  70   7.514  -4.845  -2.619
  533    HG   LEU  70           HG       LEU  70   4.785  -4.547  -1.815
  534   1HD1  LEU  70          3HD1      LEU  70   6.256  -3.919   0.346
  535   2HD1  LEU  70          2HD1      LEU  70   6.457  -2.383  -0.524
  536   3HD1  LEU  70          1HD1      LEU  70   4.849  -2.998  -0.102
  537   1HD2  LEU  70          2HD2      LEU  70   5.895  -3.576  -3.782
  538   2HD2  LEU  70          1HD2      LEU  70   5.104  -2.327  -2.840
  539   3HD2  LEU  70          3HD2      LEU  70   6.856  -2.500  -2.756
  540    H    GLN  71           H        GLN  71   4.651  -8.443  -2.129
  541    HA   GLN  71           HA       GLN  71   2.664  -7.518  -0.282
  542   1HB   GLN  71          2HB       GLN  71   1.400  -9.002  -1.351
  543   2HB   GLN  71          1HB       GLN  71   2.827  -9.283  -2.387
  544   1HG   GLN  71          2HG       GLN  71   2.058 -10.870   0.058
  545   2HG   GLN  71          1HG       GLN  71   1.876 -11.364  -1.591
  546   1HE2  GLN  71          1HE2      GLN  71   5.434 -11.838  -2.166
  547   2HE2  GLN  71          2HE2      GLN  71   4.062 -11.210  -2.920
  548    H    GLY  72           H        GLY  72   5.651  -8.901   0.314
  549   1HA   GLY  72          2HA       GLY  72   4.905  -9.520   3.023
  550   2HA   GLY  72          1HA       GLY  72   5.416 -10.969   2.130
  551    H    PHE  73           H        PHE  73   6.381  -7.585   2.144
  552    HA   PHE  73           HA       PHE  73   9.170  -8.106   1.729
  553   1HB   PHE  73          2HB       PHE  73   7.756  -5.976   1.409
  554   2HB   PHE  73          1HB       PHE  73   8.119  -5.658   3.103
  555    HD1  PHE  73           HD2      PHE  73  10.798  -5.985   3.747
  556    HD2  PHE  73           HD1      PHE  73   9.249  -5.164  -0.179
  557    HE1  PHE  73           HE2      PHE  73  12.953  -5.166   3.040
  558    HE2  PHE  73           HE1      PHE  73  11.394  -4.330  -0.919
  559    HZ   PHE  73           HZ       PHE  73  13.327  -4.309   0.703
  560    H    LYS  74           H        LYS  74   9.589  -9.770   3.187
  561    HA   LYS  74           HA       LYS  74   9.279  -9.480   6.049
  562   1HB   LYS  74          2HB       LYS  74  10.982 -11.443   6.126
  563   2HB   LYS  74          1HB       LYS  74   9.550 -11.787   5.186
  564   1HG   LYS  74          2HG       LYS  74  10.744 -12.141   3.370
  565   2HG   LYS  74          1HG       LYS  74  11.426 -10.501   3.465
  566   1HD   LYS  74          2HD       LYS  74  13.285 -11.176   4.664
  567   2HD   LYS  74          1HD       LYS  74  12.544 -12.721   5.168
  568   1HE   LYS  74          2HE       LYS  74  14.268 -12.854   3.328
  569   2HE   LYS  74          1HE       LYS  74  12.716 -13.582   2.955
  570   1HZ   LYS  74          1HZ       LYS  74  13.314 -10.753   2.356
  571   2HZ   LYS  74          3HZ       LYS  74  13.865 -11.912   1.270
  572   3HZ   LYS  74          2HZ       LYS  74  12.186 -11.728   1.564
  573    H    ILE  75           H        ILE  75  10.034  -7.406   6.327
  574    HA   ILE  75           HA       ILE  75  12.467  -6.314   5.562
  575    HB   ILE  75           HB       ILE  75  10.569  -5.952   7.895
  576   1HG1  ILE  75          2HG1      ILE  75  11.190  -3.533   6.833
  577   2HG1  ILE  75          1HG1      ILE  75  11.395  -4.570   5.392
  578   1HG2  ILE  75          2HG2      ILE  75  13.436  -5.025   7.840
  579   2HG2  ILE  75          1HG2      ILE  75  12.191  -3.923   8.416
  580   3HG2  ILE  75          3HG2      ILE  75  12.415  -5.431   9.243
  581   1HD1  ILE  75          3HD1      ILE  75   8.965  -5.308   6.717
  582   2HD1  ILE  75          2HD1      ILE  75   9.031  -3.535   6.496
  583   3HD1  ILE  75          1HD1      ILE  75   9.156  -4.603   5.133
  584    H    THR  76           H        THR  76  11.881  -8.638   8.036
  585    HA   THR  76           HA       THR  76  14.855  -8.860   8.324
  586    HB   THR  76           HB       THR  76  12.832  -9.006  10.636
  587    HG1  THR  76          1HG       THR  76  14.770  -7.039  10.436
  588   1HG2  THR  76          2HG2      THR  76  15.831  -9.048  10.519
  589   2HG2  THR  76          1HG2      THR  76  14.879  -8.955  12.018
  590   3HG2  THR  76          3HG2      THR  76  14.778 -10.394  10.993
  591    H    GLN  77           H        GLN  77  11.816 -10.431   8.812
  592    HA   GLN  77           HA       GLN  77  11.781 -12.736   7.648
  593   1HB   GLN  77          2HB       GLN  77  14.047 -13.502   8.233
  594   2HB   GLN  77          1HB       GLN  77  13.832 -12.919   9.853
  595   1HG   GLN  77          2HG       GLN  77  13.040 -14.904  10.550
  596   2HG   GLN  77          1HG       GLN  77  11.776 -14.821   9.283
  597   1HE2  GLN  77          1HE2      GLN  77  15.208 -17.031   8.697
  598   2HE2  GLN  77          2HE2      GLN  77  15.030 -16.077  10.088
  599    H    ASN  78           H        ASN  78  11.958 -11.511  10.874
  600    HA   ASN  78           HA       ASN  78   9.431 -12.809  11.667
  601   1HB   ASN  78          2HB       ASN  78  11.750 -12.502  13.035
  602   2HB   ASN  78          1HB       ASN  78  11.005 -10.973  13.475
  603   1HD2  ASN  78          2HD2      ASN  78   9.239 -14.535  14.628
  604   2HD2  ASN  78          1HD2      ASN  78  10.184 -14.482  13.248
  605    H    ASN  79           H        ASN  79  10.985  -9.870  10.791
  606    HA   ASN  79           HA       ASN  79   8.671  -8.137  11.418
  607   1HB   ASN  79          2HB       ASN  79  11.281  -7.338  10.100
  608   2HB   ASN  79          1HB       ASN  79  10.134  -6.300  10.939
  609   1HD2  ASN  79          2HD2      ASN  79  12.210  -6.415  13.750
  610   2HD2  ASN  79          1HD2      ASN  79  11.513  -5.478  12.513
  611    H    ALA  80           H        ALA  80   7.178  -8.178   9.793
  612    HA   ALA  80           HA       ALA  80   8.066  -8.102   6.957
  613   1HB   ALA  80          1HB       ALA  80   6.580 -10.123   8.214
  614   2HB   ALA  80          3HB       ALA  80   5.435  -9.202   7.237
  615   3HB   ALA  80          2HB       ALA  80   6.893  -9.900   6.469
  616    H    MET  81           H        MET  81   7.261  -6.519   5.811
  617    HA   MET  81           HA       MET  81   6.047  -4.275   6.977
  618   1HB   MET  81          2HB       MET  81   6.783  -3.562   4.998
  619   2HB   MET  81          1HB       MET  81   6.759  -5.205   4.358
  620   1HG   MET  81          2HG       MET  81   4.083  -3.869   4.481
  621   2HG   MET  81          1HG       MET  81   5.205  -3.378   3.256
  622   1HE   MET  81          1HE       MET  81   2.509  -4.943   3.907
  623   2HE   MET  81          3HE       MET  81   2.365  -5.416   2.211
  624   3HE   MET  81          2HE       MET  81   2.495  -6.662   3.462
  625    H    LYS  82           H        LYS  82   3.782  -3.379   6.968
  626    HA   LYS  82           HA       LYS  82   1.705  -5.384   6.305
  627   1HB   LYS  82          2HB       LYS  82   1.594  -3.590   8.760
  628   2HB   LYS  82          1HB       LYS  82   0.511  -4.873   8.337
  629   1HG   LYS  82          2HG       LYS  82   3.518  -5.256   8.827
  630   2HG   LYS  82          1HG       LYS  82   2.326  -5.312  10.116
  631   1HD   LYS  82          2HD       LYS  82   2.748  -7.259   7.844
  632   2HD   LYS  82          1HD       LYS  82   2.576  -7.541   9.558
  633   1HE   LYS  82          2HE       LYS  82   0.225  -6.582   9.336
  634   2HE   LYS  82          1HE       LYS  82   0.337  -6.953   7.647
  635   1HZ   LYS  82          1HZ       LYS  82   1.291  -9.228   8.636
  636   2HZ   LYS  82          3HZ       LYS  82   0.272  -8.772   9.938
  637   3HZ   LYS  82          2HZ       LYS  82  -0.361  -8.999   8.381
  638    H    ILE  83           H        ILE  83   0.629  -4.651   4.798
  639    HA   ILE  83           HA       ILE  83   0.095  -1.803   4.113
  640    HB   ILE  83           HB       ILE  83   0.940  -4.185   2.471
  641   1HG1  ILE  83          2HG1      ILE  83   2.002  -1.381   2.764
  642   2HG1  ILE  83          1HG1      ILE  83   2.709  -2.832   3.489
  643   1HG2  ILE  83          1HG2      ILE  83  -1.045  -2.992   1.387
  644   2HG2  ILE  83          3HG2      ILE  83  -0.077  -1.510   1.451
  645   3HG2  ILE  83          2HG2      ILE  83   0.441  -2.874   0.476
  646   1HD1  ILE  83          2HD1      ILE  83   2.334  -3.096   0.616
  647   2HD1  ILE  83          1HD1      ILE  83   3.471  -1.819   1.027
  648   3HD1  ILE  83          3HD1      ILE  83   3.760  -3.457   1.586
  649    H    SER  84           H        SER  84  -2.008  -1.480   4.204
  650    HA   SER  84           HA       SER  84  -3.913  -3.695   4.109
  651   1HB   SER  84          2HB       SER  84  -3.675  -2.737   6.348
  652   2HB   SER  84          1HB       SER  84  -4.206  -1.161   5.733
  653    HG   SER  84           HG       SER  84  -5.626  -3.602   5.798
  654    H    PHE  85           H        PHE  85  -4.722  -3.525   2.057
  655    HA   PHE  85           HA       PHE  85  -4.894  -1.501   0.278
  656   1HB   PHE  85          2HB       PHE  85  -6.741  -3.734   0.953
  657   2HB   PHE  85          1HB       PHE  85  -7.134  -2.708  -0.405
  658    HD1  PHE  85           HD2      PHE  85  -5.578  -2.422  -2.334
  659    HD2  PHE  85           HD1      PHE  85  -5.049  -5.471   0.684
  660    HE1  PHE  85           HE2      PHE  85  -4.120  -3.631  -3.874
  661    HE2  PHE  85           HE1      PHE  85  -3.598  -6.674  -0.851
  662    HZ   PHE  85           HZ       PHE  85  -3.098  -5.791  -3.174
  663    H    ALA  86           H        ALA  86  -5.488   0.336   2.097
  664    HA   ALA  86           HA       ALA  86  -6.960   1.788   3.096
  665   1HB   ALA  86          3HB       ALA  86  -7.781   1.278   0.295
  666   2HB   ALA  86          2HB       ALA  86  -9.020   2.027   1.251
  667   3HB   ALA  86          1HB       ALA  86  -7.451   2.811   1.115
  668    H    LYS  87           H        LYS  87  -7.744  -1.280   3.460
  669    HA   LYS  87           HA       LYS  87  -9.691  -1.199   5.321
  670   1HB   LYS  87          2HB       LYS  87 -10.937  -0.693   2.672
  671   2HB   LYS  87          1HB       LYS  87 -11.560  -2.133   3.433
  672   1HG   LYS  87          2HG       LYS  87 -11.398   0.608   4.680
  673   2HG   LYS  87          1HG       LYS  87 -12.876  -0.211   4.081
  674   1HD   LYS  87          2HD       LYS  87 -12.119  -2.162   5.632
  675   2HD   LYS  87          1HD       LYS  87 -11.250  -0.874   6.499
  676   1HE   LYS  87          2HE       LYS  87 -13.098   0.217   7.162
  677   2HE   LYS  87          1HE       LYS  87 -13.990  -0.251   5.692
  678   1HZ   LYS  87          3HZ       LYS  87 -13.466  -2.579   7.134
  679   2HZ   LYS  87          2HZ       LYS  87 -14.177  -1.431   8.203
  680   3HZ   LYS  87          1HZ       LYS  87 -14.974  -1.906   6.790
  681    H    LYS  88           H        LYS  88 -10.386  -3.314   5.781
  682    HA   LYS  88           HA       LYS  88 -10.089  -5.675   5.918
  683   1HB   LYS  88          2HB       LYS  88 -10.014  -5.459   2.851
  684   2HB   LYS  88          1HB       LYS  88 -10.406  -6.885   3.844
  685   1HG   LYS  88          2HG       LYS  88 -11.989  -4.277   3.804
  686   2HG   LYS  88          1HG       LYS  88 -12.422  -5.701   2.897
  687   1HD   LYS  88          2HD       LYS  88 -12.547  -7.077   4.936
  688   2HD   LYS  88          1HD       LYS  88 -12.001  -5.714   5.880
  689   1HE   LYS  88          2HE       LYS  88 -14.032  -4.435   5.379
  690   2HE   LYS  88          1HE       LYS  88 -14.594  -5.738   4.317
  691   1HZ   LYS  88          3HZ       LYS  88 -13.868  -6.159   7.130
  692   2HZ   LYS  88          2HZ       LYS  88 -15.466  -5.770   6.675
  693   3HZ   LYS  88          1HZ       LYS  88 -14.727  -7.210   6.129
   
  No H/Q in entry =         693
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1 -28.444  -4.307   5.260
    2   2H    MET   1          3H        MET   1 -29.952  -4.941   5.749
    3   3H    MET   1          2H        MET   1 -29.861  -3.533   4.781
    4    HA   MET   1           HA       MET   1 -29.521  -2.184   6.536
    5   1HB   MET   1          2HB       MET   1 -31.438  -3.566   7.366
    6   2HB   MET   1          1HB       MET   1 -30.301  -4.794   7.877
    7   1HG   MET   1          2HG       MET   1 -29.693  -3.726   9.776
    8   2HG   MET   1          1HG       MET   1 -29.731  -2.156   9.015
    9   1HE   MET   1          2HE       MET   1 -30.415  -2.962  11.697
   10   2HE   MET   1          1HE       MET   1 -31.272  -1.451  11.662
   11   3HE   MET   1          3HE       MET   1 -32.107  -2.880  12.217
   12    H    ALA   2           H        ALA   2 -27.488  -1.570   6.862
   13    HA   ALA   2           HA       ALA   2 -25.806  -3.018   8.804
   14   1HB   ALA   2          2HB       ALA   2 -25.025  -2.525   5.901
   15   2HB   ALA   2          1HB       ALA   2 -23.874  -2.812   7.199
   16   3HB   ALA   2          3HB       ALA   2 -25.051  -4.056   6.725
   17    HA   PRO   3           HA       PRO   3 -25.528   1.491   9.220
   18   1HB   PRO   3          2HB       PRO   3 -24.986   1.560  11.869
   19   2HB   PRO   3          1HB       PRO   3 -26.623   1.486  11.210
   20   1HG   PRO   3          2HG       PRO   3 -25.091  -0.611  12.595
   21   2HG   PRO   3          1HG       PRO   3 -26.837  -0.560  12.255
   22   1HD   PRO   3          2HD       PRO   3 -24.853  -2.086  10.849
   23   2HD   PRO   3          1HD       PRO   3 -26.582  -1.995  10.521
   24    H    ALA   4           H        ALA   4 -23.308  -1.082   9.722
   25    HA   ALA   4           HA       ALA   4 -21.041   0.696  10.376
   26   1HB   ALA   4          3HB       ALA   4 -21.422  -2.300  10.471
   27   2HB   ALA   4          2HB       ALA   4 -19.826  -1.514  10.493
   28   3HB   ALA   4          1HB       ALA   4 -20.981  -1.193  11.764
   29    H    GLN   5           H        GLN   5 -21.672   1.481   8.002
   30    HA   GLN   5           HA       GLN   5 -20.816  -0.349   5.894
   31   1HB   GLN   5          2HB       GLN   5 -21.598   1.278   4.333
   32   2HB   GLN   5          1HB       GLN   5 -22.668   1.417   5.716
   33   1HG   GLN   5          2HG       GLN   5 -21.151   3.258   6.571
   34   2HG   GLN   5          1HG       GLN   5 -20.338   3.237   4.996
   35   1HE2  GLN   5          2HE2      GLN   5 -24.297   4.205   4.605
   36   2HE2  GLN   5          1HE2      GLN   5 -23.931   2.796   5.422
   37    HA   PRO   6           HA       PRO   6 -20.282  -0.014   3.864
   38   1HB   PRO   6          2HB       PRO   6 -18.353  -0.436   1.985
   39   2HB   PRO   6          1HB       PRO   6 -19.180   1.095   2.206
   40   1HG   PRO   6          2HG       PRO   6 -16.369   0.382   2.828
   41   2HG   PRO   6          1HG       PRO   6 -17.092   2.007   2.701
   42   1HD   PRO   6          2HD       PRO   6 -16.618   0.362   5.096
   43   2HD   PRO   6          1HD       PRO   6 -17.035   2.073   4.946
   44    H    LEU   7           H        LEU   7 -17.089  -1.458   3.408
   45    HA   LEU   7           HA       LEU   7 -17.919  -3.856   4.967
   46   1HB   LEU   7          2HB       LEU   7 -17.401  -3.715   1.962
   47   2HB   LEU   7          1HB       LEU   7 -17.141  -5.219   2.853
   48    HG   LEU   7           HG       LEU   7 -19.624  -4.730   3.681
   49   1HD1  LEU   7          1HD1      LEU   7 -19.290  -2.543   2.003
   50   2HD1  LEU   7          3HD1      LEU   7 -20.211  -3.662   1.031
   51   3HD1  LEU   7          2HD1      LEU   7 -20.789  -3.192   2.627
   52   1HD2  LEU   7          3HD2      LEU   7 -18.565  -5.829   1.077
   53   2HD2  LEU   7          2HD2      LEU   7 -19.150  -6.696   2.493
   54   3HD2  LEU   7          1HD2      LEU   7 -20.316  -5.937   1.428
   55    H    SER   8           H        SER   8 -16.103  -5.593   4.607
   56    HA   SER   8           HA       SER   8 -13.544  -4.433   5.471
   57   1HB   SER   8          2HB       SER   8 -12.777  -6.777   5.510
   58   2HB   SER   8          1HB       SER   8 -14.174  -6.440   6.548
   59    HG   SER   8           HG       SER   8 -15.054  -8.020   5.489
   60    H    GLU   9           H        GLU   9 -14.852  -6.035   2.601
   61    HA   GLU   9           HA       GLU   9 -12.351  -6.047   1.090
   62   1HB   GLU   9          2HB       GLU   9 -14.768  -7.272   0.716
   63   2HB   GLU   9          1HB       GLU   9 -14.871  -5.901  -0.423
   64   1HG   GLU   9          2HG       GLU   9 -12.535  -6.570  -1.175
   65   2HG   GLU   9          1HG       GLU   9 -12.779  -8.057  -0.228
   66    H    ASN  10           H        ASN  10 -15.286  -4.137   0.488
   67    HA   ASN  10           HA       ASN  10 -15.605  -2.002  -0.451
   68   1HB   ASN  10          2HB       ASN  10 -14.676  -1.487   1.853
   69   2HB   ASN  10          1HB       ASN  10 -13.080  -1.451   1.126
   70   1HD2  ASN  10          2HD2      ASN  10 -13.880   2.079   0.599
   71   2HD2  ASN  10          1HD2      ASN  10 -12.877   0.977   1.413
   72    HA   PRO  11           HA       PRO  11 -12.211  -2.639  -3.522
   73   1HB   PRO  11          2HB       PRO  11 -14.132  -3.791  -5.377
   74   2HB   PRO  11          1HB       PRO  11 -12.669  -4.577  -4.740
   75   1HG   PRO  11          2HG       PRO  11 -15.093  -5.539  -3.987
   76   2HG   PRO  11          1HG       PRO  11 -13.720  -5.487  -2.869
   77   1HD   PRO  11          2HD       PRO  11 -15.932  -3.410  -3.222
   78   2HD   PRO  11          1HD       PRO  11 -15.407  -4.226  -1.731
   79    HA   PRO  12           HA       PRO  12 -12.188  -2.954  -6.140
   80   1HB   PRO  12          2HB       PRO  12 -11.209  -1.292  -8.156
   81   2HB   PRO  12          1HB       PRO  12 -12.591  -2.366  -8.343
   82   1HG   PRO  12          2HG       PRO  12 -12.470   0.561  -8.187
   83   2HG   PRO  12          1HG       PRO  12 -13.883  -0.471  -8.591
   84   1HD   PRO  12          2HD       PRO  12 -13.311   0.851  -6.074
   85   2HD   PRO  12          1HD       PRO  12 -14.751  -0.121  -6.552
   86    H    ASN  13           H        ASN  13 -11.565   0.044  -4.735
   87    HA   ASN  13           HA       ASN  13  -9.789   0.996  -3.697
   88   1HB   ASN  13          2HB       ASN  13  -7.933  -1.285  -4.048
   89   2HB   ASN  13          1HB       ASN  13  -8.254  -0.219  -2.698
   90   1HD2  ASN  13          2HD2      ASN  13 -10.753  -2.216  -1.202
   91   2HD2  ASN  13          1HD2      ASN  13  -9.995  -0.722  -1.178
   92    H    HIS  14           H        HIS  14  -7.122   0.807  -4.110
   93    HA   HIS  14           HA       HIS  14  -5.781   1.069  -6.341
   94   1HB   HIS  14          2HB       HIS  14  -6.104   3.606  -6.933
   95   2HB   HIS  14          1HB       HIS  14  -7.097   2.429  -7.728
   96    HD1  HIS  14           HD1      HIS  14  -7.622   3.571  -4.116
   97    HD2  HIS  14           HD2      HIS  14  -9.388   4.204  -7.782
   98    HE1  HIS  14           HE1      HIS  14  -9.746   4.846  -3.645
   99    HE2  HIS  14           HE2      HIS  14 -10.890   5.261  -5.893
  100    H    ILE  15           H        ILE  15  -6.294   2.262  -3.211
  101    HA   ILE  15           HA       ILE  15  -3.748   3.754  -3.143
  102    HB   ILE  15           HB       ILE  15  -6.377   4.715  -2.040
  103   1HG1  ILE  15          2HG1      ILE  15  -3.906   6.174  -3.037
  104   2HG1  ILE  15          1HG1      ILE  15  -5.094   5.600  -4.164
  105   1HG2  ILE  15          2HG2      ILE  15  -3.593   4.931  -0.860
  106   2HG2  ILE  15          1HG2      ILE  15  -4.791   6.204  -0.573
  107   3HG2  ILE  15          3HG2      ILE  15  -5.096   4.523  -0.080
  108   1HD1  ILE  15          1HD1      ILE  15  -6.330   7.054  -1.941
  109   2HD1  ILE  15          3HD1      ILE  15  -5.178   8.043  -2.883
  110   3HD1  ILE  15          2HD1      ILE  15  -6.544   7.291  -3.671
  111    H    LEU  16           H        LEU  16  -2.461   2.539  -1.771
  112    HA   LEU  16           HA       LEU  16  -3.763   0.865   0.320
  113   1HB   LEU  16          2HB       LEU  16  -0.982   0.605  -0.866
  114   2HB   LEU  16          1HB       LEU  16  -1.834  -0.641   0.045
  115    HG   LEU  16           HG       LEU  16  -3.300   0.108  -2.325
  116   1HD1  LEU  16          2HD1      LEU  16  -0.963   0.669  -3.172
  117   2HD1  LEU  16          1HD1      LEU  16  -0.479  -0.977  -2.685
  118   3HD1  LEU  16          3HD1      LEU  16  -1.641  -0.738  -3.977
  119   1HD2  LEU  16          3HD2      LEU  16  -2.038  -2.362  -1.075
  120   2HD2  LEU  16          2HD2      LEU  16  -3.736  -1.940  -1.268
  121   3HD2  LEU  16          1HD2      LEU  16  -2.735  -2.418  -2.676
  122    H    PHE  17           H        PHE  17  -3.649   1.727   2.149
  123    HA   PHE  17           HA       PHE  17  -1.357   3.329   3.001
  124   1HB   PHE  17          2HB       PHE  17  -3.151   4.809   3.014
  125   2HB   PHE  17          1HB       PHE  17  -4.268   3.602   3.736
  126    HD1  PHE  17           HD2      PHE  17  -0.770   4.721   4.666
  127    HD2  PHE  17           HD1      PHE  17  -4.816   4.048   5.979
  128    HE1  PHE  17           HE2      PHE  17  -0.134   5.273   6.964
  129    HE2  PHE  17           HE1      PHE  17  -4.178   4.585   8.229
  130    HZ   PHE  17           HZ       PHE  17  -1.793   5.206   8.755
  131    H    LEU  18           H        LEU  18  -0.348   2.638   4.647
  132    HA   LEU  18           HA       LEU  18  -1.149   1.463   6.905
  133   1HB   LEU  18          2HB       LEU  18  -1.164  -0.828   5.031
  134   2HB   LEU  18          1HB       LEU  18  -0.513  -1.062   6.591
  135    HG   LEU  18           HG       LEU  18  -3.225   0.074   6.335
  136   1HD1  LEU  18          2HD1      LEU  18  -2.481  -2.459   5.917
  137   2HD1  LEU  18          1HD1      LEU  18  -2.150  -2.397   7.656
  138   3HD1  LEU  18          3HD1      LEU  18  -3.801  -2.170   7.069
  139   1HD2  LEU  18          1HD2      LEU  18  -1.232   0.124   8.386
  140   2HD2  LEU  18          3HD2      LEU  18  -2.813   0.883   8.382
  141   3HD2  LEU  18          2HD2      LEU  18  -2.686  -0.771   8.905
  142    H    THR  19           H        THR  19   0.913  -0.249   7.355
  143    HA   THR  19           HA       THR  19   3.309   1.387   6.955
  144    HB   THR  19           HB       THR  19   3.205   2.544   8.975
  145    HG1  THR  19          1HG       THR  19   1.935   0.923  10.630
  146   1HG2  THR  19          1HG2      THR  19   0.953   2.861   8.128
  147   2HG2  THR  19          3HG2      THR  19   0.388   1.511   9.147
  148   3HG2  THR  19          2HG2      THR  19   1.069   2.966   9.860
  149    H    ASN  20           H        ASN  20   4.851   0.403   8.552
  150    HA   ASN  20           HA       ASN  20   5.340  -1.353  10.045
  151   1HB   ASN  20          2HB       ASN  20   3.437  -2.829   9.466
  152   2HB   ASN  20          1HB       ASN  20   4.266  -3.328   7.979
  153   1HD2  ASN  20          1HD2      ASN  20   5.066  -5.784  10.589
  154   2HD2  ASN  20          2HD2      ASN  20   3.681  -5.285   9.764
  155    H    LEU  21           H        LEU  21   6.751   0.339   8.650
  156    HA   LEU  21           HA       LEU  21   8.834  -1.316   7.306
  157   1HB   LEU  21          2HB       LEU  21   8.688   1.491   6.630
  158   2HB   LEU  21          1HB       LEU  21   8.767   0.086   5.544
  159    HG   LEU  21           HG       LEU  21   6.159   0.911   6.874
  160   1HD1  LEU  21          3HD1      LEU  21   7.110   2.737   5.404
  161   2HD1  LEU  21          2HD1      LEU  21   6.857   1.583   4.054
  162   3HD1  LEU  21          1HD1      LEU  21   5.530   2.132   5.027
  163   1HD2  LEU  21          1HD2      LEU  21   6.553  -1.447   5.880
  164   2HD2  LEU  21          3HD2      LEU  21   5.189  -0.479   5.282
  165   3HD2  LEU  21          2HD2      LEU  21   6.670  -0.568   4.344
  166    HA   PRO  22           HA       PRO  22  10.876   0.387  10.956
  167   1HB   PRO  22          2HB       PRO  22  13.432  -0.616   9.989
  168   2HB   PRO  22          1HB       PRO  22  12.446  -1.123  11.361
  169   1HG   PRO  22          2HG       PRO  22  12.727  -2.613   8.935
  170   2HG   PRO  22          1HG       PRO  22  11.560  -2.907  10.249
  171   1HD   PRO  22          2HD       PRO  22  11.130  -1.717   7.590
  172   2HD   PRO  22          1HD       PRO  22   9.932  -2.367   8.730
  173    H    GLU  23           H        GLU  23  13.684   1.288  10.791
  174    HA   GLU  23           HA       GLU  23  13.302   3.720   9.138
  175   1HB   GLU  23          2HB       GLU  23  14.620   3.187  11.670
  176   2HB   GLU  23          1HB       GLU  23  15.823   3.718  10.497
  177   1HG   GLU  23          2HG       GLU  23  14.543   5.697   9.919
  178   2HG   GLU  23          1HG       GLU  23  13.284   5.188  11.055
  179    H    GLU  24           H        GLU  24  14.544   0.653   8.756
  180    HA   GLU  24           HA       GLU  24  16.946   1.506   7.301
  181   1HB   GLU  24          2HB       GLU  24  17.486  -0.767   7.473
  182   2HB   GLU  24          1HB       GLU  24  16.141  -0.816   8.580
  183   1HG   GLU  24          2HG       GLU  24  14.588  -1.222   6.587
  184   2HG   GLU  24          1HG       GLU  24  16.020  -1.546   5.654
  185    H    THR  25           H        THR  25  13.657   1.213   6.794
  186    HA   THR  25           HA       THR  25  13.457   0.629   3.944
  187    HB   THR  25           HB       THR  25  11.143   1.649   4.350
  188    HG1  THR  25          1HG       THR  25  10.831   2.743   6.165
  189   1HG2  THR  25          1HG2      THR  25  12.289  -0.394   6.298
  190   2HG2  THR  25          3HG2      THR  25  10.610   0.077   6.400
  191   3HG2  THR  25          2HG2      THR  25  11.223  -0.678   4.901
  192    H    ASN  26           H        ASN  26  12.440   2.408   2.515
  193    HA   ASN  26           HA       ASN  26  13.024   5.113   3.384
  194   1HB   ASN  26          2HB       ASN  26  14.919   5.678   2.369
  195   2HB   ASN  26          1HB       ASN  26  15.213   3.913   2.488
  196   1HD2  ASN  26          1HD2      ASN  26  15.814   3.745  -0.891
  197   2HD2  ASN  26          2HD2      ASN  26  16.230   3.228   0.664
  198    H    GLU  27           H        GLU  27  12.407   6.756   1.870
  199    HA   GLU  27           HA       GLU  27   9.856   6.356   0.731
  200   1HB   GLU  27          2HB       GLU  27  11.451   8.677  -0.187
  201   2HB   GLU  27          1HB       GLU  27   9.755   8.577   0.238
  202   1HG   GLU  27          2HG       GLU  27  10.349   9.554   2.147
  203   2HG   GLU  27          1HG       GLU  27  10.879   7.920   2.601
  204    H    LEU  28           H        LEU  28  13.042   6.670  -0.809
  205    HA   LEU  28           HA       LEU  28  12.095   6.684  -3.523
  206   1HB   LEU  28          2HB       LEU  28  14.208   7.719  -3.305
  207   2HB   LEU  28          1HB       LEU  28  14.770   6.474  -2.181
  208    HG   LEU  28           HG       LEU  28  14.874   4.823  -4.077
  209   1HD1  LEU  28          1HD1      LEU  28  13.856   7.230  -5.527
  210   2HD1  LEU  28          3HD1      LEU  28  14.942   6.180  -6.393
  211   3HD1  LEU  28          2HD1      LEU  28  13.441   5.517  -5.810
  212   1HD2  LEU  28          3HD2      LEU  28  16.410   7.413  -4.325
  213   2HD2  LEU  28          2HD2      LEU  28  16.954   5.928  -3.552
  214   3HD2  LEU  28          1HD2      LEU  28  16.758   5.969  -5.280
  215    H    MET  29           H        MET  29  12.773   4.393  -1.097
  216    HA   MET  29           HA       MET  29  13.348   2.126  -2.757
  217   1HB   MET  29          2HB       MET  29  13.855   2.523  -0.251
  218   2HB   MET  29          1HB       MET  29  12.199   2.130   0.091
  219   1HG   MET  29          2HG       MET  29  13.194   0.168  -1.752
  220   2HG   MET  29          1HG       MET  29  14.424   0.351  -0.469
  221   1HE   MET  29          3HE       MET  29  14.444  -1.862   0.362
  222   2HE   MET  29          2HE       MET  29  12.995  -2.826   0.752
  223   3HE   MET  29          1HE       MET  29  13.354  -2.311  -0.922
  224    H    LEU  30           H        LEU  30  10.655   3.133  -0.715
  225    HA   LEU  30           HA       LEU  30   8.789   1.255  -1.761
  226   1HB   LEU  30          2HB       LEU  30   8.674   3.551   0.056
  227   2HB   LEU  30          1HB       LEU  30   7.130   3.137  -0.710
  228    HG   LEU  30           HG       LEU  30   8.099   0.636  -0.030
  229   1HD1  LEU  30          1HD1      LEU  30   9.027   2.627   2.003
  230   2HD1  LEU  30          3HD1      LEU  30   8.905   0.892   2.334
  231   3HD1  LEU  30          2HD1      LEU  30  10.016   1.477   1.081
  232   1HD2  LEU  30          1HD2      LEU  30   6.027   2.358   0.672
  233   2HD2  LEU  30          3HD2      LEU  30   6.167   0.683   1.252
  234   3HD2  LEU  30          2HD2      LEU  30   6.799   2.057   2.215
  235    H    SER  31           H        SER  31   9.694   4.499  -2.604
  236    HA   SER  31           HA       SER  31   7.614   5.178  -4.439
  237   1HB   SER  31          2HB       SER  31  10.401   6.131  -4.104
  238   2HB   SER  31          1HB       SER  31   9.422   6.706  -5.458
  239    HG   SER  31           HG       SER  31   8.608   6.851  -2.765
  240    H    MET  32           H        MET  32  10.917   3.793  -4.976
  241    HA   MET  32           HA       MET  32  10.397   3.422  -7.817
  242   1HB   MET  32          2HB       MET  32  12.507   2.518  -7.933
  243   2HB   MET  32          1HB       MET  32  12.690   3.497  -6.480
  244   1HG   MET  32          2HG       MET  32  12.398   1.587  -5.021
  245   2HG   MET  32          1HG       MET  32  12.036   0.531  -6.382
  246   1HE   MET  32          3HE       MET  32  14.464   2.883  -4.674
  247   2HE   MET  32          2HE       MET  32  14.859   1.319  -3.972
  248   3HE   MET  32          1HE       MET  32  16.054   2.141  -4.941
  249    H    LEU  33           H        LEU  33   9.725   1.415  -4.938
  250    HA   LEU  33           HA       LEU  33   9.389  -1.082  -6.351
  251   1HB   LEU  33          2HB       LEU  33   9.096  -0.084  -3.617
  252   2HB   LEU  33          1HB       LEU  33   7.787  -1.159  -4.103
  253    HG   LEU  33           HG       LEU  33  10.766  -1.677  -4.192
  254   1HD1  LEU  33          1HD1      LEU  33   8.565  -2.681  -2.377
  255   2HD1  LEU  33          3HD1      LEU  33  10.161  -3.469  -2.535
  256   3HD1  LEU  33          2HD1      LEU  33   9.996  -1.780  -1.975
  257   1HD2  LEU  33          1HD2      LEU  33   8.399  -3.245  -5.256
  258   2HD2  LEU  33          3HD2      LEU  33  10.011  -3.007  -5.964
  259   3HD2  LEU  33          2HD2      LEU  33   9.765  -4.113  -4.603
  260    H    PHE  34           H        PHE  34   7.546   1.670  -5.359
  261    HA   PHE  34           HA       PHE  34   5.072   0.509  -6.420
  262   1HB   PHE  34          2HB       PHE  34   5.568   3.276  -5.245
  263   2HB   PHE  34          1HB       PHE  34   4.013   2.750  -5.939
  264    HD1  PHE  34           HD1      PHE  34   3.752  -0.016  -5.148
  265    HD2  PHE  34           HD2      PHE  34   5.471   3.252  -2.914
  266    HE1  PHE  34           HE1      PHE  34   3.285  -1.209  -3.116
  267    HE2  PHE  34           HE2      PHE  34   4.982   2.022  -0.861
  268    HZ   PHE  34           HZ       PHE  34   3.905  -0.204  -0.930
  269    H    ASN  35           H        ASN  35   7.636   2.413  -7.526
  270    HA   ASN  35           HA       ASN  35   6.502   3.630  -9.823
  271   1HB   ASN  35          2HB       ASN  35   8.714   4.273  -8.826
  272   2HB   ASN  35          1HB       ASN  35   9.395   2.765  -9.380
  273   1HD2  ASN  35          2HD2      ASN  35   9.804   5.678 -11.874
  274   2HD2  ASN  35          1HD2      ASN  35   9.861   5.724 -10.172
  275    H    GLN  36           H        GLN  36   8.174   0.615  -9.234
  276    HA   GLN  36           HA       GLN  36   8.760  -0.777 -11.359
  277   1HB   GLN  36          2HB       GLN  36   6.934  -1.361  -9.114
  278   2HB   GLN  36          1HB       GLN  36   6.974  -2.588 -10.332
  279   1HG   GLN  36          2HG       GLN  36   9.562  -1.441  -9.238
  280   2HG   GLN  36          1HG       GLN  36   8.723  -2.755  -8.371
  281   1HE2  GLN  36          1HE2      GLN  36  11.051  -4.557 -10.497
  282   2HE2  GLN  36          2HE2      GLN  36  11.002  -3.668  -9.082
  283    H    PHE  37           H        PHE  37   5.468   0.004 -10.563
  284    HA   PHE  37           HA       PHE  37   4.196  -1.154 -12.903
  285   1HB   PHE  37          2HB       PHE  37   3.215   0.154 -10.385
  286   2HB   PHE  37          1HB       PHE  37   2.109  -0.535 -11.543
  287    HD1  PHE  37           HD1      PHE  37   2.527  -3.101 -12.216
  288    HD2  PHE  37           HD2      PHE  37   4.375  -1.217  -8.798
  289    HE1  PHE  37           HE1      PHE  37   3.061  -5.303 -11.296
  290    HE2  PHE  37           HE2      PHE  37   4.899  -3.441  -7.873
  291    HZ   PHE  37           HZ       PHE  37   4.254  -5.489  -9.106
  292    HA   PRO  38           HA       PRO  38   3.595   2.648 -15.172
  293   1HB   PRO  38          2HB       PRO  38   1.324   1.925 -16.486
  294   2HB   PRO  38          1HB       PRO  38   2.962   1.399 -16.953
  295   1HG   PRO  38          2HG       PRO  38   0.813  -0.033 -15.431
  296   2HG   PRO  38          1HG       PRO  38   1.921  -0.724 -16.646
  297   1HD   PRO  38          2HD       PRO  38   2.361  -1.062 -13.975
  298   2HD   PRO  38          1HD       PRO  38   3.705  -0.865 -15.147
  299    H    GLY  39           H        GLY  39   1.413   1.178 -13.016
  300   1HA   GLY  39          2HA       GLY  39  -0.688   3.140 -12.866
  301   2HA   GLY  39          1HA       GLY  39  -0.448   1.753 -11.777
  302    H    PHE  40           H        PHE  40   2.423   2.897 -11.762
  303    HA   PHE  40           HA       PHE  40   2.621   3.864  -9.191
  304   1HB   PHE  40          2HB       PHE  40   4.671   3.437 -10.424
  305   2HB   PHE  40          1HB       PHE  40   4.249   4.657 -11.628
  306    HD1  PHE  40           HD1      PHE  40   4.570   4.335  -7.904
  307    HD2  PHE  40           HD2      PHE  40   5.326   6.720 -11.360
  308    HE1  PHE  40           HE1      PHE  40   5.685   6.039  -6.478
  309    HE2  PHE  40           HE2      PHE  40   6.434   8.421  -9.990
  310    HZ   PHE  40           HZ       PHE  40   6.633   8.124  -7.505
  311    H    LYS  41           H        LYS  41   1.217   5.356  -8.487
  312    HA   LYS  41           HA       LYS  41   1.033   7.944  -9.975
  313   1HB   LYS  41          2HB       LYS  41  -0.964   6.300  -8.912
  314   2HB   LYS  41          1HB       LYS  41  -0.882   7.641  -7.811
  315   1HG   LYS  41          2HG       LYS  41  -0.912   9.081 -10.009
  316   2HG   LYS  41          1HG       LYS  41  -1.576   7.598 -10.742
  317   1HD   LYS  41          2HD       LYS  41  -3.139   7.537  -8.678
  318   2HD   LYS  41          1HD       LYS  41  -2.731   9.219  -8.431
  319   1HE   LYS  41          2HE       LYS  41  -3.565   9.916 -10.504
  320   2HE   LYS  41          1HE       LYS  41  -3.634   8.254 -11.134
  321   1HZ   LYS  41          3HZ       LYS  41  -5.181   8.029  -8.969
  322   2HZ   LYS  41          2HZ       LYS  41  -5.471   9.632  -9.390
  323   3HZ   LYS  41          1HZ       LYS  41  -5.747   8.365 -10.528
  324    H    GLU  42           H        GLU  42   0.698   7.012  -6.466
  325    HA   GLU  42           HA       GLU  42   2.502   9.229  -5.822
  326   1HB   GLU  42          2HB       GLU  42  -0.380   9.240  -5.304
  327   2HB   GLU  42          1HB       GLU  42   0.529   9.215  -3.818
  328   1HG   GLU  42          2HG       GLU  42   1.381  11.131  -6.026
  329   2HG   GLU  42          1HG       GLU  42  -0.018  11.496  -4.980
  330    H    VAL  43           H        VAL  43   3.493   9.029  -3.912
  331    HA   VAL  43           HA       VAL  43   3.342   6.569  -2.362
  332    HB   VAL  43           HB       VAL  43   5.882   6.432  -2.534
  333   1HG1  VAL  43          3HG1      VAL  43   4.066   5.909  -4.899
  334   2HG1  VAL  43          2HG1      VAL  43   5.692   5.217  -4.737
  335   3HG1  VAL  43          1HG1      VAL  43   4.406   4.794  -3.593
  336   1HG2  VAL  43          1HG2      VAL  43   5.263   8.340  -4.845
  337   2HG2  VAL  43          3HG2      VAL  43   6.373   8.568  -3.504
  338   3HG2  VAL  43          2HG2      VAL  43   6.762   7.386  -4.739
  339    H    ARG  44           H        ARG  44   3.216   7.189  -0.422
  340    HA   ARG  44           HA       ARG  44   4.332   9.747   0.535
  341   1HB   ARG  44          2HB       ARG  44   1.708   9.316   0.294
  342   2HB   ARG  44          1HB       ARG  44   1.967   8.452   1.803
  343   1HG   ARG  44          2HG       ARG  44   2.849  11.281   1.306
  344   2HG   ARG  44          1HG       ARG  44   1.323  10.820   2.129
  345   1HD   ARG  44          2HD       ARG  44   2.825  11.178   3.903
  346   2HD   ARG  44          1HD       ARG  44   2.992   9.418   3.617
  347    HE   ARG  44           HE       ARG  44   5.210   9.930   3.048
  348   1HH1  ARG  44          1HH1      ARG  44   5.723  11.053   0.769
  349   2HH1  ARG  44          2HH1      ARG  44   5.877  12.770   0.930
  350   1HH2  ARG  44          2HH2      ARG  44   4.316  12.867   4.007
  351   2HH2  ARG  44          1HH2      ARG  44   5.082  13.788   2.752
  352    H    LEU  45           H        LEU  45   6.143   8.984   1.422
  353    HA   LEU  45           HA       LEU  45   5.973   7.096   3.718
  354   1HB   LEU  45          2HB       LEU  45   7.165   6.452   1.426
  355   2HB   LEU  45          1HB       LEU  45   8.485   7.311   2.146
  356    HG   LEU  45           HG       LEU  45   7.826   5.766   4.279
  357   1HD1  LEU  45          1HD1      LEU  45   7.003   4.249   1.809
  358   2HD1  LEU  45          3HD1      LEU  45   7.186   3.538   3.399
  359   3HD1  LEU  45          2HD1      LEU  45   5.922   4.768   3.101
  360   1HD2  LEU  45          1HD2      LEU  45   9.947   5.977   2.728
  361   2HD2  LEU  45          3HD2      LEU  45   9.687   4.499   3.704
  362   3HD2  LEU  45          2HD2      LEU  45   9.340   4.499   1.987
  363    H    VAL  46           H        VAL  46   5.731   8.904   5.050
  364    HA   VAL  46           HA       VAL  46   6.991  11.309   5.117
  365    HB   VAL  46           HB       VAL  46   5.579   9.672   7.168
  366   1HG1  VAL  46          3HG1      VAL  46   7.476  11.986   7.649
  367   2HG1  VAL  46          2HG1      VAL  46   5.892  12.083   8.399
  368   3HG1  VAL  46          1HG1      VAL  46   6.966  10.733   8.766
  369   1HG2  VAL  46          1HG2      VAL  46   4.437  10.991   5.367
  370   2HG2  VAL  46          3HG2      VAL  46   4.078  11.552   7.011
  371   3HG2  VAL  46          2HG2      VAL  46   5.212  12.429   5.980
  372    HA   PRO  47           HA       PRO  47  11.202   9.713   5.785
  373   1HB   PRO  47          2HB       PRO  47  11.318  12.768   5.951
  374   2HB   PRO  47          1HB       PRO  47  12.508  11.610   5.265
  375   1HG   PRO  47          2HG       PRO  47  10.868  12.641   3.454
  376   2HG   PRO  47          1HG       PRO  47  10.870  10.855   3.578
  377   1HD   PRO  47          2HD       PRO  47   8.892  12.724   5.003
  378   2HD   PRO  47          1HD       PRO  47   8.510  11.415   3.872
  379    H    GLY  48           H        GLY  48   9.447  11.934   8.048
  380   1HA   GLY  48          2HA       GLY  48  11.464  11.609  10.064
  381   2HA   GLY  48          1HA       GLY  48   9.749  11.939  10.445
  382    H    ARG  49           H        ARG  49   8.692   9.855   8.948
  383    HA   ARG  49           HA       ARG  49   8.897   7.545  10.758
  384   1HB   ARG  49          2HB       ARG  49   7.130   8.182   8.383
  385   2HB   ARG  49          1HB       ARG  49   7.009   6.752   9.388
  386   1HG   ARG  49          2HG       ARG  49   7.139   8.988  11.105
  387   2HG   ARG  49          1HG       ARG  49   5.939   9.375   9.832
  388   1HD   ARG  49          2HD       ARG  49   4.740   8.194  11.450
  389   2HD   ARG  49          1HD       ARG  49   5.090   6.936  10.280
  390    HE   ARG  49           HE       ARG  49   6.957   6.194  11.665
  391   1HH1  ARG  49          2HH1      ARG  49   8.103   7.534  13.650
  392   2HH1  ARG  49          1HH1      ARG  49   7.076   7.503  15.011
  393   1HH2  ARG  49          1HH2      ARG  49   4.208   6.543  13.425
  394   2HH2  ARG  49          2HH2      ARG  49   4.994   6.977  14.900
  395    H    HIS  50           H        HIS  50   8.539   7.572   7.251
  396    HA   HIS  50           HA       HIS  50   9.492   6.369   5.550
  397   1HB   HIS  50          2HB       HIS  50  11.523   5.337   7.638
  398   2HB   HIS  50          1HB       HIS  50  11.446   4.832   5.988
  399    HD1  HIS  50           HD1      HIS  50  13.731   6.659   7.610
  400    HD2  HIS  50           HD2      HIS  50  11.269   7.656   4.433
  401    HE1  HIS  50           HE1      HIS  50  14.923   8.563   6.474
  402    HE2  HIS  50           HE2      HIS  50  13.452   9.205   4.499
  403    H    ASP  51           H        ASP  51   7.840   5.630   8.081
  404    HA   ASP  51           HA       ASP  51   7.811   2.690   7.827
  405   1HB   ASP  51          2HB       ASP  51   8.619   3.409  10.033
  406   2HB   ASP  51          1HB       ASP  51   7.300   4.556  10.170
  407    H    ILE  52           H        ILE  52   5.809   5.438   7.470
  408    HA   ILE  52           HA       ILE  52   3.368   3.773   7.473
  409    HB   ILE  52           HB       ILE  52   2.034   5.784   7.663
  410   1HG1  ILE  52          2HG1      ILE  52   3.789   7.652   8.800
  411   2HG1  ILE  52          1HG1      ILE  52   4.607   7.153   7.288
  412   1HG2  ILE  52          2HG2      ILE  52   3.865   4.708   9.660
  413   2HG2  ILE  52          1HG2      ILE  52   3.251   6.271  10.147
  414   3HG2  ILE  52          3HG2      ILE  52   2.119   4.975   9.725
  415   1HD1  ILE  52          1HD1      ILE  52   1.791   7.581   6.916
  416   2HD1  ILE  52          3HD1      ILE  52   2.599   9.064   7.481
  417   3HD1  ILE  52          2HD1      ILE  52   3.167   8.261   6.027
  418    H    ALA  53           H        ALA  53   2.864   3.239   5.471
  419    HA   ALA  53           HA       ALA  53   3.821   4.925   3.215
  420   1HB   ALA  53          3HB       ALA  53   3.723   2.082   3.813
  421   2HB   ALA  53          2HB       ALA  53   3.246   2.498   2.153
  422   3HB   ALA  53          1HB       ALA  53   4.837   3.002   2.801
  423    H    PHE  54           H        PHE  54   2.368   5.983   2.190
  424    HA   PHE  54           HA       PHE  54  -0.373   5.040   1.747
  425   1HB   PHE  54          2HB       PHE  54   0.549   7.423   2.855
  426   2HB   PHE  54          1HB       PHE  54   0.227   7.826   1.170
  427    HD1  PHE  54           HD1      PHE  54  -2.277   6.031   0.760
  428    HD2  PHE  54           HD2      PHE  54  -1.037   8.591   3.996
  429    HE1  PHE  54           HE1      PHE  54  -4.625   6.354   1.440
  430    HE2  PHE  54           HE2      PHE  54  -3.394   8.915   4.687
  431    HZ   PHE  54           HZ       PHE  54  -5.169   7.803   3.407
  432    H    VAL  55           H        VAL  55  -0.266   3.994  -0.070
  433    HA   VAL  55           HA       VAL  55   1.305   5.052  -2.396
  434    HB   VAL  55           HB       VAL  55   0.341   2.331  -1.549
  435   1HG1  VAL  55          3HG1      VAL  55   1.467   3.330  -4.141
  436   2HG1  VAL  55          2HG1      VAL  55   2.284   1.894  -3.504
  437   3HG1  VAL  55          1HG1      VAL  55   0.569   1.880  -3.817
  438   1HG2  VAL  55          2HG2      VAL  55   2.201   3.500  -0.232
  439   2HG2  VAL  55          1HG2      VAL  55   2.555   1.913  -0.864
  440   3HG2  VAL  55          3HG2      VAL  55   3.151   3.379  -1.704
  441    H    GLU  56           H        GLU  56   0.056   6.073  -3.641
  442    HA   GLU  56           HA       GLU  56  -2.670   5.410  -4.434
  443   1HB   GLU  56          2HB       GLU  56  -0.977   7.714  -4.281
  444   2HB   GLU  56          1HB       GLU  56  -1.533   7.555  -5.937
  445   1HG   GLU  56          2HG       GLU  56  -3.877   7.277  -5.039
  446   2HG   GLU  56          1HG       GLU  56  -3.217   7.886  -3.518
  447    H    PHE  57           H        PHE  57  -2.698   3.792  -5.839
  448    HA   PHE  57           HA       PHE  57  -0.801   3.601  -8.082
  449   1HB   PHE  57          2HB       PHE  57  -2.317   1.685  -6.326
  450   2HB   PHE  57          1HB       PHE  57  -2.305   1.291  -8.012
  451    HD1  PHE  57           HD1      PHE  57   0.062   1.852  -9.128
  452    HD2  PHE  57           HD2      PHE  57  -0.561   0.711  -5.041
  453    HE1  PHE  57           HE1      PHE  57   2.372   1.038  -8.991
  454    HE2  PHE  57           HE2      PHE  57   1.809  -0.123  -4.915
  455    HZ   PHE  57           HZ       PHE  57   3.277   0.056  -6.972
  456    H    ASP  58           H        ASP  58  -1.699   4.693  -9.701
  457    HA   ASP  58           HA       ASP  58  -3.774   5.696 -10.602
  458   1HB   ASP  58          2HB       ASP  58  -1.868   5.116 -12.008
  459   2HB   ASP  58          1HB       ASP  58  -2.477   3.509 -12.243
  460    H    ASN  59           H        ASN  59  -3.746   2.113 -10.868
  461    HA   ASN  59           HA       ASN  59  -6.601   2.175 -10.169
  462   1HB   ASN  59          2HB       ASN  59  -7.445   1.355 -12.194
  463   2HB   ASN  59          1HB       ASN  59  -5.985   2.129 -12.849
  464   1HD2  ASN  59          2HD2      ASN  59  -6.548  -1.626 -13.669
  465   2HD2  ASN  59          1HD2      ASN  59  -7.693  -0.415 -13.436
  466    H    GLU  60           H        GLU  60  -7.401   0.117  -9.637
  467    HA   GLU  60           HA       GLU  60  -5.723  -1.249  -7.833
  468   1HB   GLU  60          2HB       GLU  60  -7.624  -2.793  -7.479
  469   2HB   GLU  60          1HB       GLU  60  -7.987  -1.104  -7.386
  470   1HG   GLU  60          2HG       GLU  60  -9.720  -2.394  -8.618
  471   2HG   GLU  60          1HG       GLU  60  -9.020  -1.074  -9.590
  472    H    VAL  61           H        VAL  61  -5.976  -1.937 -11.250
  473    HA   VAL  61           HA       VAL  61  -5.201  -4.747 -11.163
  474    HB   VAL  61           HB       VAL  61  -4.841  -2.612 -13.294
  475   1HG1  VAL  61          3HG1      VAL  61  -3.709  -5.369 -13.136
  476   2HG1  VAL  61          2HG1      VAL  61  -4.126  -4.661 -14.694
  477   3HG1  VAL  61          1HG1      VAL  61  -2.960  -3.857 -13.636
  478   1HG2  VAL  61          1HG2      VAL  61  -7.094  -4.167 -12.784
  479   2HG2  VAL  61          3HG2      VAL  61  -6.605  -3.541 -14.345
  480   3HG2  VAL  61          2HG2      VAL  61  -6.199  -5.180 -13.946
  481    H    GLN  62           H        GLN  62  -3.582  -1.643 -11.492
  482    HA   GLN  62           HA       GLN  62  -0.934  -2.845 -11.094
  483   1HB   GLN  62          2HB       GLN  62  -1.211   0.122 -10.939
  484   2HB   GLN  62          1HB       GLN  62   0.089  -0.875 -11.515
  485   1HG   GLN  62          2HG       GLN  62  -0.597  -0.651 -13.668
  486   2HG   GLN  62          1HG       GLN  62  -2.086  -1.404 -13.220
  487   1HE2  GLN  62          2HE2      GLN  62  -2.652   2.092 -14.504
  488   2HE2  GLN  62          1HE2      GLN  62  -1.745   0.821 -15.158
  489    H    ALA  63           H        ALA  63  -3.291  -1.314  -8.959
  490    HA   ALA  63           HA       ALA  63  -1.476  -0.802  -6.797
  491   1HB   ALA  63          3HB       ALA  63  -3.974  -0.071  -7.256
  492   2HB   ALA  63          2HB       ALA  63  -4.304  -1.609  -6.410
  493   3HB   ALA  63          1HB       ALA  63  -3.376  -0.348  -5.591
  494    H    GLY  64           H        GLY  64  -3.589  -3.304  -7.961
  495   1HA   GLY  64          2HA       GLY  64  -3.256  -5.192  -5.873
  496   2HA   GLY  64          1HA       GLY  64  -4.023  -5.489  -7.444
  497    H    ALA  65           H        ALA  65  -1.665  -4.506  -9.000
  498    HA   ALA  65           HA       ALA  65  -0.204  -6.973  -9.098
  499   1HB   ALA  65          2HB       ALA  65  -0.430  -4.975 -10.983
  500   2HB   ALA  65          1HB       ALA  65   1.026  -4.450 -10.161
  501   3HB   ALA  65          3HB       ALA  65   0.949  -6.076 -10.917
  502    H    ALA  66           H        ALA  66   0.726  -3.682  -8.099
  503    HA   ALA  66           HA       ALA  66   3.288  -4.300  -6.934
  504   1HB   ALA  66          1HB       ALA  66   1.247  -2.130  -6.779
  505   2HB   ALA  66          3HB       ALA  66   2.304  -2.234  -5.407
  506   3HB   ALA  66          2HB       ALA  66   3.006  -1.964  -7.011
  507    H    ARG  67           H        ARG  67   0.097  -4.020  -5.433
  508    HA   ARG  67           HA       ARG  67   0.885  -4.631  -2.792
  509   1HB   ARG  67          2HB       ARG  67  -1.467  -3.763  -3.510
  510   2HB   ARG  67          1HB       ARG  67  -1.807  -5.434  -3.866
  511   1HG   ARG  67          2HG       ARG  67  -0.523  -4.677  -1.240
  512   2HG   ARG  67          1HG       ARG  67  -2.259  -4.375  -1.438
  513   1HD   ARG  67          2HD       ARG  67  -1.525  -7.107  -2.260
  514   2HD   ARG  67          1HD       ARG  67  -1.147  -6.795  -0.578
  515    HE   ARG  67           HE       ARG  67  -3.867  -6.222  -1.659
  516   1HH1  ARG  67          2HH1      ARG  67  -3.048  -5.627   1.166
  517   2HH1  ARG  67          1HH1      ARG  67  -3.642  -6.957   2.064
  518   1HH2  ARG  67          1HH2      ARG  67  -4.023  -8.809  -0.949
  519   2HH2  ARG  67          2HH2      ARG  67  -4.251  -8.943   0.783
  520    H    ASP  68           H        ASP  68  -0.551  -6.756  -5.295
  521    HA   ASP  68           HA       ASP  68  -0.298  -9.161  -3.824
  522   1HB   ASP  68          2HB       ASP  68  -1.831  -8.965  -5.672
  523   2HB   ASP  68          1HB       ASP  68  -0.516  -8.908  -6.839
  524    H    ALA  69           H        ALA  69   2.017  -7.390  -5.744
  525    HA   ALA  69           HA       ALA  69   3.962  -9.491  -6.195
  526   1HB   ALA  69          2HB       ALA  69   3.898  -6.514  -6.388
  527   2HB   ALA  69          1HB       ALA  69   5.474  -7.313  -6.334
  528   3HB   ALA  69          3HB       ALA  69   4.319  -7.692  -7.613
  529    H    LEU  70           H        LEU  70   3.536  -6.796  -3.887
  530    HA   LEU  70           HA       LEU  70   5.342  -8.189  -1.971
  531   1HB   LEU  70          2HB       LEU  70   6.136  -5.935  -1.169
  532   2HB   LEU  70          1HB       LEU  70   6.560  -6.311  -2.863
  533    HG   LEU  70           HG       LEU  70   3.962  -5.074  -2.584
  534   1HD1  LEU  70          3HD1      LEU  70   6.329  -3.589  -1.467
  535   2HD1  LEU  70          2HD1      LEU  70   4.947  -2.754  -2.110
  536   3HD1  LEU  70          1HD1      LEU  70   4.740  -3.844  -0.709
  537   1HD2  LEU  70          3HD2      LEU  70   5.532  -5.449  -4.571
  538   2HD2  LEU  70          2HD2      LEU  70   4.809  -3.845  -4.444
  539   3HD2  LEU  70          1HD2      LEU  70   6.510  -4.118  -3.994
  540    H    GLN  71           H        GLN  71   2.896  -8.969  -1.683
  541    HA   GLN  71           HA       GLN  71   1.125  -7.114  -0.391
  542   1HB   GLN  71          2HB       GLN  71   0.413  -9.212  -1.590
  543   2HB   GLN  71          1HB       GLN  71   1.189 -10.129  -0.276
  544   1HG   GLN  71          2HG       GLN  71  -0.732  -8.213   0.785
  545   2HG   GLN  71          1HG       GLN  71  -1.483  -9.336  -0.315
  546   1HE2  GLN  71          1HE2      GLN  71  -0.080 -12.096   1.862
  547   2HE2  GLN  71          2HE2      GLN  71   0.056 -11.713   0.226
  548    H    GLY  72           H        GLY  72   3.905  -8.660   0.809
  549   1HA   GLY  72          2HA       GLY  72   3.262  -7.801   3.490
  550   2HA   GLY  72          1HA       GLY  72   3.257  -9.570   3.319
  551    H    PHE  73           H        PHE  73   5.227  -7.000   1.941
  552    HA   PHE  73           HA       PHE  73   7.588  -8.282   1.538
  553   1HB   PHE  73          2HB       PHE  73   7.336  -6.114   0.708
  554   2HB   PHE  73          1HB       PHE  73   6.990  -5.469   2.310
  555    HD1  PHE  73           HD1      PHE  73   9.708  -7.926   1.496
  556    HD2  PHE  73           HD2      PHE  73   8.736  -3.817   2.450
  557    HE1  PHE  73           HE1      PHE  73  12.104  -7.374   1.830
  558    HE2  PHE  73           HE2      PHE  73  11.148  -3.315   2.777
  559    HZ   PHE  73           HZ       PHE  73  12.820  -5.100   2.460
  560    H    LYS  74           H        LYS  74   8.146  -9.730   3.125
  561    HA   LYS  74           HA       LYS  74   8.244  -9.250   5.938
  562   1HB   LYS  74          2HB       LYS  74  10.016 -11.222   5.829
  563   2HB   LYS  74          1HB       LYS  74   8.368 -11.598   5.345
  564   1HG   LYS  74          2HG       LYS  74   8.849 -11.688   3.148
  565   2HG   LYS  74          1HG       LYS  74  10.184 -10.543   3.273
  566   1HD   LYS  74          2HD       LYS  74  11.337 -12.609   2.972
  567   2HD   LYS  74          1HD       LYS  74  11.328 -12.451   4.732
  568   1HE   LYS  74          2HE       LYS  74   9.581 -13.910   5.030
  569   2HE   LYS  74          1HE       LYS  74   9.013 -13.818   3.354
  570   1HZ   LYS  74          2HZ       LYS  74  11.197 -14.902   2.723
  571   2HZ   LYS  74          1HZ       LYS  74  11.356 -15.279   4.395
  572   3HZ   LYS  74          3HZ       LYS  74  10.082 -15.891   3.488
  573    H    ILE  75           H        ILE  75   9.221  -7.145   5.886
  574    HA   ILE  75           HA       ILE  75  11.725  -6.319   4.894
  575    HB   ILE  75           HB       ILE  75  10.007  -5.694   7.289
  576   1HG1  ILE  75          2HG1      ILE  75  10.967  -3.440   5.616
  577   2HG1  ILE  75          1HG1      ILE  75  10.075  -4.702   4.731
  578   1HG2  ILE  75          2HG2      ILE  75  12.861  -4.850   6.795
  579   2HG2  ILE  75          1HG2      ILE  75  11.738  -3.850   7.772
  580   3HG2  ILE  75          3HG2      ILE  75  12.145  -5.506   8.278
  581   1HD1  ILE  75          3HD1      ILE  75   8.320  -4.646   6.510
  582   2HD1  ILE  75          2HD1      ILE  75   9.127  -3.251   7.194
  583   3HD1  ILE  75          1HD1      ILE  75   8.452  -3.161   5.557
  584    H    THR  76           H        THR  76  11.001  -8.326   7.605
  585    HA   THR  76           HA       THR  76  13.928  -8.771   7.913
  586    HB   THR  76           HB       THR  76  12.014  -8.899  10.286
  587    HG1  THR  76          1HG       THR  76  12.384  -6.796  10.679
  588   1HG2  THR  76          3HG2      THR  76  14.910  -9.045   9.859
  589   2HG2  THR  76          2HG2      THR  76  14.369  -8.295  11.368
  590   3HG2  THR  76          1HG2      THR  76  13.888  -9.930  11.035
  591    H    GLN  77           H        GLN  77  10.795 -10.082   8.562
  592    HA   GLN  77           HA       GLN  77  10.597 -12.417   7.466
  593   1HB   GLN  77          2HB       GLN  77  12.729 -13.350   8.094
  594   2HB   GLN  77          1HB       GLN  77  12.568 -12.704   9.742
  595   1HG   GLN  77          2HG       GLN  77  11.275 -14.394  10.446
  596   2HG   GLN  77          1HG       GLN  77  10.391 -14.447   8.894
  597   1HE2  GLN  77          2HE2      GLN  77  13.092 -16.555   7.400
  598   2HE2  GLN  77          1HE2      GLN  77  12.317 -15.089   7.050
  599    H    ASN  78           H        ASN  78  10.801 -11.128  10.666
  600    HA   ASN  78           HA       ASN  78   8.208 -12.265  11.453
  601   1HB   ASN  78          2HB       ASN  78   9.018 -12.189  13.589
  602   2HB   ASN  78          1HB       ASN  78  10.589 -11.931  12.802
  603   1HD2  ASN  78          1HD2      ASN  78  10.564  -8.444  13.738
  604   2HD2  ASN  78          2HD2      ASN  78  11.352  -9.596  12.776
  605    H    ASN  79           H        ASN  79   9.896  -9.448  10.466
  606    HA   ASN  79           HA       ASN  79   7.646  -7.596  10.976
  607   1HB   ASN  79          2HB       ASN  79  10.534  -7.114  10.259
  608   2HB   ASN  79          1HB       ASN  79   9.288  -5.840  10.288
  609   1HD2  ASN  79          1HD2      ASN  79   8.858  -6.296  13.948
  610   2HD2  ASN  79          2HD2      ASN  79   7.790  -6.237  12.606
  611    H    ALA  80           H        ALA  80   6.292  -7.627   9.303
  612    HA   ALA  80           HA       ALA  80   7.355  -7.627   6.556
  613   1HB   ALA  80          3HB       ALA  80   5.568  -9.512   7.766
  614   2HB   ALA  80          2HB       ALA  80   4.739  -8.705   6.409
  615   3HB   ALA  80          1HB       ALA  80   6.271  -9.521   6.133
  616    H    MET  81           H        MET  81   6.686  -5.837   5.501
  617    HA   MET  81           HA       MET  81   5.468  -3.622   6.531
  618   1HB   MET  81          2HB       MET  81   6.159  -2.921   4.548
  619   2HB   MET  81          1HB       MET  81   6.137  -4.607   3.948
  620   1HG   MET  81          2HG       MET  81   3.819  -4.410   3.318
  621   2HG   MET  81          1HG       MET  81   3.688  -2.850   4.099
  622   1HE   MET  81          3HE       MET  81   3.709  -0.942   3.273
  623   2HE   MET  81          2HE       MET  81   5.401  -0.496   2.900
  624   3HE   MET  81          1HE       MET  81   4.179  -0.388   1.681
  625    H    LYS  82           H        LYS  82   3.194  -2.758   6.511
  626    HA   LYS  82           HA       LYS  82   1.111  -4.657   5.631
  627   1HB   LYS  82          2HB       LYS  82   1.417  -3.419   8.308
  628   2HB   LYS  82          1HB       LYS  82  -0.180  -3.311   7.602
  629   1HG   LYS  82          2HG       LYS  82   1.089  -5.929   7.181
  630   2HG   LYS  82          1HG       LYS  82   1.029  -5.539   8.870
  631   1HD   LYS  82          2HD       LYS  82  -1.186  -5.548   9.059
  632   2HD   LYS  82          1HD       LYS  82  -1.448  -5.008   7.373
  633   1HE   LYS  82          2HE       LYS  82  -1.343  -7.174   6.541
  634   2HE   LYS  82          1HE       LYS  82  -0.206  -7.715   7.755
  635   1HZ   LYS  82          2HZ       LYS  82  -2.656  -6.959   8.973
  636   2HZ   LYS  82          1HZ       LYS  82  -2.938  -8.073   7.724
  637   3HZ   LYS  82          3HZ       LYS  82  -1.881  -8.439   9.026
  638    H    ILE  83           H        ILE  83   0.049  -3.870   4.106
  639    HA   ILE  83           HA       ILE  83  -0.311  -1.013   3.404
  640    HB   ILE  83           HB       ILE  83   1.079  -3.191   2.066
  641   1HG1  ILE  83          2HG1      ILE  83   0.703  -0.238   1.478
  642   2HG1  ILE  83          1HG1      ILE  83   1.983  -0.981   2.406
  643   1HG2  ILE  83          3HG2      ILE  83  -1.474  -2.333   0.820
  644   2HG2  ILE  83          2HG2      ILE  83  -0.094  -2.117  -0.200
  645   3HG2  ILE  83          1HG2      ILE  83  -0.400  -3.687   0.468
  646   1HD1  ILE  83          1HD1      ILE  83   1.843  -2.358  -0.112
  647   2HD1  ILE  83          3HD1      ILE  83   1.820  -0.611  -0.437
  648   3HD1  ILE  83          2HD1      ILE  83   3.149  -1.365   0.444
  649    H    SER  84           H        SER  84  -2.460  -0.711   3.712
  650    HA   SER  84           HA       SER  84  -4.353  -2.866   3.088
  651   1HB   SER  84          2HB       SER  84  -4.459  -2.736   5.380
  652   2HB   SER  84          1HB       SER  84  -4.499  -0.947   5.427
  653    HG   SER  84           HG       SER  84  -6.514  -1.062   5.093
  654    H    PHE  85           H        PHE  85  -5.336  -2.202   1.240
  655    HA   PHE  85           HA       PHE  85  -5.436   0.066  -0.130
  656   1HB   PHE  85          2HB       PHE  85  -7.570  -2.000   0.263
  657   2HB   PHE  85          1HB       PHE  85  -7.920  -0.575  -0.655
  658    HD1  PHE  85           HD2      PHE  85  -6.295   0.032  -2.585
  659    HD2  PHE  85           HD1      PHE  85  -6.230  -3.707  -0.551
  660    HE1  PHE  85           HE2      PHE  85  -5.025  -0.906  -4.474
  661    HE2  PHE  85           HE1      PHE  85  -4.922  -4.742  -2.478
  662    HZ   PHE  85           HZ       PHE  85  -4.340  -3.354  -4.387
  663    H    ALA  86           H        ALA  86  -6.951   1.901  -0.241
  664    HA   ALA  86           HA       ALA  86  -7.822   2.833   2.366
  665   1HB   ALA  86          3HB       ALA  86  -7.164   4.018  -0.315
  666   2HB   ALA  86          2HB       ALA  86  -8.123   4.957   0.802
  667   3HB   ALA  86          1HB       ALA  86  -6.514   4.462   1.286
  668    H    LYS  87           H        LYS  87  -9.250   3.792  -0.816
  669    HA   LYS  87           HA       LYS  87 -11.966   3.291   0.305
  670   1HB   LYS  87          2HB       LYS  87 -11.467   5.105  -2.014
  671   2HB   LYS  87          1HB       LYS  87 -12.604   5.314  -0.715
  672   1HG   LYS  87          2HG       LYS  87 -10.129   5.534   0.603
  673   2HG   LYS  87          1HG       LYS  87  -9.825   6.312  -0.928
  674   1HD   LYS  87          2HD       LYS  87 -11.492   7.892  -0.677
  675   2HD   LYS  87          1HD       LYS  87 -12.352   6.939   0.563
  676   1HE   LYS  87          2HE       LYS  87  -9.607   7.712   1.273
  677   2HE   LYS  87          1HE       LYS  87 -10.743   9.058   1.087
  678   1HZ   LYS  87          1HZ       LYS  87 -11.379   6.722   2.764
  679   2HZ   LYS  87          3HZ       LYS  87 -10.538   8.066   3.337
  680   3HZ   LYS  87          2HZ       LYS  87 -12.097   8.289   2.726
  681    H    LYS  88           H        LYS  88 -13.275   3.863  -2.158
  682    HA   LYS  88           HA       LYS  88 -12.645   1.435  -3.742
  683   1HB   LYS  88          2HB       LYS  88 -15.120   1.345  -4.177
  684   2HB   LYS  88          1HB       LYS  88 -14.650   0.998  -2.522
  685   1HG   LYS  88          2HG       LYS  88 -15.388   2.991  -1.673
  686   2HG   LYS  88          1HG       LYS  88 -15.330   3.806  -3.209
  687   1HD   LYS  88          2HD       LYS  88 -17.513   3.256  -3.661
  688   2HD   LYS  88          1HD       LYS  88 -17.171   1.546  -3.331
  689   1HE   LYS  88          2HE       LYS  88 -17.230   2.248  -0.864
  690   2HE   LYS  88          1HE       LYS  88 -18.213   3.626  -1.449
  691   1HZ   LYS  88          2HZ       LYS  88 -18.769   0.767  -2.022
  692   2HZ   LYS  88          1HZ       LYS  88 -19.560   1.772  -0.869
  693   3HZ   LYS  88          3HZ       LYS  88 -19.685   2.140  -2.500
   
  No H/Q in entry =         693
  Start of MODEL   10
    1   1H    MET   1          2H        MET   1 -19.059   5.975  -7.032
    2   2H    MET   1          1H        MET   1 -17.632   5.306  -6.433
    3   3H    MET   1          3H        MET   1 -19.117   4.514  -6.146
    4    HA   MET   1           HA       MET   1 -18.487   5.526  -4.148
    5   1HB   MET   1          2HB       MET   1 -18.106   7.923  -5.982
    6   2HB   MET   1          1HB       MET   1 -18.262   8.141  -4.255
    7   1HG   MET   1          2HG       MET   1 -16.382   6.424  -3.985
    8   2HG   MET   1          1HG       MET   1 -16.131   6.547  -5.710
    9   1HE   MET   1          2HE       MET   1 -14.614   7.574  -6.526
   10   2HE   MET   1          1HE       MET   1 -15.449   9.074  -6.962
   11   3HE   MET   1          3HE       MET   1 -13.832   9.106  -6.193
   12    H    ALA   2           H        ALA   2 -20.472   5.095  -3.367
   13    HA   ALA   2           HA       ALA   2 -22.840   6.416  -4.499
   14   1HB   ALA   2          3HB       ALA   2 -22.455   3.840  -3.657
   15   2HB   ALA   2          2HB       ALA   2 -22.939   4.569  -2.138
   16   3HB   ALA   2          1HB       ALA   2 -24.033   4.631  -3.494
   17    HA   PRO   3           HA       PRO   3 -22.740   9.214  -1.075
   18   1HB   PRO   3          2HB       PRO   3 -25.175  10.406  -1.334
   19   2HB   PRO   3          1HB       PRO   3 -23.892  10.635  -2.527
   20   1HG   PRO   3          2HG       PRO   3 -26.227   8.679  -2.655
   21   2HG   PRO   3          1HG       PRO   3 -25.595   9.765  -3.935
   22   1HD   PRO   3          2HD       PRO   3 -25.026   7.083  -3.720
   23   2HD   PRO   3          1HD       PRO   3 -23.876   8.236  -4.473
   24    H    ALA   4           H        ALA   4 -25.214   6.716  -1.411
   25    HA   ALA   4           HA       ALA   4 -25.372   6.507   1.470
   26   1HB   ALA   4          3HB       ALA   4 -27.129   8.302   0.761
   27   2HB   ALA   4          2HB       ALA   4 -27.987   6.990  -0.006
   28   3HB   ALA   4          1HB       ALA   4 -27.751   6.930   1.723
   29    H    GLN   5           H        GLN   5 -27.682   4.878   1.487
   30    HA   GLN   5           HA       GLN   5 -26.630   2.325   0.760
   31   1HB   GLN   5          2HB       GLN   5 -29.520   3.192   1.239
   32   2HB   GLN   5          1HB       GLN   5 -28.922   1.512   1.197
   33   1HG   GLN   5          2HG       GLN   5 -27.610   1.851   3.150
   34   2HG   GLN   5          1HG       GLN   5 -27.758   3.593   2.995
   35   1HE2  GLN   5          2HE2      GLN   5 -30.099   2.475   5.676
   36   2HE2  GLN   5          1HE2      GLN   5 -28.422   2.539   5.475
   37    HA   PRO   6           HA       PRO   6 -27.534   0.465   0.344
   38   1HB   PRO   6          2HB       PRO   6 -28.108  -1.584  -1.121
   39   2HB   PRO   6          1HB       PRO   6 -29.359  -0.325  -1.062
   40   1HG   PRO   6          2HG       PRO   6 -27.324  -0.794  -3.291
   41   2HG   PRO   6          1HG       PRO   6 -29.096  -0.541  -3.448
   42   1HD   PRO   6          2HD       PRO   6 -27.103   1.460  -3.510
   43   2HD   PRO   6          1HD       PRO   6 -28.824   1.744  -3.303
   44    H    LEU   7           H        LEU   7 -26.315  -1.790  -1.760
   45    HA   LEU   7           HA       LEU   7 -24.156  -2.477  -2.364
   46   1HB   LEU   7          2HB       LEU   7 -24.332   0.053  -3.290
   47   2HB   LEU   7          1HB       LEU   7 -22.965   0.227  -2.227
   48    HG   LEU   7           HG       LEU   7 -22.396  -2.194  -3.522
   49   1HD1  LEU   7          1HD1      LEU   7 -23.850  -0.339  -5.409
   50   2HD1  LEU   7          3HD1      LEU   7 -22.848  -1.701  -5.944
   51   3HD1  LEU   7          2HD1      LEU   7 -24.320  -1.973  -5.035
   52   1HD2  LEU   7          2HD2      LEU   7 -21.677   0.628  -4.185
   53   2HD2  LEU   7          1HD2      LEU   7 -20.691  -0.524  -3.267
   54   3HD2  LEU   7          3HD2      LEU   7 -20.955  -0.768  -4.998
   55    H    SER   8           H        SER   8 -21.959  -2.643  -1.535
   56    HA   SER   8           HA       SER   8 -21.910  -2.988   1.332
   57   1HB   SER   8          2HB       SER   8 -19.351  -3.176   0.806
   58   2HB   SER   8          1HB       SER   8 -20.456  -4.371   0.094
   59    HG   SER   8           HG       SER   8 -18.967  -2.504  -1.124
   60    H    GLU   9           H        GLU   9 -21.058  -1.842   2.992
   61    HA   GLU   9           HA       GLU   9 -20.649   1.042   2.515
   62   1HB   GLU   9          2HB       GLU   9 -20.579  -0.590   5.073
   63   2HB   GLU   9          1HB       GLU   9 -20.562   1.155   4.997
   64   1HG   GLU   9          2HG       GLU   9 -22.762   1.320   4.336
   65   2HG   GLU   9          1HG       GLU   9 -22.795  -0.302   3.615
   66    H    ASN  10           H        ASN  10 -18.715  -1.826   2.951
   67    HA   ASN  10           HA       ASN  10 -16.363  -0.154   3.568
   68   1HB   ASN  10          2HB       ASN  10 -16.323  -1.858   5.059
   69   2HB   ASN  10          1HB       ASN  10 -17.106  -2.971   3.938
   70   1HD2  ASN  10          1HD2      ASN  10 -13.035  -2.432   3.538
   71   2HD2  ASN  10          2HD2      ASN  10 -13.903  -1.075   4.039
   72    HA   PRO  11           HA       PRO  11 -15.635  -0.448  -0.985
   73   1HB   PRO  11          2HB       PRO  11 -13.116   0.846  -0.201
   74   2HB   PRO  11          1HB       PRO  11 -14.367   1.378  -1.299
   75   1HG   PRO  11          2HG       PRO  11 -13.886   2.576   1.220
   76   2HG   PRO  11          1HG       PRO  11 -15.429   2.665   0.324
   77   1HD   PRO  11          2HD       PRO  11 -14.655   0.950   2.645
   78   2HD   PRO  11          1HD       PRO  11 -16.253   1.460   2.118
   79    HA   PRO  12           HA       PRO  12 -12.756  -3.646  -1.421
   80   1HB   PRO  12          2HB       PRO  12 -11.433  -2.992  -3.750
   81   2HB   PRO  12          1HB       PRO  12 -13.066  -3.689  -3.731
   82   1HG   PRO  12          2HG       PRO  12 -12.310  -0.779  -4.069
   83   2HG   PRO  12          1HG       PRO  12 -13.584  -1.729  -4.774
   84   1HD   PRO  12          2HD       PRO  12 -13.927   0.087  -2.673
   85   2HD   PRO  12          1HD       PRO  12 -15.022  -1.278  -2.901
   86    H    ASN  13           H        ASN  13 -10.250  -3.920  -1.476
   87    HA   ASN  13           HA       ASN  13  -9.145  -2.010   0.290
   88   1HB   ASN  13          2HB       ASN  13  -7.712  -4.144  -1.363
   89   2HB   ASN  13          1HB       ASN  13  -7.054  -3.349   0.078
   90   1HD2  ASN  13          1HD2      ASN  13  -9.967  -4.901   1.993
   91   2HD2  ASN  13          2HD2      ASN  13  -9.572  -3.322   1.615
   92    H    HIS  14           H        HIS  14  -7.294  -2.669  -2.668
   93    HA   HIS  14           HA       HIS  14  -5.916  -1.270  -3.881
   94   1HB   HIS  14          2HB       HIS  14  -7.062   0.869  -4.684
   95   2HB   HIS  14          1HB       HIS  14  -7.787  -0.668  -5.208
   96    HD1  HIS  14           HD1      HIS  14  -8.186   2.359  -3.154
   97    HD2  HIS  14           HD2      HIS  14 -10.432  -1.038  -3.910
   98    HE1  HIS  14           HE1      HIS  14 -10.504   2.839  -2.249
   99    HE2  HIS  14           HE2      HIS  14 -11.932   0.744  -2.701
  100    H    ILE  15           H        ILE  15  -6.075  -0.887  -0.899
  101    HA   ILE  15           HA       ILE  15  -4.529   1.596  -0.646
  102    HB   ILE  15           HB       ILE  15  -7.192   1.226   0.651
  103   1HG1  ILE  15          2HG1      ILE  15  -5.341   3.320  -0.387
  104   2HG1  ILE  15          1HG1      ILE  15  -6.980   3.003  -0.912
  105   1HG2  ILE  15          3HG2      ILE  15  -4.641   1.983   2.025
  106   2HG2  ILE  15          2HG2      ILE  15  -6.182   2.638   2.617
  107   3HG2  ILE  15          1HG2      ILE  15  -5.887   0.909   2.605
  108   1HD1  ILE  15          2HD1      ILE  15  -7.451   3.728   1.654
  109   2HD1  ILE  15          1HD1      ILE  15  -5.971   4.686   1.348
  110   3HD1  ILE  15          3HD1      ILE  15  -7.387   4.936   0.350
  111    H    LEU  16           H        LEU  16  -2.712   0.857   0.362
  112    HA   LEU  16           HA       LEU  16  -2.877  -1.449   2.269
  113   1HB   LEU  16          2HB       LEU  16  -0.894  -0.718   0.055
  114   2HB   LEU  16          1HB       LEU  16  -0.612  -1.999   1.190
  115    HG   LEU  16           HG       LEU  16  -2.965  -2.816   0.376
  116   1HD1  LEU  16          3HD1      LEU  16  -2.464  -0.505  -1.378
  117   2HD1  LEU  16          2HD1      LEU  16  -2.740  -2.017  -2.287
  118   3HD1  LEU  16          1HD1      LEU  16  -3.928  -1.451  -1.114
  119   1HD2  LEU  16          1HD2      LEU  16  -0.298  -2.893  -1.059
  120   2HD2  LEU  16          3HD2      LEU  16  -1.183  -4.174  -0.255
  121   3HD2  LEU  16          2HD2      LEU  16  -1.726  -3.598  -1.864
  122    H    PHE  17           H        PHE  17  -2.573  -0.672   4.149
  123    HA   PHE  17           HA       PHE  17  -0.557   1.380   4.649
  124   1HB   PHE  17          2HB       PHE  17  -2.519   2.568   5.171
  125   2HB   PHE  17          1HB       PHE  17  -3.306   1.117   5.775
  126    HD1  PHE  17           HD1      PHE  17  -0.182   3.071   6.367
  127    HD2  PHE  17           HD2      PHE  17  -3.355   0.834   8.190
  128    HE1  PHE  17           HE1      PHE  17   0.787   3.544   8.631
  129    HE2  PHE  17           HE2      PHE  17  -2.442   1.280  10.386
  130    HZ   PHE  17           HZ       PHE  17  -0.353   2.639  10.640
  131    H    LEU  18           H        LEU  18   0.867   0.875   6.032
  132    HA   LEU  18           HA       LEU  18   0.820  -0.470   8.301
  133   1HB   LEU  18          2HB       LEU  18   0.828  -2.731   6.385
  134   2HB   LEU  18          1HB       LEU  18   1.824  -2.823   7.770
  135    HG   LEU  18           HG       LEU  18  -0.992  -2.064   8.193
  136   1HD1  LEU  18          1HD1      LEU  18  -0.352  -4.452   7.327
  137   2HD1  LEU  18          3HD1      LEU  18   0.608  -4.611   8.773
  138   3HD1  LEU  18          2HD1      LEU  18  -1.159  -4.381   8.916
  139   1HD2  LEU  18          3HD2      LEU  18   1.485  -2.063   9.650
  140   2HD2  LEU  18          2HD2      LEU  18  -0.043  -1.339  10.084
  141   3HD2  LEU  18          1HD2      LEU  18   0.243  -3.053  10.438
  142    H    THR  19           H        THR  19   3.227  -1.767   8.220
  143    HA   THR  19           HA       THR  19   5.071   0.412   7.491
  144    HB   THR  19           HB       THR  19   5.716   0.774   9.821
  145    HG1  THR  19          1HG       THR  19   4.088  -1.471  10.273
  146   1HG2  THR  19          2HG2      THR  19   3.137   1.601   9.133
  147   2HG2  THR  19          1HG2      THR  19   2.787   0.443  10.391
  148   3HG2  THR  19          3HG2      THR  19   3.844   1.798  10.765
  149    H    ASN  20           H        ASN  20   7.124  -0.300   8.532
  150    HA   ASN  20           HA       ASN  20   8.508  -1.888   9.432
  151   1HB   ASN  20          2HB       ASN  20   6.956  -4.015   7.883
  152   2HB   ASN  20          1HB       ASN  20   8.565  -4.206   8.489
  153   1HD2  ASN  20          2HD2      ASN  20   7.631  -5.048  11.693
  154   2HD2  ASN  20          1HD2      ASN  20   8.685  -5.197  10.377
  155    H    LEU  21           H        LEU  21   8.954   0.074   8.107
  156    HA   LEU  21           HA       LEU  21  10.442  -0.828   5.673
  157   1HB   LEU  21          2HB       LEU  21  10.095   1.991   5.758
  158   2HB   LEU  21          1HB       LEU  21   9.535   0.874   4.498
  159    HG   LEU  21           HG       LEU  21   7.905   1.292   7.024
  160   1HD1  LEU  21          1HD1      LEU  21   7.642   2.678   4.353
  161   2HD1  LEU  21          3HD1      LEU  21   6.392   2.622   5.563
  162   3HD1  LEU  21          2HD1      LEU  21   7.930   3.432   5.904
  163   1HD2  LEU  21          2HD2      LEU  21   7.583  -0.822   5.588
  164   2HD2  LEU  21          1HD2      LEU  21   6.188   0.259   5.790
  165   3HD2  LEU  21          3HD2      LEU  21   7.126   0.282   4.300
  166    HA   PRO  22           HA       PRO  22  13.909   0.155   8.398
  167   1HB   PRO  22          2HB       PRO  22  15.779   0.345   6.382
  168   2HB   PRO  22          1HB       PRO  22  15.271  -1.164   7.219
  169   1HG   PRO  22          2HG       PRO  22  14.374  -0.003   4.513
  170   2HG   PRO  22          1HG       PRO  22  14.766  -1.701   4.954
  171   1HD   PRO  22          2HD       PRO  22  12.181  -1.065   4.920
  172   2HD   PRO  22          1HD       PRO  22  12.841  -1.998   6.253
  173    H    GLU  23           H        GLU  23  15.959   1.843   7.908
  174    HA   GLU  23           HA       GLU  23  14.738   4.487   7.554
  175   1HB   GLU  23          2HB       GLU  23  16.382   3.812   9.401
  176   2HB   GLU  23          1HB       GLU  23  17.606   3.804   8.101
  177   1HG   GLU  23          2HG       GLU  23  16.157   6.265   7.896
  178   2HG   GLU  23          1HG       GLU  23  16.517   5.970   9.613
  179    H    GLU  24           H        GLU  24  15.954   2.229   5.536
  180    HA   GLU  24           HA       GLU  24  17.237   4.194   3.757
  181   1HB   GLU  24          2HB       GLU  24  18.190   1.791   4.343
  182   2HB   GLU  24          1HB       GLU  24  17.038   1.216   3.128
  183   1HG   GLU  24          2HG       GLU  24  18.030   2.477   1.434
  184   2HG   GLU  24          1HG       GLU  24  19.012   3.460   2.549
  185    H    THR  25           H        THR  25  14.311   3.827   4.307
  186    HA   THR  25           HA       THR  25  13.253   3.148   1.605
  187    HB   THR  25           HB       THR  25  11.044   3.336   2.917
  188    HG1  THR  25          1HG       THR  25  12.245   2.652   5.224
  189   1HG2  THR  25          3HG2      THR  25  12.462   1.137   2.291
  190   2HG2  THR  25          2HG2      THR  25  12.772   1.130   4.038
  191   3HG2  THR  25          1HG2      THR  25  11.123   1.074   3.471
  192    H    ASN  26           H        ASN  26  11.700   4.613   0.610
  193    HA   ASN  26           HA       ASN  26  11.241   7.138   2.003
  194   1HB   ASN  26          2HB       ASN  26  12.390   8.652   0.552
  195   2HB   ASN  26          1HB       ASN  26  13.580   7.414   0.987
  196   1HD2  ASN  26          2HD2      ASN  26  14.128   6.468  -2.331
  197   2HD2  ASN  26          1HD2      ASN  26  14.566   6.271  -0.722
  198    H    GLU  27           H        GLU  27  10.064   8.723   0.429
  199    HA   GLU  27           HA       GLU  27   7.681   7.355  -0.532
  200   1HB   GLU  27          2HB       GLU  27   7.254   9.565   0.324
  201   2HB   GLU  27          1HB       GLU  27   8.423  10.264  -0.844
  202   1HG   GLU  27          2HG       GLU  27   7.017   9.637  -2.678
  203   2HG   GLU  27          1HG       GLU  27   5.944   8.751  -1.623
  204    H    LEU  28           H        LEU  28  10.603   8.712  -2.267
  205    HA   LEU  28           HA       LEU  28   9.377   8.531  -4.883
  206   1HB   LEU  28          2HB       LEU  28  11.080   9.922  -5.074
  207   2HB   LEU  28          1HB       LEU  28  12.047   9.180  -3.812
  208    HG   LEU  28           HG       LEU  28  11.622   7.703  -6.378
  209   1HD1  LEU  28          2HD1      LEU  28  12.339  10.125  -6.773
  210   2HD1  LEU  28          1HD1      LEU  28  13.904   9.581  -6.151
  211   3HD1  LEU  28          3HD1      LEU  28  13.228   8.795  -7.571
  212   1HD2  LEU  28          1HD2      LEU  28  13.770   7.835  -4.243
  213   2HD2  LEU  28          3HD2      LEU  28  12.882   6.427  -4.740
  214   3HD2  LEU  28          2HD2      LEU  28  14.066   7.101  -5.834
  215    H    MET  29           H        MET  29  11.031   6.508  -2.603
  216    HA   MET  29           HA       MET  29  11.889   4.364  -4.252
  217   1HB   MET  29          2HB       MET  29  12.439   5.009  -1.825
  218   2HB   MET  29          1HB       MET  29  10.992   4.188  -1.332
  219   1HG   MET  29          2HG       MET  29  12.495   2.484  -3.150
  220   2HG   MET  29          1HG       MET  29  13.577   3.115  -1.880
  221   1HE   MET  29          3HE       MET  29  13.472   0.601  -2.263
  222   2HE   MET  29          2HE       MET  29  13.504   0.106  -0.591
  223   3HE   MET  29          1HE       MET  29  12.241  -0.529  -1.664
  224    H    LEU  30           H        LEU  30   9.236   4.687  -1.919
  225    HA   LEU  30           HA       LEU  30   7.845   2.338  -2.812
  226   1HB   LEU  30          2HB       LEU  30   7.406   4.544  -0.848
  227   2HB   LEU  30          1HB       LEU  30   5.947   3.664  -1.401
  228    HG   LEU  30           HG       LEU  30   8.410   2.607   0.009
  229   1HD1  LEU  30          2HD1      LEU  30   5.957   3.640   0.899
  230   2HD1  LEU  30          1HD1      LEU  30   5.737   1.924   1.038
  231   3HD1  LEU  30          3HD1      LEU  30   7.127   2.698   1.844
  232   1HD2  LEU  30          3HD2      LEU  30   6.753   1.119  -1.834
  233   2HD2  LEU  30          2HD2      LEU  30   8.068   0.538  -0.771
  234   3HD2  LEU  30          1HD2      LEU  30   6.395   0.620  -0.203
  235    H    SER  31           H        SER  31   7.928   5.683  -3.707
  236    HA   SER  31           HA       SER  31   5.466   5.924  -5.047
  237   1HB   SER  31          2HB       SER  31   6.576   7.988  -4.860
  238   2HB   SER  31          1HB       SER  31   8.111   7.257  -5.389
  239    HG   SER  31           HG       SER  31   7.263   8.460  -7.042
  240    H    MET  32           H        MET  32   8.708   5.093  -6.183
  241    HA   MET  32           HA       MET  32   8.085   4.504  -8.952
  242   1HB   MET  32          2HB       MET  32  10.374   4.182  -7.059
  243   2HB   MET  32          1HB       MET  32  10.347   3.196  -8.486
  244   1HG   MET  32          2HG       MET  32   9.915   5.373  -9.810
  245   2HG   MET  32          1HG       MET  32  10.327   6.241  -8.333
  246   1HE   MET  32          1HE       MET  32  11.991   7.446  -9.247
  247   2HE   MET  32          3HE       MET  32  12.848   6.828  -7.805
  248   3HE   MET  32          2HE       MET  32  13.690   6.990  -9.331
  249    H    LEU  33           H        LEU  33   8.378   2.531  -5.991
  250    HA   LEU  33           HA       LEU  33   8.387  -0.058  -7.258
  251   1HB   LEU  33          2HB       LEU  33   8.127   1.087  -4.487
  252   2HB   LEU  33          1HB       LEU  33   7.397  -0.471  -4.751
  253    HG   LEU  33           HG       LEU  33  10.246   0.172  -5.581
  254   1HD1  LEU  33          1HD1      LEU  33   9.217  -0.819  -2.904
  255   2HD1  LEU  33          3HD1      LEU  33  10.757  -1.379  -3.489
  256   3HD1  LEU  33          2HD1      LEU  33  10.473   0.368  -3.205
  257   1HD2  LEU  33          1HD2      LEU  33   8.568  -2.309  -5.351
  258   2HD2  LEU  33          3HD2      LEU  33   9.529  -1.781  -6.718
  259   3HD2  LEU  33          2HD2      LEU  33  10.333  -2.428  -5.302
  260    H    PHE  34           H        PHE  34   6.160   2.152  -5.800
  261    HA   PHE  34           HA       PHE  34   3.917   0.364  -6.401
  262   1HB   PHE  34          2HB       PHE  34   3.847   3.185  -5.287
  263   2HB   PHE  34          1HB       PHE  34   2.408   2.155  -5.498
  264    HD1  PHE  34           HD1      PHE  34   3.399  -0.577  -4.827
  265    HD2  PHE  34           HD2      PHE  34   4.159   3.181  -2.918
  266    HE1  PHE  34           HE1      PHE  34   3.811  -1.746  -2.828
  267    HE2  PHE  34           HE2      PHE  34   4.606   1.960  -0.802
  268    HZ   PHE  34           HZ       PHE  34   4.454  -0.492  -0.682
  269    H    ASN  35           H        ASN  35   5.578   2.933  -7.855
  270    HA   ASN  35           HA       ASN  35   3.806   3.777  -9.906
  271   1HB   ASN  35          2HB       ASN  35   6.026   4.933  -9.488
  272   2HB   ASN  35          1HB       ASN  35   6.834   3.526 -10.194
  273   1HD2  ASN  35          1HD2      ASN  35   6.441   5.294 -13.221
  274   2HD2  ASN  35          2HD2      ASN  35   7.559   4.749 -12.038
  275    H    GLN  36           H        GLN  36   6.019   1.119  -9.587
  276    HA   GLN  36           HA       GLN  36   6.211  -0.221 -11.988
  277   1HB   GLN  36          2HB       GLN  36   5.250  -1.222  -9.309
  278   2HB   GLN  36          1HB       GLN  36   5.533  -2.363 -10.578
  279   1HG   GLN  36          2HG       GLN  36   7.650  -0.517  -9.344
  280   2HG   GLN  36          1HG       GLN  36   7.595  -2.272  -9.252
  281   1HE2  GLN  36          2HE2      GLN  36   8.983  -0.652 -12.715
  282   2HE2  GLN  36          1HE2      GLN  36   8.338   0.360 -11.530
  283    H    PHE  37           H        PHE  37   3.455   0.210  -9.935
  284    HA   PHE  37           HA       PHE  37   1.509  -1.143 -11.633
  285   1HB   PHE  37          2HB       PHE  37   1.223   0.042  -8.850
  286   2HB   PHE  37          1HB       PHE  37   0.023  -0.893  -9.658
  287    HD1  PHE  37           HD2      PHE  37   0.472  -3.265 -10.335
  288    HD2  PHE  37           HD1      PHE  37   3.338  -0.963  -8.084
  289    HE1  PHE  37           HE2      PHE  37   1.776  -5.350  -9.760
  290    HE2  PHE  37           HE1      PHE  37   4.561  -3.050  -7.556
  291    HZ   PHE  37           HZ       PHE  37   3.792  -5.231  -8.398
  292    HA   PRO  38           HA       PRO  38   0.637   2.705 -13.726
  293   1HB   PRO  38          2HB       PRO  38  -1.877   1.827 -14.592
  294   2HB   PRO  38          1HB       PRO  38  -0.322   1.652 -15.485
  295   1HG   PRO  38          2HG       PRO  38  -1.825  -0.419 -13.968
  296   2HG   PRO  38          1HG       PRO  38  -0.736  -0.625 -15.363
  297   1HD   PRO  38          2HD       PRO  38   0.074  -1.192 -12.880
  298   2HD   PRO  38          1HD       PRO  38   1.195  -0.560 -14.076
  299    H    GLY  39           H        GLY  39  -1.334   1.021 -11.470
  300   1HA   GLY  39          2HA       GLY  39  -3.443   2.963 -11.000
  301   2HA   GLY  39          1HA       GLY  39  -3.019   1.576  -9.964
  302    H    PHE  40           H        PHE  40  -0.253   2.844 -10.074
  303    HA   PHE  40           HA       PHE  40   0.320   3.697  -7.608
  304   1HB   PHE  40          2HB       PHE  40   1.999   3.754  -9.199
  305   2HB   PHE  40          1HB       PHE  40   1.065   4.790 -10.309
  306    HD1  PHE  40           HD2      PHE  40   2.160   4.873  -6.782
  307    HD2  PHE  40           HD1      PHE  40   1.930   6.926 -10.511
  308    HE1  PHE  40           HE2      PHE  40   3.280   6.872  -5.762
  309    HE2  PHE  40           HE1      PHE  40   3.040   8.942  -9.528
  310    HZ   PHE  40           HZ       PHE  40   3.705   8.909  -7.163
  311    H    LYS  41           H        LYS  41  -1.143   4.892  -6.418
  312    HA   LYS  41           HA       LYS  41  -2.041   7.555  -7.582
  313   1HB   LYS  41          2HB       LYS  41  -3.976   6.555  -7.595
  314   2HB   LYS  41          1HB       LYS  41  -3.541   5.313  -6.471
  315   1HG   LYS  41          2HG       LYS  41  -5.251   6.608  -5.448
  316   2HG   LYS  41          1HG       LYS  41  -3.813   7.006  -4.560
  317   1HD   LYS  41          2HD       LYS  41  -5.275   8.906  -5.175
  318   2HD   LYS  41          1HD       LYS  41  -3.655   9.156  -5.841
  319   1HE   LYS  41          2HE       LYS  41  -4.488   8.567  -8.063
  320   2HE   LYS  41          1HE       LYS  41  -5.876   7.786  -7.344
  321   1HZ   LYS  41          1HZ       LYS  41  -6.527  10.032  -6.546
  322   2HZ   LYS  41          3HZ       LYS  41  -5.315  10.709  -7.497
  323   3HZ   LYS  41          2HZ       LYS  41  -6.607   9.842  -8.233
  324    H    GLU  42           H        GLU  42  -1.735   6.012  -4.339
  325    HA   GLU  42           HA       GLU  42  -0.844   8.642  -3.287
  326   1HB   GLU  42          2HB       GLU  42  -3.289   7.641  -2.688
  327   2HB   GLU  42          1HB       GLU  42  -2.293   6.781  -1.521
  328   1HG   GLU  42          2HG       GLU  42  -2.141   8.607  -0.178
  329   2HG   GLU  42          1HG       GLU  42  -1.496   9.541  -1.506
  330    H    VAL  43           H        VAL  43   0.898   8.495  -2.127
  331    HA   VAL  43           HA       VAL  43   1.952   5.980  -1.058
  332    HB   VAL  43           HB       VAL  43   4.228   6.553  -1.968
  333   1HG1  VAL  43          2HG1      VAL  43   1.873   5.718  -3.711
  334   2HG1  VAL  43          1HG1      VAL  43   3.527   5.583  -4.274
  335   3HG1  VAL  43          3HG1      VAL  43   3.018   4.715  -2.827
  336   1HG2  VAL  43          2HG2      VAL  43   2.566   8.238  -3.888
  337   2HG2  VAL  43          1HG2      VAL  43   3.740   8.844  -2.688
  338   3HG2  VAL  43          3HG2      VAL  43   4.291   7.865  -4.040
  339    H    ARG  44           H        ARG  44   2.285   6.376   0.925
  340    HA   ARG  44           HA       ARG  44   3.153   9.013   1.892
  341   1HB   ARG  44          2HB       ARG  44   0.728   7.761   2.463
  342   2HB   ARG  44          1HB       ARG  44   1.691   7.435   3.919
  343   1HG   ARG  44          2HG       ARG  44   0.467   9.552   4.153
  344   2HG   ARG  44          1HG       ARG  44   2.209   9.768   4.175
  345   1HD   ARG  44          2HD       ARG  44   0.705  11.328   2.658
  346   2HD   ARG  44          1HD       ARG  44   2.327  10.791   2.143
  347    HE   ARG  44           HE       ARG  44   0.841   8.915   0.969
  348   1HH1  ARG  44          1HH1      ARG  44  -1.276  11.314   1.760
  349   2HH1  ARG  44          2HH1      ARG  44  -1.452  11.945   0.157
  350   1HH2  ARG  44          2HH2      ARG  44   1.114  10.300  -1.285
  351   2HH2  ARG  44          1HH2      ARG  44  -0.190  11.417  -1.449
  352    H    LEU  45           H        LEU  45   5.211   8.437   1.893
  353    HA   LEU  45           HA       LEU  45   6.104   6.785   4.083
  354   1HB   LEU  45          2HB       LEU  45   6.446   5.237   2.106
  355   2HB   LEU  45          1HB       LEU  45   7.201   6.615   1.261
  356    HG   LEU  45           HG       LEU  45   9.077   6.547   2.670
  357   1HD1  LEU  45          2HD1      LEU  45   7.212   5.037   4.530
  358   2HD1  LEU  45          1HD1      LEU  45   8.961   4.805   4.639
  359   3HD1  LEU  45          3HD1      LEU  45   8.283   6.418   4.849
  360   1HD2  LEU  45          3HD2      LEU  45   8.276   4.294   1.253
  361   2HD2  LEU  45          2HD2      LEU  45   9.875   4.533   1.921
  362   3HD2  LEU  45          1HD2      LEU  45   8.649   3.619   2.845
  363    H    VAL  46           H        VAL  46   6.818   8.926   5.084
  364    HA   VAL  46           HA       VAL  46   8.523  10.498   3.321
  365    HB   VAL  46           HB       VAL  46   6.503  11.474   4.153
  366   1HG1  VAL  46          3HG1      VAL  46   7.101  10.473   6.636
  367   2HG1  VAL  46          2HG1      VAL  46   7.662  12.139   6.808
  368   3HG1  VAL  46          1HG1      VAL  46   5.966  11.803   6.402
  369   1HG2  VAL  46          2HG2      VAL  46   9.117  12.554   4.144
  370   2HG2  VAL  46          1HG2      VAL  46   7.632  13.335   3.642
  371   3HG2  VAL  46          3HG2      VAL  46   8.152  13.434   5.330
  372    HA   PRO  47           HA       PRO  47  12.266   9.053   5.280
  373   1HB   PRO  47          2HB       PRO  47  12.701  11.974   4.674
  374   2HB   PRO  47          1HB       PRO  47  13.898  10.663   4.537
  375   1HG   PRO  47          2HG       PRO  47  12.507  11.278   2.279
  376   2HG   PRO  47          1HG       PRO  47  12.642   9.553   2.772
  377   1HD   PRO  47          2HD       PRO  47  10.375  11.524   3.068
  378   2HD   PRO  47          1HD       PRO  47  10.319   9.810   2.643
  379    H    GLY  48           H        GLY  48  10.432  11.822   6.582
  380   1HA   GLY  48          2HA       GLY  48  12.097  12.162   8.932
  381   2HA   GLY  48          1HA       GLY  48  10.369  12.500   8.903
  382    H    ARG  49           H        ARG  49   9.275  10.249   8.093
  383    HA   ARG  49           HA       ARG  49   9.347   8.399  10.387
  384   1HB   ARG  49          2HB       ARG  49   7.775   8.702   7.839
  385   2HB   ARG  49          1HB       ARG  49   7.546   7.284   8.906
  386   1HG   ARG  49          2HG       ARG  49   6.810   8.793  10.704
  387   2HG   ARG  49          1HG       ARG  49   7.312  10.187   9.747
  388   1HD   ARG  49          2HD       ARG  49   5.569   8.594   8.135
  389   2HD   ARG  49          1HD       ARG  49   4.884   8.663   9.759
  390    HE   ARG  49           HE       ARG  49   5.752  11.073   8.216
  391   1HH1  ARG  49          2HH2      ARG  49   4.584  10.680  11.100
  392   2HH1  ARG  49          1HH2      ARG  49   3.060  11.524  10.906
  393   1HH2  ARG  49          2HH1      ARG  49   3.439  11.593   7.429
  394   2HH2  ARG  49          1HH1      ARG  49   2.376  12.061   8.692
  395    H    HIS  50           H        HIS  50   9.153   7.682   6.988
  396    HA   HIS  50           HA       HIS  50  10.097   6.160   5.560
  397   1HB   HIS  50          2HB       HIS  50  12.371   5.394   5.796
  398   2HB   HIS  50          1HB       HIS  50  12.341   7.130   5.801
  399    HD1  HIS  50           HD1      HIS  50  12.171   4.316   8.429
  400    HD2  HIS  50           HD2      HIS  50  14.063   7.983   7.961
  401    HE1  HIS  50           HE1      HIS  50  13.591   4.595  10.427
  402    HE2  HIS  50           HE2      HIS  50  14.791   6.822  10.229
  403    H    ASP  51           H        ASP  51   8.677   5.792   8.209
  404    HA   ASP  51           HA       ASP  51   9.153   2.881   8.347
  405   1HB   ASP  51          2HB       ASP  51   8.984   2.877  10.835
  406   2HB   ASP  51          1HB       ASP  51  10.254   3.974  10.360
  407    H    ILE  52           H        ILE  52   6.801   4.733   7.431
  408    HA   ILE  52           HA       ILE  52   4.800   2.800   8.231
  409    HB   ILE  52           HB       ILE  52   3.062   4.531   8.589
  410   1HG1  ILE  52          2HG1      ILE  52   4.945   6.617   9.579
  411   2HG1  ILE  52          1HG1      ILE  52   5.038   6.447   7.856
  412   1HG2  ILE  52          2HG2      ILE  52   4.826   3.505  10.476
  413   2HG2  ILE  52          1HG2      ILE  52   4.650   5.170  10.926
  414   3HG2  ILE  52          3HG2      ILE  52   3.225   4.113  10.733
  415   1HD1  ILE  52          2HD1      ILE  52   2.404   6.576   9.388
  416   2HD1  ILE  52          1HD1      ILE  52   3.233   8.027   8.839
  417   3HD1  ILE  52          3HD1      ILE  52   2.620   6.815   7.680
  418    H    ALA  53           H        ALA  53   3.911   2.229   6.360
  419    HA   ALA  53           HA       ALA  53   4.124   4.055   3.993
  420   1HB   ALA  53          2HB       ALA  53   4.428   1.120   4.438
  421   2HB   ALA  53          1HB       ALA  53   3.990   1.753   2.821
  422   3HB   ALA  53          3HB       ALA  53   5.485   2.236   3.613
  423    H    PHE  54           H        PHE  54   2.301   4.892   3.469
  424    HA   PHE  54           HA       PHE  54  -0.192   3.397   3.490
  425   1HB   PHE  54          2HB       PHE  54   0.185   5.731   4.815
  426   2HB   PHE  54          1HB       PHE  54  -0.301   6.360   3.225
  427    HD1  PHE  54           HD2      PHE  54  -2.500   5.842   2.261
  428    HD2  PHE  54           HD1      PHE  54  -1.437   4.772   6.242
  429    HE1  PHE  54           HE2      PHE  54  -4.901   5.558   2.778
  430    HE2  PHE  54           HE1      PHE  54  -3.822   4.469   6.797
  431    HZ   PHE  54           HZ       PHE  54  -5.600   4.851   5.081
  432    H    VAL  55           H        VAL  55  -0.311   2.550   1.595
  433    HA   VAL  55           HA       VAL  55   0.239   4.212  -0.812
  434    HB   VAL  55           HB       VAL  55   0.647   1.289  -0.173
  435   1HG1  VAL  55          1HG1      VAL  55   0.241   1.880  -2.697
  436   2HG1  VAL  55          3HG1      VAL  55   1.728   2.802  -2.575
  437   3HG1  VAL  55          2HG1      VAL  55   1.791   1.071  -2.303
  438   1HG2  VAL  55          3HG2      VAL  55   2.167   3.244   0.779
  439   2HG2  VAL  55          2HG2      VAL  55   2.850   1.706   0.209
  440   3HG2  VAL  55          1HG2      VAL  55   2.863   3.136  -0.828
  441    H    GLU  56           H        GLU  56  -1.615   4.704  -1.573
  442    HA   GLU  56           HA       GLU  56  -3.987   2.979  -1.855
  443   1HB   GLU  56          2HB       GLU  56  -3.772   5.493  -0.992
  444   2HB   GLU  56          1HB       GLU  56  -3.749   5.805  -2.740
  445   1HG   GLU  56          2HG       GLU  56  -5.868   4.035  -2.412
  446   2HG   GLU  56          1HG       GLU  56  -5.991   5.222  -1.083
  447    H    PHE  57           H        PHE  57  -3.788   1.760  -3.591
  448    HA   PHE  57           HA       PHE  57  -2.692   2.770  -6.120
  449   1HB   PHE  57          2HB       PHE  57  -3.573  -0.102  -5.535
  450   2HB   PHE  57          1HB       PHE  57  -2.562   0.468  -6.852
  451    HD1  PHE  57           HD1      PHE  57  -2.601   0.207  -3.138
  452    HD2  PHE  57           HD2      PHE  57  -0.288   0.150  -6.747
  453    HE1  PHE  57           HE1      PHE  57  -0.543  -0.494  -1.819
  454    HE2  PHE  57           HE2      PHE  57   1.676  -0.508  -5.557
  455    HZ   PHE  57           HZ       PHE  57   1.546  -0.850  -3.035
  456    H    ASP  58           H        ASP  58  -4.211   3.690  -7.223
  457    HA   ASP  58           HA       ASP  58  -6.678   3.996  -7.472
  458   1HB   ASP  58          2HB       ASP  58  -4.720   3.181  -9.598
  459   2HB   ASP  58          1HB       ASP  58  -6.391   3.093 -10.050
  460    H    ASN  59           H        ASN  59  -5.569   0.620  -8.490
  461    HA   ASN  59           HA       ASN  59  -8.217  -0.189  -7.617
  462   1HB   ASN  59          2HB       ASN  59  -8.846  -1.337  -9.571
  463   2HB   ASN  59          1HB       ASN  59  -8.142   0.139 -10.217
  464   1HD2  ASN  59          1HD2      ASN  59  -5.975  -1.606 -12.255
  465   2HD2  ASN  59          2HD2      ASN  59  -6.983  -0.265 -12.030
  466    H    GLU  60           H        GLU  60  -8.393  -2.117  -6.773
  467    HA   GLU  60           HA       GLU  60  -6.211  -3.180  -5.379
  468   1HB   GLU  60          2HB       GLU  60  -7.829  -5.171  -5.000
  469   2HB   GLU  60          1HB       GLU  60  -8.186  -3.558  -4.333
  470   1HG   GLU  60          2HG       GLU  60 -10.173  -4.695  -5.333
  471   2HG   GLU  60          1HG       GLU  60  -9.851  -3.220  -6.194
  472    H    VAL  61           H        VAL  61  -7.006  -4.040  -8.722
  473    HA   VAL  61           HA       VAL  61  -5.837  -6.658  -8.588
  474    HB   VAL  61           HB       VAL  61  -5.940  -4.819 -11.051
  475   1HG1  VAL  61          3HG1      VAL  61  -4.797  -7.221 -10.773
  476   2HG1  VAL  61          2HG1      VAL  61  -6.462  -7.701 -11.126
  477   3HG1  VAL  61          1HG1      VAL  61  -5.572  -6.646 -12.260
  478   1HG2  VAL  61          1HG2      VAL  61  -8.164  -6.031  -9.532
  479   2HG2  VAL  61          3HG2      VAL  61  -8.218  -4.766 -10.747
  480   3HG2  VAL  61          2HG2      VAL  61  -8.112  -6.475 -11.227
  481    H    GLN  62           H        GLN  62  -4.895  -3.398  -9.318
  482    HA   GLN  62           HA       GLN  62  -2.059  -3.994  -9.706
  483   1HB   GLN  62          2HB       GLN  62  -2.893  -1.228  -9.079
  484   2HB   GLN  62          1HB       GLN  62  -1.588  -1.828 -10.078
  485   1HG   GLN  62          2HG       GLN  62  -2.878  -1.977 -11.987
  486   2HG   GLN  62          1HG       GLN  62  -4.262  -2.453 -11.075
  487   1HE2  GLN  62          2HE2      GLN  62  -4.158   1.369 -12.053
  488   2HE2  GLN  62          1HE2      GLN  62  -3.260   0.222 -12.888
  489    H    ALA  63           H        ALA  63  -4.108  -2.905  -6.958
  490    HA   ALA  63           HA       ALA  63  -1.794  -2.194  -5.402
  491   1HB   ALA  63          3HB       ALA  63  -4.624  -2.024  -5.157
  492   2HB   ALA  63          2HB       ALA  63  -4.173  -3.144  -3.904
  493   3HB   ALA  63          1HB       ALA  63  -3.472  -1.494  -3.955
  494    H    GLY  64           H        GLY  64  -3.831  -4.916  -5.976
  495   1HA   GLY  64          2HA       GLY  64  -2.915  -6.713  -4.010
  496   2HA   GLY  64          1HA       GLY  64  -3.853  -7.158  -5.467
  497    H    ALA  65           H        ALA  65  -2.079  -5.898  -7.367
  498    HA   ALA  65           HA       ALA  65  -0.244  -8.051  -7.869
  499   1HB   ALA  65          1HB       ALA  65  -1.222  -6.616  -9.711
  500   2HB   ALA  65          3HB       ALA  65  -0.176  -5.310  -9.111
  501   3HB   ALA  65          2HB       ALA  65   0.518  -6.814  -9.758
  502    H    ALA  66           H        ALA  66   0.317  -4.603  -6.955
  503    HA   ALA  66           HA       ALA  66   3.085  -4.721  -6.312
  504   1HB   ALA  66          3HB       ALA  66   0.706  -2.999  -5.635
  505   2HB   ALA  66          2HB       ALA  66   2.005  -2.948  -4.484
  506   3HB   ALA  66          1HB       ALA  66   2.336  -2.509  -6.136
  507    H    ARG  67           H        ARG  67   0.245  -5.414  -4.263
  508    HA   ARG  67           HA       ARG  67   1.791  -5.802  -1.928
  509   1HB   ARG  67          2HB       ARG  67  -0.730  -5.410  -2.147
  510   2HB   ARG  67          1HB       ARG  67  -0.890  -7.070  -2.622
  511   1HG   ARG  67          2HG       ARG  67  -0.917  -6.004   0.034
  512   2HG   ARG  67          1HG       ARG  67  -0.977  -7.686  -0.372
  513   1HD   ARG  67          2HD       ARG  67   1.797  -6.997  -0.472
  514   2HD   ARG  67          1HD       ARG  67   1.046  -6.252   0.963
  515    HE   ARG  67           HE       ARG  67   1.127  -9.176   0.344
  516   1HH1  ARG  67          2HH1      ARG  67  -1.189  -9.092   1.728
  517   2HH1  ARG  67          1HH1      ARG  67  -0.759  -8.930   3.422
  518   1HH2  ARG  67          2HH2      ARG  67   2.457  -7.791   2.736
  519   2HH2  ARG  67          1HH2      ARG  67   1.301  -8.196   3.976
  520    H    ASP  68           H        ASP  68   0.325  -8.209  -4.133
  521    HA   ASP  68           HA       ASP  68   1.650 -10.505  -3.007
  522   1HB   ASP  68          2HB       ASP  68   0.118  -9.956  -5.450
  523   2HB   ASP  68          1HB       ASP  68   1.188 -11.364  -5.517
  524    H    ALA  69           H        ALA  69   2.904  -8.069  -5.205
  525    HA   ALA  69           HA       ALA  69   5.045  -9.842  -6.002
  526   1HB   ALA  69          3HB       ALA  69   4.595  -6.865  -6.492
  527   2HB   ALA  69          2HB       ALA  69   6.090  -7.733  -6.947
  528   3HB   ALA  69          1HB       ALA  69   4.500  -8.199  -7.617
  529    H    LEU  70           H        LEU  70   4.753  -6.991  -3.769
  530    HA   LEU  70           HA       LEU  70   7.393  -7.958  -2.601
  531   1HB   LEU  70          2HB       LEU  70   7.391  -5.679  -1.415
  532   2HB   LEU  70          1HB       LEU  70   7.807  -5.734  -3.110
  533    HG   LEU  70           HG       LEU  70   4.941  -5.430  -2.464
  534   1HD1  LEU  70          1HD1      LEU  70   6.898  -3.507  -1.575
  535   2HD1  LEU  70          3HD1      LEU  70   5.756  -2.785  -2.710
  536   3HD1  LEU  70          2HD1      LEU  70   5.183  -3.554  -1.223
  537   1HD2  LEU  70          1HD2      LEU  70   6.954  -4.611  -4.553
  538   2HD2  LEU  70          3HD2      LEU  70   5.487  -5.550  -4.792
  539   3HD2  LEU  70          2HD2      LEU  70   5.346  -3.828  -4.518
  540    H    GLN  71           H        GLN  71   5.109  -9.375  -2.149
  541    HA   GLN  71           HA       GLN  71   3.866  -8.684   0.381
  542   1HB   GLN  71          2HB       GLN  71   2.807 -10.926   0.233
  543   2HB   GLN  71          1HB       GLN  71   2.732 -10.234  -1.359
  544   1HG   GLN  71          2HG       GLN  71   3.954 -11.834  -2.263
  545   2HG   GLN  71          1HG       GLN  71   5.223 -11.623  -1.065
  546   1HE2  GLN  71          2HE2      GLN  71   2.340 -14.454  -0.581
  547   2HE2  GLN  71          1HE2      GLN  71   2.108 -13.178  -1.693
  548    H    GLY  72           H        GLY  72   6.557  -8.606   0.878
  549   1HA   GLY  72          2HA       GLY  72   7.050  -9.809   3.267
  550   2HA   GLY  72          1HA       GLY  72   7.468 -11.083   2.147
  551    H    PHE  73           H        PHE  73   7.702  -7.569   2.033
  552    HA   PHE  73           HA       PHE  73  10.247  -7.620   0.715
  553   1HB   PHE  73          2HB       PHE  73   8.442  -5.693   0.814
  554   2HB   PHE  73          1HB       PHE  73   9.302  -5.214   2.268
  555    HD1  PHE  73           HD1      PHE  73   9.721  -5.871  -1.408
  556    HD2  PHE  73           HD2      PHE  73  11.407  -4.116   2.160
  557    HE1  PHE  73           HE1      PHE  73  11.456  -4.778  -2.759
  558    HE2  PHE  73           HE2      PHE  73  13.170  -3.017   0.767
  559    HZ   PHE  73           HZ       PHE  73  13.166  -3.374  -1.717
  560    H    LYS  74           H        LYS  74  11.389  -8.976   1.916
  561    HA   LYS  74           HA       LYS  74  12.110  -9.456   4.479
  562   1HB   LYS  74          2HB       LYS  74  14.575  -9.389   3.657
  563   2HB   LYS  74          1HB       LYS  74  13.385 -10.616   3.438
  564   1HG   LYS  74          2HG       LYS  74  13.433 -10.355   1.135
  565   2HG   LYS  74          1HG       LYS  74  13.273  -8.574   1.245
  566   1HD   LYS  74          2HD       LYS  74  15.471  -8.167   1.207
  567   2HD   LYS  74          1HD       LYS  74  15.842  -9.566   2.174
  568   1HE   LYS  74          2HE       LYS  74  14.887 -10.538  -0.334
  569   2HE   LYS  74          1HE       LYS  74  16.191  -9.344  -0.626
  570   1HZ   LYS  74          1HZ       LYS  74  16.351 -11.670   1.201
  571   2HZ   LYS  74          3HZ       LYS  74  17.016 -11.591  -0.369
  572   3HZ   LYS  74          2HZ       LYS  74  17.563 -10.529   0.831
  573    H    ILE  75           H        ILE  75  11.301  -6.977   5.426
  574    HA   ILE  75           HA       ILE  75  13.725  -5.439   5.768
  575    HB   ILE  75           HB       ILE  75  11.697  -6.144   7.852
  576   1HG1  ILE  75          2HG1      ILE  75  10.129  -4.894   6.581
  577   2HG1  ILE  75          1HG1      ILE  75  11.013  -3.528   7.331
  578   1HG2  ILE  75          3HG2      ILE  75  13.917  -5.185   8.498
  579   2HG2  ILE  75          2HG2      ILE  75  13.368  -3.706   7.751
  580   3HG2  ILE  75          1HG2      ILE  75  12.480  -4.449   9.128
  581   1HD1  ILE  75          1HD1      ILE  75  12.591  -3.937   5.182
  582   2HD1  ILE  75          3HD1      ILE  75  11.016  -4.395   4.536
  583   3HD1  ILE  75          2HD1      ILE  75  11.278  -2.802   5.232
  584    H    THR  76           H        THR  76  12.155  -8.406   6.670
  585    HA   THR  76           HA       THR  76  13.223  -9.873   8.649
  586    HB   THR  76           HB       THR  76  13.623 -10.277   5.765
  587    HG1  THR  76          1HG       THR  76  11.245 -11.244   6.874
  588   1HG2  THR  76          1HG2      THR  76  13.435 -11.887   8.302
  589   2HG2  THR  76          3HG2      THR  76  12.924 -12.734   6.890
  590   3HG2  THR  76          2HG2      THR  76  14.584 -12.041   7.018
  591    H    GLN  77           H        GLN  77  14.760  -8.456   5.951
  592    HA   GLN  77           HA       GLN  77  16.966  -9.929   6.013
  593   1HB   GLN  77          2HB       GLN  77  18.286  -8.151   4.846
  594   2HB   GLN  77          1HB       GLN  77  16.582  -7.743   4.547
  595   1HG   GLN  77          2HG       GLN  77  16.609  -5.987   6.081
  596   2HG   GLN  77          1HG       GLN  77  18.057  -6.556   6.902
  597   1HE2  GLN  77          2HE2      GLN  77  18.370  -4.680   3.286
  598   2HE2  GLN  77          1HE2      GLN  77  16.899  -5.404   3.731
  599    H    ASN  78           H        ASN  78  15.365  -8.157   7.977
  600    HA   ASN  78           HA       ASN  78  16.955  -8.531  10.396
  601   1HB   ASN  78          2HB       ASN  78  16.976  -5.964   9.569
  602   2HB   ASN  78          1HB       ASN  78  15.320  -6.013  10.225
  603   1HD2  ASN  78          2HD2      ASN  78  18.358  -6.406  12.944
  604   2HD2  ASN  78          1HD2      ASN  78  18.714  -6.725  11.340
  605    H    ASN  79           H        ASN  79  13.973  -7.316   8.974
  606    HA   ASN  79           HA       ASN  79  12.427  -9.389  10.349
  607   1HB   ASN  79          2HB       ASN  79  12.051  -6.470  10.123
  608   2HB   ASN  79          1HB       ASN  79  10.593  -7.431  10.353
  609   1HD2  ASN  79          1HD2      ASN  79  11.000  -7.176  13.873
  610   2HD2  ASN  79          2HD2      ASN  79  10.033  -6.937  12.520
  611    H    ALA  80           H        ALA  80  10.524  -6.942   8.514
  612    HA   ALA  80           HA       ALA  80  10.227  -8.385   6.128
  613   1HB   ALA  80          2HB       ALA  80   9.119  -9.869   8.187
  614   2HB   ALA  80          1HB       ALA  80   7.752  -9.047   7.365
  615   3HB   ALA  80          3HB       ALA  80   8.877 -10.019   6.475
  616    H    MET  81           H        MET  81   9.160  -6.834   4.856
  617    HA   MET  81           HA       MET  81   7.998  -4.478   6.042
  618   1HB   MET  81          2HB       MET  81   8.545  -4.207   3.787
  619   2HB   MET  81          1HB       MET  81   7.767  -5.710   3.320
  620   1HG   MET  81          2HG       MET  81   5.754  -4.738   3.136
  621   2HG   MET  81          1HG       MET  81   5.966  -3.642   4.502
  622   1HE   MET  81          1HE       MET  81   6.165  -4.447   1.177
  623   2HE   MET  81          3HE       MET  81   6.320  -2.948   0.253
  624   3HE   MET  81          2HE       MET  81   7.762  -3.885   0.721
  625    H    LYS  82           H        LYS  82   5.682  -3.847   6.511
  626    HA   LYS  82           HA       LYS  82   3.784  -6.099   6.345
  627   1HB   LYS  82          2HB       LYS  82   4.785  -4.821   8.752
  628   2HB   LYS  82          1HB       LYS  82   3.007  -4.797   8.609
  629   1HG   LYS  82          2HG       LYS  82   3.466  -7.316   7.910
  630   2HG   LYS  82          1HG       LYS  82   4.950  -7.100   8.828
  631   1HD   LYS  82          2HD       LYS  82   3.416  -7.906  10.425
  632   2HD   LYS  82          1HD       LYS  82   3.390  -6.135  10.664
  633   1HE   LYS  82          2HE       LYS  82   1.202  -6.007  10.126
  634   2HE   LYS  82          1HE       LYS  82   1.502  -6.906   8.642
  635   1HZ   LYS  82          1HZ       LYS  82   1.614  -8.485  11.072
  636   2HZ   LYS  82          3HZ       LYS  82   0.067  -7.983  10.538
  637   3HZ   LYS  82          2HZ       LYS  82   1.072  -8.867   9.514
  638    H    ILE  83           H        ILE  83   2.342  -5.491   5.075
  639    HA   ILE  83           HA       ILE  83   1.312  -2.740   4.635
  640    HB   ILE  83           HB       ILE  83   2.391  -4.847   2.778
  641   1HG1  ILE  83          2HG1      ILE  83   2.187  -1.822   2.567
  642   2HG1  ILE  83          1HG1      ILE  83   3.487  -2.630   3.484
  643   1HG2  ILE  83          2HG2      ILE  83  -0.077  -3.209   2.557
  644   2HG2  ILE  83          1HG2      ILE  83   0.872  -3.301   1.109
  645   3HG2  ILE  83          3HG2      ILE  83   0.216  -4.782   1.841
  646   1HD1  ILE  83          3HD1      ILE  83   2.846  -3.429   0.651
  647   2HD1  ILE  83          2HD1      ILE  83   3.947  -2.067   0.981
  648   3HD1  ILE  83          1HD1      ILE  83   4.362  -3.662   1.542
  649    H    SER  84           H        SER  84  -0.702  -2.838   5.351
  650    HA   SER  84           HA       SER  84  -2.342  -5.276   5.246
  651   1HB   SER  84          2HB       SER  84  -2.335  -4.829   7.471
  652   2HB   SER  84          1HB       SER  84  -2.306  -3.047   7.303
  653    HG   SER  84           HG       SER  84  -4.353  -3.134   7.228
  654    H    PHE  85           H        PHE  85  -3.501  -4.999   3.389
  655    HA   PHE  85           HA       PHE  85  -4.218  -2.792   2.016
  656   1HB   PHE  85          2HB       PHE  85  -6.459  -4.291   1.649
  657   2HB   PHE  85          1HB       PHE  85  -4.941  -4.612   0.820
  658    HD1  PHE  85           HD1      PHE  85  -6.903  -5.374   3.814
  659    HD2  PHE  85           HD2      PHE  85  -3.825  -6.570   1.126
  660    HE1  PHE  85           HE1      PHE  85  -6.874  -7.662   4.920
  661    HE2  PHE  85           HE2      PHE  85  -3.758  -8.864   2.207
  662    HZ   PHE  85           HZ       PHE  85  -5.253  -9.384   4.054
  663    H    ALA  86           H        ALA  86  -6.566  -1.832   1.891
  664    HA   ALA  86           HA       ALA  86  -7.268  -0.791   4.458
  665   1HB   ALA  86          1HB       ALA  86  -8.150  -0.432   1.670
  666   2HB   ALA  86          3HB       ALA  86  -9.399  -0.155   2.898
  667   3HB   ALA  86          2HB       ALA  86  -7.926   0.770   2.944
  668    H    LYS  87           H        LYS  87  -8.006  -3.869   3.535
  669    HA   LYS  87           HA       LYS  87 -10.777  -4.264   3.786
  670   1HB   LYS  87          2HB       LYS  87  -9.492  -6.253   3.290
  671   2HB   LYS  87          1HB       LYS  87  -8.468  -5.976   4.670
  672   1HG   LYS  87          2HG       LYS  87  -9.855  -7.719   5.286
  673   2HG   LYS  87          1HG       LYS  87 -10.606  -6.387   6.118
  674   1HD   LYS  87          2HD       LYS  87 -12.381  -6.283   4.612
  675   2HD   LYS  87          1HD       LYS  87 -11.422  -7.042   3.302
  676   1HE   LYS  87          2HE       LYS  87 -11.509  -9.233   4.390
  677   2HE   LYS  87          1HE       LYS  87 -12.328  -8.486   5.762
  678   1HZ   LYS  87          2HZ       LYS  87 -14.168  -7.968   4.338
  679   2HZ   LYS  87          1HZ       LYS  87 -13.429  -8.690   2.985
  680   3HZ   LYS  87          3HZ       LYS  87 -13.865  -9.656   4.276
  681    H    LYS  88           H        LYS  88 -11.947  -3.297   5.214
  682    HA   LYS  88           HA       LYS  88 -11.213  -3.150   8.110
  683   1HB   LYS  88          2HB       LYS  88 -11.301  -0.969   7.244
  684   2HB   LYS  88          1HB       LYS  88 -12.734  -1.331   6.247
  685   1HG   LYS  88          2HG       LYS  88 -13.960  -1.669   8.515
  686   2HG   LYS  88          1HG       LYS  88 -12.639  -0.720   9.192
  687   1HD   LYS  88          2HD       LYS  88 -13.059   0.806   7.132
  688   2HD   LYS  88          1HD       LYS  88 -14.659   0.072   7.149
  689   1HE   LYS  88          2HE       LYS  88 -14.861   0.717   9.538
  690   2HE   LYS  88          1HE       LYS  88 -13.307   1.494   9.478
  691   1HZ   LYS  88          3HZ       LYS  88 -15.572   2.273   7.699
  692   2HZ   LYS  88          2HZ       LYS  88 -15.083   3.116   9.105
  693   3HZ   LYS  88          1HZ       LYS  88 -14.056   2.974   7.758
   
  No H/Q in entry =         693
  Start of MODEL   11
    1   1H    MET   1          3H        MET   1 -21.250 -17.738  -1.721
    2   2H    MET   1          2H        MET   1 -20.576 -18.763  -0.547
    3   3H    MET   1          1H        MET   1 -22.288 -18.711  -0.783
    4    HA   MET   1           HA       MET   1 -22.541 -16.686   0.251
    5   1HB   MET   1          2HB       MET   1 -21.738 -18.475   1.812
    6   2HB   MET   1          1HB       MET   1 -20.122 -17.773   1.687
    7   1HG   MET   1          2HG       MET   1 -21.392 -15.522   2.328
    8   2HG   MET   1          1HG       MET   1 -22.619 -16.648   2.879
    9   1HE   MET   1          2HE       MET   1 -21.004 -14.506   4.474
   10   2HE   MET   1          1HE       MET   1 -19.753 -15.108   5.541
   11   3HE   MET   1          3HE       MET   1 -19.401 -14.842   3.803
   12    H    ALA   2           H        ALA   2 -21.829 -14.909  -1.227
   13    HA   ALA   2           HA       ALA   2 -19.102 -14.373  -1.761
   14   1HB   ALA   2          3HB       ALA   2 -21.480 -12.513  -1.702
   15   2HB   ALA   2          2HB       ALA   2 -19.924 -12.113  -2.416
   16   3HB   ALA   2          1HB       ALA   2 -20.902 -13.378  -3.152
   17    HA   PRO   3           HA       PRO   3 -17.614 -12.356   1.838
   18   1HB   PRO   3          2HB       PRO   3 -16.778  -9.963   0.376
   19   2HB   PRO   3          1HB       PRO   3 -15.815 -11.183   1.280
   20   1HG   PRO   3          2HG       PRO   3 -16.023 -10.928  -1.512
   21   2HG   PRO   3          1HG       PRO   3 -15.509 -12.417  -0.668
   22   1HD   PRO   3          2HD       PRO   3 -18.066 -11.865  -2.098
   23   2HD   PRO   3          1HD       PRO   3 -17.311 -13.417  -1.645
   24    H    ALA   4           H        ALA   4 -18.934  -9.726  -0.313
   25    HA   ALA   4           HA       ALA   4 -20.432  -8.014   0.139
   26   1HB   ALA   4          1HB       ALA   4 -21.707 -10.192   1.101
   27   2HB   ALA   4          3HB       ALA   4 -21.385  -9.320   2.621
   28   3HB   ALA   4          2HB       ALA   4 -22.329  -8.554   1.382
   29    H    GLN   5           H        GLN   5 -21.187  -6.787   2.536
   30    HA   GLN   5           HA       GLN   5 -18.876  -6.834   4.325
   31   1HB   GLN   5          2HB       GLN   5 -19.182  -4.040   3.812
   32   2HB   GLN   5          1HB       GLN   5 -17.809  -5.065   3.487
   33   1HG   GLN   5          2HG       GLN   5 -18.500  -4.004   1.402
   34   2HG   GLN   5          1HG       GLN   5 -18.962  -5.672   1.256
   35   1HE2  GLN   5          2HE2      GLN   5 -22.237  -4.488   0.542
   36   2HE2  GLN   5          1HE2      GLN   5 -20.894  -5.423   0.040
   37    HA   PRO   6           HA       PRO   6 -21.938  -5.417   7.224
   38   1HB   PRO   6          2HB       PRO   6 -20.369  -4.156   9.072
   39   2HB   PRO   6          1HB       PRO   6 -20.422  -5.922   8.865
   40   1HG   PRO   6          2HG       PRO   6 -18.238  -4.005   8.246
   41   2HG   PRO   6          1HG       PRO   6 -18.185  -5.772   8.426
   42   1HD   PRO   6          2HD       PRO   6 -18.290  -4.283   5.950
   43   2HD   PRO   6          1HD       PRO   6 -18.213  -6.057   6.187
   44    H    LEU   7           H        LEU   7 -19.675  -2.744   7.574
   45    HA   LEU   7           HA       LEU   7 -21.496  -0.891   6.177
   46   1HB   LEU   7          2HB       LEU   7 -20.419  -0.159   8.925
   47   2HB   LEU   7          1HB       LEU   7 -21.662   0.630   7.950
   48    HG   LEU   7           HG       LEU   7 -22.110  -2.173   8.921
   49   1HD1  LEU   7          1HD1      LEU   7 -21.587  -0.696  10.892
   50   2HD1  LEU   7          3HD1      LEU   7 -22.951   0.331  10.381
   51   3HD1  LEU   7          2HD1      LEU   7 -23.209  -1.306  10.904
   52   1HD2  LEU   7          2HD2      LEU   7 -23.751   0.106   7.881
   53   2HD2  LEU   7          1HD2      LEU   7 -23.865  -1.584   7.401
   54   3HD2  LEU   7          3HD2      LEU   7 -24.472  -1.075   8.991
   55    H    SER   8           H        SER   8 -18.892  -2.205   5.760
   56    HA   SER   8           HA       SER   8 -16.975   0.080   5.792
   57   1HB   SER   8          2HB       SER   8 -16.437  -2.155   6.820
   58   2HB   SER   8          1HB       SER   8 -16.350  -2.805   5.163
   59    HG   SER   8           HG       SER   8 -14.543  -1.903   4.912
   60    H    GLU   9           H        GLU   9 -18.599   0.747   3.929
   61    HA   GLU   9           HA       GLU   9 -17.806  -0.497   1.303
   62   1HB   GLU   9          2HB       GLU   9 -19.867   0.707   0.510
   63   2HB   GLU   9          1HB       GLU   9 -20.188  -0.721   1.440
   64   1HG   GLU   9          2HG       GLU   9 -20.440   0.657   3.478
   65   2HG   GLU   9          1HG       GLU   9 -20.269   2.115   2.485
   66    H    ASN  10           H        ASN  10 -15.960   1.099   2.256
   67    HA   ASN  10           HA       ASN  10 -16.375   3.910   1.775
   68   1HB   ASN  10          2HB       ASN  10 -13.875   4.116   1.964
   69   2HB   ASN  10          1HB       ASN  10 -14.668   3.342   3.335
   70   1HD2  ASN  10          2HD2      ASN  10 -11.696   1.383   1.836
   71   2HD2  ASN  10          1HD2      ASN  10 -11.917   3.040   2.121
   72    HA   PRO  11           HA       PRO  11 -16.041   3.805  -2.625
   73   1HB   PRO  11          2HB       PRO  11 -14.858   6.450  -2.792
   74   2HB   PRO  11          1HB       PRO  11 -16.538   5.994  -3.048
   75   1HG   PRO  11          2HG       PRO  11 -15.351   7.341  -0.744
   76   2HG   PRO  11          1HG       PRO  11 -17.075   7.095  -1.198
   77   1HD   PRO  11          2HD       PRO  11 -15.546   5.820   0.846
   78   2HD   PRO  11          1HD       PRO  11 -17.175   5.376   0.347
   79    HA   PRO  12           HA       PRO  12 -12.172   2.715  -4.162
   80   1HB   PRO  12          2HB       PRO  12 -12.565   5.020  -6.133
   81   2HB   PRO  12          1HB       PRO  12 -12.097   3.317  -6.480
   82   1HG   PRO  12          2HG       PRO  12 -14.562   4.181  -6.824
   83   2HG   PRO  12          1HG       PRO  12 -14.236   2.568  -6.094
   84   1HD   PRO  12          2HD       PRO  12 -15.297   5.070  -4.749
   85   2HD   PRO  12          1HD       PRO  12 -15.635   3.347  -4.436
   86    H    ASN  13           H        ASN  13 -10.668   3.365  -2.581
   87    HA   ASN  13           HA       ASN  13 -10.001   6.138  -2.281
   88   1HB   ASN  13          2HB       ASN  13  -7.989   5.123  -0.890
   89   2HB   ASN  13          1HB       ASN  13  -9.620   4.738  -0.281
   90   1HD2  ASN  13          2HD2      ASN  13  -9.587   1.406  -1.099
   91   2HD2  ASN  13          1HD2      ASN  13 -10.550   2.704  -0.668
   92    H    HIS  14           H        HIS  14  -8.170   3.439  -3.638
   93    HA   HIS  14           HA       HIS  14  -6.273   3.291  -4.992
   94   1HB   HIS  14          2HB       HIS  14  -6.106   5.982  -6.042
   95   2HB   HIS  14          1HB       HIS  14  -6.461   4.433  -6.868
   96    HD1  HIS  14           HD1      HIS  14  -8.954   3.819  -7.128
   97    HD2  HIS  14           HD2      HIS  14  -8.448   7.665  -5.763
   98    HE1  HIS  14           HE1      HIS  14 -11.131   4.945  -7.469
   99    HE2  HIS  14           HE2      HIS  14 -10.886   7.353  -6.627
  100    H    ILE  15           H        ILE  15  -6.165   4.328  -2.275
  101    HA   ILE  15           HA       ILE  15  -3.468   5.549  -2.242
  102    HB   ILE  15           HB       ILE  15  -5.857   6.874  -0.965
  103   1HG1  ILE  15          2HG1      ILE  15  -3.252   7.559  -2.316
  104   2HG1  ILE  15          1HG1      ILE  15  -4.882   7.893  -2.921
  105   1HG2  ILE  15          2HG2      ILE  15  -4.422   6.149   0.945
  106   2HG2  ILE  15          1HG2      ILE  15  -3.050   6.922   0.126
  107   3HG2  ILE  15          3HG2      ILE  15  -4.374   7.865   0.741
  108   1HD1  ILE  15          3HD1      ILE  15  -4.766   9.231  -0.488
  109   2HD1  ILE  15          2HD1      ILE  15  -3.124   9.422  -1.091
  110   3HD1  ILE  15          1HD1      ILE  15  -4.490   9.986  -2.077
  111    H    LEU  16           H        LEU  16  -2.346   4.085  -1.028
  112    HA   LEU  16           HA       LEU  16  -3.722   2.768   1.229
  113   1HB   LEU  16          2HB       LEU  16  -1.356   1.450  -0.119
  114   2HB   LEU  16          1HB       LEU  16  -2.834   0.749   0.594
  115    HG   LEU  16           HG       LEU  16  -4.071   1.987  -1.348
  116   1HD1  LEU  16          3HD1      LEU  16  -1.383   2.476  -1.995
  117   2HD1  LEU  16          2HD1      LEU  16  -1.837   1.150  -3.018
  118   3HD1  LEU  16          1HD1      LEU  16  -2.784   2.667  -3.096
  119   1HD2  LEU  16          1HD2      LEU  16  -2.803  -0.681  -1.196
  120   2HD2  LEU  16          3HD2      LEU  16  -4.497  -0.196  -1.349
  121   3HD2  LEU  16          2HD2      LEU  16  -3.412  -0.189  -2.746
  122    H    PHE  17           H        PHE  17  -3.114   3.579   2.976
  123    HA   PHE  17           HA       PHE  17  -0.362   4.454   3.485
  124   1HB   PHE  17          2HB       PHE  17  -1.353   6.511   3.594
  125   2HB   PHE  17          1HB       PHE  17  -2.921   5.820   4.028
  126    HD1  PHE  17           HD2      PHE  17   0.622   5.869   5.343
  127    HD2  PHE  17           HD1      PHE  17  -3.528   6.016   6.341
  128    HE1  PHE  17           HE2      PHE  17   1.211   6.092   7.769
  129    HE2  PHE  17           HE1      PHE  17  -2.935   6.232   8.779
  130    HZ   PHE  17           HZ       PHE  17  -0.585   6.269   9.457
  131    H    LEU  18           H        LEU  18   0.507   3.528   5.062
  132    HA   LEU  18           HA       LEU  18  -0.524   2.951   7.500
  133   1HB   LEU  18          2HB       LEU  18  -2.049   1.359   6.543
  134   2HB   LEU  18          1HB       LEU  18  -0.771   0.253   6.257
  135    HG   LEU  18           HG       LEU  18  -0.618   1.433   8.919
  136   1HD1  LEU  18          2HD1      LEU  18  -2.966   1.913   8.295
  137   2HD1  LEU  18          1HD1      LEU  18  -3.304   0.176   8.515
  138   3HD1  LEU  18          3HD1      LEU  18  -2.648   1.120   9.849
  139   1HD2  LEU  18          3HD2      LEU  18  -1.223  -1.312   7.809
  140   2HD2  LEU  18          2HD2      LEU  18   0.118  -0.830   8.899
  141   3HD2  LEU  18          1HD2      LEU  18  -1.571  -1.004   9.479
  142    H    THR  19           H        THR  19   0.975   0.759   8.124
  143    HA   THR  19           HA       THR  19   3.698   1.747   7.628
  144    HB   THR  19           HB       THR  19   3.961   2.763   9.709
  145    HG1  THR  19          1HG       THR  19   3.599   1.662  11.482
  146   1HG2  THR  19          2HG2      THR  19   1.719   3.667   8.844
  147   2HG2  THR  19          1HG2      THR  19   1.051   2.640  10.143
  148   3HG2  THR  19          3HG2      THR  19   2.142   3.925  10.555
  149    H    ASN  20           H        ASN  20   5.008   0.466   9.195
  150    HA   ASN  20           HA       ASN  20   5.097  -1.388  10.696
  151   1HB   ASN  20          2HB       ASN  20   3.011  -2.538  10.019
  152   2HB   ASN  20          1HB       ASN  20   3.806  -3.095   8.517
  153   1HD2  ASN  20          1HD2      ASN  20   4.538  -4.896  12.011
  154   2HD2  ASN  20          2HD2      ASN  20   3.404  -3.608  11.903
  155    H    LEU  21           H        LEU  21   6.855   0.119   9.473
  156    HA   LEU  21           HA       LEU  21   8.551  -1.730   7.861
  157   1HB   LEU  21          2HB       LEU  21   8.812   1.085   7.248
  158   2HB   LEU  21          1HB       LEU  21   8.697  -0.361   6.197
  159    HG   LEU  21           HG       LEU  21   6.079   0.237   7.339
  160   1HD1  LEU  21          3HD1      LEU  21   7.619   2.542   6.911
  161   2HD1  LEU  21          2HD1      LEU  21   6.512   2.393   5.541
  162   3HD1  LEU  21          1HD1      LEU  21   5.898   2.383   7.171
  163   1HD2  LEU  21          3HD2      LEU  21   6.615  -1.155   5.390
  164   2HD2  LEU  21          2HD2      LEU  21   5.346   0.002   5.170
  165   3HD2  LEU  21          1HD2      LEU  21   6.951   0.347   4.476
  166    HA   PRO  22           HA       PRO  22  11.272  -0.340  11.269
  167   1HB   PRO  22          2HB       PRO  22  13.231  -2.187  10.485
  168   2HB   PRO  22          1HB       PRO  22  12.037  -2.334  11.781
  169   1HG   PRO  22          2HG       PRO  22  12.169  -3.780   9.206
  170   2HG   PRO  22          1HG       PRO  22  11.056  -4.043  10.554
  171   1HD   PRO  22          2HD       PRO  22  10.610  -2.627   8.023
  172   2HD   PRO  22          1HD       PRO  22   9.431  -2.981   9.332
  173    H    GLU  23           H        GLU  23  14.131  -0.481  10.590
  174    HA   GLU  23           HA       GLU  23  14.219   1.837   8.763
  175   1HB   GLU  23          2HB       GLU  23  16.401   2.234   9.716
  176   2HB   GLU  23          1HB       GLU  23  15.444   1.569  11.025
  177   1HG   GLU  23          2HG       GLU  23  16.249  -0.672  10.574
  178   2HG   GLU  23          1HG       GLU  23  17.276  -0.065   9.259
  179    H    GLU  24           H        GLU  24  14.162  -1.482   8.316
  180    HA   GLU  24           HA       GLU  24  16.320  -1.544   6.321
  181   1HB   GLU  24          2HB       GLU  24  15.796  -3.399   8.067
  182   2HB   GLU  24          1HB       GLU  24  14.513  -3.870   6.956
  183   1HG   GLU  24          2HG       GLU  24  15.857  -4.485   5.286
  184   2HG   GLU  24          1HG       GLU  24  17.158  -3.340   5.733
  185    H    THR  25           H        THR  25  13.920   0.058   5.929
  186    HA   THR  25           HA       THR  25  12.635  -1.326   3.643
  187    HB   THR  25           HB       THR  25  11.143  -0.473   5.388
  188    HG1  THR  25          1HG       THR  25  10.288  -0.177   3.333
  189   1HG2  THR  25          2HG2      THR  25  12.992   1.717   5.501
  190   2HG2  THR  25          1HG2      THR  25  11.393   2.381   5.160
  191   3HG2  THR  25          3HG2      THR  25  11.619   1.332   6.533
  192    H    ASN  26           H        ASN  26  12.479  -0.011   1.531
  193    HA   ASN  26           HA       ASN  26  14.179   2.450   1.600
  194   1HB   ASN  26          2HB       ASN  26  15.824   1.081   0.867
  195   2HB   ASN  26          1HB       ASN  26  14.673  -0.122   0.215
  196   1HD2  ASN  26          2HD2      ASN  26  16.077   0.906  -2.817
  197   2HD2  ASN  26          1HD2      ASN  26  16.234  -0.177  -1.557
  198    H    GLU  27           H        GLU  27  13.471   4.005   0.374
  199    HA   GLU  27           HA       GLU  27  10.791   4.242  -0.555
  200   1HB   GLU  27          2HB       GLU  27  11.766   6.218   0.131
  201   2HB   GLU  27          1HB       GLU  27  13.162   5.999  -0.976
  202   1HG   GLU  27          2HG       GLU  27  11.640   7.665  -1.861
  203   2HG   GLU  27          1HG       GLU  27  11.605   6.267  -2.883
  204    H    LEU  28           H        LEU  28  13.945   3.839  -2.365
  205    HA   LEU  28           HA       LEU  28  12.710   4.156  -4.909
  206   1HB   LEU  28          2HB       LEU  28  14.898   4.663  -5.195
  207   2HB   LEU  28          1HB       LEU  28  15.393   3.654  -3.818
  208    HG   LEU  28           HG       LEU  28  15.072   1.636  -5.434
  209   1HD1  LEU  28          3HD1      LEU  28  15.199   3.854  -7.508
  210   2HD1  LEU  28          2HD1      LEU  28  15.289   2.121  -7.755
  211   3HD1  LEU  28          1HD1      LEU  28  13.786   2.822  -7.155
  212   1HD2  LEU  28          2HD2      LEU  28  17.135   2.762  -4.607
  213   2HD2  LEU  28          1HD2      LEU  28  17.262   1.834  -6.112
  214   3HD2  LEU  28          3HD2      LEU  28  17.185   3.611  -6.162
  215    H    MET  29           H        MET  29  13.242   1.664  -2.624
  216    HA   MET  29           HA       MET  29  13.038  -0.630  -4.311
  217   1HB   MET  29          2HB       MET  29  13.823  -0.280  -1.858
  218   2HB   MET  29          1HB       MET  29  12.169  -0.457  -1.368
  219   1HG   MET  29          2HG       MET  29  14.169  -2.391  -2.468
  220   2HG   MET  29          1HG       MET  29  13.006  -2.609  -1.150
  221   1HE   MET  29          1HE       MET  29  14.004  -4.416  -2.832
  222   2HE   MET  29          3HE       MET  29  12.605  -5.421  -3.307
  223   3HE   MET  29          2HE       MET  29  13.557  -4.558  -4.522
  224    H    LEU  30           H        LEU  30  10.803   0.834  -1.981
  225    HA   LEU  30           HA       LEU  30   8.468  -0.504  -3.073
  226   1HB   LEU  30          2HB       LEU  30   9.068   1.400  -0.915
  227   2HB   LEU  30          1HB       LEU  30   7.456   1.641  -1.614
  228    HG   LEU  30           HG       LEU  30   7.539  -1.047  -1.453
  229   1HD1  LEU  30          3HD1      LEU  30   9.653  -0.111   0.197
  230   2HD1  LEU  30          2HD1      LEU  30   8.454  -0.912   1.244
  231   3HD1  LEU  30          1HD1      LEU  30   9.189  -1.748  -0.139
  232   1HD2  LEU  30          2HD2      LEU  30   6.343   1.160   0.068
  233   2HD2  LEU  30          1HD2      LEU  30   5.616  -0.380  -0.432
  234   3HD2  LEU  30          3HD2      LEU  30   6.520  -0.270   1.056
  235    H    SER  31           H        SER  31  10.205   2.309  -3.883
  236    HA   SER  31           HA       SER  31   8.384   3.902  -5.242
  237   1HB   SER  31          2HB       SER  31  10.579   4.857  -5.010
  238   2HB   SER  31          1HB       SER  31  11.268   3.409  -5.809
  239    HG   SER  31           HG       SER  31  11.084   5.169  -7.206
  240    H    MET  32           H        MET  32  10.723   1.579  -6.492
  241    HA   MET  32           HA       MET  32   9.698   1.393  -9.180
  242   1HB   MET  32          2HB       MET  32  11.422  -0.565  -7.692
  243   2HB   MET  32          1HB       MET  32  11.285  -0.324  -9.449
  244   1HG   MET  32          2HG       MET  32  12.053   2.121  -8.077
  245   2HG   MET  32          1HG       MET  32  13.208   0.855  -7.751
  246   1HE   MET  32          1HE       MET  32  15.061   0.486  -9.005
  247   2HE   MET  32          3HE       MET  32  14.287  -0.799  -9.928
  248   3HE   MET  32          2HE       MET  32  15.212   0.451 -10.764
  249    H    LEU  33           H        LEU  33   9.093  -0.456  -6.128
  250    HA   LEU  33           HA       LEU  33   7.898  -2.735  -7.398
  251   1HB   LEU  33          2HB       LEU  33   8.207  -1.627  -4.616
  252   2HB   LEU  33          1HB       LEU  33   6.730  -2.514  -4.913
  253    HG   LEU  33           HG       LEU  33   9.521  -3.541  -5.536
  254   1HD1  LEU  33          2HD1      LEU  33   8.852  -3.155  -2.982
  255   2HD1  LEU  33          1HD1      LEU  33   7.907  -4.640  -3.255
  256   3HD1  LEU  33          3HD1      LEU  33   9.636  -4.640  -3.512
  257   1HD2  LEU  33          2HD2      LEU  33   7.526  -4.586  -6.721
  258   2HD2  LEU  33          1HD2      LEU  33   8.464  -5.719  -5.715
  259   3HD2  LEU  33          3HD2      LEU  33   6.954  -5.084  -5.098
  260    H    PHE  34           H        PHE  34   7.002   0.338  -6.175
  261    HA   PHE  34           HA       PHE  34   4.162  -0.130  -6.665
  262   1HB   PHE  34          2HB       PHE  34   5.710   2.325  -5.711
  263   2HB   PHE  34          1HB       PHE  34   4.001   2.495  -6.172
  264    HD1  PHE  34           HD2      PHE  34   3.000  -0.275  -5.156
  265    HD2  PHE  34           HD1      PHE  34   5.602   2.674  -3.482
  266    HE1  PHE  34           HE2      PHE  34   2.417  -1.044  -2.899
  267    HE2  PHE  34           HE1      PHE  34   4.995   1.889  -1.210
  268    HZ   PHE  34           HZ       PHE  34   3.418   0.047  -0.921
  269    H    ASN  35           H        ASN  35   6.881   1.173  -8.215
  270    HA   ASN  35           HA       ASN  35   5.687   2.612 -10.350
  271   1HB   ASN  35          2HB       ASN  35   8.194   2.610  -9.670
  272   2HB   ASN  35          1HB       ASN  35   8.334   1.159 -10.676
  273   1HD2  ASN  35          1HD2      ASN  35   8.514   4.646 -12.472
  274   2HD2  ASN  35          2HD2      ASN  35   8.767   4.439 -10.783
  275    H    GLN  36           H        GLN  36   6.458  -0.758  -9.868
  276    HA   GLN  36           HA       GLN  36   6.255  -1.898 -12.371
  277   1HB   GLN  36          2HB       GLN  36   5.320  -2.617  -9.648
  278   2HB   GLN  36          1HB       GLN  36   4.584  -3.578 -10.940
  279   1HG   GLN  36          2HG       GLN  36   7.201  -3.660 -11.719
  280   2HG   GLN  36          1HG       GLN  36   7.376  -3.513  -9.963
  281   1HE2  GLN  36          1HE2      GLN  36   5.323  -6.627  -9.565
  282   2HE2  GLN  36          2HE2      GLN  36   5.192  -5.035  -9.010
  283    H    PHE  37           H        PHE  37   3.669  -0.138 -10.805
  284    HA   PHE  37           HA       PHE  37   1.590  -1.123 -12.559
  285   1HB   PHE  37          2HB       PHE  37   1.569   0.544 -10.086
  286   2HB   PHE  37          1HB       PHE  37   0.101   0.048 -10.872
  287    HD1  PHE  37           HD1      PHE  37  -0.398  -2.475 -11.104
  288    HD2  PHE  37           HD2      PHE  37   3.031  -0.974  -8.989
  289    HE1  PHE  37           HE1      PHE  37   0.002  -4.708 -10.087
  290    HE2  PHE  37           HE2      PHE  37   3.422  -3.204  -7.976
  291    HZ   PHE  37           HZ       PHE  37   1.890  -5.086  -8.535
  292    HA   PRO  38           HA       PRO  38   1.995   2.464 -15.330
  293   1HB   PRO  38          2HB       PRO  38  -0.234   2.025 -16.743
  294   2HB   PRO  38          1HB       PRO  38   1.200   0.964 -16.993
  295   1HG   PRO  38          2HG       PRO  38  -1.131   0.399 -15.134
  296   2HG   PRO  38          1HG       PRO  38  -0.480  -0.649 -16.405
  297   1HD   PRO  38          2HD       PRO  38   0.359  -1.046 -13.986
  298   2HD   PRO  38          1HD       PRO  38   1.672  -0.827 -15.181
  299    H    GLY  39           H        GLY  39   1.476   3.784 -13.439
  300   1HA   GLY  39          2HA       GLY  39  -0.656   5.535 -13.640
  301   2HA   GLY  39          1HA       GLY  39  -1.261   4.302 -12.515
  302    H    PHE  40           H        PHE  40   1.352   3.688 -11.537
  303    HA   PHE  40           HA       PHE  40   1.819   4.426  -9.168
  304   1HB   PHE  40          2HB       PHE  40   3.723   3.540 -10.314
  305   2HB   PHE  40          1HB       PHE  40   3.643   4.833 -11.518
  306    HD1  PHE  40           HD2      PHE  40   4.117   4.442  -7.888
  307    HD2  PHE  40           HD1      PHE  40   5.233   6.442 -11.537
  308    HE1  PHE  40           HE2      PHE  40   5.918   5.825  -6.630
  309    HE2  PHE  40           HE1      PHE  40   6.940   7.742 -10.318
  310    HZ   PHE  40           HZ       PHE  40   7.260   7.401  -7.828
  311    H    LYS  41           H        LYS  41   0.779   6.184  -8.236
  312    HA   LYS  41           HA       LYS  41   1.234   8.891  -9.405
  313   1HB   LYS  41          2HB       LYS  41  -0.908   7.738  -8.165
  314   2HB   LYS  41          1HB       LYS  41  -0.149   8.657  -6.865
  315   1HG   LYS  41          2HG       LYS  41  -0.053  10.532  -8.761
  316   2HG   LYS  41          1HG       LYS  41  -1.590   9.705  -9.178
  317   1HD   LYS  41          2HD       LYS  41  -1.044  10.229  -6.272
  318   2HD   LYS  41          1HD       LYS  41  -1.534  11.580  -7.239
  319   1HE   LYS  41          2HE       LYS  41  -3.415  10.022  -8.071
  320   2HE   LYS  41          1HE       LYS  41  -2.963   8.913  -6.749
  321   1HZ   LYS  41          3HZ       LYS  41  -3.332  10.706  -5.208
  322   2HZ   LYS  41          2HZ       LYS  41  -3.863  11.691  -6.482
  323   3HZ   LYS  41          1HZ       LYS  41  -4.745  10.272  -6.068
  324    H    GLU  42           H        GLU  42   1.323   7.831  -5.973
  325    HA   GLU  42           HA       GLU  42   3.852   9.333  -5.673
  326   1HB   GLU  42          2HB       GLU  42   1.637   9.634  -3.568
  327   2HB   GLU  42          1HB       GLU  42   3.180  10.442  -3.688
  328   1HG   GLU  42          2HG       GLU  42   0.881  10.860  -5.544
  329   2HG   GLU  42          1HG       GLU  42   1.484  12.002  -4.367
  330    H    VAL  43           H        VAL  43   5.017   8.693  -3.894
  331    HA   VAL  43           HA       VAL  43   4.298   6.398  -2.282
  332    HB   VAL  43           HB       VAL  43   6.545   6.239  -4.295
  333   1HG1  VAL  43          3HG1      VAL  43   6.989   5.300  -1.938
  334   2HG1  VAL  43          2HG1      VAL  43   5.724   4.148  -2.286
  335   3HG1  VAL  43          1HG1      VAL  43   7.183   4.123  -3.263
  336   1HG2  VAL  43          1HG2      VAL  43   4.295   5.699  -5.237
  337   2HG2  VAL  43          3HG2      VAL  43   5.404   4.341  -5.250
  338   3HG2  VAL  43          2HG2      VAL  43   4.198   4.406  -3.999
  339    H    ARG  44           H        ARG  44   4.949   6.951  -0.407
  340    HA   ARG  44           HA       ARG  44   7.524   8.385  -0.019
  341   1HB   ARG  44          2HB       ARG  44   5.489   9.982   0.376
  342   2HB   ARG  44          1HB       ARG  44   5.109   8.882   1.675
  343   1HG   ARG  44          2HG       ARG  44   7.390   9.060   2.547
  344   2HG   ARG  44          1HG       ARG  44   7.852  10.226   1.327
  345   1HD   ARG  44          2HD       ARG  44   7.083  11.224   3.618
  346   2HD   ARG  44          1HD       ARG  44   6.106  11.772   2.244
  347    HE   ARG  44           HE       ARG  44   5.266   9.304   3.563
  348   1HH1  ARG  44          1HH2      ARG  44   3.920  11.614   1.744
  349   2HH1  ARG  44          2HH2      ARG  44   2.727  12.164   2.876
  350   1HH2  ARG  44          1HH1      ARG  44   4.013  10.515   5.549
  351   2HH2  ARG  44          2HH1      ARG  44   2.752  11.569   4.953
  352    H    LEU  45           H        LEU  45   8.619   6.865   0.826
  353    HA   LEU  45           HA       LEU  45   7.927   5.516   3.297
  354   1HB   LEU  45          2HB       LEU  45   7.009   3.985   1.673
  355   2HB   LEU  45          1HB       LEU  45   8.476   4.125   0.659
  356    HG   LEU  45           HG       LEU  45   9.736   3.219   2.805
  357   1HD1  LEU  45          1HD1      LEU  45   6.844   2.286   3.153
  358   2HD1  LEU  45          3HD1      LEU  45   8.248   1.628   3.983
  359   3HD1  LEU  45          2HD1      LEU  45   7.751   3.312   4.288
  360   1HD2  LEU  45          1HD2      LEU  45   8.177   1.817   0.734
  361   2HD2  LEU  45          3HD2      LEU  45   9.915   1.737   1.077
  362   3HD2  LEU  45          2HD2      LEU  45   8.787   0.890   2.119
  363    H    VAL  46           H        VAL  46   9.685   6.639   4.086
  364    HA   VAL  46           HA       VAL  46  11.846   6.287   4.980
  365    HB   VAL  46           HB       VAL  46  12.719   5.610   2.203
  366   1HG1  VAL  46          2HG1      VAL  46  14.089   5.803   4.840
  367   2HG1  VAL  46          1HG1      VAL  46  14.482   4.361   3.914
  368   3HG1  VAL  46          3HG1      VAL  46  14.770   5.983   3.208
  369   1HG2  VAL  46          2HG2      VAL  46  11.205   4.037   3.974
  370   2HG2  VAL  46          1HG2      VAL  46  12.064   3.459   2.563
  371   3HG2  VAL  46          3HG2      VAL  46  12.842   3.371   4.137
  372    HA   PRO  47           HA       PRO  47  12.833  10.255   2.748
  373   1HB   PRO  47          2HB       PRO  47  11.029  12.094   3.471
  374   2HB   PRO  47          1HB       PRO  47  10.481  10.879   2.264
  375   1HG   PRO  47          2HG       PRO  47  10.090  10.860   5.302
  376   2HG   PRO  47          1HG       PRO  47   8.864  10.665   3.996
  377   1HD   PRO  47          2HD       PRO  47  10.080   8.493   5.192
  378   2HD   PRO  47          1HD       PRO  47   9.550   8.534   3.488
  379    H    GLY  48           H        GLY  48  12.890   8.894   5.638
  380   1HA   GLY  48          2HA       GLY  48  14.625   9.956   7.128
  381   2HA   GLY  48          1HA       GLY  48  13.445  11.263   7.346
  382    H    ARG  49           H        ARG  49  11.249   9.451   6.926
  383    HA   ARG  49           HA       ARG  49  10.678   8.346   9.556
  384   1HB   ARG  49          2HB       ARG  49   9.269   8.222   6.870
  385   2HB   ARG  49          1HB       ARG  49   8.595   7.634   8.390
  386   1HG   ARG  49          2HG       ARG  49   9.324  10.156   9.077
  387   2HG   ARG  49          1HG       ARG  49   8.926  10.407   7.402
  388   1HD   ARG  49          2HD       ARG  49   6.763  10.526   8.497
  389   2HD   ARG  49          1HD       ARG  49   6.892   8.924   7.854
  390    HE   ARG  49           HE       ARG  49   7.653   8.159  10.083
  391   1HH1  ARG  49          2HH1      ARG  49   7.788  11.271  10.967
  392   2HH1  ARG  49          1HH1      ARG  49   6.521  11.229  12.167
  393   1HH2  ARG  49          2HH2      ARG  49   5.301   8.194  11.287
  394   2HH2  ARG  49          1HH2      ARG  49   5.214   9.571  12.330
  395    H    HIS  50           H        HIS  50  10.357   6.693   6.518
  396    HA   HIS  50           HA       HIS  50  10.782   4.650   5.732
  397   1HB   HIS  50          2HB       HIS  50  12.559   3.369   7.539
  398   2HB   HIS  50          1HB       HIS  50  12.958   3.971   5.932
  399    HD1  HIS  50           HD1      HIS  50  14.368   4.010   8.999
  400    HD2  HIS  50           HD2      HIS  50  13.328   7.123   6.436
  401    HE1  HIS  50           HE1      HIS  50  15.792   6.007   9.669
  402    HE2  HIS  50           HE2      HIS  50  15.224   7.935   8.167
  403    H    ASP  51           H        ASP  51   9.163   5.589   8.103
  404    HA   ASP  51           HA       ASP  51   8.553   2.874   9.162
  405   1HB   ASP  51          2HB       ASP  51   7.686   3.946  11.253
  406   2HB   ASP  51          1HB       ASP  51   9.412   4.146  10.971
  407    H    ILE  52           H        ILE  52   6.974   5.631   7.684
  408    HA   ILE  52           HA       ILE  52   4.429   4.199   8.000
  409    HB   ILE  52           HB       ILE  52   3.256   6.407   7.933
  410   1HG1  ILE  52          2HG1      ILE  52   5.227   8.090   9.122
  411   2HG1  ILE  52          1HG1      ILE  52   5.859   7.368   7.608
  412   1HG2  ILE  52          2HG2      ILE  52   4.758   5.320  10.272
  413   2HG2  ILE  52          1HG2      ILE  52   4.028   6.948  10.402
  414   3HG2  ILE  52          3HG2      ILE  52   3.024   5.568  10.031
  415   1HD1  ILE  52          1HD1      ILE  52   3.065   8.301   7.517
  416   2HD1  ILE  52          3HD1      ILE  52   4.259   9.578   7.665
  417   3HD1  ILE  52          2HD1      ILE  52   4.318   8.461   6.315
  418    H    ALA  53           H        ALA  53   3.766   3.611   6.040
  419    HA   ALA  53           HA       ALA  53   5.066   4.838   3.684
  420   1HB   ALA  53          2HB       ALA  53   5.211   2.343   4.161
  421   2HB   ALA  53          1HB       ALA  53   3.493   2.305   3.643
  422   3HB   ALA  53          3HB       ALA  53   4.712   2.817   2.508
  423    H    PHE  54           H        PHE  54   3.937   6.172   2.576
  424    HA   PHE  54           HA       PHE  54   1.044   5.969   2.212
  425   1HB   PHE  54          2HB       PHE  54   2.557   8.122   3.220
  426   2HB   PHE  54          1HB       PHE  54   2.402   8.488   1.497
  427    HD1  PHE  54           HD2      PHE  54   0.326   8.837   0.462
  428    HD2  PHE  54           HD1      PHE  54   0.569   8.104   4.680
  429    HE1  PHE  54           HE2      PHE  54  -2.034   9.688   0.765
  430    HE2  PHE  54           HE1      PHE  54  -1.763   8.945   5.006
  431    HZ   PHE  54           HZ       PHE  54  -3.028   9.730   3.005
  432    H    VAL  55           H        VAL  55   0.633   4.985   0.448
  433    HA   VAL  55           HA       VAL  55   2.164   5.577  -2.084
  434    HB   VAL  55           HB       VAL  55   0.726   3.113  -1.129
  435   1HG1  VAL  55          2HG1      VAL  55   0.876   3.345  -3.601
  436   2HG1  VAL  55          1HG1      VAL  55   2.606   3.565  -3.467
  437   3HG1  VAL  55          3HG1      VAL  55   1.884   1.998  -3.000
  438   1HG2  VAL  55          3HG2      VAL  55   2.769   3.730   0.218
  439   2HG2  VAL  55          2HG2      VAL  55   2.831   2.169  -0.537
  440   3HG2  VAL  55          1HG2      VAL  55   3.691   3.521  -1.302
  441    H    GLU  56           H        GLU  56   0.945   6.824  -3.171
  442    HA   GLU  56           HA       GLU  56  -1.946   6.659  -3.420
  443   1HB   GLU  56          2HB       GLU  56   0.134   8.711  -4.249
  444   2HB   GLU  56          1HB       GLU  56  -1.462   8.742  -4.926
  445   1HG   GLU  56          2HG       GLU  56  -2.493   9.381  -3.041
  446   2HG   GLU  56          1HG       GLU  56  -1.316   8.635  -1.941
  447    H    PHE  57           H        PHE  57  -2.578   5.315  -4.943
  448    HA   PHE  57           HA       PHE  57  -1.073   4.895  -7.431
  449   1HB   PHE  57          2HB       PHE  57  -2.747   3.172  -5.614
  450   2HB   PHE  57          1HB       PHE  57  -2.886   2.845  -7.311
  451    HD1  PHE  57           HD1      PHE  57  -0.598   2.893  -8.656
  452    HD2  PHE  57           HD2      PHE  57  -0.928   2.062  -4.456
  453    HE1  PHE  57           HE1      PHE  57   1.535   1.745  -8.661
  454    HE2  PHE  57           HE2      PHE  57   1.189   0.912  -4.434
  455    HZ   PHE  57           HZ       PHE  57   2.492   0.747  -6.659
  456    H    ASP  58           H        ASP  58  -1.901   6.178  -8.892
  457    HA   ASP  58           HA       ASP  58  -3.988   7.652  -9.257
  458   1HB   ASP  58          2HB       ASP  58  -2.109   6.858 -10.873
  459   2HB   ASP  58          1HB       ASP  58  -3.434   5.931 -11.635
  460    H    ASN  59           H        ASN  59  -4.231   4.185  -9.729
  461    HA   ASN  59           HA       ASN  59  -7.177   4.445  -9.354
  462   1HB   ASN  59          2HB       ASN  59  -7.205   4.099 -11.693
  463   2HB   ASN  59          1HB       ASN  59  -5.726   3.136 -11.694
  464   1HD2  ASN  59          1HD2      ASN  59  -9.394   1.377 -11.168
  465   2HD2  ASN  59          2HD2      ASN  59  -9.240   3.067 -11.219
  466    H    GLU  60           H        GLU  60  -8.121   2.708  -8.409
  467    HA   GLU  60           HA       GLU  60  -6.524   1.329  -6.432
  468   1HB   GLU  60          2HB       GLU  60  -8.608   2.083  -5.617
  469   2HB   GLU  60          1HB       GLU  60  -9.439   1.441  -7.070
  470   1HG   GLU  60          2HG       GLU  60  -9.357  -0.725  -6.429
  471   2HG   GLU  60          1HG       GLU  60  -8.123  -0.480  -5.206
  472    H    VAL  61           H        VAL  61  -7.647   0.317  -9.632
  473    HA   VAL  61           HA       VAL  61  -7.513  -2.532  -8.936
  474    HB   VAL  61           HB       VAL  61  -7.178  -1.242 -11.679
  475   1HG1  VAL  61          2HG1      VAL  61  -6.481  -3.819 -10.836
  476   2HG1  VAL  61          1HG1      VAL  61  -8.044  -4.038 -11.638
  477   3HG1  VAL  61          3HG1      VAL  61  -6.707  -3.270 -12.484
  478   1HG2  VAL  61          2HG2      VAL  61  -9.451  -2.319 -10.049
  479   2HG2  VAL  61          1HG2      VAL  61  -9.471  -0.963 -11.223
  480   3HG2  VAL  61          3HG2      VAL  61  -9.464  -2.635 -11.787
  481    H    GLN  62           H        GLN  62  -5.561   0.022 -10.091
  482    HA   GLN  62           HA       GLN  62  -3.089  -1.552 -10.302
  483   1HB   GLN  62          2HB       GLN  62  -2.593   1.306  -9.961
  484   2HB   GLN  62          1HB       GLN  62  -2.025   0.220 -11.203
  485   1HG   GLN  62          2HG       GLN  62  -3.971   0.676 -12.555
  486   2HG   GLN  62          1HG       GLN  62  -4.788   1.377 -11.186
  487   1HE2  GLN  62          1HE2      GLN  62  -3.018   3.952 -13.447
  488   2HE2  GLN  62          2HE2      GLN  62  -3.605   2.435 -13.922
  489    H    ALA  63           H        ALA  63  -4.621   0.488  -7.833
  490    HA   ALA  63           HA       ALA  63  -2.321   0.673  -6.154
  491   1HB   ALA  63          1HB       ALA  63  -4.665   2.006  -6.150
  492   2HB   ALA  63          3HB       ALA  63  -5.134   0.682  -5.051
  493   3HB   ALA  63          2HB       ALA  63  -3.830   1.816  -4.637
  494    H    GLY  64           H        GLY  64  -5.255  -1.156  -6.412
  495   1HA   GLY  64          2HA       GLY  64  -5.038  -3.068  -4.413
  496   2HA   GLY  64          1HA       GLY  64  -5.906  -3.242  -5.983
  497    H    ALA  65           H        ALA  65  -3.702  -2.974  -7.786
  498    HA   ALA  65           HA       ALA  65  -2.811  -5.712  -7.641
  499   1HB   ALA  65          3HB       ALA  65  -3.233  -4.398  -9.777
  500   2HB   ALA  65          2HB       ALA  65  -1.728  -3.539  -9.479
  501   3HB   ALA  65          1HB       ALA  65  -1.764  -5.314  -9.686
  502    H    ALA  66           H        ALA  66  -1.001  -2.560  -7.378
  503    HA   ALA  66           HA       ALA  66   1.512  -3.636  -6.638
  504   1HB   ALA  66          2HB       ALA  66   0.056  -1.042  -6.459
  505   2HB   ALA  66          1HB       ALA  66   1.290  -1.275  -5.228
  506   3HB   ALA  66          3HB       ALA  66   1.732  -1.380  -6.949
  507    H    ARG  67           H        ARG  67  -1.267  -2.843  -4.734
  508    HA   ARG  67           HA       ARG  67  -0.120  -3.315  -2.113
  509   1HB   ARG  67          2HB       ARG  67  -2.239  -2.025  -2.652
  510   2HB   ARG  67          1HB       ARG  67  -3.010  -3.589  -2.973
  511   1HG   ARG  67          2HG       ARG  67  -1.663  -2.888  -0.378
  512   2HG   ARG  67          1HG       ARG  67  -3.368  -2.572  -0.615
  513   1HD   ARG  67          2HD       ARG  67  -2.915  -5.280  -1.500
  514   2HD   ARG  67          1HD       ARG  67  -2.168  -5.055   0.107
  515    HE   ARG  67           HE       ARG  67  -5.037  -4.741  -0.566
  516   1HH1  ARG  67          2HH1      ARG  67  -4.336  -3.007   1.635
  517   2HH1  ARG  67          1HH1      ARG  67  -4.492  -4.037   3.053
  518   1HH2  ARG  67          2HH2      ARG  67  -4.439  -6.937   1.169
  519   2HH2  ARG  67          1HH2      ARG  67  -4.541  -6.295   2.776
  520    H    ASP  68           H        ASP  68  -2.281  -5.232  -4.226
  521    HA   ASP  68           HA       ASP  68  -2.308  -7.679  -2.800
  522   1HB   ASP  68          2HB       ASP  68  -2.562  -7.044  -5.765
  523   2HB   ASP  68          1HB       ASP  68  -2.556  -8.686  -5.130
  524    H    ALA  69           H        ALA  69   0.156  -6.359  -4.822
  525    HA   ALA  69           HA       ALA  69   1.617  -8.877  -4.989
  526   1HB   ALA  69          1HB       ALA  69   1.783  -6.776  -6.607
  527   2HB   ALA  69          3HB       ALA  69   2.976  -6.190  -5.473
  528   3HB   ALA  69          2HB       ALA  69   3.192  -7.775  -6.280
  529    H    LEU  70           H        LEU  70   2.153  -5.740  -3.365
  530    HA   LEU  70           HA       LEU  70   3.684  -7.257  -1.217
  531   1HB   LEU  70          2HB       LEU  70   4.514  -5.023  -0.496
  532   2HB   LEU  70          1HB       LEU  70   5.161  -5.618  -2.038
  533    HG   LEU  70           HG       LEU  70   2.694  -3.943  -2.165
  534   1HD1  LEU  70          3HD1      LEU  70   5.226  -3.089  -0.902
  535   2HD1  LEU  70          2HD1      LEU  70   4.697  -2.079  -2.272
  536   3HD1  LEU  70          1HD1      LEU  70   3.623  -2.307  -0.905
  537   1HD2  LEU  70          3HD2      LEU  70   4.154  -4.945  -4.102
  538   2HD2  LEU  70          2HD2      LEU  70   3.741  -3.240  -4.207
  539   3HD2  LEU  70          1HD2      LEU  70   5.340  -3.720  -3.601
  540    H    GLN  71           H        GLN  71   1.347  -7.835  -0.890
  541    HA   GLN  71           HA       GLN  71  -0.322  -5.880   0.450
  542   1HB   GLN  71          2HB       GLN  71  -1.927  -7.812   0.583
  543   2HB   GLN  71          1HB       GLN  71  -1.402  -7.498  -1.060
  544   1HG   GLN  71          2HG       GLN  71  -0.137  -9.367  -1.245
  545   2HG   GLN  71          1HG       GLN  71   0.308  -9.286   0.472
  546   1HE2  GLN  71          2HE2      GLN  71  -2.932 -10.939   1.294
  547   2HE2  GLN  71          1HE2      GLN  71  -2.064  -9.540   1.791
  548    H    GLY  72           H        GLY  72   2.246  -7.182   1.510
  549   1HA   GLY  72          2HA       GLY  72   1.952  -6.825   4.242
  550   2HA   GLY  72          1HA       GLY  72   1.565  -8.542   3.987
  551    H    PHE  73           H        PHE  73   3.779  -6.347   2.426
  552    HA   PHE  73           HA       PHE  73   5.768  -8.008   1.693
  553   1HB   PHE  73          2HB       PHE  73   5.984  -5.821   0.932
  554   2HB   PHE  73          1HB       PHE  73   5.931  -5.109   2.520
  555    HD1  PHE  73           HD2      PHE  73   7.913  -8.131   1.348
  556    HD2  PHE  73           HD1      PHE  73   7.973  -4.055   2.722
  557    HE1  PHE  73           HE2      PHE  73  10.312  -8.236   1.465
  558    HE2  PHE  73           HE1      PHE  73  10.424  -4.140   2.845
  559    HZ   PHE  73           HZ       PHE  73  11.663  -6.285   2.201
  560    H    LYS  74           H        LYS  74   6.201  -9.616   3.137
  561    HA   LYS  74           HA       LYS  74   6.759  -9.467   5.941
  562   1HB   LYS  74          2HB       LYS  74   8.103 -11.605   5.397
  563   2HB   LYS  74          1HB       LYS  74   6.354 -11.630   5.028
  564   1HG   LYS  74          2HG       LYS  74   6.830 -11.950   2.791
  565   2HG   LYS  74          1HG       LYS  74   7.929 -10.574   2.850
  566   1HD   LYS  74          2HD       LYS  74   9.759 -11.897   3.518
  567   2HD   LYS  74          1HD       LYS  74   8.698 -13.295   3.836
  568   1HE   LYS  74          2HE       LYS  74  10.037 -13.258   1.625
  569   2HE   LYS  74          1HE       LYS  74   8.338 -13.758   1.611
  570   1HZ   LYS  74          2HZ       LYS  74   9.220 -10.982   1.046
  571   2HZ   LYS  74          1HZ       LYS  74   8.926 -12.120  -0.166
  572   3HZ   LYS  74          3HZ       LYS  74   7.657 -11.600   0.830
  573    H    ILE  75           H        ILE  75   8.001  -7.547   6.057
  574    HA   ILE  75           HA       ILE  75  10.471  -7.048   4.788
  575    HB   ILE  75           HB       ILE  75   9.559  -6.378   7.623
  576   1HG1  ILE  75          2HG1      ILE  75   9.158  -4.983   4.933
  577   2HG1  ILE  75          1HG1      ILE  75   7.947  -5.628   6.044
  578   1HG2  ILE  75          2HG2      ILE  75  12.052  -5.930   6.314
  579   2HG2  ILE  75          1HG2      ILE  75  11.162  -4.417   6.190
  580   3HG2  ILE  75          3HG2      ILE  75  11.532  -5.128   7.784
  581   1HD1  ILE  75          1HD1      ILE  75   8.931  -4.004   7.794
  582   2HD1  ILE  75          3HD1      ILE  75   9.706  -3.205   6.433
  583   3HD1  ILE  75          2HD1      ILE  75   7.925  -3.366   6.509
  584    H    THR  76           H        THR  76   9.562  -9.163   7.348
  585    HA   THR  76           HA       THR  76  12.404 -10.193   7.376
  586    HB   THR  76           HB       THR  76  10.586 -10.047   9.781
  587    HG1  THR  76          1HG       THR  76  12.703  -8.283   8.965
  588   1HG2  THR  76          2HG2      THR  76  13.175 -11.207   9.177
  589   2HG2  THR  76          1HG2      THR  76  13.283 -10.243  10.620
  590   3HG2  THR  76          3HG2      THR  76  12.120 -11.589  10.521
  591    H    GLN  77           H        GLN  77   9.257 -10.968   8.602
  592    HA   GLN  77           HA       GLN  77   8.546 -13.277   7.196
  593   1HB   GLN  77          2HB       GLN  77  10.723 -14.341   8.189
  594   2HB   GLN  77          1HB       GLN  77  10.069 -13.947   9.764
  595   1HG   GLN  77          2HG       GLN  77   8.423 -15.520   7.799
  596   2HG   GLN  77          1HG       GLN  77   9.814 -16.281   8.605
  597   1HE2  GLN  77          1HE2      GLN  77   6.285 -15.818  10.519
  598   2HE2  GLN  77          2HE2      GLN  77   6.438 -15.532   8.846
  599    H    ASN  78           H        ASN  78   8.967 -12.039  10.399
  600    HA   ASN  78           HA       ASN  78   6.146 -12.540  11.074
  601   1HB   ASN  78          2HB       ASN  78   6.961 -11.836  13.411
  602   2HB   ASN  78          1HB       ASN  78   7.595 -13.399  12.809
  603   1HD2  ASN  78          1HD2      ASN  78  10.919 -12.021  12.335
  604   2HD2  ASN  78          2HD2      ASN  78   9.890 -13.266  11.748
  605    H    ASN  79           H        ASN  79   8.607 -10.168  10.502
  606    HA   ASN  79           HA       ASN  79   6.912  -7.855  11.144
  607   1HB   ASN  79          2HB       ASN  79   9.730  -8.434  10.450
  608   2HB   ASN  79          1HB       ASN  79   9.120  -6.853   9.896
  609   1HD2  ASN  79          2HD2      ASN  79  10.041  -7.315  13.781
  610   2HD2  ASN  79          1HD2      ASN  79  10.293  -8.587  12.658
  611    H    ALA  80           H        ALA  80   5.318  -7.541   9.604
  612    HA   ALA  80           HA       ALA  80   6.163  -7.682   6.767
  613   1HB   ALA  80          3HB       ALA  80   4.777  -9.643   7.385
  614   2HB   ALA  80          2HB       ALA  80   3.494  -8.561   7.926
  615   3HB   ALA  80          1HB       ALA  80   3.951  -8.675   6.205
  616    H    MET  81           H        MET  81   5.709  -5.788   5.758
  617    HA   MET  81           HA       MET  81   4.850  -3.407   6.956
  618   1HB   MET  81          2HB       MET  81   5.726  -2.917   5.026
  619   2HB   MET  81          1HB       MET  81   5.252  -4.410   4.231
  620   1HG   MET  81          2HG       MET  81   2.990  -3.620   3.870
  621   2HG   MET  81          1HG       MET  81   3.316  -2.119   4.718
  622   1HE   MET  81          1HE       MET  81   2.698  -3.700   1.959
  623   2HE   MET  81          3HE       MET  81   2.796  -2.371   0.818
  624   3HE   MET  81          2HE       MET  81   4.008  -3.630   0.796
  625    H    LYS  82           H        LYS  82   2.771  -2.281   7.142
  626    HA   LYS  82           HA       LYS  82   0.388  -3.775   6.196
  627   1HB   LYS  82          2HB       LYS  82   0.828  -2.577   8.953
  628   2HB   LYS  82          1HB       LYS  82  -0.757  -3.081   8.304
  629   1HG   LYS  82          2HG       LYS  82   0.006  -5.308   8.044
  630   2HG   LYS  82          1HG       LYS  82   1.646  -4.887   8.465
  631   1HD   LYS  82          2HD       LYS  82   0.506  -5.900  10.354
  632   2HD   LYS  82          1HD       LYS  82   1.063  -4.287  10.725
  633   1HE   LYS  82          2HE       LYS  82  -1.093  -3.439  10.852
  634   2HE   LYS  82          1HE       LYS  82  -1.638  -4.484   9.503
  635   1HZ   LYS  82          1HZ       LYS  82  -0.826  -5.613  12.089
  636   2HZ   LYS  82          3HZ       LYS  82  -2.392  -4.898  12.006
  637   3HZ   LYS  82          2HZ       LYS  82  -1.998  -6.209  11.014
  638    H    ILE  83           H        ILE  83  -0.578  -2.671   4.857
  639    HA   ILE  83           HA       ILE  83  -0.432   0.261   4.432
  640    HB   ILE  83           HB       ILE  83  -0.103  -2.122   2.669
  641   1HG1  ILE  83          2HG1      ILE  83   1.018   0.676   2.937
  642   2HG1  ILE  83          1HG1      ILE  83   1.861  -0.883   3.145
  643   1HG2  ILE  83          1HG2      ILE  83  -1.327   0.478   1.808
  644   2HG2  ILE  83          3HG2      ILE  83  -0.783  -0.786   0.695
  645   3HG2  ILE  83          2HG2      ILE  83  -2.122  -1.095   1.836
  646   1HD1  ILE  83          2HD1      ILE  83   1.119  -1.195   0.599
  647   2HD1  ILE  83          1HD1      ILE  83   1.234   0.581   0.622
  648   3HD1  ILE  83          3HD1      ILE  83   2.619  -0.404   1.015
  649    H    SER  84           H        SER  84  -2.336   1.134   4.713
  650    HA   SER  84           HA       SER  84  -4.805  -0.438   4.699
  651   1HB   SER  84          2HB       SER  84  -4.496   0.118   6.909
  652   2HB   SER  84          1HB       SER  84  -4.019   1.802   6.588
  653    HG   SER  84           HG       SER  84  -6.048   2.053   6.976
  654    H    PHE  85           H        PHE  85  -5.759   0.142   2.790
  655    HA   PHE  85           HA       PHE  85  -5.539   2.194   1.126
  656   1HB   PHE  85          2HB       PHE  85  -8.226   1.270   2.154
  657   2HB   PHE  85          1HB       PHE  85  -7.856   1.881   0.522
  658    HD1  PHE  85           HD2      PHE  85  -7.584  -1.048   2.766
  659    HD2  PHE  85           HD1      PHE  85  -6.851   0.538  -1.150
  660    HE1  PHE  85           HE2      PHE  85  -7.170  -3.349   1.940
  661    HE2  PHE  85           HE1      PHE  85  -6.427  -1.739  -1.997
  662    HZ   PHE  85           HZ       PHE  85  -6.588  -3.667  -0.455
  663    H    ALA  86           H        ALA  86  -6.738   4.318   0.874
  664    HA   ALA  86           HA       ALA  86  -7.007   5.751   3.368
  665   1HB   ALA  86          1HB       ALA  86  -7.121   6.352   0.456
  666   2HB   ALA  86          3HB       ALA  86  -7.719   7.573   1.583
  667   3HB   ALA  86          2HB       ALA  86  -6.045   6.951   1.680
  668    H    LYS  87           H        LYS  87  -9.311   6.488   0.814
  669    HA   LYS  87           HA       LYS  87 -11.558   4.994   1.472
  670   1HB   LYS  87          2HB       LYS  87 -12.690   7.109   2.623
  671   2HB   LYS  87          1HB       LYS  87 -11.996   5.765   3.548
  672   1HG   LYS  87          2HG       LYS  87 -10.242   7.025   4.347
  673   2HG   LYS  87          1HG       LYS  87 -10.058   7.932   2.848
  674   1HD   LYS  87          2HD       LYS  87 -10.702   9.465   4.482
  675   2HD   LYS  87          1HD       LYS  87 -12.079   9.278   3.432
  676   1HE   LYS  87          2HE       LYS  87 -12.424   7.255   5.355
  677   2HE   LYS  87          1HE       LYS  87 -11.802   8.608   6.299
  678   1HZ   LYS  87          1HZ       LYS  87 -13.495  10.021   5.205
  679   2HZ   LYS  87          3HZ       LYS  87 -14.134   8.629   4.473
  680   3HZ   LYS  87          2HZ       LYS  87 -14.190   8.774   6.150
  681    H    LYS  88           H        LYS  88 -10.737   8.469   1.133
  682    HA   LYS  88           HA       LYS  88 -11.365   9.981  -0.504
  683   1HB   LYS  88          2HB       LYS  88 -10.315   7.982  -1.806
  684   2HB   LYS  88          1HB       LYS  88 -11.927   7.583  -2.304
  685   1HG   LYS  88          2HG       LYS  88 -11.130   9.036  -4.070
  686   2HG   LYS  88          1HG       LYS  88 -12.042  10.138  -3.089
  687   1HD   LYS  88          2HD       LYS  88  -9.986  10.932  -2.016
  688   2HD   LYS  88          1HD       LYS  88  -9.114   9.535  -2.602
  689   1HE   LYS  88          2HE       LYS  88 -10.355  11.266  -4.657
  690   2HE   LYS  88          1HE       LYS  88  -8.904  11.844  -3.902
  691   1HZ   LYS  88          3HZ       LYS  88  -8.516   9.131  -4.476
  692   2HZ   LYS  88          2HZ       LYS  88  -9.206   9.840  -5.840
  693   3HZ   LYS  88          1HZ       LYS  88  -7.733  10.446  -5.208
   
  No H/Q in entry =         693
  Start of MODEL   12
    1   1H    MET   1          2H        MET   1 -17.380   1.399   8.619
    2   2H    MET   1          1H        MET   1 -15.946   2.193   8.186
    3   3H    MET   1          3H        MET   1 -17.416   2.624   7.433
    4    HA   MET   1           HA       MET   1 -16.448   1.380   5.833
    5   1HB   MET   1          2HB       MET   1 -14.907   0.472   7.900
    6   2HB   MET   1          1HB       MET   1 -15.793  -0.981   7.458
    7   1HG   MET   1          2HG       MET   1 -14.907  -1.076   5.298
    8   2HG   MET   1          1HG       MET   1 -14.491   0.660   5.329
    9   1HE   MET   1          1HE       MET   1 -13.541  -2.927   6.067
   10   2HE   MET   1          3HE       MET   1 -12.243  -2.841   7.244
   11   3HE   MET   1          2HE       MET   1 -13.865  -2.450   7.746
   12    H    ALA   2           H        ALA   2 -16.861  -1.489   5.775
   13    HA   ALA   2           HA       ALA   2 -19.845  -1.556   6.111
   14   1HB   ALA   2          1HB       ALA   2 -18.068  -2.908   4.062
   15   2HB   ALA   2          3HB       ALA   2 -19.773  -3.202   4.212
   16   3HB   ALA   2          2HB       ALA   2 -19.194  -1.579   3.804
   17    HA   PRO   3           HA       PRO   3 -18.342  -5.182   8.568
   18   1HB   PRO   3          2HB       PRO   3 -19.451  -4.553  10.870
   19   2HB   PRO   3          1HB       PRO   3 -18.275  -3.374  10.226
   20   1HG   PRO   3          2HG       PRO   3 -21.354  -3.338  10.017
   21   2HG   PRO   3          1HG       PRO   3 -20.318  -2.056  10.617
   22   1HD   PRO   3          2HD       PRO   3 -21.072  -2.252   7.936
   23   2HD   PRO   3          1HD       PRO   3 -19.599  -1.410   8.500
   24    H    ALA   4           H        ALA   4 -19.532  -6.808   9.848
   25    HA   ALA   4           HA       ALA   4 -21.164  -8.512   9.881
   26   1HB   ALA   4          3HB       ALA   4 -22.852  -5.982   9.918
   27   2HB   ALA   4          2HB       ALA   4 -23.555  -7.578  10.055
   28   3HB   ALA   4          1HB       ALA   4 -22.396  -6.973  11.275
   29    H    GLN   5           H        GLN   5 -23.434  -6.544   7.970
   30    HA   GLN   5           HA       GLN   5 -22.728  -7.508   5.416
   31   1HB   GLN   5          2HB       GLN   5 -24.696  -9.231   5.333
   32   2HB   GLN   5          1HB       GLN   5 -23.184  -9.729   6.049
   33   1HG   GLN   5          2HG       GLN   5 -23.994  -9.794   8.203
   34   2HG   GLN   5          1HG       GLN   5 -25.117  -8.452   7.889
   35   1HE2  GLN   5          2HE2      GLN   5 -26.443 -11.933   6.228
   36   2HE2  GLN   5          1HE2      GLN   5 -24.862 -11.363   5.870
   37    HA   PRO   6           HA       PRO   6 -24.053  -8.233   3.694
   38   1HB   PRO   6          2HB       PRO   6 -25.250  -6.980   1.453
   39   2HB   PRO   6          1HB       PRO   6 -25.894  -8.409   2.254
   40   1HG   PRO   6          2HG       PRO   6 -27.192  -5.950   2.163
   41   2HG   PRO   6          1HG       PRO   6 -27.508  -7.218   3.383
   42   1HD   PRO   6          2HD       PRO   6 -25.795  -4.763   3.678
   43   2HD   PRO   6          1HD       PRO   6 -26.820  -5.585   4.914
   44    H    LEU   7           H        LEU   7 -23.411  -7.333   1.036
   45    HA   LEU   7           HA       LEU   7 -20.984  -5.872   1.450
   46   1HB   LEU   7          2HB       LEU   7 -22.695  -6.361  -1.031
   47   2HB   LEU   7          1HB       LEU   7 -21.141  -5.559  -1.115
   48    HG   LEU   7           HG       LEU   7 -21.288  -8.131   0.405
   49   1HD1  LEU   7          1HD1      LEU   7 -22.564  -8.394  -1.774
   50   2HD1  LEU   7          3HD1      LEU   7 -21.066  -8.125  -2.647
   51   3HD1  LEU   7          2HD1      LEU   7 -21.222  -9.517  -1.586
   52   1HD2  LEU   7          3HD2      LEU   7 -19.347  -6.645  -1.410
   53   2HD2  LEU   7          2HD2      LEU   7 -19.166  -7.055   0.307
   54   3HD2  LEU   7          1HD2      LEU   7 -19.049  -8.314  -0.941
   55    H    SER   8           H        SER   8 -20.559  -3.490   1.019
   56    HA   SER   8           HA       SER   8 -22.994  -1.894   0.514
   57   1HB   SER   8          2HB       SER   8 -21.224  -1.637   2.932
   58   2HB   SER   8          1HB       SER   8 -22.437  -0.438   2.487
   59    HG   SER   8           HG       SER   8 -23.419  -1.778   3.899
   60    H    GLU   9           H        GLU   9 -19.646  -1.080   1.636
   61    HA   GLU   9           HA       GLU   9 -19.324   0.314  -0.985
   62   1HB   GLU   9          2HB       GLU   9 -18.664   1.482   1.747
   63   2HB   GLU   9          1HB       GLU   9 -18.402   2.204   0.174
   64   1HG   GLU   9          2HG       GLU   9 -20.970   1.683  -0.205
   65   2HG   GLU   9          1HG       GLU   9 -20.981   1.552   1.556
   66    H    ASN  10           H        ASN  10 -16.686   1.335   0.368
   67    HA   ASN  10           HA       ASN  10 -14.448   0.616   0.340
   68   1HB   ASN  10          2HB       ASN  10 -15.331  -0.874   2.259
   69   2HB   ASN  10          1HB       ASN  10 -15.500  -2.116   1.042
   70   1HD2  ASN  10          2HD2      ASN  10 -11.761  -0.741   2.225
   71   2HD2  ASN  10          1HD2      ASN  10 -13.174   0.162   2.517
   72    HA   PRO  11           HA       PRO  11 -15.118  -1.091  -3.855
   73   1HB   PRO  11          2HB       PRO  11 -13.376   1.212  -4.394
   74   2HB   PRO  11          1HB       PRO  11 -14.874   0.776  -5.174
   75   1HG   PRO  11          2HG       PRO  11 -14.891   2.961  -3.567
   76   2HG   PRO  11          1HG       PRO  11 -16.245   1.798  -3.467
   77   1HD   PRO  11          2HD       PRO  11 -13.754   1.898  -1.690
   78   2HD   PRO  11          1HD       PRO  11 -15.447   1.797  -1.194
   79    HA   PRO  12           HA       PRO  12 -11.110  -2.831  -4.442
   80   1HB   PRO  12          2HB       PRO  12 -10.362  -1.454  -6.945
   81   2HB   PRO  12          1HB       PRO  12 -10.848  -3.157  -6.673
   82   1HG   PRO  12          2HG       PRO  12 -12.418  -1.241  -7.944
   83   2HG   PRO  12          1HG       PRO  12 -13.035  -2.679  -7.059
   84   1HD   PRO  12          2HD       PRO  12 -12.952   0.187  -6.106
   85   2HD   PRO  12          1HD       PRO  12 -14.187  -1.092  -5.822
   86    H    ASN  13           H        ASN  13 -11.383   0.504  -4.340
   87    HA   ASN  13           HA       ASN  13 -10.243   2.148  -3.312
   88   1HB   ASN  13          2HB       ASN  13  -8.046   0.118  -2.753
   89   2HB   ASN  13          1HB       ASN  13  -8.297   1.627  -1.944
   90   1HD2  ASN  13          2HD2      ASN  13 -10.577  -1.608  -1.013
   91   2HD2  ASN  13          1HD2      ASN  13  -9.458  -1.732  -2.289
   92    H    HIS  14           H        HIS  14  -7.057   1.682  -3.592
   93    HA   HIS  14           HA       HIS  14  -5.805   1.874  -5.820
   94   1HB   HIS  14          2HB       HIS  14  -5.973   4.209  -6.711
   95   2HB   HIS  14          1HB       HIS  14  -7.364   3.267  -7.133
   96    HD1  HIS  14           HD1      HIS  14  -7.981   4.025  -3.663
   97    HD2  HIS  14           HD2      HIS  14  -7.935   6.404  -7.069
   98    HE1  HIS  14           HE1      HIS  14  -9.231   6.116  -3.107
   99    HE2  HIS  14           HE2      HIS  14  -9.261   7.617  -5.118
  100    H    ILE  15           H        ILE  15  -6.474   3.288  -2.756
  101    HA   ILE  15           HA       ILE  15  -3.844   4.657  -2.640
  102    HB   ILE  15           HB       ILE  15  -6.453   5.748  -1.684
  103   1HG1  ILE  15          2HG1      ILE  15  -3.841   6.764  -2.747
  104   2HG1  ILE  15          1HG1      ILE  15  -5.350   6.641  -3.634
  105   1HG2  ILE  15          1HG2      ILE  15  -3.765   5.793  -0.281
  106   2HG2  ILE  15          3HG2      ILE  15  -4.950   7.041   0.011
  107   3HG2  ILE  15          2HG2      ILE  15  -5.305   5.390   0.460
  108   1HD1  ILE  15          3HD1      ILE  15  -5.776   8.212  -1.239
  109   2HD1  ILE  15          2HD1      ILE  15  -4.414   8.906  -2.137
  110   3HD1  ILE  15          1HD1      ILE  15  -5.962   8.677  -2.925
  111    H    LEU  16           H        LEU  16  -2.606   3.321  -1.365
  112    HA   LEU  16           HA       LEU  16  -3.960   1.851   0.814
  113   1HB   LEU  16          2HB       LEU  16  -1.378   1.017  -0.637
  114   2HB   LEU  16          1HB       LEU  16  -2.447   0.034   0.409
  115    HG   LEU  16           HG       LEU  16  -4.187   0.863  -1.450
  116   1HD1  LEU  16          2HD1      LEU  16  -1.604   1.520  -2.501
  117   2HD1  LEU  16          1HD1      LEU  16  -2.217   0.140  -3.444
  118   3HD1  LEU  16          3HD1      LEU  16  -3.172   1.585  -3.322
  119   1HD2  LEU  16          2HD2      LEU  16  -2.286  -1.486  -1.519
  120   2HD2  LEU  16          1HD2      LEU  16  -3.868  -1.394  -0.705
  121   3HD2  LEU  16          3HD2      LEU  16  -3.797  -1.407  -2.465
  122    H    PHE  17           H        PHE  17  -3.584   2.671   2.616
  123    HA   PHE  17           HA       PHE  17  -1.076   3.998   3.307
  124   1HB   PHE  17          2HB       PHE  17  -2.672   5.760   3.500
  125   2HB   PHE  17          1HB       PHE  17  -3.880   4.592   4.119
  126    HD1  PHE  17           HD2      PHE  17  -0.291   5.339   5.092
  127    HD2  PHE  17           HD1      PHE  17  -4.393   4.930   6.455
  128    HE1  PHE  17           HE2      PHE  17   0.386   5.666   7.404
  129    HE2  PHE  17           HE1      PHE  17  -3.626   5.266   8.748
  130    HZ   PHE  17           HZ       PHE  17  -1.273   5.636   9.270
  131    H    LEU  18           H        LEU  18  -0.072   3.207   4.939
  132    HA   LEU  18           HA       LEU  18  -1.078   2.131   7.221
  133   1HB   LEU  18          2HB       LEU  18  -2.169   0.405   5.991
  134   2HB   LEU  18          1HB       LEU  18  -0.687  -0.331   5.551
  135    HG   LEU  18           HG       LEU  18  -0.485  -1.126   7.822
  136   1HD1  LEU  18          2HD1      LEU  18  -0.621   1.247   8.844
  137   2HD1  LEU  18          1HD1      LEU  18  -2.396   1.063   8.674
  138   3HD1  LEU  18          3HD1      LEU  18  -1.506   0.015   9.738
  139   1HD2  LEU  18          2HD2      LEU  18  -2.614  -1.690   6.633
  140   2HD2  LEU  18          1HD2      LEU  18  -2.472  -2.020   8.367
  141   3HD2  LEU  18          3HD2      LEU  18  -3.426  -0.636   7.773
  142    H    THR  19           H        THR  19   0.810   0.263   7.776
  143    HA   THR  19           HA       THR  19   3.325   1.693   7.421
  144    HB   THR  19           HB       THR  19   2.596   3.135   9.173
  145    HG1  THR  19          1HG       THR  19   3.362   2.049  11.199
  146   1HG2  THR  19          2HG2      THR  19   0.985   0.790   9.981
  147   2HG2  THR  19          1HG2      THR  19   1.416   1.909  11.253
  148   3HG2  THR  19          3HG2      THR  19   0.460   2.478   9.884
  149    H    ASN  20           H        ASN  20   4.738   0.632   9.142
  150    HA   ASN  20           HA       ASN  20   5.322  -1.130  10.452
  151   1HB   ASN  20          2HB       ASN  20   3.182  -2.333  10.208
  152   2HB   ASN  20          1HB       ASN  20   3.735  -3.073   8.714
  153   1HD2  ASN  20          1HD2      ASN  20   6.019  -5.256  10.529
  154   2HD2  ASN  20          2HD2      ASN  20   5.797  -4.544   9.017
  155    H    LEU  21           H        LEU  21   6.517   0.365   8.538
  156    HA   LEU  21           HA       LEU  21   8.153  -1.530   6.945
  157   1HB   LEU  21          2HB       LEU  21   7.515   1.426   6.583
  158   2HB   LEU  21          1HB       LEU  21   8.428   0.367   5.477
  159    HG   LEU  21           HG       LEU  21   6.361  -0.983   5.108
  160   1HD1  LEU  21          3HD1      LEU  21   5.257   0.888   7.157
  161   2HD1  LEU  21          2HD1      LEU  21   4.231   0.536   5.785
  162   3HD1  LEU  21          1HD1      LEU  21   4.806  -0.765   6.785
  163   1HD2  LEU  21          2HD2      LEU  21   6.590   1.910   4.438
  164   2HD2  LEU  21          1HD2      LEU  21   6.370   0.502   3.351
  165   3HD2  LEU  21          3HD2      LEU  21   5.032   1.184   4.211
  166    HA   PRO  22           HA       PRO  22  10.161  -0.339  11.110
  167   1HB   PRO  22          2HB       PRO  22  11.770  -2.108   9.263
  168   2HB   PRO  22          1HB       PRO  22  11.935  -1.950  11.036
  169   1HG   PRO  22          2HG       PRO  22  10.178  -3.805   9.863
  170   2HG   PRO  22          1HG       PRO  22   9.727  -2.984  11.364
  171   1HD   PRO  22          2HD       PRO  22   8.763  -2.640   8.664
  172   2HD   PRO  22          1HD       PRO  22   8.078  -1.875  10.146
  173    H    GLU  23           H        GLU  23  13.128  -0.621   9.528
  174    HA   GLU  23           HA       GLU  23  13.361   2.308   8.960
  175   1HB   GLU  23          2HB       GLU  23  15.538   2.227  10.138
  176   2HB   GLU  23          1HB       GLU  23  14.193   1.961  11.201
  177   1HG   GLU  23          2HG       GLU  23  14.802  -0.103  11.743
  178   2HG   GLU  23          1HG       GLU  23  15.146  -0.560  10.085
  179    H    GLU  24           H        GLU  24  13.777  -0.900   7.771
  180    HA   GLU  24           HA       GLU  24  16.251  -0.259   6.333
  181   1HB   GLU  24          2HB       GLU  24  14.806  -2.680   7.131
  182   2HB   GLU  24          1HB       GLU  24  15.293  -2.734   5.441
  183   1HG   GLU  24          2HG       GLU  24  17.668  -2.438   6.052
  184   2HG   GLU  24          1HG       GLU  24  17.227  -2.206   7.747
  185    H    THR  25           H        THR  25  13.190   0.510   6.103
  186    HA   THR  25           HA       THR  25  12.644  -0.042   3.240
  187    HB   THR  25           HB       THR  25  10.450   1.069   3.884
  188    HG1  THR  25          1HG       THR  25  11.404   2.427   5.490
  189   1HG2  THR  25          3HG2      THR  25  11.507  -1.393   5.005
  190   2HG2  THR  25          2HG2      THR  25  10.314  -0.689   6.082
  191   3HG2  THR  25          1HG2      THR  25   9.863  -1.074   4.435
  192    H    ASN  26           H        ASN  26  11.898   1.956   1.956
  193    HA   ASN  26           HA       ASN  26  12.567   4.545   3.015
  194   1HB   ASN  26          2HB       ASN  26  14.608   5.126   2.042
  195   2HB   ASN  26          1HB       ASN  26  14.879   3.455   2.543
  196   1HD2  ASN  26          2HD2      ASN  26  15.741   2.499  -0.696
  197   2HD2  ASN  26          1HD2      ASN  26  15.834   2.137   0.938
  198    H    GLU  27           H        GLU  27  12.554   6.264   1.270
  199    HA   GLU  27           HA       GLU  27  10.063   6.121  -0.109
  200   1HB   GLU  27          2HB       GLU  27  10.804   8.326   0.393
  201   2HB   GLU  27          1HB       GLU  27  12.267   8.125  -0.609
  202   1HG   GLU  27          2HG       GLU  27  10.784   7.903  -2.583
  203   2HG   GLU  27          1HG       GLU  27   9.370   7.933  -1.508
  204    H    LEU  28           H        LEU  28  13.436   5.890  -1.519
  205    HA   LEU  28           HA       LEU  28  12.532   5.827  -4.210
  206   1HB   LEU  28          2HB       LEU  28  14.728   6.031  -4.691
  207   2HB   LEU  28          1HB       LEU  28  14.903   6.251  -2.951
  208    HG   LEU  28           HG       LEU  28  15.088   3.680  -2.764
  209   1HD1  LEU  28          3HD1      LEU  28  14.892   4.061  -5.651
  210   2HD1  LEU  28          2HD1      LEU  28  16.466   3.427  -5.265
  211   3HD1  LEU  28          1HD1      LEU  28  15.015   2.545  -4.752
  212   1HD2  LEU  28          3HD2      LEU  28  17.160   5.509  -3.928
  213   2HD2  LEU  28          2HD2      LEU  28  16.835   5.186  -2.215
  214   3HD2  LEU  28          1HD2      LEU  28  17.567   3.949  -3.255
  215    H    MET  29           H        MET  29  12.952   3.623  -1.609
  216    HA   MET  29           HA       MET  29  13.213   1.163  -2.991
  217   1HB   MET  29          2HB       MET  29  13.610   1.780  -0.534
  218   2HB   MET  29          1HB       MET  29  11.902   1.587  -0.253
  219   1HG   MET  29          2HG       MET  29  12.402  -0.711  -0.015
  220   2HG   MET  29          1HG       MET  29  12.750  -0.664  -1.755
  221   1HE   MET  29          3HE       MET  29  14.533  -0.745  -2.928
  222   2HE   MET  29          2HE       MET  29  15.202   0.833  -2.471
  223   3HE   MET  29          1HE       MET  29  16.230  -0.575  -2.456
  224    H    LEU  30           H        LEU  30  10.558   2.601  -1.179
  225    HA   LEU  30           HA       LEU  30   8.548   0.836  -2.323
  226   1HB   LEU  30          2HB       LEU  30   8.376   3.365  -0.668
  227   2HB   LEU  30          1HB       LEU  30   6.947   2.496  -1.212
  228    HG   LEU  30           HG       LEU  30   9.145   1.626   0.696
  229   1HD1  LEU  30          1HD1      LEU  30   6.671   2.771   1.118
  230   2HD1  LEU  30          3HD1      LEU  30   6.378   1.047   1.448
  231   3HD1  LEU  30          2HD1      LEU  30   7.604   1.903   2.325
  232   1HD2  LEU  30          3HD2      LEU  30   7.038  -0.177  -0.566
  233   2HD2  LEU  30          2HD2      LEU  30   8.770  -0.367  -0.720
  234   3HD2  LEU  30          1HD2      LEU  30   8.009  -0.624   0.826
  235    H    SER  31           H        SER  31  10.011   3.817  -3.231
  236    HA   SER  31           HA       SER  31   8.156   5.088  -4.958
  237   1HB   SER  31          2HB       SER  31  10.129   6.341  -4.524
  238   2HB   SER  31          1HB       SER  31  11.118   4.945  -5.055
  239    HG   SER  31           HG       SER  31  10.866   6.562  -6.613
  240    H    MET  32           H        MET  32  10.825   2.879  -5.457
  241    HA   MET  32           HA       MET  32  10.384   2.446  -8.296
  242   1HB   MET  32          2HB       MET  32  12.105   1.441  -6.088
  243   2HB   MET  32          1HB       MET  32  12.104   0.511  -7.578
  244   1HG   MET  32          2HG       MET  32  13.852   2.392  -7.352
  245   2HG   MET  32          1HG       MET  32  12.916   2.307  -8.885
  246   1HE   MET  32          2HE       MET  32  13.193   3.919  -9.852
  247   2HE   MET  32          1HE       MET  32  11.907   5.146  -9.770
  248   3HE   MET  32          3HE       MET  32  13.520   5.538  -9.215
  249    H    LEU  33           H        LEU  33   9.586   0.681  -5.299
  250    HA   LEU  33           HA       LEU  33   8.875  -1.788  -6.578
  251   1HB   LEU  33          2HB       LEU  33   8.774  -0.580  -3.829
  252   2HB   LEU  33          1HB       LEU  33   7.443  -1.667  -4.238
  253    HG   LEU  33           HG       LEU  33  10.380  -2.283  -4.727
  254   1HD1  LEU  33          3HD1      LEU  33   8.698  -3.013  -2.335
  255   2HD1  LEU  33          2HD1      LEU  33  10.320  -3.689  -2.650
  256   3HD1  LEU  33          1HD1      LEU  33  10.116  -1.954  -2.371
  257   1HD2  LEU  33          3HD2      LEU  33   8.499  -3.569  -5.969
  258   2HD2  LEU  33          2HD2      LEU  33   9.787  -4.445  -5.190
  259   3HD2  LEU  33          1HD2      LEU  33   8.195  -4.314  -4.399
  260    H    PHE  34           H        PHE  34   7.448   1.192  -5.609
  261    HA   PHE  34           HA       PHE  34   4.751   0.270  -6.342
  262   1HB   PHE  34          2HB       PHE  34   5.691   3.037  -5.408
  263   2HB   PHE  34          1HB       PHE  34   4.032   2.687  -5.971
  264    HD1  PHE  34           HD1      PHE  34   3.524  -0.090  -4.930
  265    HD2  PHE  34           HD2      PHE  34   5.428   3.297  -3.110
  266    HE1  PHE  34           HE1      PHE  34   2.947  -0.929  -2.707
  267    HE2  PHE  34           HE2      PHE  34   4.855   2.453  -0.884
  268    HZ   PHE  34           HZ       PHE  34   3.566   0.238  -0.708
  269    H    ASN  35           H        ASN  35   7.412   1.921  -7.671
  270    HA   ASN  35           HA       ASN  35   6.292   3.033 -10.050
  271   1HB   ASN  35          2HB       ASN  35   8.669   3.554  -9.327
  272   2HB   ASN  35          1HB       ASN  35   9.098   1.878  -9.706
  273   1HD2  ASN  35          2HD2      ASN  35   7.908   3.958 -13.001
  274   2HD2  ASN  35          1HD2      ASN  35   6.926   4.088 -11.630
  275    H    GLN  36           H        GLN  36   7.511  -0.144  -9.255
  276    HA   GLN  36           HA       GLN  36   7.767  -1.556 -11.596
  277   1HB   GLN  36          2HB       GLN  36   6.485  -2.154  -8.994
  278   2HB   GLN  36          1HB       GLN  36   6.170  -3.266 -10.291
  279   1HG   GLN  36          2HG       GLN  36   8.921  -2.802 -10.437
  280   2HG   GLN  36          1HG       GLN  36   8.601  -2.925  -8.681
  281   1HE2  GLN  36          2HE2      GLN  36   8.907  -6.433  -9.098
  282   2HE2  GLN  36          1HE2      GLN  36   9.601  -5.030  -8.414
  283    H    PHE  37           H        PHE  37   4.789  -0.202 -10.371
  284    HA   PHE  37           HA       PHE  37   3.053  -1.474 -12.303
  285   1HB   PHE  37          2HB       PHE  37   2.559   0.188  -9.869
  286   2HB   PHE  37          1HB       PHE  37   1.267  -0.577 -10.772
  287    HD1  PHE  37           HD2      PHE  37   1.276  -3.130 -10.970
  288    HD2  PHE  37           HD1      PHE  37   4.148  -1.009  -8.537
  289    HE1  PHE  37           HE2      PHE  37   1.908  -5.252  -9.852
  290    HE2  PHE  37           HE1      PHE  37   4.740  -3.165  -7.444
  291    HZ   PHE  37           HZ       PHE  37   3.613  -5.268  -8.117
  292    HA   PRO  38           HA       PRO  38   3.430   1.867 -15.368
  293   1HB   PRO  38          2HB       PRO  38   0.630   1.442 -15.964
  294   2HB   PRO  38          1HB       PRO  38   2.089   1.034 -16.934
  295   1HG   PRO  38          2HG       PRO  38   0.593  -0.756 -15.051
  296   2HG   PRO  38          1HG       PRO  38   1.611  -1.141 -16.469
  297   1HD   PRO  38          2HD       PRO  38   2.572  -1.608 -14.109
  298   2HD   PRO  38          1HD       PRO  38   3.599  -0.773 -15.307
  299    H    GLY  39           H        GLY  39   0.800   1.553 -13.015
  300   1HA   GLY  39          2HA       GLY  39  -0.406   4.080 -13.454
  301   2HA   GLY  39          1HA       GLY  39  -0.548   3.115 -11.954
  302    H    PHE  40           H        PHE  40   1.857   2.993 -10.966
  303    HA   PHE  40           HA       PHE  40   2.899   4.247  -9.261
  304   1HB   PHE  40          2HB       PHE  40   4.577   3.654 -10.909
  305   2HB   PHE  40          1HB       PHE  40   3.987   4.875 -12.004
  306    HD1  PHE  40           HD1      PHE  40   4.499   5.322  -8.397
  307    HD2  PHE  40           HD2      PHE  40   6.141   6.151 -12.298
  308    HE1  PHE  40           HE1      PHE  40   6.160   6.954  -7.420
  309    HE2  PHE  40           HE2      PHE  40   7.760   7.747 -11.284
  310    HZ   PHE  40           HZ       PHE  40   7.767   8.140  -8.884
  311    H    LYS  41           H        LYS  41   1.219   5.679  -8.534
  312    HA   LYS  41           HA       LYS  41   1.237   8.387  -9.783
  313   1HB   LYS  41          2HB       LYS  41  -0.797   6.795  -8.674
  314   2HB   LYS  41          1HB       LYS  41  -0.600   8.129  -7.589
  315   1HG   LYS  41          2HG       LYS  41  -0.832   8.644 -10.529
  316   2HG   LYS  41          1HG       LYS  41  -2.225   8.585  -9.456
  317   1HD   LYS  41          2HD       LYS  41  -1.124  10.214  -7.943
  318   2HD   LYS  41          1HD       LYS  41   0.240  10.289  -9.019
  319   1HE   LYS  41          2HE       LYS  41  -2.613  10.965  -9.877
  320   2HE   LYS  41          1HE       LYS  41  -1.440  12.180  -9.374
  321   1HZ   LYS  41          2HZ       LYS  41  -0.556  10.349 -11.487
  322   2HZ   LYS  41          1HZ       LYS  41  -1.737  11.507 -11.917
  323   3HZ   LYS  41          3HZ       LYS  41  -0.256  11.981 -11.265
  324    H    GLU  42           H        GLU  42   1.138   7.245  -6.406
  325    HA   GLU  42           HA       GLU  42   3.133   9.314  -5.707
  326   1HB   GLU  42          2HB       GLU  42   0.522   9.966  -5.475
  327   2HB   GLU  42          1HB       GLU  42   0.870   9.394  -3.832
  328   1HG   GLU  42          2HG       GLU  42   1.454  11.724  -3.789
  329   2HG   GLU  42          1HG       GLU  42   2.992  10.942  -4.149
  330    H    VAL  43           H        VAL  43   4.183   8.978  -3.884
  331    HA   VAL  43           HA       VAL  43   3.762   6.577  -2.283
  332    HB   VAL  43           HB       VAL  43   6.157   5.918  -2.550
  333   1HG1  VAL  43          3HG1      VAL  43   4.264   4.964  -3.962
  334   2HG1  VAL  43          2HG1      VAL  43   4.837   6.085  -5.217
  335   3HG1  VAL  43          1HG1      VAL  43   5.928   4.868  -4.612
  336   1HG2  VAL  43          1HG2      VAL  43   6.100   8.375  -4.242
  337   2HG2  VAL  43          3HG2      VAL  43   7.492   7.652  -3.444
  338   3HG2  VAL  43          2HG2      VAL  43   6.912   6.973  -4.965
  339    H    ARG  44           H        ARG  44   3.901   7.170  -0.267
  340    HA   ARG  44           HA       ARG  44   5.420   9.557   0.504
  341   1HB   ARG  44          2HB       ARG  44   2.658   9.300   0.574
  342   2HB   ARG  44          1HB       ARG  44   3.176   9.076   2.271
  343   1HG   ARG  44          2HG       ARG  44   4.723  11.196   1.211
  344   2HG   ARG  44          1HG       ARG  44   3.033  11.473   0.708
  345   1HD   ARG  44          2HD       ARG  44   3.375  12.546   2.799
  346   2HD   ARG  44          1HD       ARG  44   2.417  11.083   3.145
  347    HE   ARG  44           HE       ARG  44   4.840  10.111   3.591
  348   1HH1  ARG  44          2HH1      ARG  44   5.398  13.253   3.307
  349   2HH1  ARG  44          1HH1      ARG  44   5.796  13.637   4.948
  350   1HH2  ARG  44          1HH2      ARG  44   4.639  10.565   6.107
  351   2HH2  ARG  44          2HH2      ARG  44   5.372  12.094   6.529
  352    H    LEU  45           H        LEU  45   7.100   8.377   1.084
  353    HA   LEU  45           HA       LEU  45   6.968   7.051   3.670
  354   1HB   LEU  45          2HB       LEU  45   6.858   5.177   2.017
  355   2HB   LEU  45          1HB       LEU  45   8.365   5.775   1.295
  356    HG   LEU  45           HG       LEU  45   9.355   5.680   3.605
  357   1HD1  LEU  45          2HD1      LEU  45   6.671   4.536   3.979
  358   2HD1  LEU  45          1HD1      LEU  45   7.944   3.467   4.613
  359   3HD1  LEU  45          3HD1      LEU  45   7.761   5.121   5.206
  360   1HD2  LEU  45          2HD2      LEU  45   9.164   3.692   1.562
  361   2HD2  LEU  45          1HD2      LEU  45  10.420   3.872   2.793
  362   3HD2  LEU  45          3HD2      LEU  45   9.047   2.865   3.120
  363    H    VAL  46           H        VAL  46   8.252   9.029   4.310
  364    HA   VAL  46           HA       VAL  46  11.013   9.034   3.059
  365    HB   VAL  46           HB       VAL  46   9.212  11.445   3.313
  366   1HG1  VAL  46          1HG1      VAL  46  11.671  11.861   3.733
  367   2HG1  VAL  46          3HG1      VAL  46  11.893  11.381   2.043
  368   3HG1  VAL  46          2HG1      VAL  46  10.930  12.793   2.423
  369   1HG2  VAL  46          2HG2      VAL  46   8.765   9.843   1.352
  370   2HG2  VAL  46          1HG2      VAL  46   9.323  11.456   0.878
  371   3HG2  VAL  46          3HG2      VAL  46  10.455  10.108   0.919
  372    HA   PRO  47           HA       PRO  47  11.096  12.184   6.973
  373   1HB   PRO  47          2HB       PRO  47   9.306  10.966   8.866
  374   2HB   PRO  47          1HB       PRO  47   9.270  12.602   8.165
  375   1HG   PRO  47          2HG       PRO  47   7.938  10.071   7.242
  376   2HG   PRO  47          1HG       PRO  47   7.304  11.743   7.140
  377   1HD   PRO  47          2HD       PRO  47   8.244  10.852   4.890
  378   2HD   PRO  47          1HD       PRO  47   8.940  12.353   5.452
  379    H    GLY  48           H        GLY  48  11.526  11.591   9.437
  380   1HA   GLY  48          2HA       GLY  48  13.639   9.743   9.578
  381   2HA   GLY  48          1HA       GLY  48  12.749  10.336  10.996
  382    H    ARG  49           H        ARG  49  10.242   9.514   9.804
  383    HA   ARG  49           HA       ARG  49   9.719   6.964  10.941
  384   1HB   ARG  49          2HB       ARG  49   8.415   8.599   8.771
  385   2HB   ARG  49          1HB       ARG  49   7.760   7.070   9.306
  386   1HG   ARG  49          2HG       ARG  49   8.408   8.726  11.614
  387   2HG   ARG  49          1HG       ARG  49   7.336   9.570  10.490
  388   1HD   ARG  49          2HD       ARG  49   5.781   8.386  11.630
  389   2HD   ARG  49          1HD       ARG  49   6.124   7.214  10.391
  390    HE   ARG  49           HE       ARG  49   7.952   6.437  12.185
  391   1HH1  ARG  49          2HH2      ARG  49   4.735   5.852  12.088
  392   2HH1  ARG  49          1HH2      ARG  49   4.489   5.669  13.795
  393   1HH2  ARG  49          2HH1      ARG  49   7.608   6.890  14.713
  394   2HH2  ARG  49          1HH1      ARG  49   6.095   6.255  15.256
  395    H    HIS  50           H        HIS  50   9.144   7.307   7.468
  396    HA   HIS  50           HA       HIS  50   9.617   5.948   5.657
  397   1HB   HIS  50          2HB       HIS  50  11.547   4.381   7.387
  398   2HB   HIS  50          1HB       HIS  50  11.440   4.368   5.644
  399    HD1  HIS  50           HD1      HIS  50  13.457   5.754   8.240
  400    HD2  HIS  50           HD2      HIS  50  12.162   7.043   4.507
  401    HE1  HIS  50           HE1      HIS  50  15.079   7.650   7.562
  402    HE2  HIS  50           HE2      HIS  50  14.301   8.446   5.291
  403    H    ASP  51           H        ASP  51   8.107   5.502   8.258
  404    HA   ASP  51           HA       ASP  51   7.738   2.575   8.094
  405   1HB   ASP  51          2HB       ASP  51   8.661   3.703  10.279
  406   2HB   ASP  51          1HB       ASP  51   6.940   3.983  10.572
  407    H    ILE  52           H        ILE  52   6.145   5.510   7.613
  408    HA   ILE  52           HA       ILE  52   3.497   4.211   7.684
  409    HB   ILE  52           HB       ILE  52   2.453   6.404   7.782
  410   1HG1  ILE  52          2HG1      ILE  52   4.652   7.852   9.049
  411   2HG1  ILE  52          1HG1      ILE  52   5.074   7.405   7.408
  412   1HG2  ILE  52          1HG2      ILE  52   4.112   5.345  10.040
  413   2HG2  ILE  52          3HG2      ILE  52   3.084   6.777  10.217
  414   3HG2  ILE  52          2HG2      ILE  52   2.354   5.264   9.707
  415   1HD1  ILE  52          1HD1      ILE  52   2.410   8.636   8.092
  416   2HD1  ILE  52          3HD1      ILE  52   3.833   9.645   7.726
  417   3HD1  ILE  52          2HD1      ILE  52   3.231   8.537   6.515
  418    H    ALA  53           H        ALA  53   3.038   3.611   5.697
  419    HA   ALA  53           HA       ALA  53   4.185   5.045   3.346
  420   1HB   ALA  53          1HB       ALA  53   3.398   2.258   4.089
  421   2HB   ALA  53          3HB       ALA  53   3.085   2.708   2.428
  422   3HB   ALA  53          2HB       ALA  53   4.731   2.836   3.079
  423    H    PHE  54           H        PHE  54   2.897   6.310   2.323
  424    HA   PHE  54           HA       PHE  54   0.055   5.761   1.955
  425   1HB   PHE  54          2HB       PHE  54   1.405   8.069   2.867
  426   2HB   PHE  54          1HB       PHE  54   0.900   8.452   1.204
  427    HD1  PHE  54           HD2      PHE  54  -0.341   7.324   4.544
  428    HD2  PHE  54           HD1      PHE  54  -1.242   9.088   0.731
  429    HE1  PHE  54           HE2      PHE  54  -2.577   7.888   5.366
  430    HE2  PHE  54           HE1      PHE  54  -3.527   9.677   1.563
  431    HZ   PHE  54           HZ       PHE  54  -4.205   9.095   3.852
  432    H    VAL  55           H        VAL  55  -0.181   4.694   0.203
  433    HA   VAL  55           HA       VAL  55   1.450   5.306  -2.252
  434    HB   VAL  55           HB       VAL  55  -0.025   2.831  -1.392
  435   1HG1  VAL  55          1HG1      VAL  55   1.889   3.611  -3.569
  436   2HG1  VAL  55          3HG1      VAL  55   1.906   1.914  -3.005
  437   3HG1  VAL  55          2HG1      VAL  55   0.413   2.642  -3.668
  438   1HG2  VAL  55          1HG2      VAL  55   1.632   3.297   0.318
  439   2HG2  VAL  55          3HG2      VAL  55   2.098   1.886  -0.580
  440   3HG2  VAL  55          2HG2      VAL  55   2.883   3.417  -0.929
  441    H    GLU  56           H        GLU  56   0.321   6.457  -3.502
  442    HA   GLU  56           HA       GLU  56  -2.514   6.100  -4.071
  443   1HB   GLU  56          2HB       GLU  56  -1.373   8.410  -3.541
  444   2HB   GLU  56          1HB       GLU  56  -0.823   8.271  -5.226
  445   1HG   GLU  56          2HG       GLU  56  -3.190   8.103  -5.932
  446   2HG   GLU  56          1HG       GLU  56  -3.700   8.131  -4.273
  447    H    PHE  57           H        PHE  57  -2.833   4.657  -5.578
  448    HA   PHE  57           HA       PHE  57  -0.995   4.221  -7.833
  449   1HB   PHE  57          2HB       PHE  57  -2.621   2.428  -6.107
  450   2HB   PHE  57          1HB       PHE  57  -2.583   2.044  -7.794
  451    HD1  PHE  57           HD2      PHE  57  -0.161   2.445  -8.947
  452    HD2  PHE  57           HD1      PHE  57  -0.826   1.508  -4.815
  453    HE1  PHE  57           HE2      PHE  57   2.082   1.611  -8.750
  454    HE2  PHE  57           HE1      PHE  57   1.482   0.647  -4.620
  455    HZ   PHE  57           HZ       PHE  57   2.954   0.711  -6.645
  456    H    ASP  58           H        ASP  58  -1.760   5.324  -9.494
  457    HA   ASP  58           HA       ASP  58  -3.833   6.590 -10.240
  458   1HB   ASP  58          2HB       ASP  58  -2.202   6.365 -11.908
  459   2HB   ASP  58          1HB       ASP  58  -2.285   4.617 -11.844
  460    H    ASN  59           H        ASN  59  -3.914   3.006 -10.411
  461    HA   ASN  59           HA       ASN  59  -6.797   3.202  -9.991
  462   1HB   ASN  59          2HB       ASN  59  -7.482   1.904 -11.825
  463   2HB   ASN  59          1HB       ASN  59  -6.414   3.142 -12.524
  464   1HD2  ASN  59          2HD2      ASN  59  -4.525   0.794 -14.180
  465   2HD2  ASN  59          1HD2      ASN  59  -5.298   2.277 -14.199
  466    H    GLU  60           H        GLU  60  -7.700   1.369  -9.212
  467    HA   GLU  60           HA       GLU  60  -6.240  -0.064  -7.305
  468   1HB   GLU  60          2HB       GLU  60  -8.376  -1.455  -7.125
  469   2HB   GLU  60          1HB       GLU  60  -8.464   0.279  -6.916
  470   1HG   GLU  60          2HG       GLU  60  -8.682  -0.461  -9.745
  471   2HG   GLU  60          1HG       GLU  60  -9.928  -1.247  -8.784
  472    H    VAL  61           H        VAL  61  -6.487  -0.886 -10.696
  473    HA   VAL  61           HA       VAL  61  -6.110  -3.718 -10.389
  474    HB   VAL  61           HB       VAL  61  -5.105  -2.089 -12.779
  475   1HG1  VAL  61          2HG1      VAL  61  -5.335  -4.879 -12.043
  476   2HG1  VAL  61          1HG1      VAL  61  -6.298  -4.556 -13.478
  477   3HG1  VAL  61          3HG1      VAL  61  -4.585  -4.144 -13.445
  478   1HG2  VAL  61          3HG2      VAL  61  -7.903  -2.743 -11.863
  479   2HG2  VAL  61          2HG2      VAL  61  -7.343  -1.342 -12.766
  480   3HG2  VAL  61          1HG2      VAL  61  -7.500  -2.925 -13.556
  481    H    GLN  62           H        GLN  62  -4.169  -0.894 -10.924
  482    HA   GLN  62           HA       GLN  62  -1.566  -2.149 -10.668
  483   1HB   GLN  62          2HB       GLN  62  -1.841   0.822 -10.420
  484   2HB   GLN  62          1HB       GLN  62  -0.557  -0.141 -11.066
  485   1HG   GLN  62          2HG       GLN  62  -1.424  -0.287 -13.119
  486   2HG   GLN  62          1HG       GLN  62  -3.029  -0.498 -12.557
  487   1HE2  GLN  62          1HE2      GLN  62  -2.780   2.880 -14.226
  488   2HE2  GLN  62          2HE2      GLN  62  -2.403   1.324 -14.723
  489    H    ALA  63           H        ALA  63  -3.808  -0.430  -8.467
  490    HA   ALA  63           HA       ALA  63  -1.849   0.000  -6.430
  491   1HB   ALA  63          1HB       ALA  63  -4.399   0.912  -6.846
  492   2HB   ALA  63          3HB       ALA  63  -4.728  -0.457  -5.792
  493   3HB   ALA  63          2HB       ALA  63  -3.703   0.865  -5.198
  494    H    GLY  64           H        GLY  64  -4.256  -2.286  -7.378
  495   1HA   GLY  64          2HA       GLY  64  -4.180  -4.163  -5.253
  496   2HA   GLY  64          1HA       GLY  64  -4.764  -4.424  -6.935
  497    H    ALA  65           H        ALA  65  -2.546  -3.875  -8.389
  498    HA   ALA  65           HA       ALA  65  -1.110  -6.355  -8.336
  499   1HB   ALA  65          3HB       ALA  65  -1.505  -4.816 -10.348
  500   2HB   ALA  65          2HB       ALA  65  -0.191  -3.841  -9.715
  501   3HB   ALA  65          1HB       ALA  65   0.058  -5.549 -10.187
  502    H    ALA  66           H        ALA  66   0.037  -3.006  -7.585
  503    HA   ALA  66           HA       ALA  66   2.572  -3.666  -6.422
  504   1HB   ALA  66          3HB       ALA  66   0.673  -1.354  -6.540
  505   2HB   ALA  66          2HB       ALA  66   1.587  -1.402  -5.063
  506   3HB   ALA  66          1HB       ALA  66   2.444  -1.364  -6.612
  507    H    ARG  67           H        ARG  67  -0.536  -3.128  -4.882
  508    HA   ARG  67           HA       ARG  67   0.217  -3.520  -2.216
  509   1HB   ARG  67          2HB       ARG  67  -2.070  -2.734  -2.956
  510   2HB   ARG  67          1HB       ARG  67  -2.444  -4.340  -3.521
  511   1HG   ARG  67          2HG       ARG  67  -1.440  -4.130  -0.698
  512   2HG   ARG  67          1HG       ARG  67  -3.029  -3.448  -1.015
  513   1HD   ARG  67          2HD       ARG  67  -3.864  -5.557  -1.729
  514   2HD   ARG  67          1HD       ARG  67  -2.282  -6.238  -2.024
  515    HE   ARG  67           HE       ARG  67  -1.999  -6.074   0.525
  516   1HH1  ARG  67          2HH2      ARG  67  -4.738  -4.908   0.993
  517   2HH1  ARG  67          1HH2      ARG  67  -5.687  -6.317   1.409
  518   1HH2  ARG  67          1HH1      ARG  67  -3.311  -8.533   0.179
  519   2HH2  ARG  67          2HH1      ARG  67  -4.850  -8.421   0.947
  520    H    ASP  68           H        ASP  68  -1.318  -5.863  -4.375
  521    HA   ASP  68           HA       ASP  68  -1.046  -8.244  -2.851
  522   1HB   ASP  68          2HB       ASP  68  -2.546  -8.185  -4.699
  523   2HB   ASP  68          1HB       ASP  68  -1.187  -7.833  -5.799
  524    H    ALA  69           H        ALA  69   1.257  -6.621  -4.990
  525    HA   ALA  69           HA       ALA  69   3.008  -8.934  -5.125
  526   1HB   ALA  69          3HB       ALA  69   3.348  -6.000  -5.870
  527   2HB   ALA  69          2HB       ALA  69   4.634  -7.199  -6.110
  528   3HB   ALA  69          1HB       ALA  69   3.119  -7.320  -7.004
  529    H    LEU  70           H        LEU  70   2.692  -6.008  -3.143
  530    HA   LEU  70           HA       LEU  70   4.802  -7.213  -1.327
  531   1HB   LEU  70          2HB       LEU  70   5.567  -4.980  -0.683
  532   2HB   LEU  70          1HB       LEU  70   5.936  -5.309  -2.369
  533    HG   LEU  70           HG       LEU  70   3.330  -4.058  -1.934
  534   1HD1  LEU  70          1HD1      LEU  70   5.353  -2.968  -0.341
  535   2HD1  LEU  70          3HD1      LEU  70   5.394  -1.975  -1.764
  536   3HD1  LEU  70          2HD1      LEU  70   3.874  -2.139  -0.911
  537   1HD2  LEU  70          1HD2      LEU  70   4.433  -4.264  -4.202
  538   2HD2  LEU  70          3HD2      LEU  70   4.196  -2.554  -3.794
  539   3HD2  LEU  70          2HD2      LEU  70   5.768  -3.297  -3.637
  540    H    GLN  71           H        GLN  71   2.315  -7.881  -1.187
  541    HA   GLN  71           HA       GLN  71   0.695  -6.248   0.546
  542   1HB   GLN  71          2HB       GLN  71  -0.920  -8.083   0.242
  543   2HB   GLN  71          1HB       GLN  71  -0.030  -8.000  -1.255
  544   1HG   GLN  71          2HG       GLN  71   0.557 -10.037  -1.104
  545   2HG   GLN  71          1HG       GLN  71   1.510  -9.705   0.324
  546   1HE2  GLN  71          2HE2      GLN  71  -1.463 -10.629   2.442
  547   2HE2  GLN  71          1HE2      GLN  71  -0.454  -9.286   2.278
  548    H    GLY  72           H        GLY  72   3.373  -7.768   1.287
  549   1HA   GLY  72          2HA       GLY  72   2.889  -7.791   4.133
  550   2HA   GLY  72          1HA       GLY  72   2.874  -9.437   3.526
  551    H    PHE  73           H        PHE  73   4.638  -6.547   2.582
  552    HA   PHE  73           HA       PHE  73   7.064  -7.713   1.820
  553   1HB   PHE  73          2HB       PHE  73   6.402  -5.326   1.376
  554   2HB   PHE  73          1HB       PHE  73   6.802  -4.975   3.051
  555    HD1  PHE  73           HD2      PHE  73   9.218  -5.598   3.789
  556    HD2  PHE  73           HD1      PHE  73   8.003  -5.467  -0.325
  557    HE1  PHE  73           HE2      PHE  73  11.610  -5.455   3.082
  558    HE2  PHE  73           HE1      PHE  73  10.307  -5.325  -1.031
  559    HZ   PHE  73           HZ       PHE  73  12.169  -5.320   0.681
  560    H    LYS  74           H        LYS  74   7.738  -9.265   3.086
  561    HA   LYS  74           HA       LYS  74   7.926  -9.087   5.963
  562   1HB   LYS  74          2HB       LYS  74   9.798 -10.894   5.619
  563   2HB   LYS  74          1HB       LYS  74   8.159 -11.313   5.118
  564   1HG   LYS  74          2HG       LYS  74   8.750 -11.371   2.921
  565   2HG   LYS  74          1HG       LYS  74   9.667  -9.873   3.044
  566   1HD   LYS  74          2HD       LYS  74  11.632 -11.050   3.373
  567   2HD   LYS  74          1HD       LYS  74  10.844 -12.232   4.444
  568   1HE   LYS  74          2HE       LYS  74  10.402 -13.675   2.752
  569   2HE   LYS  74          1HE       LYS  74  10.052 -12.407   1.620
  570   1HZ   LYS  74          1HZ       LYS  74  12.616 -11.951   1.872
  571   2HZ   LYS  74          3HZ       LYS  74  12.625 -13.540   2.458
  572   3HZ   LYS  74          2HZ       LYS  74  12.109 -13.236   0.872
  573    H    ILE  75           H        ILE  75   8.686  -7.093   6.442
  574    HA   ILE  75           HA       ILE  75  11.032  -5.856   5.503
  575    HB   ILE  75           HB       ILE  75   9.867  -5.755   8.325
  576   1HG1  ILE  75          2HG1      ILE  75   8.245  -5.184   6.292
  577   2HG1  ILE  75          1HG1      ILE  75   8.295  -4.185   7.712
  578   1HG2  ILE  75          2HG2      ILE  75  11.778  -3.977   6.810
  579   2HG2  ILE  75          1HG2      ILE  75  10.672  -3.332   8.064
  580   3HG2  ILE  75          3HG2      ILE  75  11.852  -4.610   8.435
  581   1HD1  ILE  75          2HD1      ILE  75   9.950  -3.677   5.181
  582   2HD1  ILE  75          1HD1      ILE  75   8.358  -2.978   5.476
  583   3HD1  ILE  75          3HD1      ILE  75   9.718  -2.572   6.511
  584    H    THR  76           H        THR  76  10.502  -8.408   7.765
  585    HA   THR  76           HA       THR  76  13.492  -8.651   8.073
  586    HB   THR  76           HB       THR  76  11.749  -9.426  10.349
  587    HG1  THR  76          1HG       THR  76  12.736  -6.808  10.303
  588   1HG2  THR  76          3HG2      THR  76  14.535  -8.891   9.790
  589   2HG2  THR  76          2HG2      THR  76  14.001  -7.987  11.199
  590   3HG2  THR  76          1HG2      THR  76  13.820  -9.751  11.188
  591    H    GLN  77           H        GLN  77  10.488 -10.332   8.433
  592    HA   GLN  77           HA       GLN  77  10.414 -12.439   6.959
  593   1HB   GLN  77          2HB       GLN  77  12.625 -13.330   7.281
  594   2HB   GLN  77          1HB       GLN  77  12.595 -12.980   9.026
  595   1HG   GLN  77          2HG       GLN  77  12.464 -15.287   8.687
  596   2HG   GLN  77          1HG       GLN  77  10.968 -14.712   9.419
  597   1HE2  GLN  77          1HE2      GLN  77  10.380 -15.273   5.397
  598   2HE2  GLN  77          2HE2      GLN  77  11.569 -14.193   5.952
  599    H    ASN  78           H        ASN  78  10.681 -11.693  10.320
  600    HA   ASN  78           HA       ASN  78   8.275 -13.232  11.074
  601   1HB   ASN  78          2HB       ASN  78  10.432 -11.794  12.625
  602   2HB   ASN  78          1HB       ASN  78   8.941 -12.446  13.375
  603   1HD2  ASN  78          1HD2      ASN  78  11.797 -15.092  12.094
  604   2HD2  ASN  78          2HD2      ASN  78  11.895 -13.491  11.535
  605    H    ASN  79           H        ASN  79   9.525 -10.163  10.303
  606    HA   ASN  79           HA       ASN  79   7.136  -8.662  11.221
  607   1HB   ASN  79          2HB       ASN  79  10.022  -8.068  11.097
  608   2HB   ASN  79          1HB       ASN  79   9.006  -6.781  10.493
  609   1HD2  ASN  79          2HD2      ASN  79   9.315  -7.511  14.497
  610   2HD2  ASN  79          1HD2      ASN  79  10.242  -8.328  13.359
  611    H    ALA  80           H        ALA  80   5.787  -8.146   9.570
  612    HA   ALA  80           HA       ALA  80   6.762  -7.808   6.797
  613   1HB   ALA  80          3HB       ALA  80   4.619  -9.508   7.951
  614   2HB   ALA  80          2HB       ALA  80   4.283  -8.716   6.384
  615   3HB   ALA  80          1HB       ALA  80   5.624  -9.835   6.512
  616    H    MET  81           H        MET  81   5.846  -6.066   5.806
  617    HA   MET  81           HA       MET  81   4.866  -3.954   7.460
  618   1HB   MET  81          2HB       MET  81   5.244  -2.715   5.644
  619   2HB   MET  81          1HB       MET  81   5.923  -4.177   4.920
  620   1HG   MET  81          2HG       MET  81   3.388  -4.597   4.185
  621   2HG   MET  81          1HG       MET  81   3.251  -2.853   4.471
  622   1HE   MET  81          1HE       MET  81   4.365  -1.109   3.326
  623   2HE   MET  81          3HE       MET  81   6.076  -1.580   3.310
  624   3HE   MET  81          2HE       MET  81   5.181  -1.237   1.801
  625    H    LYS  82           H        LYS  82   2.878  -2.648   7.069
  626    HA   LYS  82           HA       LYS  82   0.555  -4.282   6.327
  627   1HB   LYS  82          2HB       LYS  82   0.582  -2.443   8.757
  628   2HB   LYS  82          1HB       LYS  82  -0.759  -3.358   8.101
  629   1HG   LYS  82          2HG       LYS  82   1.442  -5.174   8.386
  630   2HG   LYS  82          1HG       LYS  82   1.423  -4.232   9.845
  631   1HD   LYS  82          2HD       LYS  82  -1.187  -5.321   8.712
  632   2HD   LYS  82          1HD       LYS  82  -0.106  -6.394   9.569
  633   1HE   LYS  82          2HE       LYS  82  -0.732  -3.742  10.839
  634   2HE   LYS  82          1HE       LYS  82  -2.060  -4.855  10.689
  635   1HZ   LYS  82          1HZ       LYS  82  -0.729  -6.573  11.724
  636   2HZ   LYS  82          3HZ       LYS  82   0.543  -5.446  11.970
  637   3HZ   LYS  82          2HZ       LYS  82  -0.955  -5.222  12.766
  638    H    ILE  83           H        ILE  83  -0.388  -3.437   4.770
  639    HA   ILE  83           HA       ILE  83  -0.239  -0.623   3.842
  640    HB   ILE  83           HB       ILE  83  -0.017  -3.319   2.494
  641   1HG1  ILE  83          2HG1      ILE  83   1.518  -0.675   2.436
  642   2HG1  ILE  83          1HG1      ILE  83   2.037  -2.263   3.075
  643   1HG2  ILE  83          2HG2      ILE  83  -1.742  -1.423   1.424
  644   2HG2  ILE  83          1HG2      ILE  83  -0.220  -0.940   0.708
  645   3HG2  ILE  83          3HG2      ILE  83  -0.810  -2.580   0.511
  646   1HD1  ILE  83          2HD1      ILE  83   1.514  -3.066   0.681
  647   2HD1  ILE  83          1HD1      ILE  83   1.564  -1.377   0.209
  648   3HD1  ILE  83          3HD1      ILE  83   2.999  -2.084   0.876
  649    H    SER  84           H        SER  84  -2.377   0.174   4.146
  650    HA   SER  84           HA       SER  84  -4.584  -1.766   3.976
  651   1HB   SER  84          2HB       SER  84  -5.013  -1.154   6.079
  652   2HB   SER  84          1HB       SER  84  -4.068   0.311   6.024
  653    HG   SER  84           HG       SER  84  -6.707  -0.061   5.710
  654    H    PHE  85           H        PHE  85  -5.274  -1.439   1.902
  655    HA   PHE  85           HA       PHE  85  -5.346   0.700   0.184
  656   1HB   PHE  85          2HB       PHE  85  -7.679  -0.260  -0.394
  657   2HB   PHE  85          1HB       PHE  85  -6.265  -1.239  -0.693
  658    HD1  PHE  85           HD1      PHE  85  -9.005  -0.494   1.655
  659    HD2  PHE  85           HD2      PHE  85  -5.987  -3.318   0.532
  660    HE1  PHE  85           HE1      PHE  85  -9.970  -2.239   3.225
  661    HE2  PHE  85           HE2      PHE  85  -6.925  -4.997   2.049
  662    HZ   PHE  85           HZ       PHE  85  -8.902  -4.470   3.399
  663    H    ALA  86           H        ALA  86  -7.017   2.321  -0.142
  664    HA   ALA  86           HA       ALA  86  -8.550   3.056   2.259
  665   1HB   ALA  86          2HB       ALA  86  -6.729   4.602   1.543
  666   2HB   ALA  86          1HB       ALA  86  -7.590   4.831   0.003
  667   3HB   ALA  86          3HB       ALA  86  -8.302   5.410   1.482
  668    H    LYS  87           H        LYS  87 -10.782   2.997   1.912
  669    HA   LYS  87           HA       LYS  87 -12.207   2.155  -0.288
  670   1HB   LYS  87          2HB       LYS  87 -14.104   3.387   0.610
  671   2HB   LYS  87          1HB       LYS  87 -13.242   2.412   1.825
  672   1HG   LYS  87          2HG       LYS  87 -11.969   4.617   2.391
  673   2HG   LYS  87          1HG       LYS  87 -13.203   5.404   1.404
  674   1HD   LYS  87          2HD       LYS  87 -14.812   3.903   3.040
  675   2HD   LYS  87          1HD       LYS  87 -13.494   4.295   4.134
  676   1HE   LYS  87          2HE       LYS  87 -14.649   6.234   4.403
  677   2HE   LYS  87          1HE       LYS  87 -13.815   6.683   2.901
  678   1HZ   LYS  87          1HZ       LYS  87 -15.636   5.869   1.667
  679   2HZ   LYS  87          3HZ       LYS  87 -16.480   5.453   3.077
  680   3HZ   LYS  87          2HZ       LYS  87 -16.116   7.095   2.756
  681    H    LYS  88           H        LYS  88 -12.174   2.817  -2.271
  682    HA   LYS  88           HA       LYS  88 -11.327   5.317  -3.326
  683   1HB   LYS  88          2HB       LYS  88 -11.413   3.144  -4.504
  684   2HB   LYS  88          1HB       LYS  88 -13.148   3.262  -4.603
  685   1HG   LYS  88          2HG       LYS  88 -12.808   5.523  -5.765
  686   2HG   LYS  88          1HG       LYS  88 -11.094   5.207  -5.765
  687   1HD   LYS  88          2HD       LYS  88 -11.438   3.156  -7.136
  688   2HD   LYS  88          1HD       LYS  88 -13.200   3.451  -7.040
  689   1HE   LYS  88          2HE       LYS  88 -13.224   5.120  -8.471
  690   2HE   LYS  88          1HE       LYS  88 -11.600   5.710  -8.110
  691   1HZ   LYS  88          2HZ       LYS  88 -11.613   3.083  -9.283
  692   2HZ   LYS  88          1HZ       LYS  88 -12.428   4.177 -10.257
  693   3HZ   LYS  88          3HZ       LYS  88 -10.812   4.517  -9.764
   
  No H/Q in entry =         693
  Start of MODEL   13
    1   1H    MET   1          2H        MET   1 -25.390  10.761   8.299
    2   2H    MET   1          1H        MET   1 -26.561  12.001   8.269
    3   3H    MET   1          3H        MET   1 -26.470  10.939   9.581
    4    HA   MET   1           HA       MET   1 -27.640   9.332   8.484
    5   1HB   MET   1          2HB       MET   1 -29.296  10.282   6.918
    6   2HB   MET   1          1HB       MET   1 -29.136  11.276   8.344
    7   1HG   MET   1          2HG       MET   1 -28.619  13.043   7.054
    8   2HG   MET   1          1HG       MET   1 -27.215  12.150   6.474
    9   1HE   MET   1          2HE       MET   1 -30.960  11.862   6.562
   10   2HE   MET   1          1HE       MET   1 -30.837  13.432   5.780
   11   3HE   MET   1          3HE       MET   1 -31.496  12.023   4.911
   12    H    ALA   2           H        ALA   2 -25.554  11.086   6.389
   13    HA   ALA   2           HA       ALA   2 -25.915   9.458   4.074
   14   1HB   ALA   2          2HB       ALA   2 -23.607  11.223   4.929
   15   2HB   ALA   2          1HB       ALA   2 -23.536  10.271   3.453
   16   3HB   ALA   2          3HB       ALA   2 -24.775  11.503   3.664
   17    HA   PRO   3           HA       PRO   3 -23.770   5.988   5.916
   18   1HB   PRO   3          2HB       PRO   3 -24.540   4.029   4.159
   19   2HB   PRO   3          1HB       PRO   3 -25.666   4.793   5.294
   20   1HG   PRO   3          2HG       PRO   3 -25.321   5.354   2.307
   21   2HG   PRO   3          1HG       PRO   3 -26.812   5.311   3.277
   22   1HD   PRO   3          2HD       PRO   3 -25.473   7.643   2.651
   23   2HD   PRO   3          1HD       PRO   3 -26.674   7.454   3.929
   24    H    ALA   4           H        ALA   4 -22.033   7.687   4.770
   25    HA   ALA   4           HA       ALA   4 -20.576   6.285   2.588
   26   1HB   ALA   4          1HB       ALA   4 -21.120   8.859   2.753
   27   2HB   ALA   4          3HB       ALA   4 -19.675   8.888   3.780
   28   3HB   ALA   4          2HB       ALA   4 -19.574   8.360   2.094
   29    H    GLN   5           H        GLN   5 -20.676   4.986   5.046
   30    HA   GLN   5           HA       GLN   5 -17.832   5.165   5.741
   31   1HB   GLN   5          2HB       GLN   5 -19.767   4.734   8.036
   32   2HB   GLN   5          1HB       GLN   5 -18.140   5.398   8.059
   33   1HG   GLN   5          2HG       GLN   5 -18.900   7.457   6.994
   34   2HG   GLN   5          1HG       GLN   5 -20.531   6.805   6.811
   35   1HE2  GLN   5          2HE2      GLN   5 -20.836   6.932  10.547
   36   2HE2  GLN   5          1HE2      GLN   5 -20.944   5.678   9.437
   37    HA   PRO   6           HA       PRO   6 -16.536   4.052   6.961
   38   1HB   PRO   6          2HB       PRO   6 -14.789   1.981   5.964
   39   2HB   PRO   6          1HB       PRO   6 -15.168   2.337   7.687
   40   1HG   PRO   6          2HG       PRO   6 -15.942   0.057   6.162
   41   2HG   PRO   6          1HG       PRO   6 -16.529   0.474   7.783
   42   1HD   PRO   6          2HD       PRO   6 -17.940   0.761   5.221
   43   2HD   PRO   6          1HD       PRO   6 -18.571   0.768   6.863
   44    H    LEU   7           H        LEU   7 -16.807   1.998   4.089
   45    HA   LEU   7           HA       LEU   7 -16.612   4.100   2.227
   46   1HB   LEU   7          2HB       LEU   7 -14.367   3.439   1.232
   47   2HB   LEU   7          1HB       LEU   7 -14.228   4.309   2.781
   48    HG   LEU   7           HG       LEU   7 -14.409   1.468   3.221
   49   1HD1  LEU   7          1HD1      LEU   7 -12.270   2.518   1.370
   50   2HD1  LEU   7          3HD1      LEU   7 -12.128   0.960   2.246
   51   3HD1  LEU   7          2HD1      LEU   7 -13.407   1.200   1.088
   52   1HD2  LEU   7          3HD2      LEU   7 -13.351   3.550   4.555
   53   2HD2  LEU   7          2HD2      LEU   7 -12.692   1.942   4.759
   54   3HD2  LEU   7          1HD2      LEU   7 -11.879   3.034   3.682
   55    H    SER   8           H        SER   8 -17.898   3.148   0.648
   56    HA   SER   8           HA       SER   8 -17.769   0.222   0.224
   57   1HB   SER   8          2HB       SER   8 -19.998   1.239   0.710
   58   2HB   SER   8          1HB       SER   8 -19.699   2.383  -0.596
   59    HG   SER   8           HG       SER   8 -19.451  -0.250  -1.335
   60    H    GLU   9           H        GLU   9 -15.669   0.575  -0.942
   61    HA   GLU   9           HA       GLU   9 -16.159   1.603  -3.711
   62   1HB   GLU   9          2HB       GLU   9 -13.425   1.670  -2.485
   63   2HB   GLU   9          1HB       GLU   9 -14.007   2.409  -3.966
   64   1HG   GLU   9          2HG       GLU   9 -15.684   3.647  -2.218
   65   2HG   GLU   9          1HG       GLU   9 -14.233   3.394  -1.204
   66    H    ASN  10           H        ASN  10 -14.344  -0.611  -1.721
   67    HA   ASN  10           HA       ASN  10 -12.635  -2.064  -2.987
   68   1HB   ASN  10          2HB       ASN  10 -14.429  -4.153  -2.188
   69   2HB   ASN  10          1HB       ASN  10 -12.940  -3.544  -1.485
   70   1HD2  ASN  10          2HD2      ASN  10 -14.594  -2.324   1.331
   71   2HD2  ASN  10          1HD2      ASN  10 -13.254  -3.132   0.631
   72    HA   PRO  11           HA       PRO  11 -14.930  -2.984  -6.909
   73   1HB   PRO  11          2HB       PRO  11 -12.868  -2.267  -8.442
   74   2HB   PRO  11          1HB       PRO  11 -13.583  -0.996  -7.387
   75   1HG   PRO  11          2HG       PRO  11 -11.080  -2.615  -7.046
   76   2HG   PRO  11          1HG       PRO  11 -11.295  -0.837  -6.932
   77   1HD   PRO  11          2HD       PRO  11 -11.486  -2.458  -4.629
   78   2HD   PRO  11          1HD       PRO  11 -12.338  -0.950  -4.857
   79    HA   PRO  12           HA       PRO  12 -12.904  -4.653  -4.356
   80   1HB   PRO  12          2HB       PRO  12 -11.959  -6.895  -3.652
   81   2HB   PRO  12          1HB       PRO  12 -13.481  -7.024  -4.556
   82   1HG   PRO  12          2HG       PRO  12 -10.602  -7.362  -5.560
   83   2HG   PRO  12          1HG       PRO  12 -11.993  -8.406  -5.897
   84   1HD   PRO  12          2HD       PRO  12 -11.272  -6.293  -7.592
   85   2HD   PRO  12          1HD       PRO  12 -12.885  -6.984  -7.400
   86    H    ASN  13           H        ASN  13 -11.122  -4.108  -3.206
   87    HA   ASN  13           HA       ASN  13  -9.261  -3.138  -2.815
   88   1HB   ASN  13          2HB       ASN  13  -8.000  -5.699  -3.995
   89   2HB   ASN  13          1HB       ASN  13  -7.146  -4.515  -3.014
   90   1HD2  ASN  13          2HD2      ASN  13  -8.928  -7.187  -0.866
   91   2HD2  ASN  13          1HD2      ASN  13  -8.140  -7.449  -2.348
   92    H    HIS  14           H        HIS  14  -6.887  -2.749  -3.687
   93    HA   HIS  14           HA       HIS  14  -5.839  -2.013  -5.938
   94   1HB   HIS  14          2HB       HIS  14  -6.823   0.148  -6.663
   95   2HB   HIS  14          1HB       HIS  14  -7.737  -1.228  -7.189
   96    HD1  HIS  14           HD1      HIS  14  -9.332   1.099  -7.237
   97    HD2  HIS  14           HD2      HIS  14  -8.716  -0.730  -3.574
   98    HE1  HIS  14           HE1      HIS  14 -11.192   1.936  -5.709
   99    HE2  HIS  14           HE2      HIS  14 -10.880   0.858  -3.430
  100    H    ILE  15           H        ILE  15  -7.002  -1.060  -2.823
  101    HA   ILE  15           HA       ILE  15  -4.980   1.100  -2.526
  102    HB   ILE  15           HB       ILE  15  -7.788   1.070  -1.495
  103   1HG1  ILE  15          2HG1      ILE  15  -5.757   3.177  -2.296
  104   2HG1  ILE  15          1HG1      ILE  15  -6.966   2.497  -3.419
  105   1HG2  ILE  15          2HG2      ILE  15  -5.314   1.926  -0.087
  106   2HG2  ILE  15          1HG2      ILE  15  -6.759   2.891   0.136
  107   3HG2  ILE  15          3HG2      ILE  15  -6.807   1.178   0.556
  108   1HD1  ILE  15          2HD1      ILE  15  -8.151   3.567  -0.966
  109   2HD1  ILE  15          1HD1      ILE  15  -7.215   4.795  -1.827
  110   3HD1  ILE  15          3HD1      ILE  15  -8.521   3.967  -2.642
  111    H    LEU  16           H        LEU  16  -3.314   0.123  -1.417
  112    HA   LEU  16           HA       LEU  16  -4.009  -1.757   0.760
  113   1HB   LEU  16          2HB       LEU  16  -1.297  -1.841  -0.514
  114   2HB   LEU  16          1HB       LEU  16  -2.253  -3.177   0.109
  115    HG   LEU  16           HG       LEU  16  -3.829  -2.375  -1.995
  116   1HD1  LEU  16          1HD1      LEU  16  -0.903  -1.841  -2.461
  117   2HD1  LEU  16          3HD1      LEU  16  -1.877  -2.338  -3.814
  118   3HD1  LEU  16          2HD1      LEU  16  -2.297  -0.845  -2.989
  119   1HD2  LEU  16          2HD2      LEU  16  -2.994  -4.629  -1.162
  120   2HD2  LEU  16          1HD2      LEU  16  -3.199  -4.419  -2.911
  121   3HD2  LEU  16          3HD2      LEU  16  -1.592  -4.296  -2.202
  122    H    PHE  17           H        PHE  17  -3.800  -0.932   2.571
  123    HA   PHE  17           HA       PHE  17  -1.774   1.083   3.205
  124   1HB   PHE  17          2HB       PHE  17  -3.697   2.292   3.491
  125   2HB   PHE  17          1HB       PHE  17  -4.634   0.898   4.071
  126    HD1  PHE  17           HD1      PHE  17  -1.346   2.554   5.131
  127    HD2  PHE  17           HD2      PHE  17  -5.124   0.789   6.320
  128    HE1  PHE  17           HE1      PHE  17  -0.803   2.886   7.528
  129    HE2  PHE  17           HE2      PHE  17  -4.555   1.126   8.642
  130    HZ   PHE  17           HZ       PHE  17  -2.386   2.181   9.290
  131    H    LEU  18           H        LEU  18  -0.546   0.628   4.798
  132    HA   LEU  18           HA       LEU  18  -0.974  -0.679   7.086
  133   1HB   LEU  18          2HB       LEU  18  -1.550  -2.718   5.730
  134   2HB   LEU  18          1HB       LEU  18   0.126  -3.015   5.620
  135    HG   LEU  18           HG       LEU  18  -0.181  -2.501   8.324
  136   1HD1  LEU  18          1HD1      LEU  18  -2.829  -2.557   7.120
  137   2HD1  LEU  18          3HD1      LEU  18  -2.594  -3.593   8.551
  138   3HD1  LEU  18          2HD1      LEU  18  -2.230  -1.878   8.615
  139   1HD2  LEU  18          2HD2      LEU  18  -0.177  -4.958   6.759
  140   2HD2  LEU  18          1HD2      LEU  18   0.016  -4.778   8.530
  141   3HD2  LEU  18          3HD2      LEU  18  -1.567  -5.022   7.815
  142    H    THR  19           H        THR  19   1.394  -1.941   7.444
  143    HA   THR  19           HA       THR  19   3.360   0.180   6.934
  144    HB   THR  19           HB       THR  19   2.445   1.308   8.831
  145    HG1  THR  19          1HG       THR  19   3.456   0.275  10.763
  146   1HG2  THR  19          1HG2      THR  19   1.572  -1.393   9.816
  147   2HG2  THR  19          3HG2      THR  19   1.296   0.101  10.662
  148   3HG2  THR  19          2HG2      THR  19   0.540  -0.150   9.107
  149    H    ASN  20           H        ASN  20   5.171  -0.433   8.409
  150    HA   ASN  20           HA       ASN  20   6.162  -2.091   9.794
  151   1HB   ASN  20          2HB       ASN  20   4.697  -4.036   9.073
  152   2HB   ASN  20          1HB       ASN  20   5.733  -4.177   7.615
  153   1HD2  ASN  20          2HD2      ASN  20   7.005  -6.220  10.473
  154   2HD2  ASN  20          1HD2      ASN  20   5.469  -6.071   9.770
  155    H    LEU  21           H        LEU  21   6.996   0.083   8.418
  156    HA   LEU  21           HA       LEU  21   9.390  -0.905   6.998
  157   1HB   LEU  21          2HB       LEU  21   8.646   1.505   5.755
  158   2HB   LEU  21          1HB       LEU  21   8.542  -0.119   5.136
  159    HG   LEU  21           HG       LEU  21   6.245   0.842   6.837
  160   1HD1  LEU  21          1HD1      LEU  21   6.673   2.563   5.171
  161   2HD1  LEU  21          3HD1      LEU  21   6.383   1.352   3.880
  162   3HD1  LEU  21          2HD1      LEU  21   5.137   1.766   5.103
  163   1HD2  LEU  21          2HD2      LEU  21   7.055  -1.411   5.188
  164   2HD2  LEU  21          1HD2      LEU  21   5.551  -1.224   6.081
  165   3HD2  LEU  21          3HD2      LEU  21   5.691  -0.656   4.406
  166    HA   PRO  22           HA       PRO  22  10.357   0.963  11.225
  167   1HB   PRO  22          2HB       PRO  22  12.495   0.336   9.159
  168   2HB   PRO  22          1HB       PRO  22  12.688   0.325  10.936
  169   1HG   PRO  22          2HG       PRO  22  11.942  -1.946   9.679
  170   2HG   PRO  22          1HG       PRO  22  11.269  -1.446  11.262
  171   1HD   PRO  22          2HD       PRO  22   9.905  -1.645   8.718
  172   2HD   PRO  22          1HD       PRO  22   9.188  -1.197  10.276
  173    H    GLU  23           H        GLU  23  13.013   2.304   9.831
  174    HA   GLU  23           HA       GLU  23  11.791   4.866   9.075
  175   1HB   GLU  23          2HB       GLU  23  13.244   6.172  10.523
  176   2HB   GLU  23          1HB       GLU  23  12.418   4.951  11.505
  177   1HG   GLU  23          2HG       GLU  23  14.372   3.480  11.335
  178   2HG   GLU  23          1HG       GLU  23  15.189   4.689  10.333
  179    H    GLU  24           H        GLU  24  14.088   2.447   8.318
  180    HA   GLU  24           HA       GLU  24  15.979   4.337   7.108
  181   1HB   GLU  24          2HB       GLU  24  15.777   1.334   7.124
  182   2HB   GLU  24          1HB       GLU  24  16.928   2.167   6.110
  183   1HG   GLU  24          2HG       GLU  24  16.659   2.777   9.047
  184   2HG   GLU  24          1HG       GLU  24  17.814   1.568   8.435
  185    H    THR  25           H        THR  25  13.070   2.710   6.389
  186    HA   THR  25           HA       THR  25  13.023   2.484   3.561
  187    HB   THR  25           HB       THR  25  10.581   2.774   3.828
  188    HG1  THR  25          1HG       THR  25  11.482   3.812   6.201
  189   1HG2  THR  25          3HG2      THR  25  12.146   0.701   4.805
  190   2HG2  THR  25          2HG2      THR  25  11.053   1.041   6.149
  191   3HG2  THR  25          1HG2      THR  25  10.374   0.609   4.580
  192    H    ASN  26           H        ASN  26  12.206   4.026   1.966
  193    HA   ASN  26           HA       ASN  26  12.109   6.848   2.979
  194   1HB   ASN  26          2HB       ASN  26  14.117   6.982   1.952
  195   2HB   ASN  26          1HB       ASN  26  13.839   5.547   0.951
  196   1HD2  ASN  26          1HD2      ASN  26  13.930   7.938  -1.635
  197   2HD2  ASN  26          2HD2      ASN  26  14.881   6.827  -0.791
  198    H    GLU  27           H        GLU  27  10.563   8.088   2.067
  199    HA   GLU  27           HA       GLU  27   8.083   7.047   1.174
  200   1HB   GLU  27          2HB       GLU  27   8.701   9.817   0.492
  201   2HB   GLU  27          1HB       GLU  27   7.276   9.064   1.219
  202   1HG   GLU  27          2HG       GLU  27   8.080  10.153   3.146
  203   2HG   GLU  27          1HG       GLU  27   8.979   8.668   3.280
  204    H    LEU  28           H        LEU  28  10.655   8.794  -0.572
  205    HA   LEU  28           HA       LEU  28   9.400   8.844  -3.172
  206   1HB   LEU  28          2HB       LEU  28  10.940  10.536  -2.841
  207   2HB   LEU  28          1HB       LEU  28  12.090   9.489  -1.999
  208    HG   LEU  28           HG       LEU  28  12.437   8.333  -4.313
  209   1HD1  LEU  28          3HD1      LEU  28  11.017  10.882  -5.127
  210   2HD1  LEU  28          2HD1      LEU  28  11.875   9.787  -6.238
  211   3HD1  LEU  28          1HD1      LEU  28  10.457   9.216  -5.397
  212   1HD2  LEU  28          1HD2      LEU  28  13.264  11.021  -3.438
  213   2HD2  LEU  28          3HD2      LEU  28  14.243   9.533  -3.611
  214   3HD2  LEU  28          2HD2      LEU  28  13.793  10.468  -5.017
  215    H    MET  29           H        MET  29  11.350   6.715  -1.264
  216    HA   MET  29           HA       MET  29  12.434   5.120  -3.380
  217   1HB   MET  29          2HB       MET  29  13.074   5.239  -0.841
  218   2HB   MET  29          1HB       MET  29  11.773   4.092  -0.595
  219   1HG   MET  29          2HG       MET  29  13.316   3.154  -2.753
  220   2HG   MET  29          1HG       MET  29  14.489   3.809  -1.603
  221   1HE   MET  29          3HE       MET  29  14.455   1.180  -2.546
  222   2HE   MET  29          2HE       MET  29  15.424   0.965  -1.105
  223   3HE   MET  29          1HE       MET  29  14.115  -0.177  -1.452
  224    H    LEU  30           H        LEU  30   9.886   4.547  -0.998
  225    HA   LEU  30           HA       LEU  30   8.721   2.260  -2.265
  226   1HB   LEU  30          2HB       LEU  30   7.993   4.089   0.003
  227   2HB   LEU  30          1HB       LEU  30   6.726   3.044  -0.712
  228    HG   LEU  30           HG       LEU  30   9.333   1.714  -0.197
  229   1HD1  LEU  30          3HD1      LEU  30   8.793   3.423   1.789
  230   2HD1  LEU  30          2HD1      LEU  30   7.784   2.088   2.286
  231   3HD1  LEU  30          1HD1      LEU  30   9.521   1.805   1.999
  232   1HD2  LEU  30          1HD2      LEU  30   6.859   0.894  -0.804
  233   2HD2  LEU  30          3HD2      LEU  30   7.990  -0.071   0.175
  234   3HD2  LEU  30          2HD2      LEU  30   6.684   0.894   0.929
  235    H    SER  31           H        SER  31   8.423   5.701  -2.659
  236    HA   SER  31           HA       SER  31   5.912   5.851  -4.061
  237   1HB   SER  31          2HB       SER  31   6.914   7.939  -3.236
  238   2HB   SER  31          1HB       SER  31   8.419   7.495  -4.082
  239    HG   SER  31           HG       SER  31   6.975   9.015  -5.140
  240    H    MET  32           H        MET  32   9.349   5.555  -5.048
  241    HA   MET  32           HA       MET  32   8.900   5.520  -7.892
  242   1HB   MET  32          2HB       MET  32  11.120   5.015  -6.011
  243   2HB   MET  32          1HB       MET  32  11.194   4.204  -7.548
  244   1HG   MET  32          2HG       MET  32  10.678   6.445  -8.683
  245   2HG   MET  32          1HG       MET  32  10.832   7.164  -7.111
  246   1HE   MET  32          2HE       MET  32  12.352   6.062 -10.197
  247   2HE   MET  32          1HE       MET  32  12.864   7.718  -9.870
  248   3HE   MET  32          3HE       MET  32  14.057   6.423 -10.010
  249    H    LEU  33           H        LEU  33   9.084   3.072  -5.323
  250    HA   LEU  33           HA       LEU  33   9.326   0.713  -6.964
  251   1HB   LEU  33          2HB       LEU  33   8.840   1.429  -4.138
  252   2HB   LEU  33          1HB       LEU  33   8.290  -0.164  -4.683
  253    HG   LEU  33           HG       LEU  33  11.052   0.839  -5.341
  254   1HD1  LEU  33          3HD1      LEU  33  10.862   1.160  -2.918
  255   2HD1  LEU  33          2HD1      LEU  33  10.367  -0.534  -2.758
  256   3HD1  LEU  33          1HD1      LEU  33  12.004  -0.121  -3.302
  257   1HD2  LEU  33          3HD2      LEU  33   9.806  -1.873  -4.890
  258   2HD2  LEU  33          2HD2      LEU  33  10.532  -1.254  -6.385
  259   3HD2  LEU  33          1HD2      LEU  33  11.546  -1.713  -4.991
  260    H    PHE  34           H        PHE  34   6.849   2.616  -5.396
  261    HA   PHE  34           HA       PHE  34   4.790   0.729  -6.217
  262   1HB   PHE  34          2HB       PHE  34   4.688   3.308  -4.659
  263   2HB   PHE  34          1HB       PHE  34   3.196   2.748  -5.421
  264    HD1  PHE  34           HD2      PHE  34   3.421  -0.218  -5.284
  265    HD2  PHE  34           HD1      PHE  34   4.441   2.863  -2.465
  266    HE1  PHE  34           HE2      PHE  34   3.085  -1.815  -3.470
  267    HE2  PHE  34           HE1      PHE  34   4.092   1.267  -0.635
  268    HZ   PHE  34           HZ       PHE  34   3.424  -1.079  -1.112
  269    H    ASN  35           H        ASN  35   6.336   3.517  -7.370
  270    HA   ASN  35           HA       ASN  35   4.478   4.420  -9.361
  271   1HB   ASN  35          2HB       ASN  35   7.230   4.982  -8.641
  272   2HB   ASN  35          1HB       ASN  35   6.934   5.058 -10.386
  273   1HD2  ASN  35          1HD2      ASN  35   5.560   8.045  -8.100
  274   2HD2  ASN  35          2HD2      ASN  35   6.660   6.895  -7.509
  275    H    GLN  36           H        GLN  36   7.119   2.155  -9.338
  276    HA   GLN  36           HA       GLN  36   7.825   1.249 -11.680
  277   1HB   GLN  36          2HB       GLN  36   6.692  -0.217  -9.384
  278   2HB   GLN  36          1HB       GLN  36   6.862  -1.174 -10.816
  279   1HG   GLN  36          2HG       GLN  36   9.241  -0.295 -11.034
  280   2HG   GLN  36          1HG       GLN  36   9.104   0.327  -9.395
  281   1HE2  GLN  36          2HE2      GLN  36   8.695  -3.143  -8.074
  282   2HE2  GLN  36          1HE2      GLN  36   7.900  -1.687  -7.877
  283    H    PHE  37           H        PHE  37   4.597   0.794 -10.490
  284    HA   PHE  37           HA       PHE  37   3.633  -0.676 -12.764
  285   1HB   PHE  37          2HB       PHE  37   2.282   0.220 -10.211
  286   2HB   PHE  37          1HB       PHE  37   1.428  -0.585 -11.471
  287    HD1  PHE  37           HD1      PHE  37   4.209  -0.860  -9.107
  288    HD2  PHE  37           HD2      PHE  37   2.029  -2.946 -12.125
  289    HE1  PHE  37           HE1      PHE  37   5.336  -2.924  -8.387
  290    HE2  PHE  37           HE2      PHE  37   3.147  -5.057 -11.418
  291    HZ   PHE  37           HZ       PHE  37   4.795  -5.077  -9.568
  292    HA   PRO  38           HA       PRO  38   2.021   2.700 -15.263
  293   1HB   PRO  38          2HB       PRO  38   0.760   1.206 -17.093
  294   2HB   PRO  38          1HB       PRO  38   2.544   1.085 -16.951
  295   1HG   PRO  38          2HG       PRO  38   0.530  -0.704 -15.586
  296   2HG   PRO  38          1HG       PRO  38   1.856  -1.199 -16.677
  297   1HD   PRO  38          2HD       PRO  38   2.343  -1.204 -14.067
  298   2HD   PRO  38          1HD       PRO  38   3.559  -0.464 -15.155
  299    H    GLY  39           H        GLY  39   0.750   3.284 -13.410
  300   1HA   GLY  39          2HA       GLY  39  -1.911   3.676 -13.646
  301   2HA   GLY  39          1HA       GLY  39  -1.880   2.013 -13.000
  302    H    PHE  40           H        PHE  40   0.674   2.821 -11.564
  303    HA   PHE  40           HA       PHE  40   0.251   3.127  -8.954
  304   1HB   PHE  40          2HB       PHE  40   2.527   3.526  -9.602
  305   2HB   PHE  40          1HB       PHE  40   2.033   4.599 -10.886
  306    HD1  PHE  40           HD2      PHE  40   2.316   4.237  -7.250
  307    HD2  PHE  40           HD1      PHE  40   2.003   6.934 -10.575
  308    HE1  PHE  40           HE2      PHE  40   2.795   6.210  -5.755
  309    HE2  PHE  40           HE1      PHE  40   2.469   8.886  -9.069
  310    HZ   PHE  40           HZ       PHE  40   2.871   8.460  -6.607
  311    H    LYS  41           H        LYS  41  -1.078   4.386  -7.694
  312    HA   LYS  41           HA       LYS  41  -1.908   7.036  -8.922
  313   1HB   LYS  41          2HB       LYS  41  -3.475   4.926  -8.225
  314   2HB   LYS  41          1HB       LYS  41  -3.750   6.068  -6.917
  315   1HG   LYS  41          2HG       LYS  41  -3.706   7.446  -9.471
  316   2HG   LYS  41          1HG       LYS  41  -4.907   6.170  -9.467
  317   1HD   LYS  41          2HD       LYS  41  -6.063   6.999  -7.620
  318   2HD   LYS  41          1HD       LYS  41  -4.657   7.921  -7.040
  319   1HE   LYS  41          2HE       LYS  41  -4.839   9.517  -8.769
  320   2HE   LYS  41          1HE       LYS  41  -6.193   8.629  -9.529
  321   1HZ   LYS  41          3HZ       LYS  41  -7.142   8.992  -7.107
  322   2HZ   LYS  41          2HZ       LYS  41  -6.142  10.382  -7.255
  323   3HZ   LYS  41          1HZ       LYS  41  -7.400  10.073  -8.375
  324    H    GLU  42           H        GLU  42  -1.682   5.639  -5.564
  325    HA   GLU  42           HA       GLU  42  -0.641   8.272  -4.762
  326   1HB   GLU  42          2HB       GLU  42  -3.159   8.148  -4.446
  327   2HB   GLU  42          1HB       GLU  42  -2.874   6.908  -3.201
  328   1HG   GLU  42          2HG       GLU  42  -1.604   8.411  -1.848
  329   2HG   GLU  42          1HG       GLU  42  -1.499   9.621  -3.115
  330    H    VAL  43           H        VAL  43   0.519   8.284  -2.970
  331    HA   VAL  43           HA       VAL  43   1.315   5.795  -1.650
  332    HB   VAL  43           HB       VAL  43   3.700   6.522  -1.815
  333   1HG1  VAL  43          2HG1      VAL  43   2.084   5.295  -3.996
  334   2HG1  VAL  43          1HG1      VAL  43   3.794   5.593  -4.261
  335   3HG1  VAL  43          3HG1      VAL  43   3.289   4.526  -2.939
  336   1HG2  VAL  43          3HG2      VAL  43   2.389   8.327  -3.869
  337   2HG2  VAL  43          2HG2      VAL  43   3.701   8.652  -2.728
  338   3HG2  VAL  43          1HG2      VAL  43   3.999   7.672  -4.180
  339    H    ARG  44           H        ARG  44   1.213   6.176   0.412
  340    HA   ARG  44           HA       ARG  44   1.474   8.896   1.457
  341   1HB   ARG  44          2HB       ARG  44  -0.812   7.314   1.467
  342   2HB   ARG  44          1HB       ARG  44  -0.153   7.228   3.133
  343   1HG   ARG  44          2HG       ARG  44   0.014   9.932   2.128
  344   2HG   ARG  44          1HG       ARG  44  -1.647   9.296   1.988
  345   1HD   ARG  44          2HD       ARG  44  -1.551  10.256   4.158
  346   2HD   ARG  44          1HD       ARG  44  -1.395   8.527   4.421
  347    HE   ARG  44           HE       ARG  44   1.125   8.968   4.460
  348   1HH1  ARG  44          2HH1      ARG  44   0.097  11.935   3.954
  349   2HH1  ARG  44          1HH1      ARG  44   0.495  12.688   5.458
  350   1HH2  ARG  44          1HH2      ARG  44   1.083   9.614   7.009
  351   2HH2  ARG  44          2HH2      ARG  44   1.057  11.328   7.193
  352    H    LEU  45           H        LEU  45   3.476   8.736   2.100
  353    HA   LEU  45           HA       LEU  45   4.238   6.929   4.303
  354   1HB   LEU  45          2HB       LEU  45   5.353   7.162   1.608
  355   2HB   LEU  45          1HB       LEU  45   6.559   7.258   2.901
  356    HG   LEU  45           HG       LEU  45   4.410   5.153   2.688
  357   1HD1  LEU  45          2HD1      LEU  45   7.175   5.338   1.538
  358   2HD1  LEU  45          1HD1      LEU  45   6.583   3.741   1.984
  359   3HD1  LEU  45          3HD1      LEU  45   5.693   4.748   0.810
  360   1HD2  LEU  45          2HD2      LEU  45   5.807   5.810   4.871
  361   2HD2  LEU  45          1HD2      LEU  45   5.294   4.150   4.540
  362   3HD2  LEU  45          3HD2      LEU  45   6.959   4.653   4.151
  363    H    VAL  46           H        VAL  46   3.977   9.033   5.727
  364    HA   VAL  46           HA       VAL  46   5.482  11.265   4.704
  365    HB   VAL  46           HB       VAL  46   3.151  11.003   6.360
  366   1HG1  VAL  46          3HG1      VAL  46   5.382  12.768   7.392
  367   2HG1  VAL  46          2HG1      VAL  46   3.673  13.164   7.639
  368   3HG1  VAL  46          1HG1      VAL  46   4.310  11.672   8.294
  369   1HG2  VAL  46          2HG2      VAL  46   4.463  13.024   4.637
  370   2HG2  VAL  46          1HG2      VAL  46   2.869  12.305   4.483
  371   3HG2  VAL  46          3HG2      VAL  46   3.172  13.551   5.720
  372    HA   PRO  47           HA       PRO  47   8.986  10.452   7.300
  373   1HB   PRO  47          2HB       PRO  47   9.385  13.351   7.472
  374   2HB   PRO  47          1HB       PRO  47  10.473  12.134   6.756
  375   1HG   PRO  47          2HG       PRO  47   8.741  13.842   5.388
  376   2HG   PRO  47          1HG       PRO  47   9.554  12.418   4.647
  377   1HD   PRO  47          2HD       PRO  47   6.775  12.975   5.245
  378   2HD   PRO  47          1HD       PRO  47   7.442  11.580   4.315
  379    H    GLY  48           H        GLY  48   9.766  11.133   9.417
  380   1HA   GLY  48          2HA       GLY  48   9.218  11.817  11.735
  381   2HA   GLY  48          1HA       GLY  48   7.604  12.162  11.209
  382    H    ARG  49           H        ARG  49   7.935   9.604   9.556
  383    HA   ARG  49           HA       ARG  49   7.673   7.351  11.456
  384   1HB   ARG  49          2HB       ARG  49   5.653   7.747   9.240
  385   2HB   ARG  49          1HB       ARG  49   5.665   6.597  10.530
  386   1HG   ARG  49          2HG       ARG  49   4.479   8.104  11.838
  387   2HG   ARG  49          1HG       ARG  49   5.605   9.422  11.461
  388   1HD   ARG  49          2HD       ARG  49   4.422   9.195   9.080
  389   2HD   ARG  49          1HD       ARG  49   3.109   8.615  10.049
  390    HE   ARG  49           HE       ARG  49   4.460  11.283  10.340
  391   1HH1  ARG  49          2HH2      ARG  49   2.345   9.720  12.210
  392   2HH1  ARG  49          1HH2      ARG  49   0.981  10.769  12.011
  393   1HH2  ARG  49          2HH1      ARG  49   2.475  12.478   9.328
  394   2HH2  ARG  49          1HH1      ARG  49   1.090  12.358  10.314
  395    H    HIS  50           H        HIS  50   7.080   8.024   8.014
  396    HA   HIS  50           HA       HIS  50   7.928   7.158   6.152
  397   1HB   HIS  50          2HB       HIS  50  10.309   5.952   7.575
  398   2HB   HIS  50          1HB       HIS  50  10.221   6.485   5.907
  399    HD1  HIS  50           HD1      HIS  50  10.876   7.933   9.343
  400    HD2  HIS  50           HD2      HIS  50  10.785   9.088   5.355
  401    HE1  HIS  50           HE1      HIS  50  11.949  10.182   9.259
  402    HE2  HIS  50           HE2      HIS  50  11.927  10.954   6.857
  403    H    ASP  51           H        ASP  51   6.600   5.821   8.535
  404    HA   ASP  51           HA       ASP  51   7.303   3.026   7.927
  405   1HB   ASP  51          2HB       ASP  51   7.662   4.308  10.317
  406   2HB   ASP  51          1HB       ASP  51   6.000   3.695  10.507
  407    H    ILE  52           H        ILE  52   4.749   4.894   7.221
  408    HA   ILE  52           HA       ILE  52   2.843   2.680   7.564
  409    HB   ILE  52           HB       ILE  52   0.966   4.236   7.854
  410   1HG1  ILE  52          2HG1      ILE  52   2.208   6.438   9.096
  411   2HG1  ILE  52          1HG1      ILE  52   3.056   6.241   7.535
  412   1HG2  ILE  52          1HG2      ILE  52   2.605   3.182   9.750
  413   2HG2  ILE  52          3HG2      ILE  52   2.594   4.884  10.192
  414   3HG2  ILE  52          2HG2      ILE  52   1.080   3.956  10.099
  415   1HD1  ILE  52          2HD1      ILE  52   0.124   5.924   7.525
  416   2HD1  ILE  52          1HD1      ILE  52   0.658   7.545   7.927
  417   3HD1  ILE  52          3HD1      ILE  52   1.143   6.812   6.371
  418    H    ALA  53           H        ALA  53   2.342   2.053   5.579
  419    HA   ALA  53           HA       ALA  53   2.742   3.943   3.330
  420   1HB   ALA  53          3HB       ALA  53   3.957   1.536   3.650
  421   2HB   ALA  53          2HB       ALA  53   2.514   1.008   2.828
  422   3HB   ALA  53          1HB       ALA  53   3.599   2.238   2.099
  423    H    PHE  54           H        PHE  54   0.988   4.672   2.503
  424    HA   PHE  54           HA       PHE  54  -1.351   3.025   2.126
  425   1HB   PHE  54          2HB       PHE  54  -1.235   5.656   3.171
  426   2HB   PHE  54          1HB       PHE  54  -2.011   5.778   1.612
  427    HD1  PHE  54           HD2      PHE  54  -3.972   4.249   1.064
  428    HD2  PHE  54           HD1      PHE  54  -2.450   4.913   5.021
  429    HE1  PHE  54           HE2      PHE  54  -6.181   3.486   2.058
  430    HE2  PHE  54           HE1      PHE  54  -4.574   4.175   5.996
  431    HZ   PHE  54           HZ       PHE  54  -6.454   3.451   4.480
  432    H    VAL  55           H        VAL  55  -1.315   2.116   0.275
  433    HA   VAL  55           HA       VAL  55  -0.227   3.518  -2.120
  434    HB   VAL  55           HB       VAL  55  -0.571   0.569  -1.570
  435   1HG1  VAL  55          3HG1      VAL  55   0.390   2.210  -3.741
  436   2HG1  VAL  55          2HG1      VAL  55   1.725   1.242  -3.155
  437   3HG1  VAL  55          1HG1      VAL  55   0.246   0.428  -3.695
  438   1HG2  VAL  55          3HG2      VAL  55   0.715   1.492   0.268
  439   2HG2  VAL  55          2HG2      VAL  55   1.705   0.541  -0.789
  440   3HG2  VAL  55          1HG2      VAL  55   1.762   2.326  -0.923
  441    H    GLU  56           H        GLU  56  -1.841   4.276  -3.177
  442    HA   GLU  56           HA       GLU  56  -4.333   2.878  -3.845
  443   1HB   GLU  56          2HB       GLU  56  -4.166   5.326  -2.983
  444   2HB   GLU  56          1HB       GLU  56  -3.488   5.658  -4.599
  445   1HG   GLU  56          2HG       GLU  56  -5.618   4.677  -5.558
  446   2HG   GLU  56          1HG       GLU  56  -6.165   4.539  -3.873
  447    H    PHE  57           H        PHE  57  -3.990   1.571  -5.505
  448    HA   PHE  57           HA       PHE  57  -2.344   2.282  -7.865
  449   1HB   PHE  57          2HB       PHE  57  -2.957  -0.184  -6.264
  450   2HB   PHE  57          1HB       PHE  57  -2.973  -0.377  -8.010
  451    HD1  PHE  57           HD1      PHE  57  -0.888   1.090  -5.289
  452    HD2  PHE  57           HD2      PHE  57  -0.965  -0.939  -9.061
  453    HE1  PHE  57           HE1      PHE  57   1.569   0.840  -5.292
  454    HE2  PHE  57           HE2      PHE  57   1.426  -1.167  -9.034
  455    HZ   PHE  57           HZ       PHE  57   2.766  -0.258  -7.119
  456    H    ASP  58           H        ASP  58  -3.717   3.138  -9.281
  457    HA   ASP  58           HA       ASP  58  -6.218   3.362  -9.879
  458   1HB   ASP  58          2HB       ASP  58  -4.509   3.960 -11.431
  459   2HB   ASP  58          1HB       ASP  58  -4.219   2.250 -11.825
  460    H    ASN  59           H        ASN  59  -4.749   0.094 -10.472
  461    HA   ASN  59           HA       ASN  59  -7.421  -0.961  -9.917
  462   1HB   ASN  59          2HB       ASN  59  -7.615  -2.300 -11.908
  463   2HB   ASN  59          1HB       ASN  59  -7.273  -0.664 -12.454
  464   1HD2  ASN  59          2HD2      ASN  59  -4.580  -1.779 -14.330
  465   2HD2  ASN  59          1HD2      ASN  59  -5.868  -0.672 -14.166
  466    H    GLU  60           H        GLU  60  -7.497  -2.999  -9.195
  467    HA   GLU  60           HA       GLU  60  -5.403  -3.824  -7.535
  468   1HB   GLU  60          2HB       GLU  60  -6.709  -5.745  -6.999
  469   2HB   GLU  60          1HB       GLU  60  -7.675  -4.265  -7.051
  470   1HG   GLU  60          2HG       GLU  60  -7.524  -6.185  -9.422
  471   2HG   GLU  60          1HG       GLU  60  -8.603  -6.492  -8.069
  472    H    VAL  61           H        VAL  61  -5.636  -4.664 -10.957
  473    HA   VAL  61           HA       VAL  61  -4.111  -7.154 -10.811
  474    HB   VAL  61           HB       VAL  61  -4.224  -5.028 -13.040
  475   1HG1  VAL  61          3HG1      VAL  61  -3.170  -7.839 -12.862
  476   2HG1  VAL  61          2HG1      VAL  61  -3.719  -7.218 -14.405
  477   3HG1  VAL  61          1HG1      VAL  61  -2.383  -6.442 -13.572
  478   1HG2  VAL  61          2HG2      VAL  61  -6.233  -6.871 -12.065
  479   2HG2  VAL  61          1HG2      VAL  61  -6.316  -5.786 -13.441
  480   3HG2  VAL  61          3HG2      VAL  61  -5.651  -7.423 -13.631
  481    H    GLN  62           H        GLN  62  -3.493  -3.765 -11.272
  482    HA   GLN  62           HA       GLN  62  -0.583  -4.054 -11.127
  483   1HB   GLN  62          2HB       GLN  62  -1.734  -1.347 -10.750
  484   2HB   GLN  62          1HB       GLN  62  -0.288  -1.889 -11.581
  485   1HG   GLN  62          2HG       GLN  62  -1.407  -2.058 -13.580
  486   2HG   GLN  62          1HG       GLN  62  -2.766  -2.784 -12.854
  487   1HE2  GLN  62          1HE2      GLN  62  -3.388   0.819 -14.013
  488   2HE2  GLN  62          2HE2      GLN  62  -2.518  -0.450 -14.736
  489    H    ALA  63           H        ALA  63  -3.151  -3.203  -8.776
  490    HA   ALA  63           HA       ALA  63  -1.323  -2.230  -6.773
  491   1HB   ALA  63          2HB       ALA  63  -4.062  -2.079  -6.964
  492   2HB   ALA  63          1HB       ALA  63  -3.910  -3.628  -6.135
  493   3HB   ALA  63          3HB       ALA  63  -3.234  -2.215  -5.379
  494    H    GLY  64           H        GLY  64  -2.855  -5.177  -7.722
  495   1HA   GLY  64          2HA       GLY  64  -1.862  -6.776  -5.587
  496   2HA   GLY  64          1HA       GLY  64  -2.617  -7.359  -7.089
  497    H    ALA  65           H        ALA  65  -0.763  -5.998  -8.852
  498    HA   ALA  65           HA       ALA  65   1.290  -7.944  -9.058
  499   1HB   ALA  65          3HB       ALA  65   0.450  -6.770 -11.034
  500   2HB   ALA  65          2HB       ALA  65   1.165  -5.248 -10.419
  501   3HB   ALA  65          1HB       ALA  65   2.180  -6.639 -10.912
  502    H    ALA  66           H        ALA  66   1.502  -4.351  -8.273
  503    HA   ALA  66           HA       ALA  66   4.151  -4.339  -7.287
  504   1HB   ALA  66          2HB       ALA  66   1.671  -2.723  -7.094
  505   2HB   ALA  66          1HB       ALA  66   2.700  -2.508  -5.714
  506   3HB   ALA  66          3HB       ALA  66   3.319  -2.120  -7.333
  507    H    ARG  67           H        ARG  67   1.148  -4.690  -5.436
  508    HA   ARG  67           HA       ARG  67   2.154  -4.974  -2.889
  509   1HB   ARG  67          2HB       ARG  67  -0.302  -4.929  -3.486
  510   2HB   ARG  67          1HB       ARG  67  -0.165  -6.664  -3.852
  511   1HG   ARG  67          2HG       ARG  67   0.883  -5.660  -1.239
  512   2HG   ARG  67          1HG       ARG  67  -0.871  -5.867  -1.418
  513   1HD   ARG  67          2HD       ARG  67   0.439  -8.167  -2.532
  514   2HD   ARG  67          1HD       ARG  67   1.072  -7.867  -0.940
  515    HE   ARG  67           HE       ARG  67  -1.711  -8.539  -1.613
  516   1HH1  ARG  67          2HH1      ARG  67  -2.026  -6.334   0.386
  517   2HH1  ARG  67          1HH1      ARG  67  -1.903  -7.163   1.883
  518   1HH2  ARG  67          2HH2      ARG  67  -0.502 -10.013   0.499
  519   2HH2  ARG  67          1HH2      ARG  67  -1.016  -9.287   1.960
  520    H    ASP  68           H        ASP  68   1.257  -7.672  -5.073
  521    HA   ASP  68           HA       ASP  68   2.511  -9.679  -3.508
  522   1HB   ASP  68          2HB       ASP  68   0.665  -9.904  -5.308
  523   2HB   ASP  68          1HB       ASP  68   1.971  -9.962  -6.498
  524    H    ALA  69           H        ALA  69   3.881  -7.509  -5.866
  525    HA   ALA  69           HA       ALA  69   6.194  -9.151  -6.451
  526   1HB   ALA  69          3HB       ALA  69   5.412  -7.420  -8.013
  527   2HB   ALA  69          2HB       ALA  69   5.789  -6.171  -6.823
  528   3HB   ALA  69          1HB       ALA  69   7.085  -7.143  -7.523
  529    H    LEU  70           H        LEU  70   5.316  -6.611  -4.191
  530    HA   LEU  70           HA       LEU  70   7.959  -6.994  -2.827
  531   1HB   LEU  70          2HB       LEU  70   7.352  -4.858  -1.558
  532   2HB   LEU  70          1HB       LEU  70   7.833  -4.642  -3.238
  533    HG   LEU  70           HG       LEU  70   4.976  -5.058  -2.918
  534   1HD1  LEU  70          2HD1      LEU  70   6.335  -2.999  -1.230
  535   2HD1  LEU  70          1HD1      LEU  70   4.907  -2.497  -2.171
  536   3HD1  LEU  70          3HD1      LEU  70   4.779  -3.817  -1.017
  537   1HD2  LEU  70          2HD2      LEU  70   6.168  -4.178  -4.940
  538   2HD2  LEU  70          1HD2      LEU  70   5.058  -2.970  -4.384
  539   3HD2  LEU  70          3HD2      LEU  70   6.742  -2.800  -3.966
  540    H    GLN  71           H        GLN  71   5.276  -8.549  -2.730
  541    HA   GLN  71           HA       GLN  71   4.271  -8.005  -0.071
  542   1HB   GLN  71          2HB       GLN  71   2.689  -9.103  -1.671
  543   2HB   GLN  71          1HB       GLN  71   3.866 -10.416  -1.871
  544   1HG   GLN  71          2HG       GLN  71   1.771 -10.621  -0.284
  545   2HG   GLN  71          1HG       GLN  71   3.334 -11.292   0.189
  546   1HE2  GLN  71          1HE2      GLN  71   3.343  -8.992   3.003
  547   2HE2  GLN  71          2HE2      GLN  71   3.898 -10.502   2.472
  548    H    GLY  72           H        GLY  72   6.604  -8.014   0.705
  549   1HA   GLY  72          2HA       GLY  72   7.179  -9.973   2.562
  550   2HA   GLY  72          1HA       GLY  72   7.891 -10.621   1.105
  551    H    PHE  73           H        PHE  73   7.706  -7.106   1.953
  552    HA   PHE  73           HA       PHE  73  10.509  -6.959   1.296
  553   1HB   PHE  73          2HB       PHE  73   8.561  -5.127   1.137
  554   2HB   PHE  73          1HB       PHE  73   9.162  -4.720   2.752
  555    HD1  PHE  73           HD1      PHE  73  12.139  -5.551   2.128
  556    HD2  PHE  73           HD2      PHE  73   9.243  -3.136   0.074
  557    HE1  PHE  73           HE1      PHE  73  13.976  -4.320   1.051
  558    HE2  PHE  73           HE2      PHE  73  11.152  -1.862  -1.037
  559    HZ   PHE  73           HZ       PHE  73  13.458  -2.499  -0.509
  560    H    LYS  74           H        LYS  74  11.059  -8.601   2.783
  561    HA   LYS  74           HA       LYS  74  10.960  -8.338   5.660
  562   1HB   LYS  74          2HB       LYS  74  13.127  -9.762   5.508
  563   2HB   LYS  74          1HB       LYS  74  11.671 -10.534   4.857
  564   1HG   LYS  74          2HG       LYS  74  12.484 -10.437   2.712
  565   2HG   LYS  74          1HG       LYS  74  13.127  -8.823   2.976
  566   1HD   LYS  74          2HD       LYS  74  15.182  -9.883   2.929
  567   2HD   LYS  74          1HD       LYS  74  14.774 -10.320   4.574
  568   1HE   LYS  74          2HE       LYS  74  13.408 -12.192   2.963
  569   2HE   LYS  74          1HE       LYS  74  14.954 -12.043   2.158
  570   1HZ   LYS  74          1HZ       LYS  74  14.779 -12.441   5.066
  571   2HZ   LYS  74          3HZ       LYS  74  14.844 -13.743   3.965
  572   3HZ   LYS  74          2HZ       LYS  74  16.116 -12.649   4.041
  573    H    ILE  75           H        ILE  75  11.363  -6.210   6.031
  574    HA   ILE  75           HA       ILE  75  13.520  -4.605   5.251
  575    HB   ILE  75           HB       ILE  75  12.516  -4.740   8.113
  576   1HG1  ILE  75          2HG1      ILE  75  10.444  -4.696   6.764
  577   2HG1  ILE  75          1HG1      ILE  75  10.702  -3.130   7.495
  578   1HG2  ILE  75          3HG2      ILE  75  13.540  -2.535   6.300
  579   2HG2  ILE  75          2HG2      ILE  75  12.766  -2.255   7.865
  580   3HG2  ILE  75          1HG2      ILE  75  14.264  -3.203   7.796
  581   1HD1  ILE  75          3HD1      ILE  75  12.153  -3.111   5.085
  582   2HD1  ILE  75          2HD1      ILE  75  10.595  -3.748   4.653
  583   3HD1  ILE  75          1HD1      ILE  75  10.736  -2.152   5.454
  584    H    THR  76           H        THR  76  13.287  -6.962   7.767
  585    HA   THR  76           HA       THR  76  16.302  -6.975   7.924
  586    HB   THR  76           HB       THR  76  14.681  -7.484  10.337
  587    HG1  THR  76          1HG       THR  76  15.418  -4.934   9.361
  588   1HG2  THR  76          1HG2      THR  76  17.396  -7.447   9.818
  589   2HG2  THR  76          3HG2      THR  76  17.137  -5.865  10.582
  590   3HG2  THR  76          2HG2      THR  76  16.638  -7.383  11.381
  591    H    GLN  77           H        GLN  77  13.441  -8.863   7.789
  592    HA   GLN  77           HA       GLN  77  13.339 -11.146   7.286
  593   1HB   GLN  77          2HB       GLN  77  14.986 -12.670   7.686
  594   2HB   GLN  77          1HB       GLN  77  16.021 -11.279   7.627
  595   1HG   GLN  77          2HG       GLN  77  16.020 -11.243  10.144
  596   2HG   GLN  77          1HG       GLN  77  14.820 -12.510  10.178
  597   1HE2  GLN  77          2HE2      GLN  77  18.270 -14.010  10.471
  598   2HE2  GLN  77          1HE2      GLN  77  17.522 -12.708  11.275
  599    H    ASN  78           H        ASN  78  13.991  -9.637  10.311
  600    HA   ASN  78           HA       ASN  78  12.050 -11.295  11.820
  601   1HB   ASN  78          2HB       ASN  78  14.382 -10.680  12.631
  602   2HB   ASN  78          1HB       ASN  78  13.698  -9.056  12.903
  603   1HD2  ASN  78          1HD2      ASN  78  11.532 -10.059  15.598
  604   2HD2  ASN  78          2HD2      ASN  78  11.712  -8.940  14.363
  605    H    ASN  79           H        ASN  79  12.460  -8.498  10.008
  606    HA   ASN  79           HA       ASN  79   9.898  -7.275  10.862
  607   1HB   ASN  79          2HB       ASN  79  12.628  -6.128  10.688
  608   2HB   ASN  79          1HB       ASN  79  11.457  -5.200   9.766
  609   1HD2  ASN  79          1HD2      ASN  79  10.401  -3.496  12.583
  610   2HD2  ASN  79          2HD2      ASN  79  10.844  -3.483  10.939
  611    H    ALA  80           H        ALA  80   8.439  -7.351   9.113
  612    HA   ALA  80           HA       ALA  80   9.623  -7.194   6.422
  613   1HB   ALA  80          3HB       ALA  80   7.717  -9.338   7.355
  614   2HB   ALA  80          2HB       ALA  80   8.031  -8.975   5.672
  615   3HB   ALA  80          1HB       ALA  80   9.349  -9.567   6.720
  616    H    MET  81           H        MET  81   8.602  -5.675   5.365
  617    HA   MET  81           HA       MET  81   6.704  -3.914   5.999
  618   1HB   MET  81          2HB       MET  81   7.736  -3.571   3.949
  619   2HB   MET  81          1HB       MET  81   7.461  -5.271   3.472
  620   1HG   MET  81          2HG       MET  81   5.188  -4.863   2.970
  621   2HG   MET  81          1HG       MET  81   5.244  -3.199   3.590
  622   1HE   MET  81          2HE       MET  81   7.279  -1.871   3.072
  623   2HE   MET  81          1HE       MET  81   8.192  -1.828   1.565
  624   3HE   MET  81          3HE       MET  81   6.602  -1.086   1.633
  625    H    LYS  82           H        LYS  82   4.336  -3.893   6.360
  626    HA   LYS  82           HA       LYS  82   2.763  -6.187   5.285
  627   1HB   LYS  82          2HB       LYS  82   3.275  -5.169   7.988
  628   2HB   LYS  82          1HB       LYS  82   1.562  -5.383   7.599
  629   1HG   LYS  82          2HG       LYS  82   3.401  -7.634   6.841
  630   2HG   LYS  82          1HG       LYS  82   3.053  -7.432   8.539
  631   1HD   LYS  82          2HD       LYS  82   1.147  -8.555   8.199
  632   2HD   LYS  82          1HD       LYS  82   0.561  -7.096   7.428
  633   1HE   LYS  82          2HE       LYS  82   0.171  -8.495   5.727
  634   2HE   LYS  82          1HE       LYS  82   1.806  -8.034   5.321
  635   1HZ   LYS  82          1HZ       LYS  82   2.422 -10.069   6.794
  636   2HZ   LYS  82          3HZ       LYS  82   0.814 -10.551   6.533
  637   3HZ   LYS  82          2HZ       LYS  82   1.864 -10.334   5.205
  638    H    ILE  83           H        ILE  83   1.484  -5.467   3.929
  639    HA   ILE  83           HA       ILE  83   0.287  -2.750   3.789
  640    HB   ILE  83           HB       ILE  83   1.592  -4.506   1.721
  641   1HG1  ILE  83          2HG1      ILE  83   1.661  -1.484   2.157
  642   2HG1  ILE  83          1HG1      ILE  83   2.804  -2.596   2.913
  643   1HG2  ILE  83          1HG2      ILE  83  -0.762  -2.753   1.423
  644   2HG2  ILE  83          3HG2      ILE  83   0.545  -2.482   0.250
  645   3HG2  ILE  83          2HG2      ILE  83  -0.193  -4.095   0.436
  646   1HD1  ILE  83          2HD1      ILE  83   2.442  -2.489  -0.045
  647   2HD1  ILE  83          1HD1      ILE  83   3.682  -1.552   0.786
  648   3HD1  ILE  83          3HD1      ILE  83   3.731  -3.300   0.845
  649    H    SER  84           H        SER  84  -1.827  -2.958   3.898
  650    HA   SER  84           HA       SER  84  -3.169  -5.542   3.456
  651   1HB   SER  84          2HB       SER  84  -2.968  -4.284   5.808
  652   2HB   SER  84          1HB       SER  84  -4.422  -3.475   5.163
  653    HG   SER  84           HG       SER  84  -4.413  -5.668   6.326
  654    H    PHE  85           H        PHE  85  -3.968  -5.305   1.393
  655    HA   PHE  85           HA       PHE  85  -4.889  -3.202  -0.107
  656   1HB   PHE  85          2HB       PHE  85  -6.842  -5.005  -0.567
  657   2HB   PHE  85          1HB       PHE  85  -5.292  -4.979  -1.361
  658    HD1  PHE  85           HD2      PHE  85  -7.088  -6.322   1.612
  659    HD2  PHE  85           HD1      PHE  85  -3.880  -6.778  -1.178
  660    HE1  PHE  85           HE2      PHE  85  -6.575  -8.624   2.520
  661    HE2  PHE  85           HE1      PHE  85  -3.386  -9.094  -0.265
  662    HZ   PHE  85           HZ       PHE  85  -4.757  -9.948   1.566
  663    H    ALA  86           H        ALA  86  -7.201  -2.676  -0.576
  664    HA   ALA  86           HA       ALA  86  -8.467  -1.573   1.736
  665   1HB   ALA  86          1HB       ALA  86  -9.458  -1.980  -1.073
  666   2HB   ALA  86          3HB       ALA  86 -10.271  -0.972   0.165
  667   3HB   ALA  86          2HB       ALA  86  -8.650  -0.561  -0.463
  668    H    LYS  87           H        LYS  87  -8.485  -4.813   1.039
  669    HA   LYS  87           HA       LYS  87  -9.644  -6.564   1.871
  670   1HB   LYS  87          2HB       LYS  87 -10.775  -4.387   3.495
  671   2HB   LYS  87          1HB       LYS  87 -11.858  -5.755   3.229
  672   1HG   LYS  87          2HG       LYS  87 -10.106  -7.259   4.042
  673   2HG   LYS  87          1HG       LYS  87  -9.003  -5.893   4.241
  674   1HD   LYS  87          2HD       LYS  87 -11.194  -5.009   5.632
  675   2HD   LYS  87          1HD       LYS  87 -11.182  -6.733   6.003
  676   1HE   LYS  87          2HE       LYS  87  -8.704  -4.953   6.227
  677   2HE   LYS  87          1HE       LYS  87  -9.739  -5.376   7.571
  678   1HZ   LYS  87          1HZ       LYS  87  -9.352  -7.766   6.972
  679   2HZ   LYS  87          3HZ       LYS  87  -8.209  -7.216   5.875
  680   3HZ   LYS  87          2HZ       LYS  87  -7.980  -6.929   7.541
  681    H    LYS  88           H        LYS  88 -11.616  -7.710   1.676
  682    HA   LYS  88           HA       LYS  88 -13.690  -8.203   0.775
  683   1HB   LYS  88          2HB       LYS  88 -14.208  -5.871  -0.132
  684   2HB   LYS  88          1HB       LYS  88 -13.068  -6.224  -1.466
  685   1HG   LYS  88          2HG       LYS  88 -15.692  -6.589  -1.626
  686   2HG   LYS  88          1HG       LYS  88 -14.552  -7.560  -2.549
  687   1HD   LYS  88          2HD       LYS  88 -14.712  -9.367  -0.875
  688   2HD   LYS  88          1HD       LYS  88 -15.565  -8.247   0.208
  689   1HE   LYS  88          2HE       LYS  88 -17.366  -9.412  -0.598
  690   2HE   LYS  88          1HE       LYS  88 -17.339  -8.076  -1.741
  691   1HZ   LYS  88          1HZ       LYS  88 -16.082 -10.776  -2.081
  692   2HZ   LYS  88          3HZ       LYS  88 -17.537 -10.235  -2.780
  693   3HZ   LYS  88          2HZ       LYS  88 -16.033  -9.561  -3.240
   
  No H/Q in entry =         693
  Start of MODEL   14
    1   1H    MET   1          3H        MET   1 -25.429  10.675  -0.166
    2   2H    MET   1          2H        MET   1 -23.788  10.937   0.231
    3   3H    MET   1          1H        MET   1 -24.978  11.998   0.792
    4    HA   MET   1           HA       MET   1 -24.542  13.267  -0.946
    5   1HB   MET   1          2HB       MET   1 -22.945  12.500  -2.686
    6   2HB   MET   1          1HB       MET   1 -22.363  12.055  -1.055
    7   1HG   MET   1          2HG       MET   1 -23.240   9.805  -1.292
    8   2HG   MET   1          1HG       MET   1 -23.747  10.179  -2.967
    9   1HE   MET   1          3HE       MET   1 -22.122  11.400  -4.451
   10   2HE   MET   1          2HE       MET   1 -20.971  12.215  -3.387
   11   3HE   MET   1          1HE       MET   1 -20.370  11.090  -4.608
   12    H    ALA   2           H        ALA   2 -24.615  12.493  -3.804
   13    HA   ALA   2           HA       ALA   2 -27.129  11.034  -4.011
   14   1HB   ALA   2          2HB       ALA   2 -26.746  13.934  -4.569
   15   2HB   ALA   2          1HB       ALA   2 -28.001  13.055  -5.483
   16   3HB   ALA   2          3HB       ALA   2 -28.038  13.145  -3.702
   17    HA   PRO   3           HA       PRO   3 -28.309  10.225  -5.518
   18   1HB   PRO   3          2HB       PRO   3 -28.021   7.700  -6.852
   19   2HB   PRO   3          1HB       PRO   3 -29.136   9.015  -7.247
   20   1HG   PRO   3          2HG       PRO   3 -26.972   8.373  -8.903
   21   2HG   PRO   3          1HG       PRO   3 -27.763   9.941  -8.841
   22   1HD   PRO   3          2HD       PRO   3 -25.156   9.159  -7.572
   23   2HD   PRO   3          1HD       PRO   3 -25.688  10.693  -8.344
   24    H    ALA   4           H        ALA   4 -28.434   7.283  -5.046
   25    HA   ALA   4           HA       ALA   4 -26.533   7.255  -2.815
   26   1HB   ALA   4          3HB       ALA   4 -29.005   6.588  -2.576
   27   2HB   ALA   4          2HB       ALA   4 -28.639   5.134  -3.475
   28   3HB   ALA   4          1HB       ALA   4 -27.824   5.423  -1.927
   29    H    GLN   5           H        GLN   5 -24.840   5.772  -2.616
   30    HA   GLN   5           HA       GLN   5 -24.484   3.912  -4.919
   31   1HB   GLN   5          2HB       GLN   5 -23.081   6.320  -4.641
   32   2HB   GLN   5          1HB       GLN   5 -21.986   5.161  -3.946
   33   1HG   GLN   5          2HG       GLN   5 -21.560   4.130  -5.874
   34   2HG   GLN   5          1HG       GLN   5 -23.249   4.215  -6.393
   35   1HE2  GLN   5          1HE2      GLN   5 -22.505   6.990  -8.498
   36   2HE2  GLN   5          2HE2      GLN   5 -23.443   5.612  -8.294
   37    HA   PRO   6           HA       PRO   6 -23.868   1.384  -1.172
   38   1HB   PRO   6          2HB       PRO   6 -23.010  -0.788  -2.758
   39   2HB   PRO   6          1HB       PRO   6 -24.629  -0.530  -2.068
   40   1HG   PRO   6          2HG       PRO   6 -23.678  -0.172  -4.878
   41   2HG   PRO   6          1HG       PRO   6 -25.361  -0.385  -4.284
   42   1HD   PRO   6          2HD       PRO   6 -24.256   1.999  -5.156
   43   2HD   PRO   6          1HD       PRO   6 -25.668   1.899  -4.122
   44    H    LEU   7           H        LEU   7 -21.960   1.424  -0.098
   45    HA   LEU   7           HA       LEU   7 -19.325   1.097  -1.502
   46   1HB   LEU   7          2HB       LEU   7 -18.433   2.640   0.311
   47   2HB   LEU   7          1HB       LEU   7 -19.316   3.450  -1.013
   48    HG   LEU   7           HG       LEU   7 -21.312   2.981   0.791
   49   1HD1  LEU   7          2HD1      LEU   7 -18.981   2.350   2.186
   50   2HD1  LEU   7          1HD1      LEU   7 -19.383   3.997   2.734
   51   3HD1  LEU   7          3HD1      LEU   7 -20.574   2.728   2.872
   52   1HD2  LEU   7          3HD2      LEU   7 -19.454   5.278   0.357
   53   2HD2  LEU   7          2HD2      LEU   7 -21.206   5.221   0.090
   54   3HD2  LEU   7          1HD2      LEU   7 -20.544   5.391   1.716
   55    H    SER   8           H        SER   8 -21.092   0.953   1.520
   56    HA   SER   8           HA       SER   8 -21.037  -0.570   3.272
   57   1HB   SER   8          2HB       SER   8 -18.830  -2.132   1.961
   58   2HB   SER   8          1HB       SER   8 -20.164  -2.684   2.949
   59    HG   SER   8           HG       SER   8 -21.443  -1.729   1.078
   60    H    GLU   9           H        GLU   9 -19.949  -0.663   5.182
   61    HA   GLU   9           HA       GLU   9 -17.538   0.956   5.438
   62   1HB   GLU   9          2HB       GLU   9 -19.492   0.235   7.239
   63   2HB   GLU   9          1HB       GLU   9 -18.185  -0.814   7.748
   64   1HG   GLU   9          2HG       GLU   9 -17.710   1.061   8.944
   65   2HG   GLU   9          1HG       GLU   9 -16.849   1.529   7.460
   66    H    ASN  10           H        ASN  10 -15.596   0.167   4.943
   67    HA   ASN  10           HA       ASN  10 -13.696  -1.210   4.951
   68   1HB   ASN  10          2HB       ASN  10 -15.000  -2.547   6.794
   69   2HB   ASN  10          1HB       ASN  10 -15.414  -3.616   5.475
   70   1HD2  ASN  10          2HD2      ASN  10 -11.379  -3.364   6.411
   71   2HD2  ASN  10          1HD2      ASN  10 -12.305  -1.975   6.567
   72    HA   PRO  11           HA       PRO  11 -15.316  -2.095   0.722
   73   1HB   PRO  11          2HB       PRO  11 -12.683  -0.860   0.195
   74   2HB   PRO  11          1HB       PRO  11 -14.236  -0.417  -0.475
   75   1HG   PRO  11          2HG       PRO  11 -13.026   1.246   1.319
   76   2HG   PRO  11          1HG       PRO  11 -14.789   0.927   1.501
   77   1HD   PRO  11          2HD       PRO  11 -12.395  -0.410   2.836
   78   2HD   PRO  11          1HD       PRO  11 -13.840   0.238   3.644
   79    HA   PRO  12           HA       PRO  12 -12.446  -5.457  -0.386
   80   1HB   PRO  12          2HB       PRO  12 -11.484  -4.285  -2.847
   81   2HB   PRO  12          1HB       PRO  12 -12.686  -5.603  -2.597
   82   1HG   PRO  12          2HG       PRO  12 -13.336  -3.141  -3.689
   83   2HG   PRO  12          1HG       PRO  12 -14.453  -4.210  -2.775
   84   1HD   PRO  12          2HD       PRO  12 -12.968  -1.791  -1.699
   85   2HD   PRO  12          1HD       PRO  12 -14.613  -2.335  -1.396
   86    H    ASN  13           H        ASN  13  -9.913  -5.075  -2.036
   87    HA   ASN  13           HA       ASN  13  -8.402  -3.688   0.102
   88   1HB   ASN  13          2HB       ASN  13  -7.073  -5.312  -2.061
   89   2HB   ASN  13          1HB       ASN  13  -6.481  -4.817  -0.474
   90   1HD2  ASN  13          2HD2      ASN  13  -8.517  -7.180   1.374
   91   2HD2  ASN  13          1HD2      ASN  13  -8.010  -5.566   1.402
   92    H    HIS  14           H        HIS  14  -6.522  -3.593  -2.745
   93    HA   HIS  14           HA       HIS  14  -5.841  -1.897  -4.064
   94   1HB   HIS  14          2HB       HIS  14  -7.607  -1.105  -5.340
   95   2HB   HIS  14          1HB       HIS  14  -8.606  -1.834  -4.130
   96    HD1  HIS  14           HD1      HIS  14  -7.154   1.679  -4.721
   97    HD2  HIS  14           HD2      HIS  14 -10.138  -0.244  -2.558
   98    HE1  HIS  14           HE1      HIS  14  -8.587   3.454  -3.661
   99    HE2  HIS  14           HE2      HIS  14 -10.412   2.379  -2.327
  100    H    ILE  15           H        ILE  15  -6.058  -1.895  -0.973
  101    HA   ILE  15           HA       ILE  15  -4.751   0.687  -0.657
  102    HB   ILE  15           HB       ILE  15  -7.403   0.236   0.670
  103   1HG1  ILE  15          2HG1      ILE  15  -5.738   2.443  -0.526
  104   2HG1  ILE  15          1HG1      ILE  15  -7.214   1.762  -1.202
  105   1HG2  ILE  15          2HG2      ILE  15  -5.113   1.860   1.750
  106   2HG2  ILE  15          1HG2      ILE  15  -6.725   1.877   2.416
  107   3HG2  ILE  15          3HG2      ILE  15  -5.792   0.429   2.579
  108   1HD1  ILE  15          1HD1      ILE  15  -8.025   2.689   1.308
  109   2HD1  ILE  15          3HD1      ILE  15  -6.867   3.917   0.786
  110   3HD1  ILE  15          2HD1      ILE  15  -8.286   3.496  -0.222
  111    H    LEU  16           H        LEU  16  -2.871  -0.249   0.080
  112    HA   LEU  16           HA       LEU  16  -3.008  -2.128   2.412
  113   1HB   LEU  16          2HB       LEU  16  -0.672  -1.906   0.515
  114   2HB   LEU  16          1HB       LEU  16  -1.196  -3.232   1.598
  115    HG   LEU  16           HG       LEU  16  -3.368  -2.935  -0.072
  116   1HD1  LEU  16          3HD1      LEU  16  -0.833  -2.406  -1.578
  117   2HD1  LEU  16          2HD1      LEU  16  -2.158  -3.308  -2.335
  118   3HD1  LEU  16          1HD1      LEU  16  -2.431  -1.680  -1.785
  119   1HD2  LEU  16          3HD2      LEU  16  -2.205  -5.040   0.803
  120   2HD2  LEU  16          2HD2      LEU  16  -2.751  -5.119  -0.857
  121   3HD2  LEU  16          1HD2      LEU  16  -1.053  -4.840  -0.490
  122    H    PHE  17           H        PHE  17  -2.729  -1.109   4.127
  123    HA   PHE  17           HA       PHE  17  -0.798   1.076   4.369
  124   1HB   PHE  17          2HB       PHE  17  -2.771   2.252   4.896
  125   2HB   PHE  17          1HB       PHE  17  -3.592   0.772   5.372
  126    HD1  PHE  17           HD1      PHE  17  -0.478   2.621   6.407
  127    HD2  PHE  17           HD2      PHE  17  -3.987   0.602   7.718
  128    HE1  PHE  17           HE1      PHE  17   0.159   3.065   8.737
  129    HE2  PHE  17           HE2      PHE  17  -3.359   1.040  10.073
  130    HZ   PHE  17           HZ       PHE  17  -1.291   2.271  10.603
  131    H    LEU  18           H        LEU  18   0.655   0.806   5.802
  132    HA   LEU  18           HA       LEU  18   0.676  -0.227   8.224
  133   1HB   LEU  18          2HB       LEU  18   0.827  -2.721   6.579
  134   2HB   LEU  18          1HB       LEU  18   1.689  -2.593   8.060
  135    HG   LEU  18           HG       LEU  18  -0.981  -3.060   7.666
  136   1HD1  LEU  18          3HD1      LEU  18   0.721  -4.255   9.116
  137   2HD1  LEU  18          2HD1      LEU  18   0.557  -2.927  10.229
  138   3HD1  LEU  18          1HD1      LEU  18  -0.826  -3.934   9.917
  139   1HD2  LEU  18          3HD2      LEU  18  -1.199  -0.514   8.355
  140   2HD2  LEU  18          2HD2      LEU  18  -1.898  -1.656   9.510
  141   3HD2  LEU  18          1HD2      LEU  18  -0.343  -0.948   9.807
  142    H    THR  19           H        THR  19   3.086  -1.451   8.322
  143    HA   THR  19           HA       THR  19   4.874   0.643   7.299
  144    HB   THR  19           HB       THR  19   4.868   1.811   9.328
  145    HG1  THR  19          1HG       THR  19   4.943  -0.078  11.147
  146   1HG2  THR  19          2HG2      THR  19   2.474   1.208   9.406
  147   2HG2  THR  19          1HG2      THR  19   2.926  -0.225  10.359
  148   3HG2  THR  19          3HG2      THR  19   3.206   1.407  10.964
  149    H    ASN  20           H        ASN  20   6.963   0.082   8.432
  150    HA   ASN  20           HA       ASN  20   8.334  -1.359   9.542
  151   1HB   ASN  20          2HB       ASN  20   6.611  -3.169   9.808
  152   2HB   ASN  20          1HB       ASN  20   7.087  -3.800   8.224
  153   1HD2  ASN  20          2HD2      ASN  20  10.170  -5.103   9.448
  154   2HD2  ASN  20          1HD2      ASN  20   9.326  -4.617   8.058
  155    H    LEU  21           H        LEU  21   8.403   0.236   7.196
  156    HA   LEU  21           HA       LEU  21   9.988  -1.267   5.267
  157   1HB   LEU  21          2HB       LEU  21   8.912   1.533   5.581
  158   2HB   LEU  21          1HB       LEU  21  10.028   1.163   4.252
  159    HG   LEU  21           HG       LEU  21   8.476  -0.017   3.095
  160   1HD1  LEU  21          3HD1      LEU  21   8.150  -1.672   4.898
  161   2HD1  LEU  21          2HD1      LEU  21   6.926  -0.646   5.618
  162   3HD1  LEU  21          1HD1      LEU  21   6.634  -1.324   4.013
  163   1HD2  LEU  21          2HD2      LEU  21   7.305   2.183   4.554
  164   2HD2  LEU  21          1HD2      LEU  21   6.928   1.635   2.892
  165   3HD2  LEU  21          3HD2      LEU  21   6.069   0.994   4.286
  166    HA   PRO  22           HA       PRO  22  13.987  -0.192   6.745
  167   1HB   PRO  22          2HB       PRO  22  14.630   1.245   4.291
  168   2HB   PRO  22          1HB       PRO  22  15.353  -0.232   4.971
  169   1HG   PRO  22          2HG       PRO  22  13.669  -0.224   2.737
  170   2HG   PRO  22          1HG       PRO  22  13.938  -1.620   3.781
  171   1HD   PRO  22          2HD       PRO  22  11.579   0.175   3.615
  172   2HD   PRO  22          1HD       PRO  22  11.685  -1.449   4.249
  173    H    GLU  23           H        GLU  23  15.656   1.917   6.584
  174    HA   GLU  23           HA       GLU  23  14.031   4.159   7.735
  175   1HB   GLU  23          2HB       GLU  23  16.267   4.830   8.690
  176   2HB   GLU  23          1HB       GLU  23  15.644   3.268   9.244
  177   1HG   GLU  23          2HG       GLU  23  17.342   2.137   8.147
  178   2HG   GLU  23          1HG       GLU  23  17.219   3.218   6.747
  179    H    GLU  24           H        GLU  24  16.139   3.408   5.029
  180    HA   GLU  24           HA       GLU  24  16.477   6.309   4.497
  181   1HB   GLU  24          2HB       GLU  24  17.734   3.829   3.384
  182   2HB   GLU  24          1HB       GLU  24  17.563   5.216   2.339
  183   1HG   GLU  24          2HG       GLU  24  18.602   6.570   4.378
  184   2HG   GLU  24          1HG       GLU  24  19.153   4.986   4.925
  185    H    THR  25           H        THR  25  14.027   4.396   4.284
  186    HA   THR  25           HA       THR  25  13.049   4.104   1.755
  187    HB   THR  25           HB       THR  25  10.980   5.139   3.527
  188    HG1  THR  25          1HG       THR  25  12.200   4.798   5.241
  189   1HG2  THR  25          2HG2      THR  25  11.174   3.067   1.751
  190   2HG2  THR  25          1HG2      THR  25  11.573   2.223   3.253
  191   3HG2  THR  25          3HG2      THR  25  10.021   2.992   3.120
  192    H    ASN  26           H        ASN  26  12.257   5.436   0.159
  193    HA   ASN  26           HA       ASN  26  11.933   8.355   0.797
  194   1HB   ASN  26          2HB       ASN  26  13.682   8.529  -0.593
  195   2HB   ASN  26          1HB       ASN  26  13.508   6.864  -1.206
  196   1HD2  ASN  26          1HD2      ASN  26  12.954   8.516  -4.235
  197   2HD2  ASN  26          2HD2      ASN  26  14.091   7.681  -3.285
  198    H    GLU  27           H        GLU  27  10.226   9.401  -0.065
  199    HA   GLU  27           HA       GLU  27   7.760   7.994  -0.347
  200   1HB   GLU  27          2HB       GLU  27   7.656  10.615  -1.590
  201   2HB   GLU  27          1HB       GLU  27   6.720   9.899  -0.265
  202   1HG   GLU  27          2HG       GLU  27   8.868  10.378   1.168
  203   2HG   GLU  27          1HG       GLU  27   9.409  11.328  -0.211
  204    H    LEU  28           H        LEU  28   9.803   9.557  -2.800
  205    HA   LEU  28           HA       LEU  28   8.122   9.084  -5.092
  206   1HB   LEU  28          2HB       LEU  28   9.654  10.920  -5.192
  207   2HB   LEU  28          1HB       LEU  28  10.984   9.927  -4.657
  208    HG   LEU  28           HG       LEU  28  10.753   8.581  -6.790
  209   1HD1  LEU  28          1HD1      LEU  28   8.903  10.938  -7.530
  210   2HD1  LEU  28          3HD1      LEU  28   9.615   9.794  -8.674
  211   3HD1  LEU  28          2HD1      LEU  28   8.438   9.267  -7.432
  212   1HD2  LEU  28          2HD2      LEU  28  11.422  11.537  -6.868
  213   2HD2  LEU  28          1HD2      LEU  28  12.456  10.176  -6.517
  214   3HD2  LEU  28          3HD2      LEU  28  11.815  10.394  -8.162
  215    H    MET  29           H        MET  29  10.467   7.397  -3.195
  216    HA   MET  29           HA       MET  29  11.273   5.465  -5.168
  217   1HB   MET  29          2HB       MET  29  12.476   6.066  -2.937
  218   2HB   MET  29          1HB       MET  29  11.272   5.040  -2.148
  219   1HG   MET  29          2HG       MET  29  12.321   3.652  -4.421
  220   2HG   MET  29          1HG       MET  29  13.696   4.376  -3.624
  221   1HE   MET  29          3HE       MET  29  14.929   2.618  -2.996
  222   2HE   MET  29          2HE       MET  29  14.590   1.408  -1.801
  223   3HE   MET  29          1HE       MET  29  13.916   1.236  -3.442
  224    H    LEU  30           H        LEU  30   9.230   5.314  -2.320
  225    HA   LEU  30           HA       LEU  30   7.985   2.831  -2.738
  226   1HB   LEU  30          2HB       LEU  30   7.393   5.290  -1.096
  227   2HB   LEU  30          1HB       LEU  30   6.087   4.124  -1.290
  228    HG   LEU  30           HG       LEU  30   7.545   3.876   0.682
  229   1HD1  LEU  30          3HD1      LEU  30   7.100   1.641  -1.338
  230   2HD1  LEU  30          2HD1      LEU  30   7.944   1.293   0.153
  231   3HD1  LEU  30          1HD1      LEU  30   6.322   1.927   0.247
  232   1HD2  LEU  30          2HD2      LEU  30   9.636   2.980  -1.337
  233   2HD2  LEU  30          1HD2      LEU  30   9.750   4.317  -0.203
  234   3HD2  LEU  30          3HD2      LEU  30   9.679   2.628   0.363
  235    H    SER  31           H        SER  31   7.335   6.080  -3.754
  236    HA   SER  31           HA       SER  31   4.714   5.602  -4.946
  237   1HB   SER  31          2HB       SER  31   5.229   7.963  -4.399
  238   2HB   SER  31          1HB       SER  31   6.712   7.844  -5.382
  239    HG   SER  31           HG       SER  31   5.561   7.820  -7.195
  240    H    MET  32           H        MET  32   8.115   5.359  -6.105
  241    HA   MET  32           HA       MET  32   7.297   5.159  -8.896
  242   1HB   MET  32          2HB       MET  32   9.753   4.853  -7.265
  243   2HB   MET  32          1HB       MET  32   9.637   3.919  -8.767
  244   1HG   MET  32          2HG       MET  32   8.930   5.988  -9.937
  245   2HG   MET  32          1HG       MET  32   9.523   6.928  -8.536
  246   1HE   MET  32          2HE       MET  32  11.755   6.193  -7.440
  247   2HE   MET  32          1HE       MET  32  11.737   4.500  -7.869
  248   3HE   MET  32          3HE       MET  32  13.158   5.515  -8.297
  249    H    LEU  33           H        LEU  33   7.808   3.072  -6.128
  250    HA   LEU  33           HA       LEU  33   7.934   0.491  -7.432
  251   1HB   LEU  33          2HB       LEU  33   7.710   1.611  -4.657
  252   2HB   LEU  33          1HB       LEU  33   7.040   0.023  -4.874
  253    HG   LEU  33           HG       LEU  33   9.842   0.851  -5.722
  254   1HD1  LEU  33          1HD1      LEU  33   9.601   1.273  -3.302
  255   2HD1  LEU  33          3HD1      LEU  33   9.066  -0.366  -3.038
  256   3HD1  LEU  33          2HD1      LEU  33  10.700  -0.053  -3.669
  257   1HD2  LEU  33          3HD2      LEU  33   8.308  -1.586  -5.996
  258   2HD2  LEU  33          2HD2      LEU  33  10.008  -1.289  -6.444
  259   3HD2  LEU  33          1HD2      LEU  33   9.573  -1.906  -4.851
  260    H    PHE  34           H        PHE  34   5.636   2.561  -5.840
  261    HA   PHE  34           HA       PHE  34   3.469   0.651  -6.363
  262   1HB   PHE  34          2HB       PHE  34   3.367   3.455  -5.094
  263   2HB   PHE  34          1HB       PHE  34   1.943   2.464  -5.354
  264    HD1  PHE  34           HD2      PHE  34   3.094  -0.326  -4.778
  265    HD2  PHE  34           HD1      PHE  34   3.690   3.441  -2.790
  266    HE1  PHE  34           HE2      PHE  34   3.658  -1.455  -2.750
  267    HE2  PHE  34           HE1      PHE  34   4.246   2.307  -0.741
  268    HZ   PHE  34           HZ       PHE  34   4.242  -0.297  -0.699
  269    H    ASN  35           H        ASN  35   4.886   3.335  -7.840
  270    HA   ASN  35           HA       ASN  35   2.857   4.090  -9.671
  271   1HB   ASN  35          2HB       ASN  35   4.695   5.605  -9.614
  272   2HB   ASN  35          1HB       ASN  35   5.863   4.252  -9.766
  273   1HD2  ASN  35          1HD2      ASN  35   3.750   4.984 -13.216
  274   2HD2  ASN  35          2HD2      ASN  35   2.917   4.809 -11.735
  275    H    GLN  36           H        GLN  36   5.426   1.684  -9.706
  276    HA   GLN  36           HA       GLN  36   5.712   0.509 -12.090
  277   1HB   GLN  36          2HB       GLN  36   4.819  -0.672  -9.492
  278   2HB   GLN  36          1HB       GLN  36   5.151  -1.745 -10.808
  279   1HG   GLN  36          2HG       GLN  36   7.178   0.388 -10.217
  280   2HG   GLN  36          1HG       GLN  36   7.174  -0.999  -9.136
  281   1HE2  GLN  36          2HE2      GLN  36   9.505  -2.171 -11.590
  282   2HE2  GLN  36          1HE2      GLN  36   9.341  -1.383 -10.096
  283    H    PHE  37           H        PHE  37   2.716   0.459 -10.226
  284    HA   PHE  37           HA       PHE  37   1.252  -1.111 -12.132
  285   1HB   PHE  37          2HB       PHE  37   0.499  -0.077  -9.372
  286   2HB   PHE  37          1HB       PHE  37  -0.467  -1.135 -10.383
  287    HD1  PHE  37           HD2      PHE  37   0.401  -3.256 -11.217
  288    HD2  PHE  37           HD1      PHE  37   2.562  -0.999  -8.237
  289    HE1  PHE  37           HE2      PHE  37   1.830  -5.253 -10.610
  290    HE2  PHE  37           HE1      PHE  37   3.919  -2.957  -7.689
  291    HZ   PHE  37           HZ       PHE  37   3.517  -5.120  -8.936
  292    HA   PRO  38           HA       PRO  38  -0.385   2.118 -14.718
  293   1HB   PRO  38          2HB       PRO  38  -2.866   0.833 -15.076
  294   2HB   PRO  38          1HB       PRO  38  -1.379   0.732 -16.083
  295   1HG   PRO  38          2HG       PRO  38  -2.336  -1.212 -13.970
  296   2HG   PRO  38          1HG       PRO  38  -1.529  -1.560 -15.487
  297   1HD   PRO  38          2HD       PRO  38  -0.105  -1.571 -13.315
  298   2HD   PRO  38          1HD       PRO  38   0.597  -0.741 -14.679
  299    H    GLY  39           H        GLY  39  -2.403   1.019 -11.971
  300   1HA   GLY  39          2HA       GLY  39  -4.045   3.510 -12.333
  301   2HA   GLY  39          1HA       GLY  39  -4.505   2.083 -11.361
  302    H    PHE  40           H        PHE  40  -1.333   2.869 -10.763
  303    HA   PHE  40           HA       PHE  40  -1.033   3.243  -8.233
  304   1HB   PHE  40          2HB       PHE  40   0.837   3.759  -9.530
  305   2HB   PHE  40          1HB       PHE  40  -0.098   4.889 -10.498
  306    HD1  PHE  40           HD2      PHE  40   1.435   4.530  -7.120
  307    HD2  PHE  40           HD1      PHE  40  -0.157   7.111 -10.121
  308    HE1  PHE  40           HE2      PHE  40   2.270   6.557  -5.815
  309    HE2  PHE  40           HE1      PHE  40   0.672   9.117  -8.830
  310    HZ   PHE  40           HZ       PHE  40   1.875   8.766  -6.685
  311    H    LYS  41           H        LYS  41  -2.560   4.078  -6.787
  312    HA   LYS  41           HA       LYS  41  -3.958   6.610  -7.608
  313   1HB   LYS  41          2HB       LYS  41  -5.039   4.440  -6.666
  314   2HB   LYS  41          1HB       LYS  41  -4.748   5.248  -5.112
  315   1HG   LYS  41          2HG       LYS  41  -6.047   6.820  -7.290
  316   2HG   LYS  41          1HG       LYS  41  -6.996   5.686  -6.344
  317   1HD   LYS  41          2HD       LYS  41  -5.417   6.904  -4.437
  318   2HD   LYS  41          1HD       LYS  41  -5.704   8.190  -5.602
  319   1HE   LYS  41          2HE       LYS  41  -7.701   6.631  -3.893
  320   2HE   LYS  41          1HE       LYS  41  -7.513   8.376  -4.096
  321   1HZ   LYS  41          3HZ       LYS  41  -8.111   7.644  -6.586
  322   2HZ   LYS  41          2HZ       LYS  41  -8.853   6.387  -5.735
  323   3HZ   LYS  41          1HZ       LYS  41  -9.313   8.014  -5.456
  324    H    GLU  42           H        GLU  42  -2.799   5.469  -4.382
  325    HA   GLU  42           HA       GLU  42  -1.553   8.100  -4.031
  326   1HB   GLU  42          2HB       GLU  42  -3.980   7.197  -2.620
  327   2HB   GLU  42          1HB       GLU  42  -2.759   8.031  -1.604
  328   1HG   GLU  42          2HG       GLU  42  -3.950   9.114  -4.153
  329   2HG   GLU  42          1HG       GLU  42  -4.386   9.633  -2.527
  330    H    VAL  43           H        VAL  43  -0.164   8.149  -2.263
  331    HA   VAL  43           HA       VAL  43   0.752   5.676  -1.025
  332    HB   VAL  43           HB       VAL  43   2.595   7.222  -2.787
  333   1HG1  VAL  43          2HG1      VAL  43   2.965   4.693  -1.104
  334   2HG1  VAL  43          1HG1      VAL  43   4.169   5.276  -2.235
  335   3HG1  VAL  43          3HG1      VAL  43   3.708   6.245  -0.813
  336   1HG2  VAL  43          3HG2      VAL  43   1.194   4.546  -3.014
  337   2HG2  VAL  43          2HG2      VAL  43   1.164   5.840  -4.189
  338   3HG2  VAL  43          1HG2      VAL  43   2.629   4.896  -3.983
  339    H    ARG  44           H        ARG  44   1.275   6.136   0.921
  340    HA   ARG  44           HA       ARG  44   1.762   8.880   1.805
  341   1HB   ARG  44          2HB       ARG  44  -0.448   7.676   2.556
  342   2HB   ARG  44          1HB       ARG  44   0.598   6.644   3.531
  343   1HG   ARG  44          2HG       ARG  44   0.235   8.363   5.059
  344   2HG   ARG  44          1HG       ARG  44   1.644   9.017   4.244
  345   1HD   ARG  44          2HD       ARG  44  -1.153   9.870   4.214
  346   2HD   ARG  44          1HD       ARG  44   0.296  10.855   4.050
  347    HE   ARG  44           HE       ARG  44  -0.178   9.301   1.617
  348   1HH1  ARG  44          1HH2      ARG  44   0.474  12.409   2.553
  349   2HH1  ARG  44          2HH2      ARG  44  -0.764  13.114   1.588
  350   1HH2  ARG  44          1HH1      ARG  44  -2.437  10.280   0.780
  351   2HH2  ARG  44          2HH1      ARG  44  -2.277  12.019   0.670
  352    H    LEU  45           H        LEU  45   3.893   8.774   1.773
  353    HA   LEU  45           HA       LEU  45   5.208   7.172   3.819
  354   1HB   LEU  45          2HB       LEU  45   5.886   6.407   1.372
  355   2HB   LEU  45          1HB       LEU  45   6.534   8.004   1.201
  356    HG   LEU  45           HG       LEU  45   8.048   7.642   3.079
  357   1HD1  LEU  45          3HD1      LEU  45   6.293   5.253   3.365
  358   2HD1  LEU  45          2HD1      LEU  45   8.033   5.030   3.731
  359   3HD1  LEU  45          1HD1      LEU  45   7.120   6.225   4.602
  360   1HD2  LEU  45          2HD2      LEU  45   8.211   6.268   0.581
  361   2HD2  LEU  45          1HD2      LEU  45   9.521   6.758   1.624
  362   3HD2  LEU  45          3HD2      LEU  45   8.816   5.163   1.816
  363    H    VAL  46           H        VAL  46   5.127   9.086   5.192
  364    HA   VAL  46           HA       VAL  46   6.297  11.568   4.033
  365    HB   VAL  46           HB       VAL  46   4.077  11.840   4.823
  366   1HG1  VAL  46          1HG1      VAL  46   4.728   9.962   6.862
  367   2HG1  VAL  46          3HG1      VAL  46   4.432  11.506   7.649
  368   3HG1  VAL  46          2HG1      VAL  46   3.196  10.817   6.608
  369   1HG2  VAL  46          2HG2      VAL  46   6.006  13.496   5.240
  370   2HG2  VAL  46          1HG2      VAL  46   4.468  13.736   6.097
  371   3HG2  VAL  46          3HG2      VAL  46   5.822  13.050   6.959
  372    HA   PRO  47           HA       PRO  47   9.853  10.280   6.341
  373   1HB   PRO  47          2HB       PRO  47  10.815  13.063   6.270
  374   2HB   PRO  47          1HB       PRO  47  11.566  11.550   5.701
  375   1HG   PRO  47          2HG       PRO  47  10.126  13.464   4.194
  376   2HG   PRO  47          1HG       PRO  47  10.722  11.903   3.542
  377   1HD   PRO  47          2HD       PRO  47   8.043  12.869   3.986
  378   2HD   PRO  47          1HD       PRO  47   8.549  11.292   3.343
  379    H    GLY  48           H        GLY  48  10.783  10.772   8.345
  380   1HA   GLY  48          2HA       GLY  48  10.661  11.689  10.621
  381   2HA   GLY  48          1HA       GLY  48   8.970  12.073  10.292
  382    H    ARG  49           H        ARG  49   8.579   9.725   8.730
  383    HA   ARG  49           HA       ARG  49   8.393   7.432  10.639
  384   1HB   ARG  49          2HB       ARG  49   6.948   7.840   7.982
  385   2HB   ARG  49          1HB       ARG  49   6.661   6.595   9.219
  386   1HG   ARG  49          2HG       ARG  49   6.207   9.525   9.645
  387   2HG   ARG  49          1HG       ARG  49   4.919   8.386   9.223
  388   1HD   ARG  49          2HD       ARG  49   4.788   7.970  11.395
  389   2HD   ARG  49          1HD       ARG  49   6.299   7.104  11.300
  390    HE   ARG  49           HE       ARG  49   7.111   9.730  11.467
  391   1HH1  ARG  49          2HH2      ARG  49   6.890   7.338  13.699
  392   2HH1  ARG  49          1HH2      ARG  49   6.445   8.327  15.045
  393   1HH2  ARG  49          1HH1      ARG  49   5.786  11.119  13.141
  394   2HH2  ARG  49          2HH1      ARG  49   5.824  10.488  14.740
  395    H    HIS  50           H        HIS  50   8.636   7.938   7.109
  396    HA   HIS  50           HA       HIS  50   9.891   6.880   5.586
  397   1HB   HIS  50          2HB       HIS  50  12.040   5.899   7.384
  398   2HB   HIS  50          1HB       HIS  50  12.214   6.840   5.881
  399    HD1  HIS  50           HD1      HIS  50  11.857   7.118   9.543
  400    HD2  HIS  50           HD2      HIS  50  12.443   9.657   6.293
  401    HE1  HIS  50           HE1      HIS  50  12.482   9.352  10.539
  402    HE2  HIS  50           HE2      HIS  50  12.852  10.931   8.618
  403    H    ASP  51           H        ASP  51   8.045   5.706   7.645
  404    HA   ASP  51           HA       ASP  51   8.722   2.944   6.971
  405   1HB   ASP  51          2HB       ASP  51   9.600   2.283   8.904
  406   2HB   ASP  51          1HB       ASP  51   9.582   3.942   9.481
  407    H    ILE  52           H        ILE  52   6.215   5.077   7.627
  408    HA   ILE  52           HA       ILE  52   4.263   2.873   7.865
  409    HB   ILE  52           HB       ILE  52   2.609   4.458   8.540
  410   1HG1  ILE  52          2HG1      ILE  52   4.321   6.605   9.490
  411   2HG1  ILE  52          1HG1      ILE  52   4.534   6.469   7.764
  412   1HG2  ILE  52          1HG2      ILE  52   5.075   4.101  10.193
  413   2HG2  ILE  52          3HG2      ILE  52   3.774   5.094  10.801
  414   3HG2  ILE  52          2HG2      ILE  52   3.482   3.387  10.402
  415   1HD1  ILE  52          2HD1      ILE  52   1.804   6.528   9.158
  416   2HD1  ILE  52          1HD1      ILE  52   2.602   7.960   8.502
  417   3HD1  ILE  52          3HD1      ILE  52   2.099   6.676   7.429
  418    H    ALA  53           H        ALA  53   3.597   2.308   5.921
  419    HA   ALA  53           HA       ALA  53   3.463   4.278   3.662
  420   1HB   ALA  53          3HB       ALA  53   4.214   1.434   3.954
  421   2HB   ALA  53          2HB       ALA  53   3.296   1.974   2.513
  422   3HB   ALA  53          1HB       ALA  53   4.852   2.703   2.943
  423    H    PHE  54           H        PHE  54   1.504   4.919   3.225
  424    HA   PHE  54           HA       PHE  54  -0.745   3.115   3.326
  425   1HB   PHE  54          2HB       PHE  54  -0.604   5.553   4.531
  426   2HB   PHE  54          1HB       PHE  54  -1.424   5.941   3.016
  427    HD1  PHE  54           HD2      PHE  54  -3.220   3.802   2.414
  428    HD2  PHE  54           HD1      PHE  54  -2.188   5.441   6.251
  429    HE1  PHE  54           HE2      PHE  54  -5.393   3.053   3.419
  430    HE2  PHE  54           HE1      PHE  54  -4.346   4.692   7.201
  431    HZ   PHE  54           HZ       PHE  54  -5.935   3.502   5.780
  432    H    VAL  55           H        VAL  55  -0.730   2.135   1.509
  433    HA   VAL  55           HA       VAL  55  -0.324   3.596  -1.071
  434    HB   VAL  55           HB       VAL  55  -0.053   0.648  -0.524
  435   1HG1  VAL  55          2HG1      VAL  55   0.149   1.730  -2.905
  436   2HG1  VAL  55          1HG1      VAL  55   1.412   2.696  -2.218
  437   3HG1  VAL  55          3HG1      VAL  55   1.667   0.958  -2.353
  438   1HG2  VAL  55          2HG2      VAL  55   1.837   2.869   0.218
  439   2HG2  VAL  55          1HG2      VAL  55   1.154   1.571   1.229
  440   3HG2  VAL  55          3HG2      VAL  55   2.304   1.186  -0.007
  441    H    GLU  56           H        GLU  56  -2.207   4.085  -1.819
  442    HA   GLU  56           HA       GLU  56  -4.564   2.346  -2.031
  443   1HB   GLU  56          2HB       GLU  56  -3.841   5.294  -2.457
  444   2HB   GLU  56          1HB       GLU  56  -5.248   4.572  -3.226
  445   1HG   GLU  56          2HG       GLU  56  -6.430   4.414  -1.264
  446   2HG   GLU  56          1HG       GLU  56  -4.966   4.173  -0.296
  447    H    PHE  57           H        PHE  57  -4.494   1.050  -3.759
  448    HA   PHE  57           HA       PHE  57  -3.329   1.958  -6.327
  449   1HB   PHE  57          2HB       PHE  57  -3.798  -0.915  -5.468
  450   2HB   PHE  57          1HB       PHE  57  -2.919  -0.323  -6.877
  451    HD1  PHE  57           HD1      PHE  57  -2.857  -0.167  -3.210
  452    HD2  PHE  57           HD2      PHE  57  -0.636  -0.436  -6.874
  453    HE1  PHE  57           HE1      PHE  57  -0.699  -0.494  -1.913
  454    HE2  PHE  57           HE2      PHE  57   1.449  -0.747  -5.659
  455    HZ   PHE  57           HZ       PHE  57   1.379  -0.789  -3.104
  456    H    ASP  58           H        ASP  58  -5.001   2.598  -7.444
  457    HA   ASP  58           HA       ASP  58  -7.543   2.461  -7.542
  458   1HB   ASP  58          2HB       ASP  58  -6.189   3.320  -9.396
  459   2HB   ASP  58          1HB       ASP  58  -5.770   1.705  -9.922
  460    H    ASN  59           H        ASN  59  -5.743  -0.677  -8.237
  461    HA   ASN  59           HA       ASN  59  -8.317  -1.910  -7.667
  462   1HB   ASN  59          2HB       ASN  59  -8.380  -3.299  -9.703
  463   2HB   ASN  59          1HB       ASN  59  -8.253  -1.589 -10.151
  464   1HD2  ASN  59          1HD2      ASN  59  -5.104  -2.013 -11.676
  465   2HD2  ASN  59          2HD2      ASN  59  -6.361  -0.953 -11.273
  466    H    GLU  60           H        GLU  60  -8.291  -3.847  -6.873
  467    HA   GLU  60           HA       GLU  60  -6.034  -4.700  -5.365
  468   1HB   GLU  60          2HB       GLU  60  -7.520  -6.984  -5.464
  469   2HB   GLU  60          1HB       GLU  60  -7.802  -5.648  -4.333
  470   1HG   GLU  60          2HG       GLU  60  -9.546  -4.800  -5.759
  471   2HG   GLU  60          1HG       GLU  60  -9.155  -5.926  -7.073
  472    H    VAL  61           H        VAL  61  -6.634  -5.473  -8.690
  473    HA   VAL  61           HA       VAL  61  -5.130  -7.965  -8.720
  474    HB   VAL  61           HB       VAL  61  -5.532  -6.058 -11.079
  475   1HG1  VAL  61          1HG1      VAL  61  -4.200  -8.660 -10.651
  476   2HG1  VAL  61          3HG1      VAL  61  -5.378  -8.686 -11.949
  477   3HG1  VAL  61          2HG1      VAL  61  -4.032  -7.547 -11.971
  478   1HG2  VAL  61          1HG2      VAL  61  -7.700  -6.998  -9.923
  479   2HG2  VAL  61          3HG2      VAL  61  -7.433  -7.387 -11.625
  480   3HG2  VAL  61          2HG2      VAL  61  -7.101  -8.593 -10.404
  481    H    GLN  62           H        GLN  62  -4.540  -4.599  -9.401
  482    HA   GLN  62           HA       GLN  62  -1.638  -4.895  -9.664
  483   1HB   GLN  62          2HB       GLN  62  -1.414  -2.778 -10.212
  484   2HB   GLN  62          1HB       GLN  62  -3.135  -2.814 -10.613
  485   1HG   GLN  62          2HG       GLN  62  -3.383  -2.178  -8.020
  486   2HG   GLN  62          1HG       GLN  62  -1.764  -1.633  -8.251
  487   1HE2  GLN  62          1HE2      GLN  62  -2.693   1.189 -10.036
  488   2HE2  GLN  62          2HE2      GLN  62  -1.428   0.306  -9.394
  489    H    ALA  63           H        ALA  63  -3.934  -4.155  -7.039
  490    HA   ALA  63           HA       ALA  63  -2.080  -3.013  -5.198
  491   1HB   ALA  63          2HB       ALA  63  -4.741  -3.257  -5.240
  492   2HB   ALA  63          1HB       ALA  63  -4.390  -4.637  -4.222
  493   3HB   ALA  63          3HB       ALA  63  -3.847  -3.039  -3.723
  494    H    GLY  64           H        GLY  64  -3.346  -6.108  -6.130
  495   1HA   GLY  64          2HA       GLY  64  -1.974  -7.685  -4.158
  496   2HA   GLY  64          1HA       GLY  64  -2.915  -8.350  -5.515
  497    H    ALA  65           H        ALA  65  -1.394  -6.679  -7.454
  498    HA   ALA  65           HA       ALA  65   0.755  -8.482  -8.008
  499   1HB   ALA  65          3HB       ALA  65  -0.555  -7.109  -9.685
  500   2HB   ALA  65          2HB       ALA  65   0.243  -5.655  -9.131
  501   3HB   ALA  65          1HB       ALA  65   1.172  -6.949  -9.943
  502    H    ALA  66           H        ALA  66   0.706  -5.074  -6.997
  503    HA   ALA  66           HA       ALA  66   3.449  -4.702  -6.385
  504   1HB   ALA  66          1HB       ALA  66   0.940  -3.285  -5.738
  505   2HB   ALA  66          3HB       ALA  66   2.199  -3.101  -4.549
  506   3HB   ALA  66          2HB       ALA  66   2.524  -2.635  -6.192
  507    H    ARG  67           H        ARG  67   0.748  -5.459  -4.219
  508    HA   ARG  67           HA       ARG  67   2.109  -5.779  -1.787
  509   1HB   ARG  67          2HB       ARG  67  -0.459  -5.816  -2.129
  510   2HB   ARG  67          1HB       ARG  67  -0.207  -7.506  -2.575
  511   1HG   ARG  67          2HG       ARG  67   0.994  -6.386  -0.073
  512   2HG   ARG  67          1HG       ARG  67  -0.754  -6.764  -0.074
  513   1HD   ARG  67          2HD       ARG  67  -0.379  -9.004   0.041
  514   2HD   ARG  67          1HD       ARG  67   0.934  -8.960  -1.123
  515    HE   ARG  67           HE       ARG  67   2.457  -8.419   0.610
  516   1HH1  ARG  67          2HH2      ARG  67   1.286  -6.743   2.508
  517   2HH1  ARG  67          1HH2      ARG  67   0.787  -7.706   3.829
  518   1HH2  ARG  67          1HH1      ARG  67   0.959 -10.680   1.848
  519   2HH2  ARG  67          2HH1      ARG  67   0.578 -10.061   3.448
  520    H    ASP  68           H        ASP  68   1.219  -8.249  -4.182
  521    HA   ASP  68           HA       ASP  68   2.564 -10.428  -2.871
  522   1HB   ASP  68          2HB       ASP  68   0.829 -10.886  -4.434
  523   2HB   ASP  68          1HB       ASP  68   1.732 -10.115  -5.738
  524    H    ALA  69           H        ALA  69   3.582  -8.093  -5.242
  525    HA   ALA  69           HA       ALA  69   6.073  -9.400  -5.873
  526   1HB   ALA  69          1HB       ALA  69   5.065  -7.740  -7.424
  527   2HB   ALA  69          3HB       ALA  69   5.284  -6.450  -6.218
  528   3HB   ALA  69          2HB       ALA  69   6.679  -7.195  -6.939
  529    H    LEU  70           H        LEU  70   5.051  -7.099  -3.400
  530    HA   LEU  70           HA       LEU  70   7.855  -7.194  -2.342
  531   1HB   LEU  70          2HB       LEU  70   7.474  -5.039  -1.271
  532   2HB   LEU  70          1HB       LEU  70   7.323  -4.921  -3.018
  533    HG   LEU  70           HG       LEU  70   4.737  -5.537  -1.984
  534   1HD1  LEU  70          1HD1      LEU  70   5.860  -4.505   0.168
  535   2HD1  LEU  70          3HD1      LEU  70   5.677  -3.019  -0.722
  536   3HD1  LEU  70          2HD1      LEU  70   4.238  -3.994  -0.324
  537   1HD2  LEU  70          3HD2      LEU  70   5.678  -4.089  -3.935
  538   2HD2  LEU  70          2HD2      LEU  70   4.187  -3.486  -3.190
  539   3HD2  LEU  70          1HD2      LEU  70   5.771  -2.799  -2.759
  540    H    GLN  71           H        GLN  71   5.720  -9.063  -1.999
  541    HA   GLN  71           HA       GLN  71   4.326  -8.639   0.549
  542   1HB   GLN  71          2HB       GLN  71   3.830 -10.393  -1.441
  543   2HB   GLN  71          1HB       GLN  71   4.861 -11.395  -0.414
  544   1HG   GLN  71          2HG       GLN  71   3.128 -10.257   1.414
  545   2HG   GLN  71          1HG       GLN  71   2.145 -10.552  -0.022
  546   1HE2  GLN  71          2HE2      GLN  71   1.935 -13.952   0.796
  547   2HE2  GLN  71          1HE2      GLN  71   1.215 -12.568   0.133
  548    H    GLY  72           H        GLY  72   7.582  -8.904   0.236
  549   1HA   GLY  72          2HA       GLY  72   7.732  -9.811   2.953
  550   2HA   GLY  72          1HA       GLY  72   8.457 -10.969   1.812
  551    H    PHE  73           H        PHE  73   8.316  -7.489   1.775
  552    HA   PHE  73           HA       PHE  73  11.026  -7.156   0.926
  553   1HB   PHE  73          2HB       PHE  73   8.951  -5.428   0.668
  554   2HB   PHE  73          1HB       PHE  73   9.519  -4.867   2.238
  555    HD1  PHE  73           HD2      PHE  73  12.561  -5.896   1.139
  556    HD2  PHE  73           HD1      PHE  73   9.508  -3.112  -0.156
  557    HE1  PHE  73           HE2      PHE  73  14.228  -4.606  -0.060
  558    HE2  PHE  73           HE1      PHE  73  11.213  -1.820  -1.371
  559    HZ   PHE  73           HZ       PHE  73  13.595  -2.545  -1.338
  560    H    LYS  74           H        LYS  74  12.074  -8.334   2.247
  561    HA   LYS  74           HA       LYS  74  12.243  -8.236   5.073
  562   1HB   LYS  74          2HB       LYS  74  14.747  -9.150   4.231
  563   2HB   LYS  74          1HB       LYS  74  13.347 -10.141   4.562
  564   1HG   LYS  74          2HG       LYS  74  14.301 -10.647   2.326
  565   2HG   LYS  74          1HG       LYS  74  12.677 -10.112   2.197
  566   1HD   LYS  74          2HD       LYS  74  13.874  -7.732   1.784
  567   2HD   LYS  74          1HD       LYS  74  15.293  -8.754   1.519
  568   1HE   LYS  74          2HE       LYS  74  13.594 -10.065  -0.052
  569   2HE   LYS  74          1HE       LYS  74  12.833  -8.467  -0.112
  570   1HZ   LYS  74          2HZ       LYS  74  15.706  -8.487  -0.456
  571   2HZ   LYS  74          1HZ       LYS  74  14.838  -9.258  -1.678
  572   3HZ   LYS  74          3HZ       LYS  74  14.472  -7.652  -1.294
  573    H    ILE  75           H        ILE  75  12.391  -6.042   5.558
  574    HA   ILE  75           HA       ILE  75  14.062  -4.020   4.618
  575    HB   ILE  75           HB       ILE  75  12.955  -4.805   7.311
  576   1HG1  ILE  75          2HG1      ILE  75  11.755  -2.721   7.202
  577   2HG1  ILE  75          1HG1      ILE  75  12.667  -2.248   5.769
  578   1HG2  ILE  75          3HG2      ILE  75  15.277  -3.650   7.717
  579   2HG2  ILE  75          2HG2      ILE  75  14.575  -2.244   6.979
  580   3HG2  ILE  75          1HG2      ILE  75  13.883  -2.861   8.452
  581   1HD1  ILE  75          2HD1      ILE  75  10.923  -4.741   5.765
  582   2HD1  ILE  75          1HD1      ILE  75  10.417  -3.159   5.109
  583   3HD1  ILE  75          3HD1      ILE  75  11.763  -4.018   4.427
  584    H    THR  76           H        THR  76  14.692  -6.709   6.689
  585    HA   THR  76           HA       THR  76  17.645  -6.215   6.361
  586    HB   THR  76           HB       THR  76  16.715  -7.386   8.915
  587    HG1  THR  76          1HG       THR  76  17.058  -4.726   9.108
  588   1HG2  THR  76          3HG2      THR  76  19.080  -5.860   7.886
  589   2HG2  THR  76          2HG2      THR  76  18.699  -5.817   9.596
  590   3HG2  THR  76          1HG2      THR  76  19.009  -7.350   8.809
  591    H    GLN  77           H        GLN  77  15.158  -8.545   6.906
  592    HA   GLN  77           HA       GLN  77  15.248 -10.648   5.578
  593   1HB   GLN  77          2HB       GLN  77  17.069 -12.144   5.853
  594   2HB   GLN  77          1HB       GLN  77  17.739 -10.633   5.274
  595   1HG   GLN  77          2HG       GLN  77  19.117 -10.721   7.086
  596   2HG   GLN  77          1HG       GLN  77  17.730 -10.558   8.168
  597   1HE2  GLN  77          2HE2      GLN  77  17.627 -14.094   8.824
  598   2HE2  GLN  77          1HE2      GLN  77  16.599 -12.741   8.724
  599    H    ASN  78           H        ASN  78  16.126  -9.520   8.711
  600    HA   ASN  78           HA       ASN  78  14.636 -11.623  10.154
  601   1HB   ASN  78          2HB       ASN  78  17.011 -10.332  10.647
  602   2HB   ASN  78          1HB       ASN  78  15.901  -9.295  11.528
  603   1HD2  ASN  78          1HD2      ASN  78  17.103 -12.368  13.504
  604   2HD2  ASN  78          2HD2      ASN  78  17.969 -11.455  12.344
  605    H    ASN  79           H        ASN  79  14.725  -8.297   9.130
  606    HA   ASN  79           HA       ASN  79  12.140  -7.565  10.394
  607   1HB   ASN  79          2HB       ASN  79  14.104  -5.870   8.831
  608   2HB   ASN  79          1HB       ASN  79  12.681  -5.314   9.715
  609   1HD2  ASN  79          1HD2      ASN  79  15.834  -6.472  12.044
  610   2HD2  ASN  79          2HD2      ASN  79  15.604  -7.277  10.561
  611    H    ALA  80           H        ALA  80  10.377  -7.665   8.993
  612    HA   ALA  80           HA       ALA  80  10.735  -7.419   6.035
  613   1HB   ALA  80          1HB       ALA  80   9.913  -9.752   7.510
  614   2HB   ALA  80          3HB       ALA  80   8.579  -9.139   6.579
  615   3HB   ALA  80          2HB       ALA  80  10.066  -9.594   5.731
  616    H    MET  81           H        MET  81   9.440  -5.954   5.332
  617    HA   MET  81           HA       MET  81   7.938  -4.114   6.552
  618   1HB   MET  81          2HB       MET  81   7.787  -3.443   4.453
  619   2HB   MET  81          1HB       MET  81   8.369  -5.002   3.932
  620   1HG   MET  81          2HG       MET  81   5.409  -4.550   4.499
  621   2HG   MET  81          1HG       MET  81   6.152  -4.138   2.988
  622   1HE   MET  81          2HE       MET  81   4.240  -6.241   4.675
  623   2HE   MET  81          1HE       MET  81   3.786  -6.510   2.998
  624   3HE   MET  81          3HE       MET  81   4.310  -7.852   4.028
  625    H    LYS  82           H        LYS  82   5.689  -3.684   6.924
  626    HA   LYS  82           HA       LYS  82   3.841  -5.975   6.839
  627   1HB   LYS  82          2HB       LYS  82   3.969  -4.080   9.222
  628   2HB   LYS  82          1HB       LYS  82   2.859  -5.400   8.923
  629   1HG   LYS  82          2HG       LYS  82   5.394  -6.554   8.590
  630   2HG   LYS  82          1HG       LYS  82   5.483  -5.510  10.033
  631   1HD   LYS  82          2HD       LYS  82   4.682  -7.608  10.847
  632   2HD   LYS  82          1HD       LYS  82   3.355  -6.448  10.820
  633   1HE   LYS  82          2HE       LYS  82   2.252  -7.595   9.199
  634   2HE   LYS  82          1HE       LYS  82   3.761  -7.913   8.314
  635   1HZ   LYS  82          1HZ       LYS  82   3.005  -9.358  10.835
  636   2HZ   LYS  82          3HZ       LYS  82   2.631  -9.940   9.304
  637   3HZ   LYS  82          2HZ       LYS  82   4.267  -9.708   9.748
  638    H    ILE  83           H        ILE  83   2.449  -5.484   5.485
  639    HA   ILE  83           HA       ILE  83   1.331  -2.803   4.847
  640    HB   ILE  83           HB       ILE  83   2.453  -4.908   2.987
  641   1HG1  ILE  83          2HG1      ILE  83   2.880  -1.925   3.168
  642   2HG1  ILE  83          1HG1      ILE  83   3.878  -3.109   4.049
  643   1HG2  ILE  83          3HG2      ILE  83   0.350  -2.778   2.635
  644   2HG2  ILE  83          2HG2      ILE  83   1.603  -2.856   1.427
  645   3HG2  ILE  83          1HG2      ILE  83   0.583  -4.277   1.707
  646   1HD1  ILE  83          3HD1      ILE  83   4.093  -4.251   1.676
  647   2HD1  ILE  83          2HD1      ILE  83   3.571  -2.696   1.113
  648   3HD1  ILE  83          1HD1      ILE  83   5.056  -2.822   2.101
  649    H    SER  84           H        SER  84  -0.711  -3.053   5.538
  650    HA   SER  84           HA       SER  84  -2.138  -5.613   5.331
  651   1HB   SER  84          2HB       SER  84  -2.783  -3.258   7.142
  652   2HB   SER  84          1HB       SER  84  -3.750  -4.698   6.902
  653    HG   SER  84           HG       SER  84  -2.633  -5.516   8.402
  654    H    PHE  85           H        PHE  85  -3.169  -5.553   3.403
  655    HA   PHE  85           HA       PHE  85  -4.193  -3.505   1.859
  656   1HB   PHE  85          2HB       PHE  85  -6.120  -5.395   1.581
  657   2HB   PHE  85          1HB       PHE  85  -4.613  -5.255   0.660
  658    HD1  PHE  85           HD2      PHE  85  -5.781  -6.733   3.880
  659    HD2  PHE  85           HD1      PHE  85  -3.279  -6.986   0.446
  660    HE1  PHE  85           HE2      PHE  85  -4.998  -8.988   4.627
  661    HE2  PHE  85           HE1      PHE  85  -2.474  -9.233   1.154
  662    HZ   PHE  85           HZ       PHE  85  -3.319 -10.274   3.242
  663    H    ALA  86           H        ALA  86  -6.589  -2.982   1.654
  664    HA   ALA  86           HA       ALA  86  -7.671  -1.884   4.015
  665   1HB   ALA  86          2HB       ALA  86  -8.347  -2.002   1.159
  666   2HB   ALA  86          1HB       ALA  86  -9.708  -1.853   2.265
  667   3HB   ALA  86          3HB       ALA  86  -8.464  -0.646   2.320
  668    H    LYS  87           H        LYS  87  -9.380  -4.366   1.978
  669    HA   LYS  87           HA       LYS  87 -11.165  -4.974   4.217
  670   1HB   LYS  87          2HB       LYS  87 -11.497  -5.592   1.617
  671   2HB   LYS  87          1HB       LYS  87 -10.658  -7.047   2.164
  672   1HG   LYS  87          2HG       LYS  87 -12.412  -6.630   4.211
  673   2HG   LYS  87          1HG       LYS  87 -13.357  -6.136   2.780
  674   1HD   LYS  87          2HD       LYS  87 -11.721  -8.652   2.647
  675   2HD   LYS  87          1HD       LYS  87 -13.237  -8.689   3.565
  676   1HE   LYS  87          2HE       LYS  87 -14.079  -9.125   1.463
  677   2HE   LYS  87          1HE       LYS  87 -14.005  -7.343   1.309
  678   1HZ   LYS  87          1HZ       LYS  87 -11.687  -9.013   0.548
  679   2HZ   LYS  87          3HZ       LYS  87 -12.905  -8.637  -0.526
  680   3HZ   LYS  87          2HZ       LYS  87 -12.027  -7.370   0.236
  681    H    LYS  88           H        LYS  88 -10.238  -5.731   6.051
  682    HA   LYS  88           HA       LYS  88  -8.700  -8.258   5.951
  683   1HB   LYS  88          2HB       LYS  88  -7.215  -7.174   7.867
  684   2HB   LYS  88          1HB       LYS  88  -6.819  -6.997   6.133
  685   1HG   LYS  88          2HG       LYS  88  -7.494  -4.830   6.087
  686   2HG   LYS  88          1HG       LYS  88  -8.535  -4.939   7.531
  687   1HD   LYS  88          2HD       LYS  88  -5.797  -5.603   8.197
  688   2HD   LYS  88          1HD       LYS  88  -5.854  -4.080   7.298
  689   1HE   LYS  88          2HE       LYS  88  -7.590  -4.744   9.666
  690   2HE   LYS  88          1HE       LYS  88  -6.021  -3.914   9.826
  691   1HZ   LYS  88          2HZ       LYS  88  -7.092  -2.350   8.052
  692   2HZ   LYS  88          1HZ       LYS  88  -8.552  -3.016   8.598
  693   3HZ   LYS  88          3HZ       LYS  88  -7.607  -2.177   9.691
   
  No H/Q in entry =         693
  Start of MODEL   15
    1   1H    MET   1          2H        MET   1 -22.450 -15.092   1.585
    2   2H    MET   1          1H        MET   1 -23.581 -16.350   1.854
    3   3H    MET   1          3H        MET   1 -22.852 -16.203   0.348
    4    HA   MET   1           HA       MET   1 -24.096 -14.476  -0.335
    5   1HB   MET   1          2HB       MET   1 -25.519 -16.478   1.068
    6   2HB   MET   1          1HB       MET   1 -26.188 -14.949   1.579
    7   1HG   MET   1          2HG       MET   1 -26.956 -14.423  -0.549
    8   2HG   MET   1          1HG       MET   1 -25.695 -15.360  -1.329
    9   1HE   MET   1          1HE       MET   1 -28.369 -15.897   1.421
   10   2HE   MET   1          3HE       MET   1 -28.798 -17.610   1.185
   11   3HE   MET   1          2HE       MET   1 -27.197 -17.175   1.684
   12    H    ALA   2           H        ALA   2 -26.166 -13.086   0.983
   13    HA   ALA   2           HA       ALA   2 -26.581 -11.140   2.192
   14   1HB   ALA   2          2HB       ALA   2 -25.632 -12.719   4.050
   15   2HB   ALA   2          1HB       ALA   2 -24.167 -11.734   3.951
   16   3HB   ALA   2          3HB       ALA   2 -25.677 -10.984   4.386
   17    HA   PRO   3           HA       PRO   3 -22.884  -9.231   0.116
   18   1HB   PRO   3          2HB       PRO   3 -24.013  -8.458  -2.196
   19   2HB   PRO   3          1HB       PRO   3 -23.305 -10.074  -1.988
   20   1HG   PRO   3          2HG       PRO   3 -26.196  -9.212  -2.037
   21   2HG   PRO   3          1HG       PRO   3 -25.517 -10.793  -2.528
   22   1HD   PRO   3          2HD       PRO   3 -26.817 -10.261  -0.090
   23   2HD   PRO   3          1HD       PRO   3 -25.815 -11.682  -0.483
   24    H    ALA   4           H        ALA   4 -23.015  -7.483   1.534
   25    HA   ALA   4           HA       ALA   4 -25.186  -5.502   1.127
   26   1HB   ALA   4          3HB       ALA   4 -24.727  -6.309   3.466
   27   2HB   ALA   4          2HB       ALA   4 -23.119  -5.583   3.297
   28   3HB   ALA   4          1HB       ALA   4 -24.589  -4.575   3.260
   29    H    GLN   5           H        GLN   5 -24.123  -3.130   1.537
   30    HA   GLN   5           HA       GLN   5 -22.066  -2.832  -0.534
   31   1HB   GLN   5          2HB       GLN   5 -23.786  -0.818   0.911
   32   2HB   GLN   5          1HB       GLN   5 -22.795  -0.499  -0.506
   33   1HG   GLN   5          2HG       GLN   5 -25.015  -2.558  -0.423
   34   2HG   GLN   5          1HG       GLN   5 -25.182  -0.949  -1.161
   35   1HE2  GLN   5          2HE2      GLN   5 -22.955  -1.901  -3.870
   36   2HE2  GLN   5          1HE2      GLN   5 -23.267  -0.515  -2.908
   37    HA   PRO   6           HA       PRO   6 -18.947  -2.460   2.762
   38   1HB   PRO   6          2HB       PRO   6 -17.531  -1.128   0.508
   39   2HB   PRO   6          1HB       PRO   6 -16.955  -2.375   1.663
   40   1HG   PRO   6          2HG       PRO   6 -17.614  -3.119  -0.897
   41   2HG   PRO   6          1HG       PRO   6 -18.111  -4.102   0.511
   42   1HD   PRO   6          2HD       PRO   6 -19.794  -2.219  -1.070
   43   2HD   PRO   6          1HD       PRO   6 -20.220  -3.813  -0.434
   44    H    LEU   7           H        LEU   7 -18.340  -0.676   3.982
   45    HA   LEU   7           HA       LEU   7 -19.892   1.550   4.170
   46   1HB   LEU   7          2HB       LEU   7 -17.235   0.725   5.100
   47   2HB   LEU   7          1HB       LEU   7 -17.429   2.463   5.108
   48    HG   LEU   7           HG       LEU   7 -18.124   1.356   7.300
   49   1HD1  LEU   7          1HD1      LEU   7 -19.386   3.424   5.982
   50   2HD1  LEU   7          3HD1      LEU   7 -20.704   2.339   6.289
   51   3HD1  LEU   7          2HD1      LEU   7 -19.748   2.930   7.641
   52   1HD2  LEU   7          2HD2      LEU   7 -18.928  -0.710   6.149
   53   2HD2  LEU   7          1HD2      LEU   7 -19.987  -0.069   7.421
   54   3HD2  LEU   7          3HD2      LEU   7 -20.398   0.185   5.729
   55    H    SER   8           H        SER   8 -16.613   1.592   2.817
   56    HA   SER   8           HA       SER   8 -15.506   3.088   1.383
   57   1HB   SER   8          2HB       SER   8 -16.980   3.727  -0.621
   58   2HB   SER   8          1HB       SER   8 -16.592   2.032  -0.376
   59    HG   SER   8           HG       SER   8 -19.004   3.434  -0.174
   60    H    GLU   9           H        GLU   9 -15.713   4.606   3.375
   61    HA   GLU   9           HA       GLU   9 -17.657   6.712   3.341
   62   1HB   GLU   9          2HB       GLU   9 -14.839   7.038   4.273
   63   2HB   GLU   9          1HB       GLU   9 -16.270   7.915   4.781
   64   1HG   GLU   9          2HG       GLU   9 -16.727   5.086   5.180
   65   2HG   GLU   9          1HG       GLU   9 -15.236   5.548   5.986
   66    H    ASN  10           H        ASN  10 -14.613   6.336   1.734
   67    HA   ASN  10           HA       ASN  10 -15.353   8.634  -0.053
   68   1HB   ASN  10          2HB       ASN  10 -12.530   8.744   0.338
   69   2HB   ASN  10          1HB       ASN  10 -13.783   9.949   0.586
   70   1HD2  ASN  10          2HD2      ASN  10 -12.205   8.319   3.910
   71   2HD2  ASN  10          1HD2      ASN  10 -11.518   8.048   2.370
   72    HA   PRO  11           HA       PRO  11 -12.787   5.914  -2.691
   73   1HB   PRO  11          2HB       PRO  11 -10.442   5.028  -1.789
   74   2HB   PRO  11          1HB       PRO  11 -10.755   6.800  -1.684
   75   1HG   PRO  11          2HG       PRO  11 -10.773   4.652   0.402
   76   2HG   PRO  11          1HG       PRO  11 -10.409   6.386   0.629
   77   1HD   PRO  11          2HD       PRO  11 -12.922   4.944   1.097
   78   2HD   PRO  11          1HD       PRO  11 -12.535   6.659   1.436
   79    HA   PRO  12           HA       PRO  12 -13.586   1.486  -1.980
   80   1HB   PRO  12          2HB       PRO  12 -13.652   0.774  -4.572
   81   2HB   PRO  12          1HB       PRO  12 -14.825   2.025  -4.092
   82   1HG   PRO  12          2HG       PRO  12 -11.998   2.390  -5.259
   83   2HG   PRO  12          1HG       PRO  12 -13.561   2.963  -5.921
   84   1HD   PRO  12          2HD       PRO  12 -12.068   4.601  -4.298
   85   2HD   PRO  12          1HD       PRO  12 -13.818   4.562  -4.216
   86    H    ASN  13           H        ASN  13 -11.062   2.365  -1.402
   87    HA   ASN  13           HA       ASN  13  -8.889   1.945  -1.262
   88   1HB   ASN  13          2HB       ASN  13  -9.008  -0.726  -2.655
   89   2HB   ASN  13          1HB       ASN  13  -8.167  -0.200  -1.205
   90   1HD2  ASN  13          2HD2      ASN  13 -11.026  -0.401   0.952
   91   2HD2  ASN  13          1HD2      ASN  13  -9.706   0.605   0.699
   92    H    HIS  14           H        HIS  14  -6.920   1.574  -2.469
   93    HA   HIS  14           HA       HIS  14  -6.090   1.632  -5.006
   94   1HB   HIS  14          2HB       HIS  14  -6.272   4.021  -5.715
   95   2HB   HIS  14          1HB       HIS  14  -7.638   3.014  -6.093
   96    HD1  HIS  14           HD1      HIS  14  -6.551   5.064  -2.980
   97    HD2  HIS  14           HD2      HIS  14  -9.815   4.556  -5.515
   98    HE1  HIS  14           HE1      HIS  14  -8.296   6.608  -2.120
   99    HE2  HIS  14           HE2      HIS  14 -10.352   6.371  -3.608
  100    H    ILE  15           H        ILE  15  -6.210   3.261  -1.961
  101    HA   ILE  15           HA       ILE  15  -3.528   4.483  -2.234
  102    HB   ILE  15           HB       ILE  15  -5.983   5.679  -1.095
  103   1HG1  ILE  15          2HG1      ILE  15  -3.297   6.782  -1.864
  104   2HG1  ILE  15          1HG1      ILE  15  -4.590   6.498  -3.063
  105   1HG2  ILE  15          1HG2      ILE  15  -3.426   5.536   0.428
  106   2HG2  ILE  15          3HG2      ILE  15  -4.494   6.907   0.615
  107   3HG2  ILE  15          2HG2      ILE  15  -5.058   5.275   1.007
  108   1HD1  ILE  15          2HD1      ILE  15  -6.039   7.838  -1.398
  109   2HD1  ILE  15          1HD1      ILE  15  -4.536   8.608  -0.925
  110   3HD1  ILE  15          3HD1      ILE  15  -5.127   8.683  -2.611
  111    H    LEU  16           H        LEU  16  -2.134   3.251  -0.980
  112    HA   LEU  16           HA       LEU  16  -3.255   1.720   1.303
  113   1HB   LEU  16          2HB       LEU  16  -0.931   1.206  -0.623
  114   2HB   LEU  16          1HB       LEU  16  -1.273   0.225   0.795
  115    HG   LEU  16           HG       LEU  16  -3.706   0.375  -0.420
  116   1HD1  LEU  16          1HD1      LEU  16  -2.211   1.570  -2.322
  117   2HD1  LEU  16          3HD1      LEU  16  -1.870  -0.130  -2.716
  118   3HD1  LEU  16          2HD1      LEU  16  -3.535   0.477  -2.717
  119   1HD2  LEU  16          3HD2      LEU  16  -1.430  -1.603  -0.916
  120   2HD2  LEU  16          2HD2      LEU  16  -2.816  -1.800   0.199
  121   3HD2  LEU  16          1HD2      LEU  16  -3.030  -1.833  -1.563
  122    H    PHE  17           H        PHE  17  -2.911   2.709   3.051
  123    HA   PHE  17           HA       PHE  17  -0.412   4.107   3.597
  124   1HB   PHE  17          2HB       PHE  17  -2.068   5.816   3.759
  125   2HB   PHE  17          1HB       PHE  17  -3.215   4.742   4.543
  126    HD1  PHE  17           HD2      PHE  17   0.421   5.383   5.161
  127    HD2  PHE  17           HD1      PHE  17  -3.513   5.284   6.880
  128    HE1  PHE  17           HE2      PHE  17   1.356   5.894   7.447
  129    HE2  PHE  17           HE1      PHE  17  -2.578   5.783   9.105
  130    HZ   PHE  17           HZ       PHE  17  -0.126   6.081   9.383
  131    H    LEU  18           H        LEU  18   0.701   3.262   5.097
  132    HA   LEU  18           HA       LEU  18   0.082   2.385   7.545
  133   1HB   LEU  18          2HB       LEU  18  -1.428   0.708   6.499
  134   2HB   LEU  18          1HB       LEU  18  -0.058  -0.276   6.227
  135    HG   LEU  18           HG       LEU  18   0.250   0.227   8.884
  136   1HD1  LEU  18          1HD1      LEU  18  -2.453   1.321   8.214
  137   2HD1  LEU  18          3HD1      LEU  18  -1.949   0.742   9.819
  138   3HD1  LEU  18          2HD1      LEU  18  -1.085   2.070   9.049
  139   1HD2  LEU  18          1HD2      LEU  18  -1.802  -1.393   7.384
  140   2HD2  LEU  18          3HD2      LEU  18  -0.560  -1.978   8.461
  141   3HD2  LEU  18          2HD2      LEU  18  -2.048  -1.244   9.121
  142    H    THR  19           H        THR  19   1.805   0.294   7.837
  143    HA   THR  19           HA       THR  19   4.357   1.478   6.952
  144    HB   THR  19           HB       THR  19   4.085   2.841   8.838
  145    HG1  THR  19          1HG       THR  19   5.453   1.979  10.343
  146   1HG2  THR  19          3HG2      THR  19   2.256   0.679   9.774
  147   2HG2  THR  19          2HG2      THR  19   3.032   1.676  10.966
  148   3HG2  THR  19          1HG2      THR  19   2.003   2.423   9.701
  149    H    ASN  20           H        ASN  20   5.968   0.204   8.249
  150    HA   ASN  20           HA       ASN  20   6.665  -1.616   9.372
  151   1HB   ASN  20          2HB       ASN  20   4.270  -2.618   9.550
  152   2HB   ASN  20          1HB       ASN  20   4.729  -3.547   8.101
  153   1HD2  ASN  20          2HD2      ASN  20   5.832  -4.949  11.534
  154   2HD2  ASN  20          1HD2      ASN  20   4.413  -4.057  11.175
  155    H    LEU  21           H        LEU  21   7.157  -0.269   6.841
  156    HA   LEU  21           HA       LEU  21   8.603  -2.462   5.451
  157   1HB   LEU  21          2HB       LEU  21   8.496  -0.386   3.651
  158   2HB   LEU  21          1HB       LEU  21   7.445  -1.805   3.643
  159    HG   LEU  21           HG       LEU  21   5.835  -0.543   5.144
  160   1HD1  LEU  21          3HD1      LEU  21   7.602   1.270   5.762
  161   2HD1  LEU  21          2HD1      LEU  21   7.398   1.884   4.150
  162   3HD1  LEU  21          1HD1      LEU  21   6.016   1.876   5.267
  163   1HD2  LEU  21          3HD2      LEU  21   6.098  -0.778   2.494
  164   2HD2  LEU  21          2HD2      LEU  21   4.726  -0.016   3.316
  165   3HD2  LEU  21          1HD2      LEU  21   6.003   0.988   2.654
  166    HA   PRO  22           HA       PRO  22  11.837   0.533   6.897
  167   1HB   PRO  22          2HB       PRO  22  12.560  -0.709   9.153
  168   2HB   PRO  22          1HB       PRO  22  10.944  -0.007   9.040
  169   1HG   PRO  22          2HG       PRO  22  11.820  -2.878   9.023
  170   2HG   PRO  22          1HG       PRO  22  10.235  -2.205   9.523
  171   1HD   PRO  22          2HD       PRO  22  11.084  -3.173   6.883
  172   2HD   PRO  22          1HD       PRO  22   9.467  -2.810   7.500
  173    H    GLU  23           H        GLU  23  14.074  -0.476   8.009
  174    HA   GLU  23           HA       GLU  23  15.946  -1.797   7.763
  175   1HB   GLU  23          2HB       GLU  23  14.909  -2.779   5.066
  176   2HB   GLU  23          1HB       GLU  23  16.339  -3.298   5.934
  177   1HG   GLU  23          2HG       GLU  23  15.001  -4.073   7.810
  178   2HG   GLU  23          1HG       GLU  23  13.511  -3.725   6.925
  179    H    GLU  24           H        GLU  24  15.744   0.890   7.320
  180    HA   GLU  24           HA       GLU  24  16.875   2.638   6.323
  181   1HB   GLU  24          2HB       GLU  24  18.617   0.317   5.817
  182   2HB   GLU  24          1HB       GLU  24  18.803   1.583   4.605
  183   1HG   GLU  24          2HG       GLU  24  18.762   3.179   6.698
  184   2HG   GLU  24          1HG       GLU  24  19.308   1.719   7.560
  185    H    THR  25           H        THR  25  14.622   1.126   5.245
  186    HA   THR  25           HA       THR  25  14.619   0.824   2.493
  187    HB   THR  25           HB       THR  25  12.768   0.535   4.473
  188    HG1  THR  25          1HG       THR  25  12.678  -0.413   2.355
  189   1HG2  THR  25          2HG2      THR  25  12.569   3.073   4.483
  190   2HG2  THR  25          1HG2      THR  25  11.700   2.892   2.963
  191   3HG2  THR  25          3HG2      THR  25  11.084   2.126   4.419
  192    H    ASN  26           H        ASN  26  13.569   2.390   0.835
  193    HA   ASN  26           HA       ASN  26  13.621   5.220   1.787
  194   1HB   ASN  26          2HB       ASN  26  15.317   6.004   0.553
  195   2HB   ASN  26          1HB       ASN  26  15.860   4.318   0.755
  196   1HD2  ASN  26          2HD2      ASN  26  15.948   3.913  -2.775
  197   2HD2  ASN  26          1HD2      ASN  26  16.579   3.351  -1.336
  198    H    GLU  27           H        GLU  27  12.778   6.744   0.236
  199    HA   GLU  27           HA       GLU  27  10.181   5.949  -0.699
  200   1HB   GLU  27          2HB       GLU  27  10.375   8.025   0.246
  201   2HB   GLU  27          1HB       GLU  27  11.499   8.633  -1.007
  202   1HG   GLU  27          2HG       GLU  27   8.972   7.438  -1.987
  203   2HG   GLU  27          1HG       GLU  27   8.723   8.792  -0.910
  204    H    LEU  28           H        LEU  28  13.286   6.712  -2.603
  205    HA   LEU  28           HA       LEU  28  11.705   6.821  -5.015
  206   1HB   LEU  28          2HB       LEU  28  13.891   6.760  -6.232
  207   2HB   LEU  28          1HB       LEU  28  13.702   8.107  -5.109
  208    HG   LEU  28           HG       LEU  28  15.084   5.664  -4.055
  209   1HD1  LEU  28          1HD1      LEU  28  16.032   7.417  -6.282
  210   2HD1  LEU  28          3HD1      LEU  28  17.155   6.708  -5.145
  211   3HD1  LEU  28          2HD1      LEU  28  16.146   5.665  -6.140
  212   1HD2  LEU  28          2HD2      LEU  28  14.929   8.608  -3.714
  213   2HD2  LEU  28          1HD2      LEU  28  15.390   7.447  -2.498
  214   3HD2  LEU  28          3HD2      LEU  28  16.574   7.997  -3.700
  215    H    MET  29           H        MET  29  13.089   4.502  -2.965
  216    HA   MET  29           HA       MET  29  13.404   2.224  -4.704
  217   1HB   MET  29          2HB       MET  29  14.258   2.758  -2.297
  218   2HB   MET  29          1HB       MET  29  12.725   2.186  -1.721
  219   1HG   MET  29          2HG       MET  29  13.362   0.061  -3.211
  220   2HG   MET  29          1HG       MET  29  14.982   0.766  -3.147
  221   1HE   MET  29          2HE       MET  29  16.347   1.017  -1.556
  222   2HE   MET  29          1HE       MET  29  15.428   2.030  -0.490
  223   3HE   MET  29          3HE       MET  29  16.279   0.597   0.181
  224    H    LEU  30           H        LEU  30  11.091   3.087  -2.117
  225    HA   LEU  30           HA       LEU  30   9.129   1.147  -2.788
  226   1HB   LEU  30          2HB       LEU  30   9.315   3.425  -0.924
  227   2HB   LEU  30          1HB       LEU  30   7.673   3.078  -1.505
  228    HG   LEU  30           HG       LEU  30   8.130   0.681  -1.009
  229   1HD1  LEU  30          2HD1      LEU  30  10.653   1.251  -0.908
  230   2HD1  LEU  30          1HD1      LEU  30  10.329   1.606   0.793
  231   3HD1  LEU  30          3HD1      LEU  30  10.007  -0.016   0.144
  232   1HD2  LEU  30          2HD2      LEU  30   7.742   2.793   1.101
  233   2HD2  LEU  30          1HD2      LEU  30   6.757   1.367   0.675
  234   3HD2  LEU  30          3HD2      LEU  30   8.160   1.195   1.684
  235    H    SER  31           H        SER  31   9.934   4.281  -3.879
  236    HA   SER  31           HA       SER  31   7.565   5.112  -5.166
  237   1HB   SER  31          2HB       SER  31   9.218   6.823  -5.018
  238   2HB   SER  31          1HB       SER  31  10.409   5.710  -5.757
  239    HG   SER  31           HG       SER  31   8.398   7.302  -6.810
  240    H    MET  32           H        MET  32  10.497   3.519  -6.386
  241    HA   MET  32           HA       MET  32   9.411   3.077  -9.065
  242   1HB   MET  32          2HB       MET  32  11.307   1.817  -9.577
  243   2HB   MET  32          1HB       MET  32  11.896   3.191  -8.653
  244   1HG   MET  32          2HG       MET  32  12.104   1.932  -6.630
  245   2HG   MET  32          1HG       MET  32  11.462   0.465  -7.374
  246   1HE   MET  32          3HE       MET  32  12.287  -0.020  -9.767
  247   2HE   MET  32          2HE       MET  32  13.265   1.302 -10.413
  248   3HE   MET  32          1HE       MET  32  13.990  -0.299 -10.116
  249    H    LEU  33           H        LEU  33   9.383   1.215  -6.047
  250    HA   LEU  33           HA       LEU  33   8.679  -1.350  -7.166
  251   1HB   LEU  33          2HB       LEU  33   8.874  -0.038  -4.505
  252   2HB   LEU  33          1HB       LEU  33   7.562  -1.205  -4.625
  253    HG   LEU  33           HG       LEU  33  10.498  -1.759  -5.189
  254   1HD1  LEU  33          2HD1      LEU  33   9.518  -1.244  -2.813
  255   2HD1  LEU  33          1HD1      LEU  33   8.916  -2.880  -2.888
  256   3HD1  LEU  33          3HD1      LEU  33  10.667  -2.552  -3.053
  257   1HD2  LEU  33          3HD2      LEU  33   8.139  -3.284  -5.900
  258   2HD2  LEU  33          2HD2      LEU  33   9.805  -3.848  -5.928
  259   3HD2  LEU  33          1HD2      LEU  33   8.862  -4.069  -4.490
  260    H    PHE  34           H        PHE  34   7.150   1.530  -5.989
  261    HA   PHE  34           HA       PHE  34   4.495   0.408  -6.459
  262   1HB   PHE  34          2HB       PHE  34   5.460   3.117  -5.491
  263   2HB   PHE  34          1HB       PHE  34   3.744   2.917  -5.893
  264    HD1  PHE  34           HD2      PHE  34   3.167   0.278  -5.108
  265    HD2  PHE  34           HD1      PHE  34   5.612   3.059  -3.034
  266    HE1  PHE  34           HE2      PHE  34   2.663  -0.931  -2.983
  267    HE2  PHE  34           HE1      PHE  34   5.130   1.916  -0.982
  268    HZ   PHE  34           HZ       PHE  34   3.648  -0.120  -0.883
  269    H    ASN  35           H        ASN  35   6.798   2.212  -8.121
  270    HA   ASN  35           HA       ASN  35   5.283   3.352 -10.249
  271   1HB   ASN  35          2HB       ASN  35   7.720   3.842  -9.648
  272   2HB   ASN  35          1HB       ASN  35   8.128   2.325 -10.454
  273   1HD2  ASN  35          1HD2      ASN  35   8.272   4.859 -13.145
  274   2HD2  ASN  35          2HD2      ASN  35   9.260   4.384 -11.855
  275    H    GLN  36           H        GLN  36   6.781   0.267  -9.729
  276    HA   GLN  36           HA       GLN  36   6.816  -1.303 -11.839
  277   1HB   GLN  36          2HB       GLN  36   5.331  -1.580  -9.261
  278   2HB   GLN  36          1HB       GLN  36   5.279  -2.932 -10.340
  279   1HG   GLN  36          2HG       GLN  36   7.950  -2.458 -10.421
  280   2HG   GLN  36          1HG       GLN  36   7.595  -1.774  -8.824
  281   1HE2  GLN  36          2HE2      GLN  36   6.812  -4.955  -7.357
  282   2HE2  GLN  36          1HE2      GLN  36   6.491  -3.268  -7.270
  283    H    PHE  37           H        PHE  37   3.839  -0.089 -10.506
  284    HA   PHE  37           HA       PHE  37   2.047  -1.437 -12.328
  285   1HB   PHE  37          2HB       PHE  37   1.657   0.208  -9.880
  286   2HB   PHE  37          1HB       PHE  37   0.306  -0.415 -10.775
  287    HD1  PHE  37           HD2      PHE  37   0.201  -2.957 -11.229
  288    HD2  PHE  37           HD1      PHE  37   3.076  -1.308  -8.555
  289    HE1  PHE  37           HE2      PHE  37   0.646  -5.206 -10.319
  290    HE2  PHE  37           HE1      PHE  37   3.512  -3.597  -7.639
  291    HZ   PHE  37           HZ       PHE  37   2.334  -5.511  -8.485
  292    HA   PRO  38           HA       PRO  38   1.791   2.058 -15.212
  293   1HB   PRO  38          2HB       PRO  38  -0.383   1.150 -16.549
  294   2HB   PRO  38          1HB       PRO  38   1.248   0.477 -16.895
  295   1HG   PRO  38          2HG       PRO  38  -0.935  -0.630 -15.034
  296   2HG   PRO  38          1HG       PRO  38  -0.008  -1.508 -16.230
  297   1HD   PRO  38          2HD       PRO  38   0.800  -1.676 -13.764
  298   2HD   PRO  38          1HD       PRO  38   2.001  -1.329 -15.033
  299    H    GLY  39           H        GLY  39   0.938   3.812 -14.264
  300   1HA   GLY  39          2HA       GLY  39  -1.271   5.142 -14.187
  301   2HA   GLY  39          1HA       GLY  39  -1.916   3.717 -13.376
  302    H    PHE  40           H        PHE  40   0.721   3.320 -12.044
  303    HA   PHE  40           HA       PHE  40   0.486   3.850  -9.448
  304   1HB   PHE  40          2HB       PHE  40   2.550   2.980 -10.119
  305   2HB   PHE  40          1HB       PHE  40   2.829   4.285 -11.254
  306    HD1  PHE  40           HD2      PHE  40   1.775   3.974  -7.718
  307    HD2  PHE  40           HD1      PHE  40   4.551   5.855 -10.474
  308    HE1  PHE  40           HE2      PHE  40   2.737   5.183  -5.860
  309    HE2  PHE  40           HE1      PHE  40   5.510   7.104  -8.563
  310    HZ   PHE  40           HZ       PHE  40   4.675   6.810  -6.291
  311    H    LYS  41           H        LYS  41   0.374   5.732  -8.053
  312    HA   LYS  41           HA       LYS  41   0.732   8.345  -9.584
  313   1HB   LYS  41          2HB       LYS  41  -0.770   8.449  -7.064
  314   2HB   LYS  41          1HB       LYS  41  -0.923   9.376  -8.552
  315   1HG   LYS  41          2HG       LYS  41  -2.014   7.401  -9.646
  316   2HG   LYS  41          1HG       LYS  41  -1.888   6.593  -8.049
  317   1HD   LYS  41          2HD       LYS  41  -4.079   7.571  -8.158
  318   2HD   LYS  41          1HD       LYS  41  -3.106   8.425  -6.978
  319   1HE   LYS  41          2HE       LYS  41  -2.579   9.630  -9.485
  320   2HE   LYS  41          1HE       LYS  41  -4.315   9.575  -9.281
  321   1HZ   LYS  41          1HZ       LYS  41  -3.438  10.324  -6.834
  322   2HZ   LYS  41          3HZ       LYS  41  -2.418  11.215  -7.897
  323   3HZ   LYS  41          2HZ       LYS  41  -4.078  11.352  -8.026
  324    H    GLU  42           H        GLU  42   0.697   7.486  -6.102
  325    HA   GLU  42           HA       GLU  42   3.286   8.966  -5.905
  326   1HB   GLU  42          2HB       GLU  42   0.743   9.658  -4.423
  327   2HB   GLU  42          1HB       GLU  42   2.327  10.293  -4.016
  328   1HG   GLU  42          2HG       GLU  42   1.142  10.610  -6.798
  329   2HG   GLU  42          1HG       GLU  42   0.777  11.744  -5.535
  330    H    VAL  43           H        VAL  43   4.315   8.749  -3.959
  331    HA   VAL  43           HA       VAL  43   3.556   6.590  -2.155
  332    HB   VAL  43           HB       VAL  43   6.287   6.694  -3.395
  333   1HG1  VAL  43          2HG1      VAL  43   5.861   5.742  -1.059
  334   2HG1  VAL  43          1HG1      VAL  43   4.953   4.452  -1.839
  335   3HG1  VAL  43          3HG1      VAL  43   6.652   4.644  -2.237
  336   1HG2  VAL  43          1HG2      VAL  43   4.046   5.804  -4.681
  337   2HG2  VAL  43          3HG2      VAL  43   5.677   5.438  -5.171
  338   3HG2  VAL  43          2HG2      VAL  43   4.754   4.317  -4.138
  339    H    ARG  44           H        ARG  44   3.907   7.252  -0.224
  340    HA   ARG  44           HA       ARG  44   5.545   9.638   0.409
  341   1HB   ARG  44          2HB       ARG  44   2.851   9.286   0.656
  342   2HB   ARG  44          1HB       ARG  44   3.365   8.748   2.227
  343   1HG   ARG  44          2HG       ARG  44   3.050  11.111   2.486
  344   2HG   ARG  44          1HG       ARG  44   4.769  10.893   2.367
  345   1HD   ARG  44          2HD       ARG  44   3.295  12.592   0.833
  346   2HD   ARG  44          1HD       ARG  44   4.962  12.134   0.523
  347    HE   ARG  44           HE       ARG  44   3.643  10.170  -0.865
  348   1HH1  ARG  44          2HH1      ARG  44   1.517  12.563  -0.319
  349   2HH1  ARG  44          1HH1      ARG  44   1.456  13.144  -1.955
  350   1HH2  ARG  44          2HH2      ARG  44   4.191  11.368  -3.030
  351   2HH2  ARG  44          1HH2      ARG  44   2.904  12.493  -3.426
  352    H    LEU  45           H        LEU  45   7.376   8.622   0.964
  353    HA   LEU  45           HA       LEU  45   7.393   6.850   3.313
  354   1HB   LEU  45          2HB       LEU  45   7.970   5.925   0.854
  355   2HB   LEU  45          1HB       LEU  45   9.548   6.522   1.295
  356    HG   LEU  45           HG       LEU  45   7.916   4.284   2.509
  357   1HD1  LEU  45          2HD1      LEU  45   9.940   4.278   0.798
  358   2HD1  LEU  45          1HD1      LEU  45  10.885   4.527   2.277
  359   3HD1  LEU  45          3HD1      LEU  45   9.915   3.086   2.105
  360   1HD2  LEU  45          3HD2      LEU  45   9.609   6.203   4.007
  361   2HD2  LEU  45          2HD2      LEU  45   8.303   5.156   4.581
  362   3HD2  LEU  45          1HD2      LEU  45   9.933   4.500   4.257
  363    H    VAL  46           H        VAL  46   7.947   8.815   4.630
  364    HA   VAL  46           HA       VAL  46   9.995  10.574   3.737
  365    HB   VAL  46           HB       VAL  46   7.905  10.506   5.787
  366   1HG1  VAL  46          1HG1      VAL  46  10.576  11.880   6.145
  367   2HG1  VAL  46          3HG1      VAL  46   9.124  12.599   6.818
  368   3HG1  VAL  46          2HG1      VAL  46   9.669  11.015   7.397
  369   1HG2  VAL  46          1HG2      VAL  46   7.853  11.636   3.537
  370   2HG2  VAL  46          3HG2      VAL  46   7.577  12.754   4.871
  371   3HG2  VAL  46          2HG2      VAL  46   9.141  12.681   4.098
  372    HA   PRO  47           HA       PRO  47  13.347   8.082   5.444
  373   1HB   PRO  47          2HB       PRO  47  14.453  10.961   5.283
  374   2HB   PRO  47          1HB       PRO  47  15.294   9.439   4.902
  375   1HG   PRO  47          2HG       PRO  47  14.176  10.776   2.860
  376   2HG   PRO  47          1HG       PRO  47  13.902   9.014   2.956
  377   1HD   PRO  47          2HD       PRO  47  12.122  11.349   3.821
  378   2HD   PRO  47          1HD       PRO  47  11.706   9.902   2.889
  379    H    GLY  48           H        GLY  48  11.969  10.932   7.083
  380   1HA   GLY  48          2HA       GLY  48  13.556  10.624   9.481
  381   2HA   GLY  48          1HA       GLY  48  11.931  11.303   9.456
  382    H    ARG  49           H        ARG  49  10.746   9.148   8.117
  383    HA   ARG  49           HA       ARG  49  10.230   7.125  10.204
  384   1HB   ARG  49          2HB       ARG  49   9.008   7.630   7.474
  385   2HB   ARG  49          1HB       ARG  49   8.451   6.456   8.671
  386   1HG   ARG  49          2HG       ARG  49   8.800   9.232   9.621
  387   2HG   ARG  49          1HG       ARG  49   7.471   8.938   8.513
  388   1HD   ARG  49          2HD       ARG  49   6.533   8.407  10.614
  389   2HD   ARG  49          1HD       ARG  49   7.014   6.837   9.920
  390    HE   ARG  49           HE       ARG  49   8.816   6.654  11.364
  391   1HH1  ARG  49          1HH1      ARG  49   8.801   9.924  11.618
  392   2HH1  ARG  49          2HH1      ARG  49   8.669   9.995  13.349
  393   1HH2  ARG  49          2HH2      ARG  49   7.909   6.720  13.812
  394   2HH2  ARG  49          1HH2      ARG  49   8.189   8.247  14.565
  395    H    HIS  50           H        HIS  50  10.582   6.832   6.738
  396    HA   HIS  50           HA       HIS  50  11.589   5.138   5.430
  397   1HB   HIS  50          2HB       HIS  50  12.920   4.032   7.967
  398   2HB   HIS  50          1HB       HIS  50  13.276   3.641   6.315
  399    HD1  HIS  50           HD1      HIS  50  14.150   5.930   4.846
  400    HD2  HIS  50           HD2      HIS  50  14.750   5.715   8.977
  401    HE1  HIS  50           HE1      HIS  50  16.024   7.549   5.408
  402    HE2  HIS  50           HE2      HIS  50  16.432   7.464   7.916
  403    H    ASP  51           H        ASP  51   9.305   5.100   7.551
  404    HA   ASP  51           HA       ASP  51   8.798   2.216   7.165
  405   1HB   ASP  51          2HB       ASP  51   8.276   1.762   9.540
  406   2HB   ASP  51          1HB       ASP  51   9.900   2.461   9.474
  407    H    ILE  52           H        ILE  52   7.370   5.171   6.953
  408    HA   ILE  52           HA       ILE  52   4.690   4.008   7.346
  409    HB   ILE  52           HB       ILE  52   3.745   6.150   7.751
  410   1HG1  ILE  52          2HG1      ILE  52   5.747   7.863   8.516
  411   2HG1  ILE  52          1HG1      ILE  52   6.390   7.145   7.005
  412   1HG2  ILE  52          2HG2      ILE  52   5.906   5.137   9.570
  413   2HG2  ILE  52          1HG2      ILE  52   5.060   6.606   9.979
  414   3HG2  ILE  52          3HG2      ILE  52   4.140   5.139   9.791
  415   1HD1  ILE  52          2HD1      ILE  52   4.283   7.737   5.839
  416   2HD1  ILE  52          1HD1      ILE  52   3.746   8.523   7.288
  417   3HD1  ILE  52          3HD1      ILE  52   5.190   9.130   6.436
  418    H    ALA  53           H        ALA  53   3.884   3.554   5.433
  419    HA   ALA  53           HA       ALA  53   4.825   5.053   3.046
  420   1HB   ALA  53          1HB       ALA  53   4.323   2.221   3.721
  421   2HB   ALA  53          3HB       ALA  53   3.801   2.724   2.102
  422   3HB   ALA  53          2HB       ALA  53   5.481   2.919   2.544
  423    H    PHE  54           H        PHE  54   3.391   6.230   2.112
  424    HA   PHE  54           HA       PHE  54   0.534   5.580   2.020
  425   1HB   PHE  54          2HB       PHE  54   1.701   7.979   2.955
  426   2HB   PHE  54          1HB       PHE  54   1.208   8.316   1.276
  427    HD1  PHE  54           HD2      PHE  54  -1.168   8.140   0.633
  428    HD2  PHE  54           HD1      PHE  54   0.173   7.717   4.674
  429    HE1  PHE  54           HE2      PHE  54  -3.486   8.526   1.428
  430    HE2  PHE  54           HE1      PHE  54  -2.188   8.103   5.507
  431    HZ   PHE  54           HZ       PHE  54  -3.996   8.509   3.808
  432    H    VAL  55           H        VAL  55   0.305   4.483   0.313
  433    HA   VAL  55           HA       VAL  55   1.662   5.270  -2.249
  434    HB   VAL  55           HB       VAL  55   0.467   2.762  -1.101
  435   1HG1  VAL  55          3HG1      VAL  55   0.627   3.160  -3.774
  436   2HG1  VAL  55          2HG1      VAL  55   2.317   2.742  -3.468
  437   3HG1  VAL  55          1HG1      VAL  55   1.071   1.583  -3.063
  438   1HG2  VAL  55          2HG2      VAL  55   2.547   3.678  -0.019
  439   2HG2  VAL  55          1HG2      VAL  55   2.685   2.064  -0.627
  440   3HG2  VAL  55          3HG2      VAL  55   3.343   3.443  -1.565
  441    H    GLU  56           H        GLU  56   0.296   6.477  -3.286
  442    HA   GLU  56           HA       GLU  56  -2.527   6.010  -3.663
  443   1HB   GLU  56          2HB       GLU  56  -0.596   8.185  -4.536
  444   2HB   GLU  56          1HB       GLU  56  -2.208   8.090  -5.158
  445   1HG   GLU  56          2HG       GLU  56  -3.181   8.713  -3.110
  446   2HG   GLU  56          1HG       GLU  56  -1.848   7.975  -2.216
  447    H    PHE  57           H        PHE  57  -2.990   4.528  -5.142
  448    HA   PHE  57           HA       PHE  57  -1.537   4.185  -7.727
  449   1HB   PHE  57          2HB       PHE  57  -3.333   2.375  -6.016
  450   2HB   PHE  57          1HB       PHE  57  -3.018   2.111  -7.703
  451    HD1  PHE  57           HD1      PHE  57  -0.681   1.726  -8.544
  452    HD2  PHE  57           HD2      PHE  57  -1.845   1.523  -4.380
  453    HE1  PHE  57           HE1      PHE  57   1.309   0.319  -8.019
  454    HE2  PHE  57           HE2      PHE  57   0.143   0.122  -3.872
  455    HZ   PHE  57           HZ       PHE  57   1.663  -0.461  -5.743
  456    H    ASP  58           H        ASP  58  -2.677   5.293  -9.191
  457    HA   ASP  58           HA       ASP  58  -5.041   6.474  -9.376
  458   1HB   ASP  58          2HB       ASP  58  -3.314   5.774 -11.260
  459   2HB   ASP  58          1HB       ASP  58  -4.556   4.519 -11.546
  460    H    ASN  59           H        ASN  59  -4.781   2.880  -9.352
  461    HA   ASN  59           HA       ASN  59  -7.598   2.925  -8.636
  462   1HB   ASN  59          2HB       ASN  59  -8.513   1.679 -10.433
  463   2HB   ASN  59          1HB       ASN  59  -7.517   2.939 -11.198
  464   1HD2  ASN  59          2HD2      ASN  59  -5.654   0.538 -12.938
  465   2HD2  ASN  59          1HD2      ASN  59  -6.250   2.151 -12.832
  466    H    GLU  60           H        GLU  60  -8.461   1.071  -7.862
  467    HA   GLU  60           HA       GLU  60  -6.720  -0.463  -6.258
  468   1HB   GLU  60          2HB       GLU  60  -8.742  -1.752  -5.652
  469   2HB   GLU  60          1HB       GLU  60  -8.830  -0.002  -5.456
  470   1HG   GLU  60          2HG       GLU  60 -10.927  -0.562  -6.434
  471   2HG   GLU  60          1HG       GLU  60 -10.000  -0.059  -7.864
  472    H    VAL  61           H        VAL  61  -7.600  -1.245  -9.620
  473    HA   VAL  61           HA       VAL  61  -7.230  -4.097  -9.277
  474    HB   VAL  61           HB       VAL  61  -6.906  -2.301 -11.737
  475   1HG1  VAL  61          2HG1      VAL  61  -5.676  -4.602 -11.643
  476   2HG1  VAL  61          1HG1      VAL  61  -7.317  -5.275 -11.774
  477   3HG1  VAL  61          3HG1      VAL  61  -6.652  -4.265 -13.033
  478   1HG2  VAL  61          3HG2      VAL  61  -9.198  -3.678 -10.412
  479   2HG2  VAL  61          2HG2      VAL  61  -9.134  -2.181 -11.384
  480   3HG2  VAL  61          1HG2      VAL  61  -9.085  -3.763 -12.177
  481    H    GLN  62           H        GLN  62  -5.332  -1.347 -10.153
  482    HA   GLN  62           HA       GLN  62  -2.781  -2.796 -10.260
  483   1HB   GLN  62          2HB       GLN  62  -1.649  -0.594 -10.350
  484   2HB   GLN  62          1HB       GLN  62  -2.735  -0.824 -11.679
  485   1HG   GLN  62          2HG       GLN  62  -4.404   0.583 -10.510
  486   2HG   GLN  62          1HG       GLN  62  -3.331   0.663  -9.126
  487   1HE2  GLN  62          1HE2      GLN  62  -1.145   2.522 -11.794
  488   2HE2  GLN  62          2HE2      GLN  62  -1.204   0.859 -11.649
  489    H    ALA  63           H        ALA  63  -4.518  -0.859  -7.761
  490    HA   ALA  63           HA       ALA  63  -2.211  -0.753  -6.126
  491   1HB   ALA  63          1HB       ALA  63  -4.716   0.478  -6.085
  492   2HB   ALA  63          3HB       ALA  63  -4.917  -0.732  -4.836
  493   3HB   ALA  63          2HB       ALA  63  -3.657   0.499  -4.686
  494    H    GLY  64           H        GLY  64  -4.962  -2.750  -6.618
  495   1HA   GLY  64          2HA       GLY  64  -4.634  -4.609  -4.524
  496   2HA   GLY  64          1HA       GLY  64  -5.582  -4.881  -6.017
  497    H    ALA  65           H        ALA  65  -3.397  -4.304  -7.866
  498    HA   ALA  65           HA       ALA  65  -2.218  -6.915  -8.122
  499   1HB   ALA  65          1HB       ALA  65  -2.640  -5.257 -10.033
  500   2HB   ALA  65          3HB       ALA  65  -1.251  -4.334  -9.375
  501   3HB   ALA  65          2HB       ALA  65  -1.068  -6.006  -9.969
  502    H    ALA  66           H        ALA  66  -0.715  -3.756  -7.387
  503    HA   ALA  66           HA       ALA  66   1.884  -4.620  -6.546
  504   1HB   ALA  66          1HB       ALA  66   0.054  -2.281  -6.131
  505   2HB   ALA  66          3HB       ALA  66   1.260  -2.497  -4.908
  506   3HB   ALA  66          2HB       ALA  66   1.779  -2.297  -6.585
  507    H    ARG  67           H        ARG  67  -0.998  -4.037  -4.623
  508    HA   ARG  67           HA       ARG  67   0.070  -4.756  -2.070
  509   1HB   ARG  67          2HB       ARG  67  -2.100  -3.479  -2.641
  510   2HB   ARG  67          1HB       ARG  67  -2.816  -5.068  -2.821
  511   1HG   ARG  67          2HG       ARG  67  -1.195  -4.236  -0.414
  512   2HG   ARG  67          1HG       ARG  67  -2.923  -3.850  -0.495
  513   1HD   ARG  67          2HD       ARG  67  -2.293  -6.697  -1.062
  514   2HD   ARG  67          1HD       ARG  67  -1.773  -6.136   0.549
  515    HE   ARG  67           HE       ARG  67  -4.551  -5.951  -0.548
  516   1HH1  ARG  67          2HH1      ARG  67  -4.091  -4.235   1.790
  517   2HH1  ARG  67          1HH1      ARG  67  -4.494  -5.305   3.122
  518   1HH2  ARG  67          1HH2      ARG  67  -4.269  -8.179   1.172
  519   2HH2  ARG  67          2HH2      ARG  67  -4.574  -7.545   2.780
  520    H    ASP  68           H        ASP  68  -1.715  -6.736  -4.500
  521    HA   ASP  68           HA       ASP  68  -1.603  -9.081  -2.875
  522   1HB   ASP  68          2HB       ASP  68  -2.066  -8.909  -5.923
  523   2HB   ASP  68          1HB       ASP  68  -2.217 -10.346  -4.967
  524    H    ALA  69           H        ALA  69   0.555  -7.634  -5.094
  525    HA   ALA  69           HA       ALA  69   2.329  -9.919  -5.520
  526   1HB   ALA  69          1HB       ALA  69   2.212  -7.051  -6.218
  527   2HB   ALA  69          3HB       ALA  69   3.819  -7.534  -5.743
  528   3HB   ALA  69          2HB       ALA  69   3.028  -8.416  -7.047
  529    H    LEU  70           H        LEU  70   2.413  -7.131  -3.348
  530    HA   LEU  70           HA       LEU  70   4.199  -8.708  -1.534
  531   1HB   LEU  70          2HB       LEU  70   5.073  -6.448  -0.756
  532   2HB   LEU  70          1HB       LEU  70   5.633  -6.877  -2.369
  533    HG   LEU  70           HG       LEU  70   3.057  -5.417  -2.217
  534   1HD1  LEU  70          3HD1      LEU  70   4.788  -4.196  -0.689
  535   2HD1  LEU  70          2HD1      LEU  70   5.673  -3.901  -2.160
  536   3HD1  LEU  70          1HD1      LEU  70   4.047  -3.270  -1.999
  537   1HD2  LEU  70          2HD2      LEU  70   5.494  -5.234  -4.057
  538   2HD2  LEU  70          1HD2      LEU  70   4.064  -6.150  -4.409
  539   3HD2  LEU  70          3HD2      LEU  70   3.921  -4.416  -4.288
  540    H    GLN  71           H        GLN  71   1.656  -9.140  -1.017
  541    HA   GLN  71           HA       GLN  71   0.332  -7.058   0.478
  542   1HB   GLN  71          2HB       GLN  71  -0.748  -9.119  -0.801
  543   2HB   GLN  71          1HB       GLN  71  -0.202 -10.047   0.572
  544   1HG   GLN  71          2HG       GLN  71  -1.575  -7.748   1.618
  545   2HG   GLN  71          1HG       GLN  71  -2.516  -8.381   0.274
  546   1HE2  GLN  71          1HE2      GLN  71  -2.341 -10.412   3.803
  547   2HE2  GLN  71          2HE2      GLN  71  -1.564  -8.938   3.571
  548    H    GLY  72           H        GLY  72   2.895  -8.936   1.258
  549   1HA   GLY  72          2HA       GLY  72   2.713  -8.266   4.066
  550   2HA   GLY  72          1HA       GLY  72   2.451  -9.995   3.809
  551    H    PHE  73           H        PHE  73   4.447  -7.575   2.258
  552    HA   PHE  73           HA       PHE  73   6.700  -9.047   1.557
  553   1HB   PHE  73          2HB       PHE  73   6.209  -6.754   0.860
  554   2HB   PHE  73          1HB       PHE  73   6.677  -6.189   2.483
  555    HD1  PHE  73           HD2      PHE  73   8.651  -9.073   1.775
  556    HD2  PHE  73           HD1      PHE  73   8.313  -4.933   0.621
  557    HE1  PHE  73           HE2      PHE  73  10.976  -9.095   1.021
  558    HE2  PHE  73           HE1      PHE  73  10.648  -4.993  -0.123
  559    HZ   PHE  73           HZ       PHE  73  12.021  -7.052   0.064
  560    H    LYS  74           H        LYS  74   7.216 -10.526   3.076
  561    HA   LYS  74           HA       LYS  74   7.580 -10.215   5.859
  562   1HB   LYS  74          2HB       LYS  74   9.247 -12.178   5.508
  563   2HB   LYS  74          1HB       LYS  74   7.603 -12.448   4.989
  564   1HG   LYS  74          2HG       LYS  74   8.129 -12.515   2.808
  565   2HG   LYS  74          1HG       LYS  74   9.333 -11.201   2.909
  566   1HD   LYS  74          2HD       LYS  74  10.720 -12.978   2.519
  567   2HD   LYS  74          1HD       LYS  74  10.633 -13.138   4.284
  568   1HE   LYS  74          2HE       LYS  74   8.526 -14.517   2.761
  569   2HE   LYS  74          1HE       LYS  74  10.132 -15.237   2.696
  570   1HZ   LYS  74          2HZ       LYS  74  10.180 -15.130   5.129
  571   2HZ   LYS  74          1HZ       LYS  74   8.561 -14.569   5.165
  572   3HZ   LYS  74          3HZ       LYS  74   8.940 -16.107   4.558
  573    H    ILE  75           H        ILE  75   8.501  -8.154   6.053
  574    HA   ILE  75           HA       ILE  75  11.016  -7.171   5.186
  575    HB   ILE  75           HB       ILE  75   9.627  -6.929   7.927
  576   1HG1  ILE  75          2HG1      ILE  75   8.165  -5.960   6.380
  577   2HG1  ILE  75          1HG1      ILE  75   9.205  -4.613   6.944
  578   1HG2  ILE  75          2HG2      ILE  75  11.903  -5.300   6.797
  579   2HG2  ILE  75          1HG2      ILE  75  10.933  -4.925   8.252
  580   3HG2  ILE  75          3HG2      ILE  75  11.931  -6.389   8.177
  581   1HD1  ILE  75          3HD1      ILE  75  10.625  -4.840   4.970
  582   2HD1  ILE  75          2HD1      ILE  75   9.605  -6.133   4.371
  583   3HD1  ILE  75          1HD1      ILE  75   8.918  -4.517   4.545
  584    H    THR  76           H        THR  76  10.278  -9.479   7.643
  585    HA   THR  76           HA       THR  76  13.160 -10.247   7.648
  586    HB   THR  76           HB       THR  76  11.502  -9.776  10.176
  587    HG1  THR  76          1HG       THR  76  12.394  -7.930  10.252
  588   1HG2  THR  76          2HG2      THR  76  14.344 -10.750   9.808
  589   2HG2  THR  76          1HG2      THR  76  13.699 -10.252  11.364
  590   3HG2  THR  76          3HG2      THR  76  13.023 -11.647  10.567
  591    H    GLN  77           H        GLN  77  10.013 -11.117   8.788
  592    HA   GLN  77           HA       GLN  77   9.545 -13.605   7.799
  593   1HB   GLN  77          2HB       GLN  77  11.718 -14.499   8.843
  594   2HB   GLN  77          1HB       GLN  77  11.209 -13.847  10.380
  595   1HG   GLN  77          2HG       GLN  77   9.139 -15.435   9.142
  596   2HG   GLN  77          1HG       GLN  77  10.695 -16.321   9.198
  597   1HE2  GLN  77          1HE2      GLN  77  10.616 -16.809  12.676
  598   2HE2  GLN  77          2HE2      GLN  77  11.364 -17.146  11.172
  599    H    ASN  78           H        ASN  78   9.835 -12.004  10.854
  600    HA   ASN  78           HA       ASN  78   7.102 -12.746  11.705
  601   1HB   ASN  78          2HB       ASN  78   9.264 -12.687  13.307
  602   2HB   ASN  78          1HB       ASN  78   8.974 -10.945  13.220
  603   1HD2  ASN  78          1HD2      ASN  78   6.137 -13.163  15.122
  604   2HD2  ASN  78          2HD2      ASN  78   7.126 -13.959  13.975
  605    H    ASN  79           H        ASN  79   9.232 -10.193  10.755
  606    HA   ASN  79           HA       ASN  79   7.277  -7.980  10.984
  607   1HB   ASN  79          2HB       ASN  79  10.080  -8.161   9.883
  608   2HB   ASN  79          1HB       ASN  79   9.169  -6.654  10.088
  609   1HD2  ASN  79          1HD2      ASN  79  10.289  -6.287  13.424
  610   2HD2  ASN  79          2HD2      ASN  79   9.862  -5.513  11.994
  611    H    ALA  80           H        ALA  80   5.826  -7.982   9.408
  612    HA   ALA  80           HA       ALA  80   6.646  -8.354   6.577
  613   1HB   ALA  80          3HB       ALA  80   4.927 -10.116   7.871
  614   2HB   ALA  80          2HB       ALA  80   3.794  -8.912   7.253
  615   3HB   ALA  80          1HB       ALA  80   4.849  -9.728   6.123
  616    H    MET  81           H        MET  81   5.958  -6.717   5.237
  617    HA   MET  81           HA       MET  81   5.379  -4.219   6.440
  618   1HB   MET  81          2HB       MET  81   5.837  -3.559   4.440
  619   2HB   MET  81          1HB       MET  81   5.592  -5.178   3.764
  620   1HG   MET  81          2HG       MET  81   3.295  -4.731   3.384
  621   2HG   MET  81          1HG       MET  81   3.323  -3.229   4.331
  622   1HE   MET  81          2HE       MET  81   5.775  -4.692   1.738
  623   2HE   MET  81          1HE       MET  81   6.291  -3.192   0.947
  624   3HE   MET  81          3HE       MET  81   6.617  -3.422   2.666
  625    H    LYS  82           H        LYS  82   3.492  -2.942   6.771
  626    HA   LYS  82           HA       LYS  82   0.891  -4.337   6.463
  627   1HB   LYS  82          2HB       LYS  82   1.521  -2.491   8.762
  628   2HB   LYS  82          1HB       LYS  82   0.231  -3.711   8.575
  629   1HG   LYS  82          2HG       LYS  82   3.172  -4.484   8.715
  630   2HG   LYS  82          1HG       LYS  82   2.275  -4.181  10.184
  631   1HD   LYS  82          2HD       LYS  82   1.201  -6.049   8.046
  632   2HD   LYS  82          1HD       LYS  82   2.377  -6.580   9.275
  633   1HE   LYS  82          2HE       LYS  82  -0.053  -5.122  10.220
  634   2HE   LYS  82          1HE       LYS  82  -0.208  -6.782   9.723
  635   1HZ   LYS  82          2HZ       LYS  82   1.984  -5.963  11.566
  636   2HZ   LYS  82          1HZ       LYS  82   0.427  -6.277  12.159
  637   3HZ   LYS  82          3HZ       LYS  82   1.263  -7.491  11.370
  638    H    ILE  83           H        ILE  83  -0.164  -3.354   5.088
  639    HA   ILE  83           HA       ILE  83  -0.083  -0.455   4.408
  640    HB   ILE  83           HB       ILE  83   0.594  -2.806   2.857
  641   1HG1  ILE  83          2HG1      ILE  83   0.471   0.164   2.171
  642   2HG1  ILE  83          1HG1      ILE  83   1.774  -0.561   3.115
  643   1HG2  ILE  83          1HG2      ILE  83  -1.764  -1.100   2.074
  644   2HG2  ILE  83          3HG2      ILE  83  -0.688  -1.816   0.849
  645   3HG2  ILE  83          2HG2      ILE  83  -1.587  -2.860   1.931
  646   1HD1  ILE  83          2HD1      ILE  83   1.726  -2.298   1.039
  647   2HD1  ILE  83          1HD1      ILE  83   1.143  -0.861   0.213
  648   3HD1  ILE  83          3HD1      ILE  83   2.714  -0.850   1.045
  649    H    SER  84           H        SER  84  -2.005   0.368   4.766
  650    HA   SER  84           HA       SER  84  -4.409  -1.270   4.973
  651   1HB   SER  84          2HB       SER  84  -4.892  -0.422   6.956
  652   2HB   SER  84          1HB       SER  84  -3.192   0.031   7.043
  653    HG   SER  84           HG       SER  84  -3.705   2.076   6.692
  654    H    PHE  85           H        PHE  85  -5.452  -0.803   3.071
  655    HA   PHE  85           HA       PHE  85  -5.263   1.151   1.306
  656   1HB   PHE  85          2HB       PHE  85  -7.968   0.158   2.180
  657   2HB   PHE  85          1HB       PHE  85  -7.486   0.791   0.618
  658    HD1  PHE  85           HD2      PHE  85  -6.006  -0.681  -0.889
  659    HD2  PHE  85           HD1      PHE  85  -7.465  -1.937   2.976
  660    HE1  PHE  85           HE2      PHE  85  -5.439  -2.978  -1.459
  661    HE2  PHE  85           HE1      PHE  85  -6.874  -4.340   2.402
  662    HZ   PHE  85           HZ       PHE  85  -5.877  -4.823   0.204
  663    H    ALA  86           H        ALA  86  -6.625   3.037   0.830
  664    HA   ALA  86           HA       ALA  86  -6.637   5.023   2.765
  665   1HB   ALA  86          1HB       ALA  86  -7.269   4.731  -0.010
  666   2HB   ALA  86          3HB       ALA  86  -8.637   5.539   0.703
  667   3HB   ALA  86          2HB       ALA  86  -7.012   6.241   0.844
  668    H    LYS  87           H        LYS  87  -9.390   3.221   1.481
  669    HA   LYS  87           HA       LYS  87 -11.631   4.337   2.507
  670   1HB   LYS  87          2HB       LYS  87 -11.683   2.240   1.245
  671   2HB   LYS  87          1HB       LYS  87 -10.801   1.406   2.514
  672   1HG   LYS  87          2HG       LYS  87 -12.836   2.082   4.058
  673   2HG   LYS  87          1HG       LYS  87 -13.669   2.199   2.516
  674   1HD   LYS  87          2HD       LYS  87 -13.829  -0.082   3.379
  675   2HD   LYS  87          1HD       LYS  87 -12.793  -0.099   1.957
  676   1HE   LYS  87          2HE       LYS  87 -11.064  -0.824   3.225
  677   2HE   LYS  87          1HE       LYS  87 -11.272   0.425   4.415
  678   1HZ   LYS  87          2HZ       LYS  87 -13.221  -0.969   5.224
  679   2HZ   LYS  87          1HZ       LYS  87 -12.506  -2.242   4.310
  680   3HZ   LYS  87          3HZ       LYS  87 -11.671  -1.548   5.591
  681    H    LYS  88           H        LYS  88  -9.722   1.898   4.319
  682    HA   LYS  88           HA       LYS  88  -9.590   3.307   6.729
  683   1HB   LYS  88          2HB       LYS  88 -12.171   2.431   6.302
  684   2HB   LYS  88          1HB       LYS  88 -11.439   1.062   7.171
  685   1HG   LYS  88          2HG       LYS  88 -12.308   2.556   8.855
  686   2HG   LYS  88          1HG       LYS  88 -10.586   2.959   8.823
  687   1HD   LYS  88          2HD       LYS  88 -10.942   4.896   7.500
  688   2HD   LYS  88          1HD       LYS  88 -12.559   4.292   7.022
  689   1HE   LYS  88          2HE       LYS  88 -12.518   6.198   8.641
  690   2HE   LYS  88          1HE       LYS  88 -13.517   4.782   9.025
  691   1HZ   LYS  88          1HZ       LYS  88 -10.788   4.681  10.031
  692   2HZ   LYS  88          3HZ       LYS  88 -11.756   5.932  10.703
  693   3HZ   LYS  88          2HZ       LYS  88 -12.239   4.287  10.801
   
  No H/Q in entry =         693
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1 -29.253  -4.794   7.255
    2   2H    MET   1          3H        MET   1 -29.248  -3.637   6.033
    3   3H    MET   1          2H        MET   1 -30.659  -4.539   6.295
    4    HA   MET   1           HA       MET   1 -29.763  -5.685   4.501
    5   1HB   MET   1          2HB       MET   1 -27.496  -4.287   4.905
    6   2HB   MET   1          1HB       MET   1 -26.976  -5.827   5.616
    7   1HG   MET   1          2HG       MET   1 -26.427  -6.237   3.415
    8   2HG   MET   1          1HG       MET   1 -28.091  -6.820   3.432
    9   1HE   MET   1          2HE       MET   1 -25.837  -5.652   1.527
   10   2HE   MET   1          1HE       MET   1 -26.463  -4.398   0.442
   11   3HE   MET   1          3HE       MET   1 -25.718  -3.977   1.989
   12    H    ALA   2           H        ALA   2 -27.849  -6.263   7.461
   13    HA   ALA   2           HA       ALA   2 -29.380  -8.734   7.991
   14   1HB   ALA   2          1HB       ALA   2 -26.657  -8.838   6.765
   15   2HB   ALA   2          3HB       ALA   2 -27.067  -9.978   8.023
   16   3HB   ALA   2          2HB       ALA   2 -28.017  -9.897   6.527
   17    HA   PRO   3           HA       PRO   3 -30.453  -7.295   8.942
   18   1HB   PRO   3          2HB       PRO   3 -31.524  -6.623  11.371
   19   2HB   PRO   3          1HB       PRO   3 -31.273  -8.282  10.864
   20   1HG   PRO   3          2HG       PRO   3 -30.074  -7.007  13.103
   21   2HG   PRO   3          1HG       PRO   3 -29.667  -8.611  12.430
   22   1HD   PRO   3          2HD       PRO   3 -28.433  -5.931  11.672
   23   2HD   PRO   3          1HD       PRO   3 -27.586  -7.488  11.993
   24    H    ALA   4           H        ALA   4 -28.046  -5.211   9.330
   25    HA   ALA   4           HA       ALA   4 -29.791  -2.839   9.040
   26   1HB   ALA   4          2HB       ALA   4 -27.928  -3.347  11.322
   27   2HB   ALA   4          1HB       ALA   4 -28.230  -1.673  10.807
   28   3HB   ALA   4          3HB       ALA   4 -29.531  -2.674  11.373
   29    H    GLN   5           H        GLN   5 -28.542  -0.943   8.319
   30    HA   GLN   5           HA       GLN   5 -26.926  -1.403   6.088
   31   1HB   GLN   5          2HB       GLN   5 -27.783   0.799   6.384
   32   2HB   GLN   5          1HB       GLN   5 -26.975   1.010   7.965
   33   1HG   GLN   5          2HG       GLN   5 -24.853   1.241   6.905
   34   2HG   GLN   5          1HG       GLN   5 -25.482   0.558   5.418
   35   1HE2  GLN   5          2HE2      GLN   5 -25.322   4.339   5.124
   36   2HE2  GLN   5          1HE2      GLN   5 -24.156   3.138   5.536
   37    HA   PRO   6           HA       PRO   6 -23.165  -2.450   8.378
   38   1HB   PRO   6          2HB       PRO   6 -22.360  -4.083   6.085
   39   2HB   PRO   6          1HB       PRO   6 -22.862  -4.635   7.685
   40   1HG   PRO   6          2HG       PRO   6 -24.328  -5.048   5.445
   41   2HG   PRO   6          1HG       PRO   6 -25.075  -4.779   7.048
   42   1HD   PRO   6          2HD       PRO   6 -24.656  -2.691   4.892
   43   2HD   PRO   6          1HD       PRO   6 -26.168  -3.132   5.766
   44    H    LEU   7           H        LEU   7 -20.763  -2.405   7.521
   45    HA   LEU   7           HA       LEU   7 -20.526   0.003   5.747
   46   1HB   LEU   7          2HB       LEU   7 -19.449  -0.686   8.251
   47   2HB   LEU   7          1HB       LEU   7 -18.097  -0.777   7.136
   48    HG   LEU   7           HG       LEU   7 -19.335   1.460   6.272
   49   1HD1  LEU   7          3HD1      LEU   7 -20.416   0.976   8.916
   50   2HD1  LEU   7          2HD1      LEU   7 -19.497   2.478   8.895
   51   3HD1  LEU   7          1HD1      LEU   7 -20.831   2.253   7.771
   52   1HD2  LEU   7          3HD2      LEU   7 -17.251   1.095   8.420
   53   2HD2  LEU   7          2HD2      LEU   7 -17.014   1.510   6.739
   54   3HD2  LEU   7          1HD2      LEU   7 -17.722   2.722   7.838
   55    H    SER   8           H        SER   8 -19.077  -3.205   6.480
   56    HA   SER   8           HA       SER   8 -18.162  -4.770   5.175
   57   1HB   SER   8          2HB       SER   8 -18.672  -3.207   2.690
   58   2HB   SER   8          1HB       SER   8 -18.710  -4.964   2.892
   59    HG   SER   8           HG       SER   8 -20.636  -4.739   3.891
   60    H    GLU   9           H        GLU   9 -16.591  -4.081   2.581
   61    HA   GLU   9           HA       GLU   9 -14.563  -2.252   3.671
   62   1HB   GLU   9          2HB       GLU   9 -14.241  -5.166   3.222
   63   2HB   GLU   9          1HB       GLU   9 -12.915  -4.150   2.583
   64   1HG   GLU   9          2HG       GLU   9 -12.780  -3.127   4.878
   65   2HG   GLU   9          1HG       GLU   9 -13.948  -4.294   5.430
   66    H    ASN  10           H        ASN  10 -12.800  -2.080   1.793
   67    HA   ASN  10           HA       ASN  10 -14.315  -1.827  -0.742
   68   1HB   ASN  10          2HB       ASN  10 -11.717  -0.407  -0.545
   69   2HB   ASN  10          1HB       ASN  10 -13.274   0.122  -1.179
   70   1HD2  ASN  10          1HD2      ASN  10 -12.014   1.138   2.522
   71   2HD2  ASN  10          2HD2      ASN  10 -11.010   0.382   1.367
   72    HA   PRO  11           HA       PRO  11 -11.369  -4.661  -2.674
   73   1HB   PRO  11          2HB       PRO  11 -11.935  -3.771  -5.250
   74   2HB   PRO  11          1HB       PRO  11 -12.950  -4.916  -4.362
   75   1HG   PRO  11          2HG       PRO  11 -13.490  -2.099  -5.110
   76   2HG   PRO  11          1HG       PRO  11 -14.617  -3.381  -4.595
   77   1HD   PRO  11          2HD       PRO  11 -13.652  -1.245  -2.924
   78   2HD   PRO  11          1HD       PRO  11 -14.567  -2.661  -2.454
   79    HA   PRO  12           HA       PRO  12  -7.579  -2.749  -4.017
   80   1HB   PRO  12          2HB       PRO  12  -8.333  -3.322  -6.929
   81   2HB   PRO  12          1HB       PRO  12  -6.812  -3.725  -6.093
   82   1HG   PRO  12          2HG       PRO  12  -8.686  -5.564  -6.514
   83   2HG   PRO  12          1HG       PRO  12  -7.685  -5.525  -5.018
   84   1HD   PRO  12          2HD       PRO  12 -10.581  -5.097  -5.224
   85   2HD   PRO  12          1HD       PRO  12  -9.606  -5.489  -3.785
   86    H    ASN  13           H        ASN  13  -7.871  -0.606  -3.715
   87    HA   ASN  13           HA       ASN  13  -9.800   0.855  -5.309
   88   1HB   ASN  13          2HB       ASN  13  -8.268   1.216  -2.833
   89   2HB   ASN  13          1HB       ASN  13  -8.586   2.735  -3.615
   90   1HD2  ASN  13          1HD2      ASN  13 -11.416   1.387  -1.315
   91   2HD2  ASN  13          2HD2      ASN  13  -9.753   1.453  -1.113
   92    H    HIS  14           H        HIS  14  -6.449   1.571  -4.555
   93    HA   HIS  14           HA       HIS  14  -5.006   1.724  -6.753
   94   1HB   HIS  14          2HB       HIS  14  -5.197   4.032  -7.645
   95   2HB   HIS  14          1HB       HIS  14  -6.468   2.993  -8.193
   96    HD1  HIS  14           HD1      HIS  14  -6.282   6.162  -7.871
   97    HD2  HIS  14           HD2      HIS  14  -8.470   3.795  -5.243
   98    HE1  HIS  14           HE1      HIS  14  -7.955   7.674  -6.751
   99    HE2  HIS  14           HE2      HIS  14  -9.278   6.253  -5.168
  100    H    ILE  15           H        ILE  15  -5.882   3.204  -3.751
  101    HA   ILE  15           HA       ILE  15  -3.228   4.506  -3.527
  102    HB   ILE  15           HB       ILE  15  -5.841   5.780  -2.753
  103   1HG1  ILE  15          2HG1      ILE  15  -3.201   6.735  -3.821
  104   2HG1  ILE  15          1HG1      ILE  15  -4.576   6.411  -4.868
  105   1HG2  ILE  15          1HG2      ILE  15  -4.237   5.591  -0.698
  106   2HG2  ILE  15          3HG2      ILE  15  -3.172   6.563  -1.669
  107   3HG2  ILE  15          2HG2      ILE  15  -4.734   7.219  -1.173
  108   1HD1  ILE  15          1HD1      ILE  15  -5.383   8.146  -2.753
  109   2HD1  ILE  15          3HD1      ILE  15  -3.999   8.857  -3.596
  110   3HD1  ILE  15          2HD1      ILE  15  -5.418   8.394  -4.528
  111    H    LEU  16           H        LEU  16  -2.191   3.225  -2.065
  112    HA   LEU  16           HA       LEU  16  -3.781   1.921   0.112
  113   1HB   LEU  16          2HB       LEU  16  -1.285   0.695  -1.009
  114   2HB   LEU  16          1HB       LEU  16  -2.725  -0.025  -0.226
  115    HG   LEU  16           HG       LEU  16  -3.610   1.148  -2.662
  116   1HD1  LEU  16          2HD1      LEU  16  -1.239  -0.721  -2.897
  117   2HD1  LEU  16          1HD1      LEU  16  -2.425  -0.516  -4.164
  118   3HD1  LEU  16          3HD1      LEU  16  -1.407   0.830  -3.670
  119   1HD2  LEU  16          2HD2      LEU  16  -4.597  -0.622  -1.231
  120   2HD2  LEU  16          1HD2      LEU  16  -4.572  -1.005  -2.929
  121   3HD2  LEU  16          3HD2      LEU  16  -3.325  -1.686  -1.843
  122    H    PHE  17           H        PHE  17  -3.373   2.789   1.888
  123    HA   PHE  17           HA       PHE  17  -0.749   3.869   2.623
  124   1HB   PHE  17          2HB       PHE  17  -1.922   5.788   2.812
  125   2HB   PHE  17          1HB       PHE  17  -3.467   4.904   3.051
  126    HD1  PHE  17           HD1      PHE  17  -0.168   5.676   4.760
  127    HD2  PHE  17           HD2      PHE  17  -4.306   4.471   5.228
  128    HE1  PHE  17           HE1      PHE  17   0.063   5.790   7.202
  129    HE2  PHE  17           HE2      PHE  17  -4.059   4.596   7.677
  130    HZ   PHE  17           HZ       PHE  17  -1.889   5.251   8.647
  131    H    LEU  18           H        LEU  18   0.107   2.979   4.267
  132    HA   LEU  18           HA       LEU  18  -1.109   2.201   6.564
  133   1HB   LEU  18          2HB       LEU  18  -2.334   0.489   5.367
  134   2HB   LEU  18          1HB       LEU  18  -0.923  -0.471   5.264
  135    HG   LEU  18           HG       LEU  18  -1.177   0.644   7.936
  136   1HD1  LEU  18          1HD1      LEU  18  -3.459   1.065   6.954
  137   2HD1  LEU  18          3HD1      LEU  18  -3.774  -0.652   7.318
  138   3HD1  LEU  18          2HD1      LEU  18  -3.331   0.453   8.592
  139   1HD2  LEU  18          3HD2      LEU  18  -1.625  -2.110   6.706
  140   2HD2  LEU  18          2HD2      LEU  18  -0.415  -1.580   7.918
  141   3HD2  LEU  18          1HD2      LEU  18  -2.081  -1.775   8.405
  142    H    THR  19           H        THR  19   0.539   0.143   7.285
  143    HA   THR  19           HA       THR  19   3.123   1.567   7.278
  144    HB   THR  19           HB       THR  19   3.097   1.789   9.678
  145    HG1  THR  19          1HG       THR  19   0.792   0.166   9.654
  146   1HG2  THR  19          2HG2      THR  19   1.540   3.432   8.551
  147   2HG2  THR  19          1HG2      THR  19   0.201   2.350   8.848
  148   3HG2  THR  19          3HG2      THR  19   1.059   3.089  10.217
  149    H    ASN  20           H        ASN  20   4.419   0.220   8.836
  150    HA   ASN  20           HA       ASN  20   4.872  -1.742   9.909
  151   1HB   ASN  20          2HB       ASN  20   2.811  -2.984   9.058
  152   2HB   ASN  20          1HB       ASN  20   3.804  -3.443   7.636
  153   1HD2  ASN  20          2HD2      ASN  20   4.169  -5.404  11.085
  154   2HD2  ASN  20          1HD2      ASN  20   2.894  -4.342  10.759
  155    H    LEU  21           H        LEU  21   6.275   0.148   8.437
  156    HA   LEU  21           HA       LEU  21   8.224  -1.484   6.879
  157   1HB   LEU  21          2HB       LEU  21   7.769   1.461   6.744
  158   2HB   LEU  21          1HB       LEU  21   8.544   0.420   5.519
  159    HG   LEU  21           HG       LEU  21   6.148  -0.755   5.697
  160   1HD1  LEU  21          1HD1      LEU  21   5.788   1.543   7.248
  161   2HD1  LEU  21          3HD1      LEU  21   4.998   1.950   5.728
  162   3HD1  LEU  21          2HD1      LEU  21   4.510   0.476   6.585
  163   1HD2  LEU  21          1HD2      LEU  21   7.019   1.607   4.060
  164   2HD2  LEU  21          3HD2      LEU  21   6.522  -0.022   3.499
  165   3HD2  LEU  21          2HD2      LEU  21   5.348   1.154   4.001
  166    HA   PRO  22           HA       PRO  22  10.580  -0.412  10.581
  167   1HB   PRO  22          2HB       PRO  22  13.097  -1.012   9.656
  168   2HB   PRO  22          1HB       PRO  22  12.018  -2.233  10.322
  169   1HG   PRO  22          2HG       PRO  22  12.605  -1.519   7.445
  170   2HG   PRO  22          1HG       PRO  22  12.283  -3.128   8.182
  171   1HD   PRO  22          2HD       PRO  22  10.306  -1.745   6.745
  172   2HD   PRO  22          1HD       PRO  22   9.937  -2.810   8.139
  173    H    GLU  23           H        GLU  23  13.028   0.579  10.772
  174    HA   GLU  23           HA       GLU  23  12.727   3.244   9.625
  175   1HB   GLU  23          2HB       GLU  23  14.731   2.164  11.647
  176   2HB   GLU  23          1HB       GLU  23  14.547   3.877  11.256
  177   1HG   GLU  23          2HG       GLU  23  13.167   3.769  13.160
  178   2HG   GLU  23          1HG       GLU  23  12.016   3.256  11.912
  179    H    GLU  24           H        GLU  24  14.338   0.441   8.884
  180    HA   GLU  24           HA       GLU  24  16.758   1.674   7.704
  181   1HB   GLU  24          2HB       GLU  24  15.841  -1.180   7.686
  182   2HB   GLU  24          1HB       GLU  24  17.482  -0.644   7.410
  183   1HG   GLU  24          2HG       GLU  24  16.935   0.580   9.798
  184   2HG   GLU  24          1HG       GLU  24  15.968  -0.850  10.015
  185    H    THR  25           H        THR  25  13.680   1.599   6.834
  186    HA   THR  25           HA       THR  25  14.009   0.580   4.098
  187    HB   THR  25           HB       THR  25  11.505   1.538   4.006
  188    HG1  THR  25          1HG       THR  25  11.264   2.608   5.750
  189   1HG2  THR  25          3HG2      THR  25  12.440  -0.994   4.454
  190   2HG2  THR  25          2HG2      THR  25  11.698  -0.609   6.028
  191   3HG2  THR  25          1HG2      THR  25  10.704  -0.581   4.612
  192    H    ASN  26           H        ASN  26  12.999   2.324   2.299
  193    HA   ASN  26           HA       ASN  26  13.348   5.077   3.230
  194   1HB   ASN  26          2HB       ASN  26  15.152   5.733   1.911
  195   2HB   ASN  26          1HB       ASN  26  15.657   4.272   2.804
  196   1HD2  ASN  26          1HD2      ASN  26  16.410   2.615  -0.237
  197   2HD2  ASN  26          2HD2      ASN  26  16.547   2.611   1.455
  198    H    GLU  27           H        GLU  27  13.094   6.637   1.450
  199    HA   GLU  27           HA       GLU  27  10.555   6.192   0.123
  200   1HB   GLU  27          2HB       GLU  27  11.684   8.424  -1.124
  201   2HB   GLU  27          1HB       GLU  27  10.421   8.339   0.115
  202   1HG   GLU  27          2HG       GLU  27  12.034   9.801   0.962
  203   2HG   GLU  27          1HG       GLU  27  12.255   8.295   1.867
  204    H    LEU  28           H        LEU  28  13.943   6.100  -1.088
  205    HA   LEU  28           HA       LEU  28  13.270   6.022  -3.912
  206   1HB   LEU  28          2HB       LEU  28  15.316   6.935  -3.395
  207   2HB   LEU  28          1HB       LEU  28  15.764   5.630  -2.267
  208    HG   LEU  28           HG       LEU  28  15.719   4.074  -4.275
  209   1HD1  LEU  28          1HD1      LEU  28  14.545   5.800  -5.740
  210   2HD1  LEU  28          3HD1      LEU  28  16.099   6.654  -5.760
  211   3HD1  LEU  28          2HD1      LEU  28  15.995   5.010  -6.424
  212   1HD2  LEU  28          2HD2      LEU  28  17.684   5.207  -2.972
  213   2HD2  LEU  28          1HD2      LEU  28  17.995   4.386  -4.481
  214   3HD2  LEU  28          3HD2      LEU  28  17.905   6.123  -4.478
  215    H    MET  29           H        MET  29  13.458   3.908  -1.203
  216    HA   MET  29           HA       MET  29  13.875   1.371  -2.555
  217   1HB   MET  29          2HB       MET  29  14.228   2.088  -0.072
  218   2HB   MET  29          1HB       MET  29  12.517   1.892   0.135
  219   1HG   MET  29          2HG       MET  29  13.788  -0.401  -1.259
  220   2HG   MET  29          1HG       MET  29  14.433  -0.107   0.379
  221   1HE   MET  29          3HE       MET  29  12.991  -2.627  -0.804
  222   2HE   MET  29          2HE       MET  29  13.222  -2.770   0.952
  223   3HE   MET  29          1HE       MET  29  11.659  -3.072   0.241
  224    H    LEU  30           H        LEU  30  11.230   2.944  -0.865
  225    HA   LEU  30           HA       LEU  30   9.112   1.262  -1.762
  226   1HB   LEU  30          2HB       LEU  30   9.492   3.603  -0.068
  227   2HB   LEU  30          1HB       LEU  30   8.034   3.770  -1.068
  228    HG   LEU  30           HG       LEU  30   7.565   1.314  -0.341
  229   1HD1  LEU  30          1HD1      LEU  30   9.807   2.114   1.429
  230   2HD1  LEU  30          3HD1      LEU  30   8.397   1.396   2.248
  231   3HD1  LEU  30          2HD1      LEU  30   9.208   0.523   0.960
  232   1HD2  LEU  30          3HD2      LEU  30   6.447   3.614   0.368
  233   2HD2  LEU  30          2HD2      LEU  30   6.154   2.176   1.348
  234   3HD2  LEU  30          1HD2      LEU  30   7.325   3.374   1.862
  235    H    SER  31           H        SER  31  10.620   4.156  -2.983
  236    HA   SER  31           HA       SER  31   8.711   4.766  -5.076
  237   1HB   SER  31          2HB       SER  31  11.560   5.518  -4.560
  238   2HB   SER  31          1HB       SER  31  10.824   5.852  -6.112
  239    HG   SER  31           HG       SER  31  10.699   7.420  -4.113
  240    H    MET  32           H        MET  32  11.753   2.822  -4.971
  241    HA   MET  32           HA       MET  32  11.593   2.353  -7.817
  242   1HB   MET  32          2HB       MET  32  13.150   1.380  -5.480
  243   2HB   MET  32          1HB       MET  32  13.049   0.258  -6.851
  244   1HG   MET  32          2HG       MET  32  13.616   2.586  -8.101
  245   2HG   MET  32          1HG       MET  32  14.558   2.744  -6.597
  246   1HE   MET  32          2HE       MET  32  14.857  -0.210  -5.827
  247   2HE   MET  32          1HE       MET  32  16.395  -0.751  -6.468
  248   3HE   MET  32          3HE       MET  32  16.261   0.856  -5.742
  249    H    LEU  33           H        LEU  33  10.412   0.685  -4.925
  250    HA   LEU  33           HA       LEU  33   9.703  -1.842  -6.147
  251   1HB   LEU  33          2HB       LEU  33   9.214  -0.370  -3.585
  252   2HB   LEU  33          1HB       LEU  33   8.158  -1.710  -3.996
  253    HG   LEU  33           HG       LEU  33  11.185  -1.774  -3.620
  254   1HD1  LEU  33          2HD1      LEU  33   8.854  -2.729  -1.999
  255   2HD1  LEU  33          1HD1      LEU  33  10.281  -3.769  -2.050
  256   3HD1  LEU  33          3HD1      LEU  33  10.383  -2.100  -1.452
  257   1HD2  LEU  33          1HD2      LEU  33   9.375  -3.920  -4.747
  258   2HD2  LEU  33          3HD2      LEU  33  10.849  -3.193  -5.443
  259   3HD2  LEU  33          2HD2      LEU  33  10.949  -4.237  -4.027
  260    H    PHE  34           H        PHE  34   8.218   1.200  -5.289
  261    HA   PHE  34           HA       PHE  34   5.640   0.253  -6.261
  262   1HB   PHE  34          2HB       PHE  34   6.424   2.988  -5.179
  263   2HB   PHE  34          1HB       PHE  34   4.851   2.619  -5.945
  264    HD1  PHE  34           HD2      PHE  34   4.090   0.052  -5.166
  265    HD2  PHE  34           HD1      PHE  34   6.322   2.892  -2.763
  266    HE1  PHE  34           HE2      PHE  34   3.338  -1.074  -3.086
  267    HE2  PHE  34           HE1      PHE  34   5.558   1.745  -0.808
  268    HZ   PHE  34           HZ       PHE  34   4.043  -0.282  -0.933
  269    H    ASN  35           H        ASN  35   8.396   1.835  -7.452
  270    HA   ASN  35           HA       ASN  35   7.360   3.046  -9.804
  271   1HB   ASN  35          2HB       ASN  35   9.625   3.729  -9.323
  272   2HB   ASN  35          1HB       ASN  35  10.124   2.067  -9.019
  273   1HD2  ASN  35          1HD2      ASN  35   9.478   2.975 -12.977
  274   2HD2  ASN  35          2HD2      ASN  35   8.285   3.410 -11.861
  275    H    GLN  36           H        GLN  36   8.692  -0.171  -9.044
  276    HA   GLN  36           HA       GLN  36   9.039  -1.594 -11.260
  277   1HB   GLN  36          2HB       GLN  36   7.254  -2.141  -8.888
  278   2HB   GLN  36          1HB       GLN  36   7.274  -3.275 -10.199
  279   1HG   GLN  36          2HG       GLN  36   9.704  -3.607  -9.969
  280   2HG   GLN  36          1HG       GLN  36   9.723  -2.398  -8.645
  281   1HE2  GLN  36          2HE2      GLN  36   7.762  -6.019  -8.080
  282   2HE2  GLN  36          1HE2      GLN  36   7.829  -5.313  -9.600
  283    H    PHE  37           H        PHE  37   5.902  -0.441 -10.306
  284    HA   PHE  37           HA       PHE  37   4.550  -1.550 -12.613
  285   1HB   PHE  37          2HB       PHE  37   3.526  -0.203 -10.103
  286   2HB   PHE  37          1HB       PHE  37   2.460  -0.748 -11.341
  287    HD1  PHE  37           HD1      PHE  37   2.454  -3.164 -12.014
  288    HD2  PHE  37           HD2      PHE  37   4.814  -1.889  -8.695
  289    HE1  PHE  37           HE1      PHE  37   2.723  -5.535 -11.288
  290    HE2  PHE  37           HE2      PHE  37   5.070  -4.190  -7.983
  291    HZ   PHE  37           HZ       PHE  37   4.024  -6.097  -9.284
  292    HA   PRO  38           HA       PRO  38   4.465   2.141 -15.087
  293   1HB   PRO  38          2HB       PRO  38   1.954   1.639 -16.195
  294   2HB   PRO  38          1HB       PRO  38   3.535   1.164 -16.828
  295   1HG   PRO  38          2HG       PRO  38   1.485  -0.571 -15.476
  296   2HG   PRO  38          1HG       PRO  38   2.808  -1.015 -16.601
  297   1HD   PRO  38          2HD       PRO  38   2.822  -1.378 -13.858
  298   2HD   PRO  38          1HD       PRO  38   4.283  -1.326 -14.835
  299    H    GLY  39           H        GLY  39   2.029   1.129 -12.890
  300   1HA   GLY  39          2HA       GLY  39   0.233   3.367 -12.809
  301   2HA   GLY  39          1HA       GLY  39   0.412   2.061 -11.634
  302    H    PHE  40           H        PHE  40   3.362   3.011 -11.803
  303    HA   PHE  40           HA       PHE  40   3.868   3.996  -9.319
  304   1HB   PHE  40          2HB       PHE  40   5.689   3.536 -10.846
  305   2HB   PHE  40          1HB       PHE  40   5.138   4.714 -12.020
  306    HD1  PHE  40           HD2      PHE  40   5.624   4.797  -8.275
  307    HD2  PHE  40           HD1      PHE  40   6.756   6.491 -12.076
  308    HE1  PHE  40           HE2      PHE  40   7.026   6.421  -7.158
  309    HE2  PHE  40           HE1      PHE  40   8.189   8.166 -10.909
  310    HZ   PHE  40           HZ       PHE  40   8.321   8.133  -8.483
  311    H    LYS  41           H        LYS  41   2.224   5.422  -8.653
  312    HA   LYS  41           HA       LYS  41   2.138   8.063 -10.131
  313   1HB   LYS  41          2HB       LYS  41   0.062   6.497  -9.218
  314   2HB   LYS  41          1HB       LYS  41   0.115   7.891  -8.137
  315   1HG   LYS  41          2HG       LYS  41   0.192   8.230 -11.134
  316   2HG   LYS  41          1HG       LYS  41  -1.326   8.212 -10.204
  317   1HD   LYS  41          2HD       LYS  41  -0.854  10.188  -9.075
  318   2HD   LYS  41          1HD       LYS  41   0.877   9.941  -9.194
  319   1HE   LYS  41          2HE       LYS  41   0.161  11.775 -10.667
  320   2HE   LYS  41          1HE       LYS  41   0.851  10.451 -11.610
  321   1HZ   LYS  41          2HZ       LYS  41  -1.938  10.065 -11.215
  322   2HZ   LYS  41          1HZ       LYS  41  -1.607  11.597 -11.894
  323   3HZ   LYS  41          3HZ       LYS  41  -1.015  10.187 -12.650
  324    H    GLU  42           H        GLU  42   1.836   7.089  -6.687
  325    HA   GLU  42           HA       GLU  42   3.749   9.174  -6.009
  326   1HB   GLU  42          2HB       GLU  42   2.265  10.629  -5.304
  327   2HB   GLU  42          1HB       GLU  42   0.893   9.574  -5.529
  328   1HG   GLU  42          2HG       GLU  42   1.360   8.547  -3.337
  329   2HG   GLU  42          1HG       GLU  42   2.760   9.596  -3.105
  330    H    VAL  43           H        VAL  43   4.728   8.907  -4.135
  331    HA   VAL  43           HA       VAL  43   4.355   6.460  -2.576
  332    HB   VAL  43           HB       VAL  43   6.818   6.157  -2.538
  333   1HG1  VAL  43          3HG1      VAL  43   5.141   4.929  -4.206
  334   2HG1  VAL  43          2HG1      VAL  43   6.084   5.845  -5.399
  335   3HG1  VAL  43          1HG1      VAL  43   6.896   4.725  -4.339
  336   1HG2  VAL  43          3HG2      VAL  43   6.673   8.540  -4.288
  337   2HG2  VAL  43          2HG2      VAL  43   7.956   7.966  -3.266
  338   3HG2  VAL  43          1HG2      VAL  43   7.765   7.244  -4.857
  339    H    ARG  44           H        ARG  44   4.259   7.049  -0.558
  340    HA   ARG  44           HA       ARG  44   5.540   9.532   0.344
  341   1HB   ARG  44          2HB       ARG  44   2.800   8.768   0.282
  342   2HB   ARG  44          1HB       ARG  44   3.296   8.983   1.986
  343   1HG   ARG  44          2HG       ARG  44   3.643  10.875  -0.330
  344   2HG   ARG  44          1HG       ARG  44   2.528  11.080   1.031
  345   1HD   ARG  44          2HD       ARG  44   5.537  11.365   1.003
  346   2HD   ARG  44          1HD       ARG  44   4.284  12.473   1.616
  347    HE   ARG  44           HE       ARG  44   5.297  10.050   3.000
  348   1HH1  ARG  44          1HH2      ARG  44   3.049   9.500   4.197
  349   2HH1  ARG  44          2HH2      ARG  44   2.607  10.806   5.225
  350   1HH2  ARG  44          1HH1      ARG  44   4.689  13.099   3.744
  351   2HH2  ARG  44          2HH1      ARG  44   3.504  12.791   4.984
  352    H    LEU  45           H        LEU  45   7.299   8.476   1.033
  353    HA   LEU  45           HA       LEU  45   7.079   7.068   3.557
  354   1HB   LEU  45          2HB       LEU  45   7.546   5.335   1.800
  355   2HB   LEU  45          1HB       LEU  45   9.085   6.160   1.444
  356    HG   LEU  45           HG       LEU  45   9.541   6.083   3.922
  357   1HD1  LEU  45          2HD1      LEU  45   7.328   4.058   3.669
  358   2HD1  LEU  45          1HD1      LEU  45   8.515   3.982   4.985
  359   3HD1  LEU  45          3HD1      LEU  45   7.461   5.413   4.826
  360   1HD2  LEU  45          2HD2      LEU  45   9.906   4.209   1.809
  361   2HD2  LEU  45          1HD2      LEU  45  10.990   4.473   3.213
  362   3HD2  LEU  45          3HD2      LEU  45   9.685   3.251   3.249
  363    H    VAL  46           H        VAL  46   7.874   9.079   4.486
  364    HA   VAL  46           HA       VAL  46  10.326  10.353   3.480
  365    HB   VAL  46           HB       VAL  46   7.818  11.206   4.705
  366   1HG1  VAL  46          3HG1      VAL  46  10.468  12.185   5.706
  367   2HG1  VAL  46          2HG1      VAL  46   9.180  13.403   5.441
  368   3HG1  VAL  46          1HG1      VAL  46   8.953  12.065   6.565
  369   1HG2  VAL  46          3HG2      VAL  46   9.872  12.090   2.780
  370   2HG2  VAL  46          2HG2      VAL  46   8.106  11.892   2.570
  371   3HG2  VAL  46          1HG2      VAL  46   8.705  13.284   3.418
  372    HA   PRO  47           HA       PRO  47  13.014   7.864   6.215
  373   1HB   PRO  47          2HB       PRO  47  13.629  10.804   6.558
  374   2HB   PRO  47          1HB       PRO  47  14.757   9.432   6.390
  375   1HG   PRO  47          2HG       PRO  47  13.421  10.945   4.322
  376   2HG   PRO  47          1HG       PRO  47  14.531   9.551   4.053
  377   1HD   PRO  47          2HD       PRO  47  12.019   9.507   3.294
  378   2HD   PRO  47          1HD       PRO  47  12.695   8.018   4.063
  379    H    GLY  48           H        GLY  48  11.618  10.932   7.816
  380   1HA   GLY  48          2HA       GLY  48  11.967   9.653  10.395
  381   2HA   GLY  48          1HA       GLY  48  10.906  11.024  10.113
  382    H    ARG  49           H        ARG  49   9.288  10.210   8.207
  383    HA   ARG  49           HA       ARG  49   7.559   8.158   9.297
  384   1HB   ARG  49          2HB       ARG  49   7.464  10.053   6.912
  385   2HB   ARG  49          1HB       ARG  49   6.177   8.869   7.244
  386   1HG   ARG  49          2HG       ARG  49   6.992  11.045   9.199
  387   2HG   ARG  49          1HG       ARG  49   5.543  10.992   8.226
  388   1HD   ARG  49          2HD       ARG  49   4.594   9.700   9.754
  389   2HD   ARG  49          1HD       ARG  49   5.676   8.403   9.387
  390    HE   ARG  49           HE       ARG  49   7.225   9.299  11.172
  391   1HH1  ARG  49          2HH1      ARG  49   5.146  11.807  11.069
  392   2HH1  ARG  49          1HH1      ARG  49   4.627  11.665  12.723
  393   1HH2  ARG  49          2HH2      ARG  49   6.044   8.559  13.263
  394   2HH2  ARG  49          1HH2      ARG  49   5.129   9.852  13.946
  395    H    HIS  50           H        HIS  50   9.699   6.831   8.698
  396    HA   HIS  50           HA       HIS  50   9.553   5.681   5.957
  397   1HB   HIS  50          2HB       HIS  50  11.458   4.099   6.919
  398   2HB   HIS  50          1HB       HIS  50  11.949   5.736   6.591
  399    HD1  HIS  50           HD1      HIS  50  13.635   5.779   8.438
  400    HD2  HIS  50           HD2      HIS  50   9.842   4.818   9.897
  401    HE1  HIS  50           HE1      HIS  50  13.796   5.873  10.954
  402    HE2  HIS  50           HE2      HIS  50  11.487   5.286  11.888
  403    H    ASP  51           H        ASP  51   7.645   5.537   8.254
  404    HA   ASP  51           HA       ASP  51   7.365   2.586   8.632
  405   1HB   ASP  51          2HB       ASP  51   6.274   3.259  10.819
  406   2HB   ASP  51          1HB       ASP  51   8.027   3.274  10.768
  407    H    ILE  52           H        ILE  52   5.877   5.464   7.517
  408    HA   ILE  52           HA       ILE  52   3.332   4.023   7.405
  409    HB   ILE  52           HB       ILE  52   2.098   6.136   7.530
  410   1HG1  ILE  52          2HG1      ILE  52   3.809   7.946   8.812
  411   2HG1  ILE  52          1HG1      ILE  52   4.779   7.266   7.481
  412   1HG2  ILE  52          1HG2      ILE  52   2.808   4.596   9.501
  413   2HG2  ILE  52          3HG2      ILE  52   3.789   5.938  10.017
  414   3HG2  ILE  52          2HG2      ILE  52   2.041   6.132   9.874
  415   1HD1  ILE  52          2HD1      ILE  52   1.999   8.352   7.100
  416   2HD1  ILE  52          1HD1      ILE  52   3.474   9.327   6.811
  417   3HD1  ILE  52          3HD1      ILE  52   3.134   7.852   5.878
  418    H    ALA  53           H        ALA  53   3.041   3.510   5.357
  419    HA   ALA  53           HA       ALA  53   4.384   5.129   3.258
  420   1HB   ALA  53          2HB       ALA  53   3.798   2.178   3.500
  421   2HB   ALA  53          1HB       ALA  53   3.935   2.923   1.927
  422   3HB   ALA  53          3HB       ALA  53   5.313   3.024   3.069
  423    H    PHE  54           H        PHE  54   3.135   6.190   2.004
  424    HA   PHE  54           HA       PHE  54   0.407   5.395   1.390
  425   1HB   PHE  54          2HB       PHE  54   1.500   7.881   2.296
  426   2HB   PHE  54          1HB       PHE  54   0.955   8.087   0.608
  427    HD1  PHE  54           HD2      PHE  54  -1.370   7.080   0.130
  428    HD2  PHE  54           HD1      PHE  54  -0.116   8.368   3.980
  429    HE1  PHE  54           HE2      PHE  54  -3.726   7.347   0.735
  430    HE2  PHE  54           HE1      PHE  54  -2.467   8.652   4.656
  431    HZ   PHE  54           HZ       PHE  54  -4.330   8.136   3.015
  432    H    VAL  55           H        VAL  55   0.304   4.364  -0.361
  433    HA   VAL  55           HA       VAL  55   2.000   5.142  -2.679
  434    HB   VAL  55           HB       VAL  55   0.792   2.481  -1.826
  435   1HG1  VAL  55          1HG1      VAL  55   1.555   3.310  -4.407
  436   2HG1  VAL  55          3HG1      VAL  55   2.860   2.265  -3.824
  437   3HG1  VAL  55          2HG1      VAL  55   1.198   1.668  -3.822
  438   1HG2  VAL  55          2HG2      VAL  55   2.800   3.597  -0.561
  439   2HG2  VAL  55          1HG2      VAL  55   2.886   1.930  -1.040
  440   3HG2  VAL  55          3HG2      VAL  55   3.717   3.195  -1.999
  441    H    GLU  56           H        GLU  56   0.931   6.216  -3.999
  442    HA   GLU  56           HA       GLU  56  -1.841   5.797  -4.787
  443   1HB   GLU  56          2HB       GLU  56  -0.818   8.141  -4.267
  444   2HB   GLU  56          1HB       GLU  56   0.048   7.904  -5.805
  445   1HG   GLU  56          2HG       GLU  56  -2.051   7.642  -6.998
  446   2HG   GLU  56          1HG       GLU  56  -2.932   7.900  -5.503
  447    H    PHE  57           H        PHE  57  -2.046   4.354  -6.324
  448    HA   PHE  57           HA       PHE  57  -0.062   3.991  -8.467
  449   1HB   PHE  57          2HB       PHE  57  -1.827   2.203  -6.798
  450   2HB   PHE  57          1HB       PHE  57  -1.711   1.823  -8.492
  451    HD1  PHE  57           HD1      PHE  57   0.716   2.239  -9.465
  452    HD2  PHE  57           HD2      PHE  57  -0.155   1.087  -5.402
  453    HE1  PHE  57           HE1      PHE  57   2.962   1.301  -9.221
  454    HE2  PHE  57           HE2      PHE  57   2.195   0.108  -5.198
  455    HZ   PHE  57           HZ       PHE  57   3.728   0.233  -7.133
  456    H    ASP  58           H        ASP  58  -0.743   5.046 -10.165
  457    HA   ASP  58           HA       ASP  58  -2.735   6.342 -11.100
  458   1HB   ASP  58          2HB       ASP  58  -0.672   5.244 -12.341
  459   2HB   ASP  58          1HB       ASP  58  -1.918   4.169 -12.975
  460    H    ASN  59           H        ASN  59  -2.877   2.779 -11.163
  461    HA   ASN  59           HA       ASN  59  -5.819   2.838 -11.056
  462   1HB   ASN  59          2HB       ASN  59  -6.062   2.400 -13.286
  463   2HB   ASN  59          1HB       ASN  59  -4.308   2.405 -13.514
  464   1HD2  ASN  59          2HD2      ASN  59  -6.267  -1.060 -13.483
  465   2HD2  ASN  59          1HD2      ASN  59  -7.105   0.428 -13.424
  466    H    GLU  60           H        GLU  60  -6.709   1.104 -10.204
  467    HA   GLU  60           HA       GLU  60  -5.362  -0.360  -8.260
  468   1HB   GLU  60          2HB       GLU  60  -7.553  -1.672  -8.133
  469   2HB   GLU  60          1HB       GLU  60  -7.610   0.054  -8.016
  470   1HG   GLU  60          2HG       GLU  60  -9.168   0.034  -9.613
  471   2HG   GLU  60          1HG       GLU  60  -7.903  -0.330 -10.789
  472    H    VAL  61           H        VAL  61  -5.452  -1.289 -11.622
  473    HA   VAL  61           HA       VAL  61  -5.060  -4.153 -11.176
  474    HB   VAL  61           HB       VAL  61  -4.327  -2.476 -13.601
  475   1HG1  VAL  61          1HG1      VAL  61  -3.118  -4.714 -13.085
  476   2HG1  VAL  61          3HG1      VAL  61  -4.703  -5.452 -13.445
  477   3HG1  VAL  61          2HG1      VAL  61  -3.833  -4.565 -14.668
  478   1HG2  VAL  61          2HG2      VAL  61  -6.874  -2.815 -12.867
  479   2HG2  VAL  61          1HG2      VAL  61  -6.374  -3.197 -14.512
  480   3HG2  VAL  61          3HG2      VAL  61  -6.569  -4.486 -13.300
  481    H    GLN  62           H        GLN  62  -3.141  -1.313 -11.733
  482    HA   GLN  62           HA       GLN  62  -0.612  -2.670 -11.243
  483   1HB   GLN  62          2HB       GLN  62  -0.720   0.333 -11.094
  484   2HB   GLN  62          1HB       GLN  62   0.540  -0.711 -11.633
  485   1HG   GLN  62          2HG       GLN  62  -0.126  -0.558 -13.799
  486   2HG   GLN  62          1HG       GLN  62  -1.718  -1.052 -13.366
  487   1HE2  GLN  62          2HE2      GLN  62  -2.191   2.333 -14.750
  488   2HE2  GLN  62          1HE2      GLN  62  -1.686   0.839 -15.325
  489    H    ALA  63           H        ALA  63  -2.873  -0.715  -9.265
  490    HA   ALA  63           HA       ALA  63  -0.959  -0.436  -7.178
  491   1HB   ALA  63          3HB       ALA  63  -3.434   0.660  -7.724
  492   2HB   ALA  63          2HB       ALA  63  -3.872  -0.550  -6.483
  493   3HB   ALA  63          1HB       ALA  63  -2.763   0.714  -6.063
  494    H    GLY  64           H        GLY  64  -3.426  -2.587  -8.176
  495   1HA   GLY  64          2HA       GLY  64  -3.597  -4.350  -5.981
  496   2HA   GLY  64          1HA       GLY  64  -4.098  -4.663  -7.685
  497    H    ALA  65           H        ALA  65  -1.667  -4.214  -8.985
  498    HA   ALA  65           HA       ALA  65  -0.510  -6.821  -8.672
  499   1HB   ALA  65          1HB       ALA  65   0.333  -4.417 -10.298
  500   2HB   ALA  65          3HB       ALA  65   1.098  -5.990 -10.408
  501   3HB   ALA  65          2HB       ALA  65  -0.589  -5.801 -10.921
  502    H    ALA  66           H        ALA  66   0.873  -3.507  -8.168
  503    HA   ALA  66           HA       ALA  66   3.249  -4.294  -6.862
  504   1HB   ALA  66          1HB       ALA  66   1.551  -1.791  -6.980
  505   2HB   ALA  66          3HB       ALA  66   2.626  -1.955  -5.621
  506   3HB   ALA  66          2HB       ALA  66   3.314  -1.972  -7.221
  507    H    ARG  67           H        ARG  67   0.094  -3.518  -5.569
  508    HA   ARG  67           HA       ARG  67   0.617  -3.735  -2.782
  509   1HB   ARG  67          2HB       ARG  67  -1.608  -2.866  -3.573
  510   2HB   ARG  67          1HB       ARG  67  -1.941  -4.441  -4.236
  511   1HG   ARG  67          2HG       ARG  67  -0.998  -4.423  -1.432
  512   2HG   ARG  67          1HG       ARG  67  -2.573  -3.647  -1.684
  513   1HD   ARG  67          2HD       ARG  67  -3.320  -5.665  -2.984
  514   2HD   ARG  67          1HD       ARG  67  -1.858  -6.540  -2.465
  515    HE   ARG  67           HE       ARG  67  -3.398  -7.087  -0.791
  516   1HH1  ARG  67          2HH2      ARG  67  -1.952  -5.623   1.051
  517   2HH1  ARG  67          1HH2      ARG  67  -2.968  -4.388   1.691
  518   1HH2  ARG  67          2HH1      ARG  67  -5.149  -4.769  -1.086
  519   2HH2  ARG  67          1HH1      ARG  67  -4.955  -3.849   0.349
  520    H    ASP  68           H        ASP  68  -0.882  -6.195  -4.956
  521    HA   ASP  68           HA       ASP  68  -0.654  -8.348  -3.111
  522   1HB   ASP  68          2HB       ASP  68  -2.124  -8.283  -5.261
  523   2HB   ASP  68          1HB       ASP  68  -0.632  -8.740  -6.113
  524    H    ALA  69           H        ALA  69   1.768  -6.939  -5.212
  525    HA   ALA  69           HA       ALA  69   3.456  -9.319  -5.187
  526   1HB   ALA  69          1HB       ALA  69   3.545  -6.819  -6.495
  527   2HB   ALA  69          3HB       ALA  69   5.033  -6.988  -5.510
  528   3HB   ALA  69          2HB       ALA  69   4.643  -8.183  -6.745
  529    H    LEU  70           H        LEU  70   3.133  -6.314  -3.366
  530    HA   LEU  70           HA       LEU  70   4.857  -7.440  -1.208
  531   1HB   LEU  70          2HB       LEU  70   5.665  -5.132  -0.703
  532   2HB   LEU  70          1HB       LEU  70   6.168  -5.681  -2.306
  533    HG   LEU  70           HG       LEU  70   3.575  -4.382  -2.323
  534   1HD1  LEU  70          3HD1      LEU  70   5.665  -3.109  -0.770
  535   2HD1  LEU  70          2HD1      LEU  70   5.238  -2.108  -2.153
  536   3HD1  LEU  70          1HD1      LEU  70   3.983  -2.598  -1.006
  537   1HD2  LEU  70          2HD2      LEU  70   5.012  -4.796  -4.330
  538   2HD2  LEU  70          1HD2      LEU  70   4.604  -3.105  -4.154
  539   3HD2  LEU  70          3HD2      LEU  70   6.224  -3.680  -3.700
  540    H    GLN  71           H        GLN  71   2.247  -7.976  -1.204
  541    HA   GLN  71           HA       GLN  71   0.710  -5.953   0.207
  542   1HB   GLN  71          2HB       GLN  71  -0.939  -7.095  -0.676
  543   2HB   GLN  71          1HB       GLN  71   0.226  -8.279  -1.336
  544   1HG   GLN  71          2HG       GLN  71   0.094  -9.551   0.769
  545   2HG   GLN  71          1HG       GLN  71  -1.131  -8.415   1.371
  546   1HE2  GLN  71          2HE2      GLN  71  -2.165 -11.040  -1.549
  547   2HE2  GLN  71          1HE2      GLN  71  -0.530 -10.768  -1.242
  548    H    GLY  72           H        GLY  72   3.121  -8.043   0.952
  549   1HA   GLY  72          2HA       GLY  72   2.751  -7.793   3.816
  550   2HA   GLY  72          1HA       GLY  72   2.570  -9.462   3.243
  551    H    PHE  73           H        PHE  73   4.566  -6.792   2.189
  552    HA   PHE  73           HA       PHE  73   6.819  -8.100   1.383
  553   1HB   PHE  73          2HB       PHE  73   6.265  -5.641   1.083
  554   2HB   PHE  73          1HB       PHE  73   6.888  -5.346   2.677
  555    HD1  PHE  73           HD2      PHE  73   7.776  -7.227  -0.404
  556    HD2  PHE  73           HD1      PHE  73   9.177  -4.674   2.766
  557    HE1  PHE  73           HE2      PHE  73  10.074  -7.161  -1.404
  558    HE2  PHE  73           HE1      PHE  73  11.392  -4.616   1.798
  559    HZ   PHE  73           HZ       PHE  73  11.885  -5.860  -0.293
  560    H    LYS  74           H        LYS  74   7.404  -9.720   2.784
  561    HA   LYS  74           HA       LYS  74   7.752  -9.492   5.663
  562   1HB   LYS  74          2HB       LYS  74   9.450 -11.458   5.219
  563   2HB   LYS  74          1HB       LYS  74   7.744 -11.789   4.846
  564   1HG   LYS  74          2HG       LYS  74   8.054 -11.759   2.574
  565   2HG   LYS  74          1HG       LYS  74   9.424 -10.702   2.673
  566   1HD   LYS  74          2HD       LYS  74  10.330 -12.802   2.118
  567   2HD   LYS  74          1HD       LYS  74  10.748 -12.570   3.817
  568   1HE   LYS  74          2HE       LYS  74   9.825 -14.728   3.972
  569   2HE   LYS  74          1HE       LYS  74   8.326 -13.805   3.983
  570   1HZ   LYS  74          2HZ       LYS  74   8.245 -14.053   1.544
  571   2HZ   LYS  74          1HZ       LYS  74   9.615 -15.035   1.622
  572   3HZ   LYS  74          3HZ       LYS  74   8.134 -15.518   2.354
  573    H    ILE  75           H        ILE  75   8.685  -7.522   5.874
  574    HA   ILE  75           HA       ILE  75  11.227  -6.837   4.730
  575    HB   ILE  75           HB       ILE  75   9.681  -5.893   7.217
  576   1HG1  ILE  75          2HG1      ILE  75  10.278  -4.223   4.850
  577   2HG1  ILE  75          1HG1      ILE  75   9.164  -5.552   4.565
  578   1HG2  ILE  75          1HG2      ILE  75  12.405  -5.096   6.077
  579   2HG2  ILE  75          3HG2      ILE  75  11.307  -3.854   6.595
  580   3HG2  ILE  75          2HG2      ILE  75  11.866  -5.083   7.764
  581   1HD1  ILE  75          2HD1      ILE  75   8.422  -4.260   7.029
  582   2HD1  ILE  75          1HD1      ILE  75   8.682  -3.003   5.808
  583   3HD1  ILE  75          3HD1      ILE  75   7.525  -4.288   5.523
  584    H    THR  76           H        THR  76  10.329  -8.691   7.498
  585    HA   THR  76           HA       THR  76  13.259  -9.285   7.891
  586    HB   THR  76           HB       THR  76  11.320  -9.411  10.165
  587    HG1  THR  76          1HG       THR  76  11.829  -7.151   9.220
  588   1HG2  THR  76          3HG2      THR  76  13.442 -10.682  10.123
  589   2HG2  THR  76          2HG2      THR  76  14.344  -9.176   9.975
  590   3HG2  THR  76          1HG2      THR  76  13.417  -9.512  11.444
  591    H    GLN  77           H        GLN  77  10.065 -10.498   8.443
  592    HA   GLN  77           HA       GLN  77   9.849 -12.855   7.313
  593   1HB   GLN  77          2HB       GLN  77  11.843 -13.944   8.034
  594   2HB   GLN  77          1HB       GLN  77  11.764 -13.106   9.607
  595   1HG   GLN  77          2HG       GLN  77  11.341 -15.368  10.018
  596   2HG   GLN  77          1HG       GLN  77   9.808 -14.525  10.246
  597   1HE2  GLN  77          1HE2      GLN  77  10.303 -16.776   6.829
  598   2HE2  GLN  77          2HE2      GLN  77  11.640 -15.977   7.491
  599    H    ASN  78           H        ASN  78   9.891 -11.393  10.441
  600    HA   ASN  78           HA       ASN  78   7.161 -12.401  11.073
  601   1HB   ASN  78          2HB       ASN  78   9.247 -12.382  12.772
  602   2HB   ASN  78          1HB       ASN  78   8.726 -10.685  12.948
  603   1HD2  ASN  78          2HD2      ASN  78   5.362 -11.991  13.966
  604   2HD2  ASN  78          1HD2      ASN  78   5.868 -11.003  12.710
  605    H    ASN  79           H        ASN  79   9.191  -9.619  10.570
  606    HA   ASN  79           HA       ASN  79   7.055  -7.662  10.792
  607   1HB   ASN  79          2HB       ASN  79   9.988  -7.458  10.035
  608   2HB   ASN  79          1HB       ASN  79   8.890  -6.081  10.028
  609   1HD2  ASN  79          1HD2      ASN  79   9.526  -7.690  13.721
  610   2HD2  ASN  79          2HD2      ASN  79   9.311  -8.756  12.389
  611    H    ALA  80           H        ALA  80   5.654  -7.610   9.141
  612    HA   ALA  80           HA       ALA  80   6.596  -7.814   6.355
  613   1HB   ALA  80          1HB       ALA  80   5.569  -9.960   6.994
  614   2HB   ALA  80          3HB       ALA  80   4.106  -9.098   7.538
  615   3HB   ALA  80          2HB       ALA  80   4.530  -9.064   5.853
  616    H    MET  81           H        MET  81   5.925  -6.121   5.224
  617    HA   MET  81           HA       MET  81   4.880  -3.775   6.100
  618   1HB   MET  81          2HB       MET  81   5.969  -3.903   4.046
  619   2HB   MET  81          1HB       MET  81   4.870  -5.070   3.375
  620   1HG   MET  81          2HG       MET  81   3.033  -3.464   3.276
  621   2HG   MET  81          1HG       MET  81   4.069  -2.257   4.084
  622   1HE   MET  81          2HE       MET  81   6.450  -2.038   3.304
  623   2HE   MET  81          1HE       MET  81   6.987  -3.303   2.171
  624   3HE   MET  81          3HE       MET  81   6.851  -1.603   1.641
  625    H    LYS  82           H        LYS  82   2.746  -2.779   6.199
  626    HA   LYS  82           HA       LYS  82   0.452  -4.393   5.306
  627   1HB   LYS  82          2HB       LYS  82   0.684  -3.063   8.022
  628   2HB   LYS  82          1HB       LYS  82  -0.808  -3.778   7.341
  629   1HG   LYS  82          2HG       LYS  82   1.462  -5.571   7.253
  630   2HG   LYS  82          1HG       LYS  82   1.143  -4.967   8.877
  631   1HD   LYS  82          2HD       LYS  82  -0.143  -7.052   8.455
  632   2HD   LYS  82          1HD       LYS  82  -1.205  -5.654   8.774
  633   1HE   LYS  82          2HE       LYS  82  -1.445  -5.385   6.322
  634   2HE   LYS  82          1HE       LYS  82  -0.367  -6.770   6.090
  635   1HZ   LYS  82          1HZ       LYS  82  -2.224  -7.670   7.818
  636   2HZ   LYS  82          3HZ       LYS  82  -3.134  -6.648   6.798
  637   3HZ   LYS  82          2HZ       LYS  82  -2.217  -7.941   6.119
  638    H    ILE  83           H        ILE  83  -0.474  -3.349   3.886
  639    HA   ILE  83           HA       ILE  83  -0.501  -0.402   3.463
  640    HB   ILE  83           HB       ILE  83  -0.222  -2.878   1.665
  641   1HG1  ILE  83          2HG1      ILE  83   1.383  -0.350   1.703
  642   2HG1  ILE  83          1HG1      ILE  83   1.827  -1.843   2.575
  643   1HG2  ILE  83          1HG2      ILE  83  -1.286  -0.124   1.165
  644   2HG2  ILE  83          3HG2      ILE  83  -0.220  -0.773  -0.060
  645   3HG2  ILE  83          2HG2      ILE  83  -1.730  -1.630   0.334
  646   1HD1  ILE  83          2HD1      ILE  83   1.116  -2.104  -0.329
  647   2HD1  ILE  83          1HD1      ILE  83   2.662  -1.378   0.034
  648   3HD1  ILE  83          3HD1      ILE  83   2.261  -2.985   0.671
  649    H    SER  84           H        SER  84  -2.504   0.339   3.520
  650    HA   SER  84           HA       SER  84  -4.786  -1.480   3.224
  651   1HB   SER  84          2HB       SER  84  -4.607  -1.109   5.489
  652   2HB   SER  84          1HB       SER  84  -4.304   0.638   5.276
  653    HG   SER  84           HG       SER  84  -6.351   0.990   4.845
  654    H    PHE  85           H        PHE  85  -5.652  -0.817   1.306
  655    HA   PHE  85           HA       PHE  85  -5.546   1.298  -0.260
  656   1HB   PHE  85          2HB       PHE  85  -8.338   0.657   0.393
  657   2HB   PHE  85          1HB       PHE  85  -7.494   0.742  -1.176
  658    HD1  PHE  85           HD2      PHE  85  -8.121  -1.254   1.836
  659    HD2  PHE  85           HD1      PHE  85  -6.623  -1.258  -2.232
  660    HE1  PHE  85           HE2      PHE  85  -8.066  -3.713   1.883
  661    HE2  PHE  85           HE1      PHE  85  -6.579  -3.741  -2.180
  662    HZ   PHE  85           HZ       PHE  85  -7.278  -4.947  -0.192
  663    H    ALA  86           H        ALA  86  -6.696   3.250  -0.524
  664    HA   ALA  86           HA       ALA  86  -7.295   4.814   1.919
  665   1HB   ALA  86          2HB       ALA  86  -6.410   5.249  -0.911
  666   2HB   ALA  86          1HB       ALA  86  -7.280   6.551  -0.172
  667   3HB   ALA  86          3HB       ALA  86  -5.754   5.932   0.537
  668    H    LYS  87           H        LYS  87  -8.603   5.044  -1.450
  669    HA   LYS  87           HA       LYS  87 -10.982   6.263  -0.663
  670   1HB   LYS  87          2HB       LYS  87  -9.828   5.691  -3.094
  671   2HB   LYS  87          1HB       LYS  87 -11.311   4.689  -3.049
  672   1HG   LYS  87          2HG       LYS  87 -12.307   6.624  -3.774
  673   2HG   LYS  87          1HG       LYS  87 -12.276   6.989  -2.067
  674   1HD   LYS  87          2HD       LYS  87 -10.787   8.696  -2.413
  675   2HD   LYS  87          1HD       LYS  87  -9.755   7.623  -3.374
  676   1HE   LYS  87          2HE       LYS  87 -11.966   8.069  -4.964
  677   2HE   LYS  87          1HE       LYS  87 -11.806   9.592  -4.121
  678   1HZ   LYS  87          3HZ       LYS  87  -9.250   8.914  -4.887
  679   2HZ   LYS  87          2HZ       LYS  87 -10.201   8.535  -6.233
  680   3HZ   LYS  87          1HZ       LYS  87 -10.188  10.130  -5.617
  681    H    LYS  88           H        LYS  88 -13.143   5.323  -1.253
  682    HA   LYS  88           HA       LYS  88 -13.664   2.944   0.410
  683   1HB   LYS  88          2HB       LYS  88 -14.831   5.005   1.028
  684   2HB   LYS  88          1HB       LYS  88 -15.263   5.253  -0.648
  685   1HG   LYS  88          2HG       LYS  88 -17.290   4.403   0.314
  686   2HG   LYS  88          1HG       LYS  88 -16.558   2.884  -0.275
  687   1HD   LYS  88          2HD       LYS  88 -15.663   2.419   1.862
  688   2HD   LYS  88          1HD       LYS  88 -16.061   4.016   2.485
  689   1HE   LYS  88          2HE       LYS  88 -18.316   3.559   2.647
  690   2HE   LYS  88          1HE       LYS  88 -18.293   2.316   1.421
  691   1HZ   LYS  88          1HZ       LYS  88 -16.984   0.879   2.961
  692   2HZ   LYS  88          3HZ       LYS  88 -17.244   2.092   4.154
  693   3HZ   LYS  88          2HZ       LYS  88 -18.558   1.254   3.457
   
  No H/Q in entry =         693
  Start of MODEL   17
    1   1H    MET   1          2H        MET   1 -28.809  -5.259   5.447
    2   2H    MET   1          1H        MET   1 -30.036  -6.211   6.101
    3   3H    MET   1          3H        MET   1 -28.918  -6.919   5.027
    4    HA   MET   1           HA       MET   1 -30.860  -6.629   3.819
    5   1HB   MET   1          2HB       MET   1 -32.186  -5.185   5.185
    6   2HB   MET   1          1HB       MET   1 -30.953  -3.936   5.095
    7   1HG   MET   1          2HG       MET   1 -32.038  -4.772   2.457
    8   2HG   MET   1          1HG       MET   1 -33.227  -4.113   3.536
    9   1HE   MET   1          1HE       MET   1 -32.649  -2.498   5.156
   10   2HE   MET   1          3HE       MET   1 -31.399  -1.235   5.027
   11   3HE   MET   1          2HE       MET   1 -32.993  -1.004   4.294
   12    H    ALA   2           H        ALA   2 -30.648  -6.077   1.650
   13    HA   ALA   2           HA       ALA   2 -29.789  -5.251  -0.321
   14   1HB   ALA   2          2HB       ALA   2 -29.437  -3.141   1.489
   15   2HB   ALA   2          1HB       ALA   2 -27.917  -3.244   0.548
   16   3HB   ALA   2          3HB       ALA   2 -29.452  -3.036  -0.256
   17    HA   PRO   3           HA       PRO   3 -25.950  -7.513  -0.341
   18   1HB   PRO   3          2HB       PRO   3 -25.235  -7.005  -2.936
   19   2HB   PRO   3          1HB       PRO   3 -26.412  -8.260  -2.411
   20   1HG   PRO   3          2HG       PRO   3 -26.904  -5.744  -3.886
   21   2HG   PRO   3          1HG       PRO   3 -28.012  -7.101  -3.559
   22   1HD   PRO   3          2HD       PRO   3 -27.880  -4.496  -2.219
   23   2HD   PRO   3          1HD       PRO   3 -29.066  -5.777  -2.018
   24    H    ALA   4           H        ALA   4 -25.506  -4.868  -2.641
   25    HA   ALA   4           HA       ALA   4 -23.557  -3.474  -0.889
   26   1HB   ALA   4          2HB       ALA   4 -22.220  -5.257  -1.989
   27   2HB   ALA   4          1HB       ALA   4 -22.775  -4.655  -3.551
   28   3HB   ALA   4          3HB       ALA   4 -21.759  -3.636  -2.575
   29    H    GLN   5           H        GLN   5 -26.139  -2.592  -2.017
   30    HA   GLN   5           HA       GLN   5 -25.167  -0.591  -3.992
   31   1HB   GLN   5          2HB       GLN   5 -26.427  -2.249  -5.190
   32   2HB   GLN   5          1HB       GLN   5 -27.675  -2.255  -3.946
   33   1HG   GLN   5          2HG       GLN   5 -28.416  -0.046  -4.500
   34   2HG   GLN   5          1HG       GLN   5 -27.037   0.239  -5.560
   35   1HE2  GLN   5          1HE2      GLN   5 -29.340  -2.574  -7.282
   36   2HE2  GLN   5          2HE2      GLN   5 -28.615  -2.943  -5.765
   37    HA   PRO   6           HA       PRO   6 -25.385   1.173  -4.685
   38   1HB   PRO   6          2HB       PRO   6 -25.726   3.916  -4.449
   39   2HB   PRO   6          1HB       PRO   6 -26.818   2.825  -5.284
   40   1HG   PRO   6          2HG       PRO   6 -27.304   4.311  -2.904
   41   2HG   PRO   6          1HG       PRO   6 -28.414   3.085  -3.612
   42   1HD   PRO   6          2HD       PRO   6 -26.436   2.799  -1.356
   43   2HD   PRO   6          1HD       PRO   6 -27.996   1.966  -1.612
   44    H    LEU   7           H        LEU   7 -24.800   1.624  -1.355
   45    HA   LEU   7           HA       LEU   7 -21.960   2.168  -1.710
   46   1HB   LEU   7          2HB       LEU   7 -23.277   4.509  -1.558
   47   2HB   LEU   7          1HB       LEU   7 -23.363   4.074   0.147
   48    HG   LEU   7           HG       LEU   7 -20.823   3.530  -0.148
   49   1HD1  LEU   7          3HD1      LEU   7 -21.505   5.110  -2.646
   50   2HD1  LEU   7          2HD1      LEU   7 -20.007   5.477  -1.799
   51   3HD1  LEU   7          1HD1      LEU   7 -20.271   3.854  -2.381
   52   1HD2  LEU   7          1HD2      LEU   7 -22.122   5.471   1.005
   53   2HD2  LEU   7          3HD2      LEU   7 -20.379   5.590   0.832
   54   3HD2  LEU   7          2HD2      LEU   7 -21.424   6.482  -0.277
   55    H    SER   8           H        SER   8 -23.796   0.085  -0.714
   56    HA   SER   8           HA       SER   8 -23.624   0.082   2.157
   57   1HB   SER   8          2HB       SER   8 -24.414  -1.943   0.105
   58   2HB   SER   8          1HB       SER   8 -24.188  -2.443   1.762
   59    HG   SER   8           HG       SER   8 -26.065  -0.697   0.585
   60    H    GLU   9           H        GLU   9 -22.328  -1.450   3.419
   61    HA   GLU   9           HA       GLU   9 -20.356  -2.551   3.994
   62   1HB   GLU   9          2HB       GLU   9 -21.146  -3.665   1.574
   63   2HB   GLU   9          1HB       GLU   9 -19.541  -3.065   1.200
   64   1HG   GLU   9          2HG       GLU   9 -18.493  -4.581   2.420
   65   2HG   GLU   9          1HG       GLU   9 -19.684  -4.544   3.746
   66    H    ASN  10           H        ASN  10 -17.980  -2.301   3.901
   67    HA   ASN  10           HA       ASN  10 -17.180   0.388   3.457
   68   1HB   ASN  10          2HB       ASN  10 -16.092  -1.930   4.620
   69   2HB   ASN  10          1HB       ASN  10 -14.953  -1.455   3.327
   70   1HD2  ASN  10          2HD2      ASN  10 -13.666   1.086   5.409
   71   2HD2  ASN  10          1HD2      ASN  10 -13.300  -0.176   4.326
   72    HA   PRO  11           HA       PRO  11 -16.843   0.019  -1.047
   73   1HB   PRO  11          2HB       PRO  11 -15.222   2.472  -0.695
   74   2HB   PRO  11          1HB       PRO  11 -16.653   2.205  -1.669
   75   1HG   PRO  11          2HG       PRO  11 -16.591   3.715   0.655
   76   2HG   PRO  11          1HG       PRO  11 -18.084   2.918   0.058
   77   1HD   PRO  11          2HD       PRO  11 -16.365   2.103   2.329
   78   2HD   PRO  11          1HD       PRO  11 -18.031   1.700   1.971
   79    HA   PRO  12           HA       PRO  12 -12.799  -1.367  -1.942
   80   1HB   PRO  12          2HB       PRO  12 -12.154   0.392  -4.123
   81   2HB   PRO  12          1HB       PRO  12 -12.724  -1.307  -4.154
   82   1HG   PRO  12          2HG       PRO  12 -14.167   1.109  -4.775
   83   2HG   PRO  12          1HG       PRO  12 -14.772  -0.584  -4.781
   84   1HD   PRO  12          2HD       PRO  12 -15.396   1.539  -2.913
   85   2HD   PRO  12          1HD       PRO  12 -16.135  -0.090  -3.011
   86    H    ASN  13           H        ASN  13 -10.565  -0.587  -2.181
   87    HA   ASN  13           HA       ASN  13 -10.216   1.902  -0.551
   88   1HB   ASN  13          2HB       ASN  13  -7.957   0.726   0.076
   89   2HB   ASN  13          1HB       ASN  13  -9.440   0.303   0.928
   90   1HD2  ASN  13          2HD2      ASN  13  -8.458  -3.059   0.122
   91   2HD2  ASN  13          1HD2      ASN  13  -8.639  -1.868   1.337
   92    H    HIS  14           H        HIS  14  -7.421   0.410  -1.837
   93    HA   HIS  14           HA       HIS  14  -6.012   0.921  -3.560
   94   1HB   HIS  14          2HB       HIS  14  -6.492   2.116  -5.333
   95   2HB   HIS  14          1HB       HIS  14  -8.096   1.878  -4.723
   96    HD1  HIS  14           HD1      HIS  14  -9.530   3.755  -4.566
   97    HD2  HIS  14           HD2      HIS  14  -5.644   5.170  -4.252
   98    HE1  HIS  14           HE1      HIS  14  -9.717   6.213  -4.417
   99    HE2  HIS  14           HE2      HIS  14  -7.359   7.137  -4.219
  100    H    ILE  15           H        ILE  15  -6.346   2.095  -0.766
  101    HA   ILE  15           HA       ILE  15  -4.000   3.901  -0.913
  102    HB   ILE  15           HB       ILE  15  -6.572   4.657   0.399
  103   1HG1  ILE  15          2HG1      ILE  15  -4.243   6.115  -0.854
  104   2HG1  ILE  15          1HG1      ILE  15  -5.728   5.699  -1.693
  105   1HG2  ILE  15          3HG2      ILE  15  -3.743   5.143   1.388
  106   2HG2  ILE  15          2HG2      ILE  15  -5.093   6.140   1.911
  107   3HG2  ILE  15          1HG2      ILE  15  -5.096   4.425   2.295
  108   1HD1  ILE  15          1HD1      ILE  15  -6.188   7.224   0.798
  109   2HD1  ILE  15          3HD1      ILE  15  -5.292   8.088  -0.429
  110   3HD1  ILE  15          2HD1      ILE  15  -6.845   7.422  -0.853
  111    H    LEU  16           H        LEU  16  -2.460   2.654   0.062
  112    HA   LEU  16           HA       LEU  16  -3.227   1.104   2.476
  113   1HB   LEU  16          2HB       LEU  16  -0.855   0.496   0.746
  114   2HB   LEU  16          1HB       LEU  16  -1.816  -0.677   1.657
  115    HG   LEU  16           HG       LEU  16  -3.707   0.175  -0.029
  116   1HD1  LEU  16          2HD1      LEU  16  -1.210   1.246  -1.026
  117   2HD1  LEU  16          1HD1      LEU  16  -1.788   0.053  -2.158
  118   3HD1  LEU  16          3HD1      LEU  16  -2.826   1.432  -1.704
  119   1HD2  LEU  16          1HD2      LEU  16  -2.223  -2.125   0.423
  120   2HD2  LEU  16          3HD2      LEU  16  -3.503  -1.997  -0.790
  121   3HD2  LEU  16          2HD2      LEU  16  -1.806  -1.742  -1.231
  122    H    PHE  17           H        PHE  17  -2.560   1.997   4.159
  123    HA   PHE  17           HA       PHE  17  -0.048   3.497   4.309
  124   1HB   PHE  17          2HB       PHE  17  -1.622   5.206   4.779
  125   2HB   PHE  17          1HB       PHE  17  -2.684   4.023   5.564
  126    HD1  PHE  17           HD2      PHE  17   0.823   5.306   5.802
  127    HD2  PHE  17           HD1      PHE  17  -2.622   3.866   7.998
  128    HE1  PHE  17           HE2      PHE  17   2.001   5.683   7.907
  129    HE2  PHE  17           HE1      PHE  17  -1.458   4.233  10.101
  130    HZ   PHE  17           HZ       PHE  17   0.900   5.162  10.094
  131    H    LEU  18           H        LEU  18   1.288   2.761   5.660
  132    HA   LEU  18           HA       LEU  18   0.906   1.862   8.173
  133   1HB   LEU  18          2HB       LEU  18   0.421  -0.574   6.568
  134   2HB   LEU  18          1HB       LEU  18   1.392  -0.711   7.965
  135    HG   LEU  18           HG       LEU  18  -1.389   0.206   8.062
  136   1HD1  LEU  18          1HD1      LEU  18  -0.540  -2.142   7.939
  137   2HD1  LEU  18          3HD1      LEU  18   0.201  -1.797   9.531
  138   3HD1  LEU  18          2HD1      LEU  18  -1.547  -1.710   9.350
  139   1HD2  LEU  18          2HD2      LEU  18   0.982   0.646   9.872
  140   2HD2  LEU  18          1HD2      LEU  18  -0.478   1.618   9.845
  141   3HD2  LEU  18          3HD2      LEU  18  -0.476  -0.005  10.603
  142    H    THR  19           H        THR  19   2.982   0.076   8.341
  143    HA   THR  19           HA       THR  19   5.269   1.665   7.391
  144    HB   THR  19           HB       THR  19   4.918   2.978   9.273
  145    HG1  THR  19          1HG       THR  19   6.056   0.660  10.528
  146   1HG2  THR  19          3HG2      THR  19   3.524   0.572  10.438
  147   2HG2  THR  19          2HG2      THR  19   3.897   1.969  11.453
  148   3HG2  THR  19          1HG2      THR  19   2.892   2.171  10.039
  149    H    ASN  20           H        ASN  20   7.111   0.605   8.586
  150    HA   ASN  20           HA       ASN  20   8.063  -1.101   9.732
  151   1HB   ASN  20          2HB       ASN  20   5.887  -2.329  10.029
  152   2HB   ASN  20          1HB       ASN  20   6.175  -3.139   8.498
  153   1HD2  ASN  20          1HD2      ASN  20   7.630  -4.692  11.821
  154   2HD2  ASN  20          2HD2      ASN  20   6.240  -3.753  11.656
  155    H    LEU  21           H        LEU  21   8.737   0.311   7.569
  156    HA   LEU  21           HA       LEU  21   9.674  -1.630   5.537
  157   1HB   LEU  21          2HB       LEU  21   9.661   1.361   5.583
  158   2HB   LEU  21          1HB       LEU  21  10.452   0.408   4.336
  159    HG   LEU  21           HG       LEU  21   8.514  -0.105   3.285
  160   1HD1  LEU  21          2HD1      LEU  21   7.697  -1.502   5.328
  161   2HD1  LEU  21          1HD1      LEU  21   6.938  -0.013   5.887
  162   3HD1  LEU  21          3HD1      LEU  21   6.413  -0.690   4.375
  163   1HD2  LEU  21          3HD2      LEU  21   8.363   2.404   4.606
  164   2HD2  LEU  21          2HD2      LEU  21   7.642   1.921   3.083
  165   3HD2  LEU  21          1HD2      LEU  21   6.753   1.745   4.607
  166    HA   PRO  22           HA       PRO  22  13.733  -1.839   7.048
  167   1HB   PRO  22          2HB       PRO  22  14.939  -1.594   4.426
  168   2HB   PRO  22          1HB       PRO  22  14.731  -3.017   5.506
  169   1HG   PRO  22          2HG       PRO  22  13.303  -2.518   3.094
  170   2HG   PRO  22          1HG       PRO  22  12.994  -3.804   4.261
  171   1HD   PRO  22          2HD       PRO  22  11.405  -1.422   3.817
  172   2HD   PRO  22          1HD       PRO  22  11.111  -2.798   4.861
  173    H    GLU  23           H        GLU  23  16.006  -0.725   6.221
  174    HA   GLU  23           HA       GLU  23  15.606   2.149   6.778
  175   1HB   GLU  23          2HB       GLU  23  16.949   0.746   8.396
  176   2HB   GLU  23          1HB       GLU  23  18.180   0.570   7.170
  177   1HG   GLU  23          2HG       GLU  23  17.448   3.340   7.291
  178   2HG   GLU  23          1HG       GLU  23  17.746   2.770   8.937
  179    H    GLU  24           H        GLU  24  17.207  -0.053   4.532
  180    HA   GLU  24           HA       GLU  24  18.444   2.202   3.141
  181   1HB   GLU  24          2HB       GLU  24  19.279   0.645   1.562
  182   2HB   GLU  24          1HB       GLU  24  19.347  -0.212   3.091
  183   1HG   GLU  24          2HG       GLU  24  16.803  -0.748   2.247
  184   2HG   GLU  24          1HG       GLU  24  17.705  -0.722   0.697
  185    H    THR  25           H        THR  25  15.448   0.985   3.518
  186    HA   THR  25           HA       THR  25  14.121   1.237   0.990
  187    HB   THR  25           HB       THR  25  12.869   1.881   3.672
  188    HG1  THR  25          1HG       THR  25  13.740  -0.646   2.718
  189   1HG2  THR  25          2HG2      THR  25  12.061   0.736   1.070
  190   2HG2  THR  25          1HG2      THR  25  11.246   0.015   2.476
  191   3HG2  THR  25          3HG2      THR  25  11.142   1.747   2.228
  192    H    ASN  26           H        ASN  26  13.788   3.062  -0.140
  193    HA   ASN  26           HA       ASN  26  13.592   5.636   1.351
  194   1HB   ASN  26          2HB       ASN  26  15.020   6.795  -0.053
  195   2HB   ASN  26          1HB       ASN  26  15.887   5.273   0.304
  196   1HD2  ASN  26          1HD2      ASN  26  16.103   4.374  -3.096
  197   2HD2  ASN  26          2HD2      ASN  26  16.559   3.993  -1.525
  198    H    GLU  27           H        GLU  27  12.919   7.434  -0.270
  199    HA   GLU  27           HA       GLU  27  10.235   6.915  -1.079
  200   1HB   GLU  27          2HB       GLU  27  10.786   9.129  -0.375
  201   2HB   GLU  27          1HB       GLU  27  11.945   9.312  -1.723
  202   1HG   GLU  27          2HG       GLU  27   9.323   8.579  -2.715
  203   2HG   GLU  27          1HG       GLU  27   9.115   9.843  -1.547
  204    H    LEU  28           H        LEU  28  13.303   7.292  -3.145
  205    HA   LEU  28           HA       LEU  28  11.767   7.316  -5.537
  206   1HB   LEU  28          2HB       LEU  28  13.948   8.290  -5.782
  207   2HB   LEU  28          1HB       LEU  28  14.676   6.977  -4.825
  208    HG   LEU  28           HG       LEU  28  14.304   5.387  -6.697
  209   1HD1  LEU  28          1HD1      LEU  28  12.572   7.485  -7.582
  210   2HD1  LEU  28          3HD1      LEU  28  13.870   7.432  -8.752
  211   3HD1  LEU  28          2HD1      LEU  28  12.923   5.969  -8.368
  212   1HD2  LEU  28          3HD2      LEU  28  16.262   7.375  -6.471
  213   2HD2  LEU  28          2HD2      LEU  28  16.281   5.855  -7.391
  214   3HD2  LEU  28          1HD2      LEU  28  15.795   7.326  -8.184
  215    H    MET  29           H        MET  29  13.201   5.026  -3.406
  216    HA   MET  29           HA       MET  29  13.308   2.689  -4.976
  217   1HB   MET  29          2HB       MET  29  14.214   3.295  -2.642
  218   2HB   MET  29          1HB       MET  29  12.691   2.786  -1.984
  219   1HG   MET  29          2HG       MET  29  13.624   0.607  -2.032
  220   2HG   MET  29          1HG       MET  29  13.631   0.697  -3.790
  221   1HE   MET  29          3HE       MET  29  15.587  -0.943  -2.160
  222   2HE   MET  29          2HE       MET  29  17.195  -0.280  -1.866
  223   3HE   MET  29          1HE       MET  29  15.869   0.178  -0.820
  224    H    LEU  30           H        LEU  30  11.053   3.671  -2.469
  225    HA   LEU  30           HA       LEU  30   9.015   1.737  -3.127
  226   1HB   LEU  30          2HB       LEU  30   9.615   3.706  -1.113
  227   2HB   LEU  30          1HB       LEU  30   7.909   3.883  -1.623
  228    HG   LEU  30           HG       LEU  30   7.917   1.308  -1.442
  229   1HD1  LEU  30          2HD1      LEU  30  10.456   1.993  -0.058
  230   2HD1  LEU  30          1HD1      LEU  30   9.574   0.557   0.450
  231   3HD1  LEU  30          3HD1      LEU  30  10.117   0.713  -1.230
  232   1HD2  LEU  30          3HD2      LEU  30   7.178   3.316   0.306
  233   2HD2  LEU  30          2HD2      LEU  30   6.841   1.620   0.554
  234   3HD2  LEU  30          1HD2      LEU  30   8.285   2.347   1.324
  235    H    SER  31           H        SER  31   9.814   4.951  -4.208
  236    HA   SER  31           HA       SER  31   7.364   5.868  -5.224
  237   1HB   SER  31          2HB       SER  31  10.160   6.420  -5.879
  238   2HB   SER  31          1HB       SER  31   8.903   6.870  -7.070
  239    HG   SER  31           HG       SER  31   8.612   7.560  -4.350
  240    H    MET  32           H        MET  32  10.100   4.301  -6.819
  241    HA   MET  32           HA       MET  32   8.799   3.792  -9.319
  242   1HB   MET  32          2HB       MET  32  10.825   2.841  -9.980
  243   2HB   MET  32          1HB       MET  32  11.254   4.172  -8.861
  244   1HG   MET  32          2HG       MET  32  11.628   2.600  -7.073
  245   2HG   MET  32          1HG       MET  32  11.114   1.251  -8.114
  246   1HE   MET  32          2HE       MET  32  13.377   1.068  -6.571
  247   2HE   MET  32          1HE       MET  32  14.890   0.887  -7.472
  248   3HE   MET  32          3HE       MET  32  14.540   2.411  -6.699
  249    H    LEU  33           H        LEU  33   9.248   1.900  -6.284
  250    HA   LEU  33           HA       LEU  33   8.625  -0.704  -7.409
  251   1HB   LEU  33          2HB       LEU  33   9.019   0.531  -4.705
  252   2HB   LEU  33          1HB       LEU  33   7.811  -0.705  -4.757
  253    HG   LEU  33           HG       LEU  33  10.491  -1.254  -5.984
  254   1HD1  LEU  33          3HD1      LEU  33  10.787  -0.567  -3.485
  255   2HD1  LEU  33          2HD1      LEU  33   9.767  -1.973  -3.140
  256   3HD1  LEU  33          1HD1      LEU  33  11.336  -2.158  -3.957
  257   1HD2  LEU  33          3HD2      LEU  33   8.002  -2.646  -5.598
  258   2HD2  LEU  33          2HD2      LEU  33   9.489  -3.357  -6.210
  259   3HD2  LEU  33          1HD2      LEU  33   9.126  -3.357  -4.483
  260    H    PHE  34           H        PHE  34   7.022   2.014  -6.007
  261    HA   PHE  34           HA       PHE  34   4.429   0.687  -6.175
  262   1HB   PHE  34          2HB       PHE  34   5.257   3.516  -5.360
  263   2HB   PHE  34          1HB       PHE  34   3.542   3.019  -5.462
  264    HD1  PHE  34           HD1      PHE  34   3.700   0.136  -4.509
  265    HD2  PHE  34           HD2      PHE  34   5.497   3.731  -3.036
  266    HE1  PHE  34           HE1      PHE  34   3.740  -0.871  -2.364
  267    HE2  PHE  34           HE2      PHE  34   5.586   2.742  -0.802
  268    HZ   PHE  34           HZ       PHE  34   4.683   0.353  -0.418
  269    H    ASN  35           H        ASN  35   6.393   2.735  -8.025
  270    HA   ASN  35           HA       ASN  35   4.560   3.737  -9.966
  271   1HB   ASN  35          2HB       ASN  35   7.020   4.395  -9.662
  272   2HB   ASN  35          1HB       ASN  35   7.414   2.993 -10.634
  273   1HD2  ASN  35          1HD2      ASN  35   6.165   6.415 -12.324
  274   2HD2  ASN  35          2HD2      ASN  35   6.650   6.227 -10.711
  275    H    GLN  36           H        GLN  36   6.366   0.785  -9.651
  276    HA   GLN  36           HA       GLN  36   6.266  -0.733 -11.880
  277   1HB   GLN  36          2HB       GLN  36   5.211  -1.221  -9.118
  278   2HB   GLN  36          1HB       GLN  36   5.140  -2.540 -10.235
  279   1HG   GLN  36          2HG       GLN  36   7.680  -1.018  -9.435
  280   2HG   GLN  36          1HG       GLN  36   7.313  -2.668  -8.936
  281   1HE2  GLN  36          2HE2      GLN  36   9.252  -2.170 -12.319
  282   2HE2  GLN  36          1HE2      GLN  36   9.103  -0.958 -11.120
  283    H    PHE  37           H        PHE  37   3.484   0.211 -10.036
  284    HA   PHE  37           HA       PHE  37   1.518  -1.228 -11.553
  285   1HB   PHE  37          2HB       PHE  37   1.361   0.463  -9.088
  286   2HB   PHE  37          1HB       PHE  37   0.006  -0.400  -9.716
  287    HD1  PHE  37           HD2      PHE  37   0.342  -2.917 -10.290
  288    HD2  PHE  37           HD1      PHE  37   3.006  -0.715  -7.819
  289    HE1  PHE  37           HE2      PHE  37   1.300  -5.084  -9.354
  290    HE2  PHE  37           HE1      PHE  37   3.973  -2.819  -6.869
  291    HZ   PHE  37           HZ       PHE  37   3.097  -4.988  -7.659
  292    HA   PRO  38           HA       PRO  38   0.690   2.241 -14.406
  293   1HB   PRO  38          2HB       PRO  38  -1.717   1.095 -15.263
  294   2HB   PRO  38          1HB       PRO  38  -0.104   0.809 -15.989
  295   1HG   PRO  38          2HG       PRO  38  -1.700  -0.894 -14.022
  296   2HG   PRO  38          1HG       PRO  38  -0.655  -1.424 -15.365
  297   1HD   PRO  38          2HD       PRO  38   0.179  -1.517 -12.859
  298   2HD   PRO  38          1HD       PRO  38   1.315  -1.024 -14.136
  299    H    GLY  39           H        GLY  39   0.040   4.012 -13.343
  300   1HA   GLY  39          2HA       GLY  39  -1.962   5.406 -12.903
  301   2HA   GLY  39          1HA       GLY  39  -2.682   4.045 -12.062
  302    H    PHE  40           H        PHE  40   0.278   3.710 -11.149
  303    HA   PHE  40           HA       PHE  40   0.497   4.191  -8.541
  304   1HB   PHE  40          2HB       PHE  40   2.592   3.725  -9.490
  305   2HB   PHE  40          1HB       PHE  40   2.285   4.856 -10.815
  306    HD1  PHE  40           HD2      PHE  40   2.683   4.878  -7.141
  307    HD2  PHE  40           HD1      PHE  40   3.498   6.843 -10.828
  308    HE1  PHE  40           HE2      PHE  40   4.026   6.678  -5.940
  309    HE2  PHE  40           HE1      PHE  40   4.812   8.604  -9.695
  310    HZ   PHE  40           HZ       PHE  40   5.064   8.468  -7.131
  311    H    LYS  41           H        LYS  41  -0.298   5.837  -7.289
  312    HA   LYS  41           HA       LYS  41  -0.330   8.560  -8.634
  313   1HB   LYS  41          2HB       LYS  41  -2.442   8.165  -8.490
  314   2HB   LYS  41          1HB       LYS  41  -2.334   7.051  -7.127
  315   1HG   LYS  41          2HG       LYS  41  -3.520   9.234  -6.653
  316   2HG   LYS  41          1HG       LYS  41  -2.169   8.879  -5.571
  317   1HD   LYS  41          2HD       LYS  41  -1.355  10.872  -6.116
  318   2HD   LYS  41          1HD       LYS  41  -1.071  10.263  -7.751
  319   1HE   LYS  41          2HE       LYS  41  -3.720  10.857  -7.914
  320   2HE   LYS  41          1HE       LYS  41  -3.075  12.205  -6.924
  321   1HZ   LYS  41          1HZ       LYS  41  -1.456  11.445  -9.210
  322   2HZ   LYS  41          3HZ       LYS  41  -2.956  12.141  -9.581
  323   3HZ   LYS  41          2HZ       LYS  41  -1.863  12.968  -8.609
  324    H    GLU  42           H        GLU  42  -0.365   7.425  -5.196
  325    HA   GLU  42           HA       GLU  42   1.591   9.568  -4.646
  326   1HB   GLU  42          2HB       GLU  42  -0.018  10.774  -3.672
  327   2HB   GLU  42          1HB       GLU  42  -1.151   9.402  -3.712
  328   1HG   GLU  42          2HG       GLU  42  -0.183   8.573  -1.598
  329   2HG   GLU  42          1HG       GLU  42   1.133   9.732  -1.750
  330    H    VAL  43           H        VAL  43   2.957   9.129  -3.108
  331    HA   VAL  43           HA       VAL  43   2.960   6.620  -1.612
  332    HB   VAL  43           HB       VAL  43   5.095   7.382  -3.567
  333   1HG1  VAL  43          3HG1      VAL  43   5.124   5.312  -1.381
  334   2HG1  VAL  43          2HG1      VAL  43   6.319   5.408  -2.709
  335   3HG1  VAL  43          1HG1      VAL  43   6.203   6.708  -1.541
  336   1HG2  VAL  43          3HG2      VAL  43   3.031   6.008  -4.304
  337   2HG2  VAL  43          2HG2      VAL  43   4.574   5.203  -4.581
  338   3HG2  VAL  43          1HG2      VAL  43   3.557   4.755  -3.199
  339    H    ARG  44           H        ARG  44   3.545   7.127   0.310
  340    HA   ARG  44           HA       ARG  44   5.115   9.527   0.899
  341   1HB   ARG  44          2HB       ARG  44   2.566   9.253   1.652
  342   2HB   ARG  44          1HB       ARG  44   3.172   8.142   2.836
  343   1HG   ARG  44          2HG       ARG  44   3.154  10.359   3.885
  344   2HG   ARG  44          1HG       ARG  44   4.848  10.002   3.521
  345   1HD   ARG  44          2HD       ARG  44   3.670  12.309   2.777
  346   2HD   ARG  44          1HD       ARG  44   5.075  11.583   2.049
  347    HE   ARG  44           HE       ARG  44   3.293  10.469   0.418
  348   1HH1  ARG  44          1HH1      ARG  44   1.441  12.571   2.173
  349   2HH1  ARG  44          2HH1      ARG  44   1.119  13.647   0.853
  350   1HH2  ARG  44          1HH2      ARG  44   3.485  12.324  -1.275
  351   2HH2  ARG  44          2HH2      ARG  44   2.221  13.520  -1.059
  352    H    LEU  45           H        LEU  45   7.017   8.527   0.926
  353    HA   LEU  45           HA       LEU  45   7.620   6.732   3.137
  354   1HB   LEU  45          2HB       LEU  45   7.407   5.461   0.841
  355   2HB   LEU  45          1HB       LEU  45   8.713   6.508   0.318
  356    HG   LEU  45           HG       LEU  45   9.426   4.248   0.959
  357   1HD1  LEU  45          1HD1      LEU  45  10.887   6.252   1.081
  358   2HD1  LEU  45          3HD1      LEU  45  10.571   6.296   2.810
  359   3HD1  LEU  45          2HD1      LEU  45  11.409   4.897   2.099
  360   1HD2  LEU  45          1HD2      LEU  45   8.562   5.168   3.727
  361   2HD2  LEU  45          3HD2      LEU  45   7.871   3.785   2.819
  362   3HD2  LEU  45          2HD2      LEU  45   9.500   3.697   3.426
  363    H    VAL  46           H        VAL  46   8.707   8.708   4.176
  364    HA   VAL  46           HA       VAL  46  10.528  10.114   2.432
  365    HB   VAL  46           HB       VAL  46   9.000  11.454   3.546
  366   1HG1  VAL  46          2HG1      VAL  46   9.513   9.817   5.867
  367   2HG1  VAL  46          1HG1      VAL  46   9.559  11.524   6.266
  368   3HG1  VAL  46          3HG1      VAL  46   8.118  10.849   5.453
  369   1HG2  VAL  46          3HG2      VAL  46  11.832  11.734   3.995
  370   2HG2  VAL  46          2HG2      VAL  46  10.581  12.908   3.489
  371   3HG2  VAL  46          1HG2      VAL  46  10.942  12.605   5.206
  372    HA   PRO  47           HA       PRO  47  14.091   7.610   3.697
  373   1HB   PRO  47          2HB       PRO  47  14.949  10.483   3.171
  374   2HB   PRO  47          1HB       PRO  47  15.878   8.980   2.864
  375   1HG   PRO  47          2HG       PRO  47  14.462   9.891   0.819
  376   2HG   PRO  47          1HG       PRO  47  14.174   8.172   1.276
  377   1HD   PRO  47          2HD       PRO  47  12.588  10.708   1.915
  378   2HD   PRO  47          1HD       PRO  47  12.013   9.079   1.439
  379    H    GLY  48           H        GLY  48  13.178  10.732   5.384
  380   1HA   GLY  48          2HA       GLY  48  15.063  10.340   7.527
  381   2HA   GLY  48          1HA       GLY  48  13.587  11.275   7.655
  382    H    ARG  49           H        ARG  49  11.697   9.533   6.946
  383    HA   ARG  49           HA       ARG  49  11.186   7.786   9.204
  384   1HB   ARG  49          2HB       ARG  49   9.786   8.077   6.521
  385   2HB   ARG  49          1HB       ARG  49   9.293   6.983   7.829
  386   1HG   ARG  49          2HG       ARG  49   9.798   9.862   8.537
  387   2HG   ARG  49          1HG       ARG  49   8.347   9.479   7.611
  388   1HD   ARG  49          2HD       ARG  49   7.617   9.194   9.736
  389   2HD   ARG  49          1HD       ARG  49   7.983   7.534   9.209
  390    HE   ARG  49           HE       ARG  49   9.913   7.477  10.571
  391   1HH1  ARG  49          2HH1      ARG  49  11.358   9.323  11.369
  392   2HH1  ARG  49          1HH1      ARG  49  10.678  10.208  12.706
  393   1HH2  ARG  49          2HH2      ARG  49   7.468   8.979  12.084
  394   2HH2  ARG  49          1HH2      ARG  49   8.449  10.005  13.122
  395    H    HIS  50           H        HIS  50  11.046   6.811   5.854
  396    HA   HIS  50           HA       HIS  50  11.780   5.055   4.623
  397   1HB   HIS  50          2HB       HIS  50  13.691   3.764   5.078
  398   2HB   HIS  50          1HB       HIS  50  14.168   5.400   5.366
  399    HD1  HIS  50           HD1      HIS  50  15.562   5.563   7.330
  400    HD2  HIS  50           HD2      HIS  50  12.812   2.534   7.967
  401    HE1  HIS  50           HE1      HIS  50  16.040   4.574   9.625
  402    HE2  HIS  50           HE2      HIS  50  14.380   2.733  10.027
  403    H    ASP  51           H        ASP  51  10.024   5.215   7.202
  404    HA   ASP  51           HA       ASP  51   9.554   2.283   7.258
  405   1HB   ASP  51          2HB       ASP  51  10.689   3.776   9.377
  406   2HB   ASP  51          1HB       ASP  51   9.015   3.384   9.866
  407    H    ILE  52           H        ILE  52   7.946   5.187   6.843
  408    HA   ILE  52           HA       ILE  52   5.381   3.902   7.546
  409    HB   ILE  52           HB       ILE  52   4.332   5.989   7.901
  410   1HG1  ILE  52          2HG1      ILE  52   6.237   7.869   8.509
  411   2HG1  ILE  52          1HG1      ILE  52   6.873   7.172   6.989
  412   1HG2  ILE  52          3HG2      ILE  52   5.796   4.627   9.703
  413   2HG2  ILE  52          2HG2      ILE  52   6.753   6.084   9.731
  414   3HG2  ILE  52          1HG2      ILE  52   5.034   6.137  10.140
  415   1HD1  ILE  52          3HD1      ILE  52   4.121   7.360   6.563
  416   2HD1  ILE  52          2HD1      ILE  52   4.539   8.847   7.369
  417   3HD1  ILE  52          1HD1      ILE  52   5.339   8.398   5.862
  418    H    ALA  53           H        ALA  53   4.531   3.296   5.679
  419    HA   ALA  53           HA       ALA  53   5.038   4.818   3.142
  420   1HB   ALA  53          1HB       ALA  53   4.716   1.983   3.927
  421   2HB   ALA  53          3HB       ALA  53   4.068   2.469   2.372
  422   3HB   ALA  53          2HB       ALA  53   5.777   2.714   2.709
  423    H    PHE  54           H        PHE  54   3.386   6.010   2.592
  424    HA   PHE  54           HA       PHE  54   0.646   5.059   2.816
  425   1HB   PHE  54          2HB       PHE  54   1.277   7.322   3.973
  426   2HB   PHE  54          1HB       PHE  54   1.332   7.958   2.320
  427    HD1  PHE  54           HD1      PHE  54  -0.620   7.457   0.798
  428    HD2  PHE  54           HD2      PHE  54  -0.792   7.461   5.074
  429    HE1  PHE  54           HE1      PHE  54  -3.138   7.877   0.732
  430    HE2  PHE  54           HE2      PHE  54  -3.204   7.854   5.038
  431    HZ   PHE  54           HZ       PHE  54  -4.375   8.069   2.851
  432    H    VAL  55           H        VAL  55   0.253   4.072   1.047
  433    HA   VAL  55           HA       VAL  55   1.084   5.234  -1.593
  434    HB   VAL  55           HB       VAL  55   0.658   2.481  -0.495
  435   1HG1  VAL  55          2HG1      VAL  55   0.838   3.594  -3.270
  436   2HG1  VAL  55          1HG1      VAL  55   1.549   1.985  -2.971
  437   3HG1  VAL  55          3HG1      VAL  55  -0.195   2.284  -2.677
  438   1HG2  VAL  55          2HG2      VAL  55   2.831   4.093  -0.323
  439   2HG2  VAL  55          1HG2      VAL  55   3.011   2.363  -0.550
  440   3HG2  VAL  55          3HG2      VAL  55   3.077   3.464  -1.944
  441    H    GLU  56           H        GLU  56  -0.549   6.186  -2.416
  442    HA   GLU  56           HA       GLU  56  -3.281   5.145  -2.521
  443   1HB   GLU  56          2HB       GLU  56  -3.051   7.495  -1.723
  444   2HB   GLU  56          1HB       GLU  56  -2.046   7.840  -3.118
  445   1HG   GLU  56          2HG       GLU  56  -4.119   7.114  -4.542
  446   2HG   GLU  56          1HG       GLU  56  -4.985   7.229  -3.004
  447    H    PHE  57           H        PHE  57  -3.532   3.907  -4.227
  448    HA   PHE  57           HA       PHE  57  -2.057   4.215  -6.812
  449   1HB   PHE  57          2HB       PHE  57  -3.453   1.952  -5.314
  450   2HB   PHE  57          1HB       PHE  57  -3.122   1.904  -7.049
  451    HD1  PHE  57           HD2      PHE  57  -0.538   1.984  -7.843
  452    HD2  PHE  57           HD1      PHE  57  -1.905   1.192  -3.816
  453    HE1  PHE  57           HE2      PHE  57   1.614   0.887  -7.266
  454    HE2  PHE  57           HE1      PHE  57   0.197   0.140  -3.302
  455    HZ   PHE  57           HZ       PHE  57   1.953  -0.015  -5.051
  456    H    ASP  58           H        ASP  58  -3.333   5.192  -8.209
  457    HA   ASP  58           HA       ASP  58  -5.784   6.003  -8.388
  458   1HB   ASP  58          2HB       ASP  58  -3.928   5.622 -10.178
  459   2HB   ASP  58          1HB       ASP  58  -4.800   4.152 -10.571
  460    H    ASN  59           H        ASN  59  -5.040   2.435  -8.476
  461    HA   ASN  59           HA       ASN  59  -7.876   2.049  -7.885
  462   1HB   ASN  59          2HB       ASN  59  -8.362   0.479  -9.542
  463   2HB   ASN  59          1HB       ASN  59  -7.599   1.843 -10.392
  464   1HD2  ASN  59          2HD2      ASN  59  -6.041  -1.262 -11.670
  465   2HD2  ASN  59          1HD2      ASN  59  -7.595  -0.580 -11.719
  466    H    GLU  60           H        GLU  60  -8.482   0.083  -7.093
  467    HA   GLU  60           HA       GLU  60  -6.549  -0.947  -5.188
  468   1HB   GLU  60          2HB       GLU  60  -8.918  -2.590  -5.294
  469   2HB   GLU  60          1HB       GLU  60  -8.403  -1.463  -4.007
  470   1HG   GLU  60          2HG       GLU  60 -10.521  -0.672  -4.555
  471   2HG   GLU  60          1HG       GLU  60  -9.465   0.411  -5.462
  472    H    VAL  61           H        VAL  61  -7.469  -1.934  -8.406
  473    HA   VAL  61           HA       VAL  61  -6.812  -4.747  -8.209
  474    HB   VAL  61           HB       VAL  61  -6.525  -2.823 -10.566
  475   1HG1  VAL  61          2HG1      VAL  61  -6.884  -5.828 -10.455
  476   2HG1  VAL  61          1HG1      VAL  61  -6.808  -4.876 -11.945
  477   3HG1  VAL  61          3HG1      VAL  61  -5.384  -4.998 -10.915
  478   1HG2  VAL  61          2HG2      VAL  61  -8.866  -4.087  -9.241
  479   2HG2  VAL  61          1HG2      VAL  61  -8.776  -2.672 -10.268
  480   3HG2  VAL  61          3HG2      VAL  61  -8.781  -4.276 -11.002
  481    H    GLN  62           H        GLN  62  -5.139  -1.825  -9.142
  482    HA   GLN  62           HA       GLN  62  -2.484  -3.131  -9.194
  483   1HB   GLN  62          2HB       GLN  62  -1.560  -1.351 -10.033
  484   2HB   GLN  62          1HB       GLN  62  -3.124  -0.946 -10.625
  485   1HG   GLN  62          2HG       GLN  62  -3.306   0.190  -8.106
  486   2HG   GLN  62          1HG       GLN  62  -1.607   0.195  -8.344
  487   1HE2  GLN  62          1HE2      GLN  62  -1.518   2.678 -10.815
  488   2HE2  GLN  62          2HE2      GLN  62  -0.700   1.361 -10.135
  489    H    ALA  63           H        ALA  63  -4.370  -1.304  -6.776
  490    HA   ALA  63           HA       ALA  63  -2.048  -0.929  -5.199
  491   1HB   ALA  63          3HB       ALA  63  -4.396   0.291  -5.042
  492   2HB   ALA  63          2HB       ALA  63  -4.882  -1.150  -4.116
  493   3HB   ALA  63          1HB       ALA  63  -3.617  -0.081  -3.503
  494    H    GLY  64           H        GLY  64  -4.458  -3.285  -5.664
  495   1HA   GLY  64          2HA       GLY  64  -3.868  -4.993  -3.495
  496   2HA   GLY  64          1HA       GLY  64  -4.832  -5.391  -4.964
  497    H    ALA  65           H        ALA  65  -2.921  -4.594  -6.828
  498    HA   ALA  65           HA       ALA  65  -1.358  -6.951  -7.323
  499   1HB   ALA  65          2HB       ALA  65  -2.111  -5.204  -9.041
  500   2HB   ALA  65          1HB       ALA  65  -0.801  -4.198  -8.417
  501   3HB   ALA  65          3HB       ALA  65  -0.475  -5.805  -9.141
  502    H    ALA  66           H        ALA  66  -0.290  -3.704  -6.427
  503    HA   ALA  66           HA       ALA  66   2.435  -4.188  -5.731
  504   1HB   ALA  66          1HB       ALA  66   0.291  -2.127  -4.940
  505   2HB   ALA  66          3HB       ALA  66   1.818  -2.118  -4.136
  506   3HB   ALA  66          2HB       ALA  66   1.740  -1.832  -5.875
  507    H    ARG  67           H        ARG  67  -0.384  -4.055  -3.661
  508    HA   ARG  67           HA       ARG  67   0.901  -4.653  -1.238
  509   1HB   ARG  67          2HB       ARG  67  -1.492  -3.866  -1.741
  510   2HB   ARG  67          1HB       ARG  67  -1.930  -5.525  -2.044
  511   1HG   ARG  67          2HG       ARG  67  -1.810  -4.031   0.391
  512   2HG   ARG  67          1HG       ARG  67  -2.306  -5.737   0.207
  513   1HD   ARG  67          2HD       ARG  67   0.501  -5.860   0.294
  514   2HD   ARG  67          1HD       ARG  67   0.066  -4.573   1.418
  515    HE   ARG  67           HE       ARG  67  -0.968  -7.399   1.520
  516   1HH1  ARG  67          1HH1      ARG  67  -2.691  -5.439   2.855
  517   2HH1  ARG  67          2HH1      ARG  67  -2.098  -5.423   4.509
  518   1HH2  ARG  67          1HH2      ARG  67   0.897  -6.943   3.578
  519   2HH2  ARG  67          2HH2      ARG  67  -0.063  -6.281   4.893
  520    H    ASP  68           H        ASP  68  -0.901  -6.939  -3.302
  521    HA   ASP  68           HA       ASP  68  -0.094  -9.266  -1.957
  522   1HB   ASP  68          2HB       ASP  68  -1.709  -8.799  -4.226
  523   2HB   ASP  68          1HB       ASP  68  -0.459  -9.895  -4.735
  524    H    ALA  69           H        ALA  69   1.691  -7.484  -4.524
  525    HA   ALA  69           HA       ALA  69   3.530  -9.677  -5.062
  526   1HB   ALA  69          2HB       ALA  69   2.923  -7.541  -6.487
  527   2HB   ALA  69          1HB       ALA  69   4.238  -6.801  -5.576
  528   3HB   ALA  69          3HB       ALA  69   4.581  -8.206  -6.553
  529    H    LEU  70           H        LEU  70   3.550  -6.738  -2.975
  530    HA   LEU  70           HA       LEU  70   5.911  -8.015  -1.580
  531   1HB   LEU  70          2HB       LEU  70   6.611  -5.694  -0.900
  532   2HB   LEU  70          1HB       LEU  70   6.605  -5.927  -2.650
  533    HG   LEU  70           HG       LEU  70   4.076  -4.949  -1.618
  534   1HD1  LEU  70          1HD1      LEU  70   6.550  -3.509  -0.985
  535   2HD1  LEU  70          3HD1      LEU  70   5.279  -2.577  -1.817
  536   3HD1  LEU  70          2HD1      LEU  70   4.907  -3.347  -0.300
  537   1HD2  LEU  70          3HD2      LEU  70   4.788  -5.159  -4.044
  538   2HD2  LEU  70          2HD2      LEU  70   4.263  -3.561  -3.624
  539   3HD2  LEU  70          1HD2      LEU  70   6.000  -3.893  -3.768
  540    H    GLN  71           H        GLN  71   3.465  -8.870  -1.057
  541    HA   GLN  71           HA       GLN  71   2.265  -7.478   1.168
  542   1HB   GLN  71          2HB       GLN  71   0.470  -8.691   0.590
  543   2HB   GLN  71          1HB       GLN  71   1.438  -9.250  -0.809
  544   1HG   GLN  71          2HG       GLN  71   0.906 -11.268  -0.104
  545   2HG   GLN  71          1HG       GLN  71   2.290 -11.082   0.938
  546   1HE2  GLN  71          2HE2      GLN  71  -0.041 -11.842   3.559
  547   2HE2  GLN  71          1HE2      GLN  71   1.365 -12.302   2.751
  548    H    GLY  72           H        GLY  72   5.053  -8.795   1.303
  549   1HA   GLY  72          2HA       GLY  72   4.833  -9.482   4.070
  550   2HA   GLY  72          1HA       GLY  72   5.131 -10.923   3.076
  551    H    PHE  73           H        PHE  73   6.277  -7.574   2.686
  552    HA   PHE  73           HA       PHE  73   8.933  -8.327   1.921
  553   1HB   PHE  73          2HB       PHE  73   7.544  -6.065   1.635
  554   2HB   PHE  73          1HB       PHE  73   8.418  -5.626   3.077
  555    HD1  PHE  73           HD1      PHE  73  11.007  -6.790   2.958
  556    HD2  PHE  73           HD2      PHE  73   8.640  -5.342  -0.322
  557    HE1  PHE  73           HE1      PHE  73  13.046  -6.471   1.666
  558    HE2  PHE  73           HE2      PHE  73  10.694  -5.009  -1.628
  559    HZ   PHE  73           HZ       PHE  73  12.921  -5.567  -0.674
  560    H    LYS  74           H        LYS  74   9.336  -9.890   3.533
  561    HA   LYS  74           HA       LYS  74   9.555  -9.351   6.337
  562   1HB   LYS  74          2HB       LYS  74  11.043 -11.408   6.342
  563   2HB   LYS  74          1HB       LYS  74   9.393 -11.649   5.801
  564   1HG   LYS  74          2HG       LYS  74  10.162 -12.175   3.661
  565   2HG   LYS  74          1HG       LYS  74  11.246 -10.785   3.624
  566   1HD   LYS  74          2HD       LYS  74  12.996 -12.033   4.104
  567   2HD   LYS  74          1HD       LYS  74  12.243 -12.733   5.533
  568   1HE   LYS  74          2HE       LYS  74  11.173 -14.418   4.216
  569   2HE   LYS  74          1HE       LYS  74  11.648 -13.615   2.693
  570   1HZ   LYS  74          3HZ       LYS  74  13.597 -14.627   4.707
  571   2HZ   LYS  74          2HZ       LYS  74  13.102 -15.520   3.371
  572   3HZ   LYS  74          1HZ       LYS  74  13.933 -14.068   3.122
  573    H    ILE  75           H        ILE  75  10.679  -7.399   6.456
  574    HA   ILE  75           HA       ILE  75  13.153  -6.718   5.429
  575    HB   ILE  75           HB       ILE  75  12.187  -6.234   8.302
  576   1HG1  ILE  75          2HG1      ILE  75  11.702  -4.702   5.689
  577   2HG1  ILE  75          1HG1      ILE  75  10.454  -5.510   6.627
  578   1HG2  ILE  75          2HG2      ILE  75  14.525  -5.481   6.857
  579   2HG2  ILE  75          1HG2      ILE  75  13.538  -4.042   7.002
  580   3HG2  ILE  75          3HG2      ILE  75  14.000  -4.940   8.483
  581   1HD1  ILE  75          3HD1      ILE  75  12.064  -3.492   8.124
  582   2HD1  ILE  75          2HD1      ILE  75  10.902  -2.958   6.935
  583   3HD1  ILE  75          1HD1      ILE  75  10.389  -4.021   8.286
  584    H    THR  76           H        THR  76  12.402  -8.730   8.132
  585    HA   THR  76           HA       THR  76  15.237  -9.613   8.148
  586    HB   THR  76           HB       THR  76  13.781  -9.567  10.777
  587    HG1  THR  76          1HG       THR  76  14.613  -7.405  11.114
  588   1HG2  THR  76          1HG2      THR  76  16.457  -9.947   9.801
  589   2HG2  THR  76          3HG2      THR  76  16.417  -8.840  11.177
  590   3HG2  THR  76          2HG2      THR  76  15.762 -10.449  11.355
  591    H    GLN  77           H        GLN  77  12.010 -10.376   9.117
  592    HA   GLN  77           HA       GLN  77  11.334 -12.671   8.032
  593   1HB   GLN  77          2HB       GLN  77  13.486 -13.230  10.030
  594   2HB   GLN  77          1HB       GLN  77  12.054 -14.280  10.106
  595   1HG   GLN  77          2HG       GLN  77  12.561 -14.156   7.364
  596   2HG   GLN  77          1HG       GLN  77  14.179 -14.240   8.053
  597   1HE2  GLN  77          2HE2      GLN  77  11.973 -17.570   7.950
  598   2HE2  GLN  77          1HE2      GLN  77  11.607 -16.123   7.109
  599    H    ASN  78           H        ASN  78  11.925 -11.317  11.157
  600    HA   ASN  78           HA       ASN  78   9.227 -11.950  12.146
  601   1HB   ASN  78          2HB       ASN  78  11.602 -10.480  13.454
  602   2HB   ASN  78          1HB       ASN  78  10.102 -10.899  14.231
  603   1HD2  ASN  78          1HD2      ASN  78  11.509 -14.531  13.496
  604   2HD2  ASN  78          2HD2      ASN  78  10.498 -13.706  12.451
  605    H    ASN  79           H        ASN  79  11.419  -9.407  11.184
  606    HA   ASN  79           HA       ASN  79   9.493  -7.213  11.404
  607   1HB   ASN  79          2HB       ASN  79  12.169  -7.158  10.025
  608   2HB   ASN  79          1HB       ASN  79  11.274  -5.787  10.731
  609   1HD2  ASN  79          2HD2      ASN  79  12.813  -6.097  13.814
  610   2HD2  ASN  79          1HD2      ASN  79  11.950  -5.119  12.726
  611    H    ALA  80           H        ALA  80   7.891  -7.481   9.949
  612    HA   ALA  80           HA       ALA  80   8.473  -7.957   7.068
  613   1HB   ALA  80          3HB       ALA  80   7.521  -9.973   8.111
  614   2HB   ALA  80          2HB       ALA  80   6.098  -9.032   8.583
  615   3HB   ALA  80          1HB       ALA  80   6.471  -9.292   6.885
  616    H    MET  81           H        MET  81   7.884  -6.165   6.037
  617    HA   MET  81           HA       MET  81   6.800  -3.803   6.824
  618   1HB   MET  81          2HB       MET  81   7.340  -3.628   4.620
  619   2HB   MET  81          1HB       MET  81   6.990  -5.360   4.329
  620   1HG   MET  81          2HG       MET  81   4.606  -4.876   4.144
  621   2HG   MET  81          1HG       MET  81   4.939  -3.147   4.399
  622   1HE   MET  81          2HE       MET  81   7.389  -2.373   3.131
  623   2HE   MET  81          1HE       MET  81   6.993  -2.049   1.460
  624   3HE   MET  81          3HE       MET  81   5.898  -1.557   2.770
  625    H    LYS  82           H        LYS  82   4.851  -2.761   7.097
  626    HA   LYS  82           HA       LYS  82   2.396  -4.410   6.888
  627   1HB   LYS  82          2HB       LYS  82   3.344  -2.861   9.298
  628   2HB   LYS  82          1HB       LYS  82   1.634  -3.060   8.910
  629   1HG   LYS  82          2HG       LYS  82   2.594  -5.619   8.626
  630   2HG   LYS  82          1HG       LYS  82   3.726  -4.949   9.808
  631   1HD   LYS  82          2HD       LYS  82   2.103  -5.756  11.203
  632   2HD   LYS  82          1HD       LYS  82   1.438  -4.135  10.959
  633   1HE   LYS  82          2HE       LYS  82   0.475  -5.558   8.750
  634   2HE   LYS  82          1HE       LYS  82   0.480  -6.793   9.982
  635   1HZ   LYS  82          2HZ       LYS  82  -0.662  -5.166  11.499
  636   2HZ   LYS  82          1HZ       LYS  82  -0.869  -4.154  10.160
  637   3HZ   LYS  82          3HZ       LYS  82  -1.555  -5.731  10.172
  638    H    ILE  83           H        ILE  83   1.205  -3.572   5.508
  639    HA   ILE  83           HA       ILE  83   0.924  -0.701   4.825
  640    HB   ILE  83           HB       ILE  83   0.938  -3.006   2.911
  641   1HG1  ILE  83          2HG1      ILE  83   2.832  -0.675   3.430
  642   2HG1  ILE  83          1HG1      ILE  83   3.209  -2.354   3.809
  643   1HG2  ILE  83          2HG2      ILE  83  -0.287  -0.440   2.802
  644   2HG2  ILE  83          1HG2      ILE  83   1.207  -0.273   1.893
  645   3HG2  ILE  83          3HG2      ILE  83  -0.001  -1.463   1.425
  646   1HD1  ILE  83          1HD1      ILE  83   2.590  -1.261   1.022
  647   2HD1  ILE  83          3HD1      ILE  83   4.179  -1.622   1.667
  648   3HD1  ILE  83          2HD1      ILE  83   2.996  -2.936   1.421
  649    H    SER  84           H        SER  84  -1.120  -0.277   5.562
  650    HA   SER  84           HA       SER  84  -3.177  -2.360   5.648
  651   1HB   SER  84          2HB       SER  84  -2.718  -1.399   7.880
  652   2HB   SER  84          1HB       SER  84  -3.100   0.217   7.268
  653    HG   SER  84           HG       SER  84  -4.789  -1.999   7.088
  654    H    PHE  85           H        PHE  85  -4.297  -2.108   3.771
  655    HA   PHE  85           HA       PHE  85  -4.810   0.037   2.154
  656   1HB   PHE  85          2HB       PHE  85  -7.309  -1.387   2.622
  657   2HB   PHE  85          1HB       PHE  85  -6.262  -1.329   1.174
  658    HD1  PHE  85           HD2      PHE  85  -6.705  -2.932   4.453
  659    HD2  PHE  85           HD1      PHE  85  -5.081  -3.180   0.536
  660    HE1  PHE  85           HE2      PHE  85  -6.093  -5.372   4.875
  661    HE2  PHE  85           HE1      PHE  85  -4.472  -5.593   0.936
  662    HZ   PHE  85           HZ       PHE  85  -4.981  -6.669   3.091
  663    H    ALA  86           H        ALA  86  -6.659   1.543   2.172
  664    HA   ALA  86           HA       ALA  86  -7.285   2.574   4.804
  665   1HB   ALA  86          3HB       ALA  86  -7.324   3.545   2.015
  666   2HB   ALA  86          2HB       ALA  86  -8.471   4.316   3.094
  667   3HB   ALA  86          1HB       ALA  86  -6.748   4.269   3.495
  668    H    LYS  87           H        LYS  87  -8.828   0.341   2.839
  669    HA   LYS  87           HA       LYS  87 -11.377   0.881   4.255
  670   1HB   LYS  87          2HB       LYS  87 -11.380   0.493   1.240
  671   2HB   LYS  87          1HB       LYS  87 -12.778   0.621   2.297
  672   1HG   LYS  87          2HG       LYS  87 -10.774   2.885   2.295
  673   2HG   LYS  87          1HG       LYS  87 -11.931   2.714   1.014
  674   1HD   LYS  87          2HD       LYS  87 -13.798   2.653   2.594
  675   2HD   LYS  87          1HD       LYS  87 -12.687   2.893   3.957
  676   1HE   LYS  87          2HE       LYS  87 -13.445   5.072   3.462
  677   2HE   LYS  87          1HE       LYS  87 -11.952   4.973   2.479
  678   1HZ   LYS  87          1HZ       LYS  87 -14.560   4.166   1.377
  679   2HZ   LYS  87          3HZ       LYS  87 -14.040   5.785   1.383
  680   3HZ   LYS  87          2HZ       LYS  87 -13.129   4.585   0.567
  681    H    LYS  88           H        LYS  88  -9.094  -1.174   4.067
  682    HA   LYS  88           HA       LYS  88  -8.747  -3.385   4.069
  683   1HB   LYS  88          2HB       LYS  88 -11.014  -4.654   5.024
  684   2HB   LYS  88          1HB       LYS  88  -9.806  -3.776   5.996
  685   1HG   LYS  88          2HG       LYS  88 -11.319  -1.730   5.700
  686   2HG   LYS  88          1HG       LYS  88 -12.497  -2.893   5.051
  687   1HD   LYS  88          2HD       LYS  88 -11.368  -3.828   7.543
  688   2HD   LYS  88          1HD       LYS  88 -11.982  -2.170   7.705
  689   1HE   LYS  88          2HE       LYS  88 -13.792  -3.854   6.132
  690   2HE   LYS  88          1HE       LYS  88 -13.564  -4.441   7.771
  691   1HZ   LYS  88          3HZ       LYS  88 -13.960  -1.550   7.427
  692   2HZ   LYS  88          2HZ       LYS  88 -15.276  -2.528   7.056
  693   3HZ   LYS  88          1HZ       LYS  88 -14.558  -2.595   8.615
   
  No H/Q in entry =         693
  Start of MODEL   18
    1   1H    MET   1          3H        MET   1 -11.076  -2.095  15.375
    2   2H    MET   1          2H        MET   1 -10.045  -3.398  15.130
    3   3H    MET   1          1H        MET   1  -9.424  -1.793  15.105
    4    HA   MET   1           HA       MET   1 -10.281  -1.332  13.037
    5   1HB   MET   1          2HB       MET   1  -9.924  -4.374  13.167
    6   2HB   MET   1          1HB       MET   1 -10.093  -3.464  11.674
    7   1HG   MET   1          2HG       MET   1  -7.990  -2.648  11.676
    8   2HG   MET   1          1HG       MET   1  -8.037  -2.350  13.404
    9   1HE   MET   1          2HE       MET   1  -7.258  -4.289  10.569
   10   2HE   MET   1          1HE       MET   1  -5.633  -4.276  11.276
   11   3HE   MET   1          3HE       MET   1  -6.516  -5.791  11.035
   12    H    ALA   2           H        ALA   2 -12.086  -1.000  11.900
   13    HA   ALA   2           HA       ALA   2 -14.571  -1.922  12.921
   14   1HB   ALA   2          3HB       ALA   2 -13.777  -0.410  10.508
   15   2HB   ALA   2          2HB       ALA   2 -15.444  -1.043  10.654
   16   3HB   ALA   2          1HB       ALA   2 -14.786   0.060  11.880
   17    HA   PRO   3           HA       PRO   3 -14.436  -4.253   8.368
   18   1HB   PRO   3          2HB       PRO   3 -11.597  -5.090   9.093
   19   2HB   PRO   3          1HB       PRO   3 -12.434  -5.017   7.502
   20   1HG   PRO   3          2HG       PRO   3 -10.890  -2.892   8.565
   21   2HG   PRO   3          1HG       PRO   3 -12.158  -2.715   7.327
   22   1HD   PRO   3          2HD       PRO   3 -12.073  -1.874  10.079
   23   2HD   PRO   3          1HD       PRO   3 -13.376  -1.613   8.894
   24    H    ALA   4           H        ALA   4 -15.969  -5.564   9.672
   25    HA   ALA   4           HA       ALA   4 -14.714  -8.144  10.228
   26   1HB   ALA   4          2HB       ALA   4 -16.017  -6.453  12.402
   27   2HB   ALA   4          1HB       ALA   4 -15.961  -8.192  12.538
   28   3HB   ALA   4          3HB       ALA   4 -14.441  -7.250  12.437
   29    H    GLN   5           H        GLN   5 -16.355  -7.688   8.193
   30    HA   GLN   5           HA       GLN   5 -18.871  -9.025   8.948
   31   1HB   GLN   5          2HB       GLN   5 -18.680  -6.209   8.320
   32   2HB   GLN   5          1HB       GLN   5 -19.511  -6.992   6.985
   33   1HG   GLN   5          2HG       GLN   5 -21.193  -6.337   8.540
   34   2HG   GLN   5          1HG       GLN   5 -21.109  -8.084   8.622
   35   1HE2  GLN   5          2HE2      GLN   5 -19.815  -5.755  11.765
   36   2HE2  GLN   5          1HE2      GLN   5 -19.859  -5.104  10.209
   37    HA   PRO   6           HA       PRO   6 -18.229 -11.072   5.063
   38   1HB   PRO   6          2HB       PRO   6 -21.072 -11.245   4.523
   39   2HB   PRO   6          1HB       PRO   6 -19.955 -12.536   4.990
   40   1HG   PRO   6          2HG       PRO   6 -21.924 -11.661   6.710
   41   2HG   PRO   6          1HG       PRO   6 -20.394 -12.236   7.325
   42   1HD   PRO   6          2HD       PRO   6 -21.215  -9.371   6.910
   43   2HD   PRO   6          1HD       PRO   6 -20.345 -10.081   8.268
   44    H    LEU   7           H        LEU   7 -17.786 -10.298   3.162
   45    HA   LEU   7           HA       LEU   7 -17.709  -8.910   1.280
   46   1HB   LEU   7          2HB       LEU   7 -20.227  -9.768   1.346
   47   2HB   LEU   7          1HB       LEU   7 -20.582  -8.093   1.748
   48    HG   LEU   7           HG       LEU   7 -19.151  -7.412  -0.268
   49   1HD1  LEU   7          3HD1      LEU   7 -18.340  -9.958  -0.394
   50   2HD1  LEU   7          2HD1      LEU   7 -19.748 -10.137  -1.403
   51   3HD1  LEU   7          1HD1      LEU   7 -18.444  -9.001  -1.847
   52   1HD2  LEU   7          2HD2      LEU   7 -21.785  -7.851  -0.080
   53   2HD2  LEU   7          1HD2      LEU   7 -21.040  -7.233  -1.530
   54   3HD2  LEU   7          3HD2      LEU   7 -21.436  -8.963  -1.377
   55    H    SER   8           H        SER   8 -16.355  -7.495   2.909
   56    HA   SER   8           HA       SER   8 -17.753  -5.171   3.869
   57   1HB   SER   8          2HB       SER   8 -14.979  -6.133   4.064
   58   2HB   SER   8          1HB       SER   8 -15.045  -4.425   3.694
   59    HG   SER   8           HG       SER   8 -16.866  -5.178   5.560
   60    H    GLU   9           H        GLU   9 -16.757  -6.214   0.874
   61    HA   GLU   9           HA       GLU   9 -16.801  -5.308  -1.243
   62   1HB   GLU   9          2HB       GLU   9 -17.712  -2.708   0.101
   63   2HB   GLU   9          1HB       GLU   9 -17.728  -3.081  -1.633
   64   1HG   GLU   9          2HG       GLU   9 -19.303  -4.805  -1.361
   65   2HG   GLU   9          1HG       GLU   9 -19.224  -4.675   0.422
   66    H    ASN  10           H        ASN  10 -15.848  -2.268   0.236
   67    HA   ASN  10           HA       ASN  10 -13.922  -1.034   0.032
   68   1HB   ASN  10          2HB       ASN  10 -13.311  -2.387   1.931
   69   2HB   ASN  10          1HB       ASN  10 -12.719  -3.706   0.872
   70   1HD2  ASN  10          2HD2      ASN  10 -10.430  -0.473   0.101
   71   2HD2  ASN  10          1HD2      ASN  10 -12.036  -0.460  -0.358
   72    HA   PRO  11           HA       PRO  11 -13.623  -2.811  -4.325
   73   1HB   PRO  11          2HB       PRO  11 -13.629   0.113  -4.769
   74   2HB   PRO  11          1HB       PRO  11 -14.509  -1.172  -5.612
   75   1HG   PRO  11          2HG       PRO  11 -15.752   0.548  -3.812
   76   2HG   PRO  11          1HG       PRO  11 -16.270  -1.163  -4.009
   77   1HD   PRO  11          2HD       PRO  11 -14.652   0.030  -1.831
   78   2HD   PRO  11          1HD       PRO  11 -15.741  -1.349  -1.809
   79    HA   PRO  12           HA       PRO  12  -9.245  -2.178  -4.424
   80   1HB   PRO  12          2HB       PRO  12  -8.808  -2.425  -7.126
   81   2HB   PRO  12          1HB       PRO  12  -9.126  -3.832  -6.098
   82   1HG   PRO  12          2HG       PRO  12 -11.115  -2.306  -7.840
   83   2HG   PRO  12          1HG       PRO  12 -10.939  -4.059  -7.618
   84   1HD   PRO  12          2HD       PRO  12 -12.844  -2.587  -6.357
   85   2HD   PRO  12          1HD       PRO  12 -12.028  -3.978  -5.561
   86    H    ASN  13           H        ASN  13  -9.223   0.030  -3.808
   87    HA   ASN  13           HA       ASN  13  -9.684   2.124  -5.770
   88   1HB   ASN  13          2HB       ASN  13  -8.472   2.105  -3.019
   89   2HB   ASN  13          1HB       ASN  13  -8.643   3.577  -3.916
   90   1HD2  ASN  13          1HD2      ASN  13 -11.850   2.162  -2.021
   91   2HD2  ASN  13          2HD2      ASN  13 -10.288   1.670  -1.660
   92    H    HIS  14           H        HIS  14  -8.023   3.810  -6.093
   93    HA   HIS  14           HA       HIS  14  -5.526   2.595  -7.110
   94   1HB   HIS  14          2HB       HIS  14  -5.574   5.166  -8.126
   95   2HB   HIS  14          1HB       HIS  14  -6.035   3.671  -8.950
   96    HD1  HIS  14           HD1      HIS  14  -8.324   3.839  -9.951
   97    HD2  HIS  14           HD2      HIS  14  -8.007   6.264  -6.600
   98    HE1  HIS  14           HE1      HIS  14 -10.527   5.081  -9.670
   99    HE2  HIS  14           HE2      HIS  14 -10.409   6.578  -7.629
  100    H    ILE  15           H        ILE  15  -6.189   3.523  -4.273
  101    HA   ILE  15           HA       ILE  15  -3.843   5.239  -3.811
  102    HB   ILE  15           HB       ILE  15  -6.598   6.187  -3.200
  103   1HG1  ILE  15          2HG1      ILE  15  -3.929   7.533  -3.791
  104   2HG1  ILE  15          1HG1      ILE  15  -5.141   7.091  -4.971
  105   1HG2  ILE  15          1HG2      ILE  15  -4.093   6.703  -1.557
  106   2HG2  ILE  15          3HG2      ILE  15  -5.568   7.585  -1.332
  107   3HG2  ILE  15          2HG2      ILE  15  -5.538   5.853  -0.950
  108   1HD1  ILE  15          2HD1      ILE  15  -6.282   8.632  -2.790
  109   2HD1  ILE  15          1HD1      ILE  15  -4.954   9.510  -3.510
  110   3HD1  ILE  15          3HD1      ILE  15  -6.291   8.953  -4.552
  111    H    LEU  16           H        LEU  16  -2.730   3.935  -2.418
  112    HA   LEU  16           HA       LEU  16  -4.228   2.444  -0.314
  113   1HB   LEU  16          2HB       LEU  16  -1.781   1.845  -2.011
  114   2HB   LEU  16          1HB       LEU  16  -2.250   0.786  -0.659
  115    HG   LEU  16           HG       LEU  16  -4.584   1.085  -2.183
  116   1HD1  LEU  16          2HD1      LEU  16  -2.444   1.876  -3.820
  117   2HD1  LEU  16          1HD1      LEU  16  -2.731   0.207  -4.284
  118   3HD1  LEU  16          3HD1      LEU  16  -4.062   1.354  -4.367
  119   1HD2  LEU  16          1HD2      LEU  16  -2.474  -0.867  -1.593
  120   2HD2  LEU  16          3HD2      LEU  16  -4.194  -1.104  -1.489
  121   3HD2  LEU  16          2HD2      LEU  16  -3.346  -1.234  -3.064
  122    H    PHE  17           H        PHE  17  -3.959   3.394   1.463
  123    HA   PHE  17           HA       PHE  17  -1.414   4.574   2.305
  124   1HB   PHE  17          2HB       PHE  17  -2.702   6.472   2.138
  125   2HB   PHE  17          1HB       PHE  17  -4.181   5.634   2.639
  126    HD1  PHE  17           HD1      PHE  17  -0.643   6.081   4.013
  127    HD2  PHE  17           HD2      PHE  17  -4.848   6.112   4.848
  128    HE1  PHE  17           HE1      PHE  17  -0.158   6.620   6.377
  129    HE2  PHE  17           HE2      PHE  17  -4.349   6.657   7.235
  130    HZ   PHE  17           HZ       PHE  17  -2.052   6.901   7.987
  131    H    LEU  18           H        LEU  18  -0.715   3.840   4.114
  132    HA   LEU  18           HA       LEU  18  -1.908   3.142   6.369
  133   1HB   LEU  18          2HB       LEU  18  -3.267   1.450   5.140
  134   2HB   LEU  18          1HB       LEU  18  -1.928   0.394   5.244
  135    HG   LEU  18           HG       LEU  18  -2.159   1.498   7.829
  136   1HD1  LEU  18          3HD1      LEU  18  -4.227   2.559   6.496
  137   2HD1  LEU  18          2HD1      LEU  18  -4.994   1.191   7.283
  138   3HD1  LEU  18          1HD1      LEU  18  -4.078   2.396   8.217
  139   1HD2  LEU  18          2HD2      LEU  18  -2.746  -1.088   6.714
  140   2HD2  LEU  18          1HD2      LEU  18  -2.811  -0.617   8.430
  141   3HD2  LEU  18          3HD2      LEU  18  -4.235  -0.529   7.399
  142    H    THR  19           H        THR  19  -0.471   0.987   7.148
  143    HA   THR  19           HA       THR  19   2.297   1.976   6.904
  144    HB   THR  19           HB       THR  19   2.408   2.502   9.287
  145    HG1  THR  19          1HG       THR  19   0.776   1.913  10.636
  146   1HG2  THR  19          3HG2      THR  19   0.514   3.926   7.715
  147   2HG2  THR  19          2HG2      THR  19  -0.357   3.523   9.190
  148   3HG2  THR  19          1HG2      THR  19   1.147   4.448   9.286
  149    H    ASN  20           H        ASN  20   3.443   0.652   8.591
  150    HA   ASN  20           HA       ASN  20   3.699  -1.134   9.927
  151   1HB   ASN  20          2HB       ASN  20   1.266  -1.968   9.588
  152   2HB   ASN  20          1HB       ASN  20   1.961  -2.999   8.297
  153   1HD2  ASN  20          2HD2      ASN  20   3.805  -4.937  10.674
  154   2HD2  ASN  20          1HD2      ASN  20   3.894  -4.381   9.050
  155    H    LEU  21           H        LEU  21   4.847  -0.056   7.520
  156    HA   LEU  21           HA       LEU  21   6.459  -2.432   6.770
  157   1HB   LEU  21          2HB       LEU  21   6.583  -1.830   4.494
  158   2HB   LEU  21          1HB       LEU  21   4.865  -1.786   5.004
  159    HG   LEU  21           HG       LEU  21   6.758   0.400   4.187
  160   1HD1  LEU  21          1HD1      LEU  21   4.709  -0.844   2.954
  161   2HD1  LEU  21          3HD1      LEU  21   3.805   0.473   3.654
  162   3HD1  LEU  21          2HD1      LEU  21   5.188   0.832   2.616
  163   1HD2  LEU  21          3HD2      LEU  21   5.871   1.187   6.433
  164   2HD2  LEU  21          2HD2      LEU  21   5.254   2.121   5.111
  165   3HD2  LEU  21          1HD2      LEU  21   4.214   0.923   5.843
  166    HA   PRO  22           HA       PRO  22   9.760   0.466   7.895
  167   1HB   PRO  22          2HB       PRO  22   9.421   0.468  10.476
  168   2HB   PRO  22          1HB       PRO  22   7.878   0.716   9.600
  169   1HG   PRO  22          2HG       PRO  22   8.820  -1.858  10.836
  170   2HG   PRO  22          1HG       PRO  22   7.210  -1.132  10.806
  171   1HD   PRO  22          2HD       PRO  22   8.287  -2.884   8.764
  172   2HD   PRO  22          1HD       PRO  22   6.685  -2.149   8.889
  173    H    GLU  23           H        GLU  23  11.373  -0.121   9.898
  174    HA   GLU  23           HA       GLU  23  12.849  -1.538  10.961
  175   1HB   GLU  23          2HB       GLU  23  12.022  -3.824   9.189
  176   2HB   GLU  23          1HB       GLU  23  12.859  -3.866  10.744
  177   1HG   GLU  23          2HG       GLU  23  10.798  -2.812  11.751
  178   2HG   GLU  23          1HG       GLU  23   9.941  -3.279  10.275
  179    H    GLU  24           H        GLU  24  12.506  -1.765   7.494
  180    HA   GLU  24           HA       GLU  24  15.215  -0.828   7.075
  181   1HB   GLU  24          2HB       GLU  24  16.044  -2.819   5.972
  182   2HB   GLU  24          1HB       GLU  24  15.366  -3.341   7.541
  183   1HG   GLU  24          2HG       GLU  24  13.157  -3.596   6.138
  184   2HG   GLU  24          1HG       GLU  24  14.285  -3.793   4.786
  185    H    THR  25           H        THR  25  12.543  -0.049   6.634
  186    HA   THR  25           HA       THR  25  12.132  -0.328   3.705
  187    HB   THR  25           HB       THR  25  10.379   0.258   6.070
  188    HG1  THR  25          1HG       THR  25   9.380  -1.494   5.277
  189   1HG2  THR  25          3HG2      THR  25  10.241   1.342   3.357
  190   2HG2  THR  25          2HG2      THR  25   8.731   0.621   3.981
  191   3HG2  THR  25          1HG2      THR  25   9.495   1.983   4.822
  192    H    ASN  26           H        ASN  26  12.443   1.508   2.420
  193    HA   ASN  26           HA       ASN  26  12.474   4.130   3.835
  194   1HB   ASN  26          2HB       ASN  26  14.585   4.751   3.009
  195   2HB   ASN  26          1HB       ASN  26  14.755   3.103   3.594
  196   1HD2  ASN  26          1HD2      ASN  26  15.745   2.030   0.328
  197   2HD2  ASN  26          2HD2      ASN  26  15.678   1.591   1.987
  198    H    GLU  27           H        GLU  27  12.778   5.902   2.120
  199    HA   GLU  27           HA       GLU  27  10.412   5.935   0.452
  200   1HB   GLU  27          2HB       GLU  27  11.032   7.959   1.330
  201   2HB   GLU  27          1HB       GLU  27  12.659   7.896   0.573
  202   1HG   GLU  27          2HG       GLU  27  10.471   7.660  -1.354
  203   2HG   GLU  27          1HG       GLU  27  10.332   9.109  -0.407
  204    H    LEU  28           H        LEU  28  14.001   5.534  -0.459
  205    HA   LEU  28           HA       LEU  28  13.410   5.757  -3.234
  206   1HB   LEU  28          2HB       LEU  28  15.636   5.253  -3.687
  207   2HB   LEU  28          1HB       LEU  28  15.687   6.226  -2.252
  208    HG   LEU  28           HG       LEU  28  15.464   3.391  -1.525
  209   1HD1  LEU  28          1HD1      LEU  28  16.802   3.729  -3.917
  210   2HD1  LEU  28          3HD1      LEU  28  18.065   3.873  -2.708
  211   3HD1  LEU  28          2HD1      LEU  28  17.021   2.421  -2.729
  212   1HD2  LEU  28          1HD2      LEU  28  16.364   5.515  -0.272
  213   2HD2  LEU  28          3HD2      LEU  28  17.190   3.949  -0.066
  214   3HD2  LEU  28          2HD2      LEU  28  17.844   5.174  -1.168
  215    H    MET  29           H        MET  29  13.239   3.382  -0.786
  216    HA   MET  29           HA       MET  29  13.396   0.980  -2.304
  217   1HB   MET  29          2HB       MET  29  13.596   1.410   0.221
  218   2HB   MET  29          1HB       MET  29  11.831   1.410   0.269
  219   1HG   MET  29          2HG       MET  29  11.802  -0.866   0.122
  220   2HG   MET  29          1HG       MET  29  13.062  -0.915  -1.140
  221   1HE   MET  29          2HE       MET  29  12.731  -3.100   0.960
  222   2HE   MET  29          1HE       MET  29  13.508  -2.921   2.536
  223   3HE   MET  29          3HE       MET  29  12.039  -2.012   2.138
  224    H    LEU  30           H        LEU  30  10.750   2.714  -0.693
  225    HA   LEU  30           HA       LEU  30   8.594   1.311  -2.019
  226   1HB   LEU  30          2HB       LEU  30   8.624   3.974  -0.486
  227   2HB   LEU  30          1HB       LEU  30   7.193   3.146  -1.105
  228    HG   LEU  30           HG       LEU  30   9.003   2.378   1.147
  229   1HD1  LEU  30          2HD1      LEU  30   6.579   3.534   0.953
  230   2HD1  LEU  30          1HD1      LEU  30   6.092   1.820   1.067
  231   3HD1  LEU  30          3HD1      LEU  30   7.082   2.575   2.334
  232   1HD2  LEU  30          2HD2      LEU  30   7.201   0.480  -0.409
  233   2HD2  LEU  30          1HD2      LEU  30   8.976   0.325  -0.281
  234   3HD2  LEU  30          3HD2      LEU  30   7.982   0.106   1.135
  235    H    SER  31           H        SER  31  10.650   3.968  -2.756
  236    HA   SER  31           HA       SER  31   9.168   5.442  -4.635
  237   1HB   SER  31          2HB       SER  31  11.155   6.507  -4.146
  238   2HB   SER  31          1HB       SER  31  12.017   4.943  -4.163
  239    HG   SER  31           HG       SER  31  12.430   6.211  -6.088
  240    H    MET  32           H        MET  32  11.691   2.990  -5.021
  241    HA   MET  32           HA       MET  32  11.258   2.498  -7.857
  242   1HB   MET  32          2HB       MET  32  12.465   0.755  -5.748
  243   2HB   MET  32          1HB       MET  32  12.799   0.650  -7.458
  244   1HG   MET  32          2HG       MET  32  13.286   3.297  -6.277
  245   2HG   MET  32          1HG       MET  32  14.413   2.032  -5.769
  246   1HE   MET  32          3HE       MET  32  15.451   4.126  -6.567
  247   2HE   MET  32          2HE       MET  32  16.536   3.839  -7.887
  248   3HE   MET  32          1HE       MET  32  15.099   4.853  -8.150
  249    H    LEU  33           H        LEU  33   9.928   1.013  -4.888
  250    HA   LEU  33           HA       LEU  33   8.979  -1.445  -6.061
  251   1HB   LEU  33          2HB       LEU  33   8.812  -0.010  -3.449
  252   2HB   LEU  33          1HB       LEU  33   7.383  -0.891  -3.872
  253    HG   LEU  33           HG       LEU  33  10.109  -2.161  -4.102
  254   1HD1  LEU  33          3HD1      LEU  33   9.567  -1.228  -1.686
  255   2HD1  LEU  33          2HD1      LEU  33   8.358  -2.535  -1.661
  256   3HD1  LEU  33          1HD1      LEU  33  10.080  -2.900  -1.876
  257   1HD2  LEU  33          3HD2      LEU  33   7.609  -3.015  -4.754
  258   2HD2  LEU  33          2HD2      LEU  33   8.998  -4.049  -4.581
  259   3HD2  LEU  33          1HD2      LEU  33   7.879  -3.846  -3.219
  260    H    PHE  34           H        PHE  34   7.814   1.718  -5.233
  261    HA   PHE  34           HA       PHE  34   5.161   1.087  -6.297
  262   1HB   PHE  34          2HB       PHE  34   6.243   3.737  -5.198
  263   2HB   PHE  34          1HB       PHE  34   4.648   3.557  -5.902
  264    HD1  PHE  34           HD1      PHE  34   3.600   1.145  -5.209
  265    HD2  PHE  34           HD2      PHE  34   6.098   3.600  -2.695
  266    HE1  PHE  34           HE1      PHE  34   2.595   0.048  -3.237
  267    HE2  PHE  34           HE2      PHE  34   5.119   2.543  -0.782
  268    HZ   PHE  34           HZ       PHE  34   3.359   0.742  -0.995
  269    H    ASN  35           H        ASN  35   8.057   2.446  -7.410
  270    HA   ASN  35           HA       ASN  35   7.148   3.803  -9.747
  271   1HB   ASN  35          2HB       ASN  35   9.454   4.200  -9.034
  272   2HB   ASN  35          1HB       ASN  35   9.850   2.488  -9.146
  273   1HD2  ASN  35          2HD2      ASN  35  10.773   2.856 -12.511
  274   2HD2  ASN  35          1HD2      ASN  35  11.054   2.185 -10.993
  275    H    GLN  36           H        GLN  36   8.197   0.489  -9.070
  276    HA   GLN  36           HA       GLN  36   8.424  -0.880 -11.411
  277   1HB   GLN  36          2HB       GLN  36   6.852  -1.464  -8.904
  278   2HB   GLN  36          1HB       GLN  36   6.692  -2.572 -10.226
  279   1HG   GLN  36          2HG       GLN  36   9.441  -2.144 -10.121
  280   2HG   GLN  36          1HG       GLN  36   8.999  -2.047  -8.429
  281   1HE2  GLN  36          1HE2      GLN  36   8.022  -5.516  -8.266
  282   2HE2  GLN  36          2HE2      GLN  36   7.671  -4.008  -7.524
  283    H    PHE  37           H        PHE  37   5.475   0.537 -10.280
  284    HA   PHE  37           HA       PHE  37   3.790  -0.518 -12.385
  285   1HB   PHE  37          2HB       PHE  37   3.134   1.052  -9.885
  286   2HB   PHE  37          1HB       PHE  37   1.971   0.353 -10.947
  287    HD1  PHE  37           HD1      PHE  37   1.861  -2.226 -11.223
  288    HD2  PHE  37           HD2      PHE  37   4.732  -0.357  -8.640
  289    HE1  PHE  37           HE1      PHE  37   2.381  -4.360 -10.260
  290    HE2  PHE  37           HE2      PHE  37   5.286  -2.537  -7.637
  291    HZ   PHE  37           HZ       PHE  37   4.087  -4.580  -8.460
  292    HA   PRO  38           HA       PRO  38   4.277   3.080 -14.942
  293   1HB   PRO  38          2HB       PRO  38   1.882   2.604 -16.385
  294   2HB   PRO  38          1HB       PRO  38   3.523   2.147 -16.907
  295   1HG   PRO  38          2HG       PRO  38   1.403   0.440 -15.850
  296   2HG   PRO  38          1HG       PRO  38   2.936  -0.040 -16.643
  297   1HD   PRO  38          2HD       PRO  38   2.446  -0.336 -13.894
  298   2HD   PRO  38          1HD       PRO  38   4.018  -0.343 -14.684
  299    H    GLY  39           H        GLY  39   1.602   2.377 -12.860
  300   1HA   GLY  39          2HA       GLY  39   0.285   4.952 -13.339
  301   2HA   GLY  39          1HA       GLY  39  -0.287   3.700 -12.207
  302    H    PHE  40           H        PHE  40   2.926   4.077 -11.926
  303    HA   PHE  40           HA       PHE  40   2.995   4.775  -9.219
  304   1HB   PHE  40          2HB       PHE  40   5.000   3.951 -10.176
  305   2HB   PHE  40          1HB       PHE  40   4.831   5.058 -11.568
  306    HD1  PHE  40           HD2      PHE  40   5.099   5.120  -7.848
  307    HD2  PHE  40           HD1      PHE  40   6.421   6.800 -11.566
  308    HE1  PHE  40           HE2      PHE  40   6.624   6.626  -6.613
  309    HE2  PHE  40           HE1      PHE  40   7.968   8.326 -10.335
  310    HZ   PHE  40           HZ       PHE  40   8.080   8.249  -7.876
  311    H    LYS  41           H        LYS  41   2.018   6.620  -8.509
  312    HA   LYS  41           HA       LYS  41   2.626   9.172 -10.046
  313   1HB   LYS  41          2HB       LYS  41   0.224   8.074 -10.151
  314   2HB   LYS  41          1HB       LYS  41   0.029   8.908  -8.629
  315   1HG   LYS  41          2HG       LYS  41   1.236  10.434 -10.923
  316   2HG   LYS  41          1HG       LYS  41  -0.465  10.056 -11.017
  317   1HD   LYS  41          2HD       LYS  41  -0.778  11.025  -8.680
  318   2HD   LYS  41          1HD       LYS  41   0.946  11.411  -8.686
  319   1HE   LYS  41          2HE       LYS  41   0.679  13.245  -9.952
  320   2HE   LYS  41          1HE       LYS  41  -0.534  12.452 -10.991
  321   1HZ   LYS  41          2HZ       LYS  41  -1.631  12.715  -8.502
  322   2HZ   LYS  41          1HZ       LYS  41  -0.847  14.215  -8.779
  323   3HZ   LYS  41          3HZ       LYS  41  -2.039  13.657  -9.839
  324    H    GLU  42           H        GLU  42   1.321   8.102  -6.834
  325    HA   GLU  42           HA       GLU  42   2.853  10.302  -5.628
  326   1HB   GLU  42          2HB       GLU  42   0.140  10.529  -5.855
  327   2HB   GLU  42          1HB       GLU  42   0.299   9.590  -4.345
  328   1HG   GLU  42          2HG       GLU  42   0.356  11.908  -3.736
  329   2HG   GLU  42          1HG       GLU  42   2.041  11.403  -3.700
  330    H    VAL  43           H        VAL  43   3.850   9.786  -3.864
  331    HA   VAL  43           HA       VAL  43   3.488   7.257  -2.467
  332    HB   VAL  43           HB       VAL  43   6.199   7.271  -2.688
  333   1HG1  VAL  43          3HG1      VAL  43   4.010   5.749  -4.056
  334   2HG1  VAL  43          2HG1      VAL  43   5.713   5.334  -4.296
  335   3HG1  VAL  43          1HG1      VAL  43   4.963   5.228  -2.680
  336   1HG2  VAL  43          1HG2      VAL  43   5.862   8.970  -4.638
  337   2HG2  VAL  43          3HG2      VAL  43   6.829   7.536  -4.964
  338   3HG2  VAL  43          2HG2      VAL  43   5.133   7.611  -5.493
  339    H    ARG  44           H        ARG  44   3.538   7.729  -0.460
  340    HA   ARG  44           HA       ARG  44   5.009  10.044   0.574
  341   1HB   ARG  44          2HB       ARG  44   2.279   9.886   0.643
  342   2HB   ARG  44          1HB       ARG  44   2.615   8.969   2.074
  343   1HG   ARG  44          2HG       ARG  44   2.743  10.974   3.044
  344   2HG   ARG  44          1HG       ARG  44   4.344  11.158   2.329
  345   1HD   ARG  44          2HD       ARG  44   1.681  12.233   1.349
  346   2HD   ARG  44          1HD       ARG  44   3.161  13.103   1.629
  347    HE   ARG  44           HE       ARG  44   3.113  11.041  -0.541
  348   1HH1  ARG  44          2HH2      ARG  44   4.851  13.622   0.205
  349   2HH1  ARG  44          1HH2      ARG  44   4.532  14.604  -1.170
  350   1HH2  ARG  44          2HH1      ARG  44   1.888  12.536  -2.178
  351   2HH2  ARG  44          1HH1      ARG  44   2.787  13.977  -2.580
  352    H    LEU  45           H        LEU  45   6.753   8.946   1.217
  353    HA   LEU  45           HA       LEU  45   6.563   6.967   3.413
  354   1HB   LEU  45          2HB       LEU  45   6.965   5.937   1.132
  355   2HB   LEU  45          1HB       LEU  45   8.501   6.813   1.160
  356    HG   LEU  45           HG       LEU  45   8.617   4.426   1.996
  357   1HD1  LEU  45          3HD1      LEU  45  10.248   6.316   2.683
  358   2HD1  LEU  45          2HD1      LEU  45   9.329   6.368   4.169
  359   3HD1  LEU  45          1HD1      LEU  45  10.147   4.857   3.678
  360   1HD2  LEU  45          2HD2      LEU  45   6.391   4.763   3.266
  361   2HD2  LEU  45          1HD2      LEU  45   7.657   3.788   4.066
  362   3HD2  LEU  45          3HD2      LEU  45   7.407   5.476   4.531
  363    H    VAL  46           H        VAL  46   7.071   8.794   4.825
  364    HA   VAL  46           HA       VAL  46   9.385  10.386   4.238
  365    HB   VAL  46           HB       VAL  46   7.510  10.585   6.563
  366   1HG1  VAL  46          1HG1      VAL  46   9.897  11.675   6.547
  367   2HG1  VAL  46          3HG1      VAL  46   9.195  12.789   5.389
  368   3HG1  VAL  46          2HG1      VAL  46   8.479  12.627   7.016
  369   1HG2  VAL  46          3HG2      VAL  46   7.398  11.639   3.735
  370   2HG2  VAL  46          2HG2      VAL  46   6.103  11.009   4.704
  371   3HG2  VAL  46          1HG2      VAL  46   6.688  12.603   5.069
  372    HA   PRO  47           HA       PRO  47  12.046   7.482   6.368
  373   1HB   PRO  47          2HB       PRO  47  13.664  10.082   6.358
  374   2HB   PRO  47          1HB       PRO  47  14.256   8.439   6.062
  375   1HG   PRO  47          2HG       PRO  47  13.652   9.960   3.930
  376   2HG   PRO  47          1HG       PRO  47  13.053   8.269   3.972
  377   1HD   PRO  47          2HD       PRO  47  11.565  10.871   4.619
  378   2HD   PRO  47          1HD       PRO  47  11.083   9.494   3.620
  379    H    GLY  48           H        GLY  48  11.051  10.562   7.853
  380   1HA   GLY  48          2HA       GLY  48  12.185  10.035  10.426
  381   2HA   GLY  48          1HA       GLY  48  10.702  10.969  10.156
  382    H    ARG  49           H        ARG  49   9.446   8.942   8.656
  383    HA   ARG  49           HA       ARG  49   8.332   7.090  10.686
  384   1HB   ARG  49          2HB       ARG  49   7.417   7.752   7.896
  385   2HB   ARG  49          1HB       ARG  49   6.717   6.572   8.996
  386   1HG   ARG  49          2HG       ARG  49   5.435   8.167   9.809
  387   2HG   ARG  49          1HG       ARG  49   6.904   8.832  10.569
  388   1HD   ARG  49          2HD       ARG  49   6.525   9.438   7.697
  389   2HD   ARG  49          1HD       ARG  49   5.267  10.083   8.770
  390    HE   ARG  49           HE       ARG  49   8.204  10.498   9.167
  391   1HH1  ARG  49          1HH2      ARG  49   7.752  11.762  11.344
  392   2HH1  ARG  49          2HH2      ARG  49   6.979  13.290  11.045
  393   1HH2  ARG  49          1HH1      ARG  49   6.016  12.436   7.846
  394   2HH2  ARG  49          2HH1      ARG  49   6.000  13.677   9.063
  395    H    HIS  50           H        HIS  50   9.043   6.662   7.209
  396    HA   HIS  50           HA       HIS  50   9.886   4.834   6.079
  397   1HB   HIS  50          2HB       HIS  50  11.184   4.196   8.789
  398   2HB   HIS  50          1HB       HIS  50  11.153   3.048   7.474
  399    HD1  HIS  50           HD1      HIS  50  13.702   4.417   8.803
  400    HD2  HIS  50           HD2      HIS  50  11.956   5.380   5.135
  401    HE1  HIS  50           HE1      HIS  50  15.499   5.490   7.393
  402    HE2  HIS  50           HE2      HIS  50  14.544   6.098   5.165
  403    H    ASP  51           H        ASP  51   7.460   5.149   7.952
  404    HA   ASP  51           HA       ASP  51   6.740   2.283   7.810
  405   1HB   ASP  51          2HB       ASP  51   6.140   2.097  10.114
  406   2HB   ASP  51          1HB       ASP  51   7.609   3.065  10.180
  407    H    ILE  52           H        ILE  52   5.590   5.383   7.240
  408    HA   ILE  52           HA       ILE  52   2.800   4.409   7.111
  409    HB   ILE  52           HB       ILE  52   1.974   6.628   7.228
  410   1HG1  ILE  52          2HG1      ILE  52   3.934   8.209   8.364
  411   2HG1  ILE  52          1HG1      ILE  52   4.828   7.414   7.070
  412   1HG2  ILE  52          1HG2      ILE  52   3.022   5.181   9.352
  413   2HG2  ILE  52          3HG2      ILE  52   3.597   6.823   9.644
  414   3HG2  ILE  52          2HG2      ILE  52   1.870   6.534   9.499
  415   1HD1  ILE  52          1HD1      ILE  52   2.251   8.171   6.065
  416   2HD1  ILE  52          3HD1      ILE  52   2.905   9.578   6.895
  417   3HD1  ILE  52          2HD1      ILE  52   3.796   8.790   5.566
  418    H    ALA  53           H        ALA  53   2.349   3.969   5.057
  419    HA   ALA  53           HA       ALA  53   3.793   5.343   2.802
  420   1HB   ALA  53          2HB       ALA  53   3.497   2.631   3.572
  421   2HB   ALA  53          1HB       ALA  53   2.518   2.877   2.159
  422   3HB   ALA  53          3HB       ALA  53   4.223   3.329   2.103
  423    H    PHE  54           H        PHE  54   2.513   6.717   1.832
  424    HA   PHE  54           HA       PHE  54  -0.268   6.092   1.256
  425   1HB   PHE  54          2HB       PHE  54  -0.024   8.122   2.688
  426   2HB   PHE  54          1HB       PHE  54   0.805   8.906   1.315
  427    HD1  PHE  54           HD2      PHE  54  -0.563   8.607  -1.013
  428    HD2  PHE  54           HD1      PHE  54  -2.226   8.667   2.957
  429    HE1  PHE  54           HE2      PHE  54  -2.736   9.308  -1.940
  430    HE2  PHE  54           HE1      PHE  54  -4.399   9.362   2.056
  431    HZ   PHE  54           HZ       PHE  54  -4.665   9.678  -0.357
  432    H    VAL  55           H        VAL  55  -0.242   5.107  -0.535
  433    HA   VAL  55           HA       VAL  55   1.394   6.144  -2.794
  434    HB   VAL  55           HB       VAL  55   0.280   3.400  -2.206
  435   1HG1  VAL  55          1HG1      VAL  55   2.306   4.481  -4.224
  436   2HG1  VAL  55          3HG1      VAL  55   1.954   2.772  -4.066
  437   3HG1  VAL  55          2HG1      VAL  55   0.716   3.902  -4.637
  438   1HG2  VAL  55          3HG2      VAL  55   2.230   4.502  -0.716
  439   2HG2  VAL  55          2HG2      VAL  55   2.144   2.791  -1.133
  440   3HG2  VAL  55          1HG2      VAL  55   3.177   3.903  -2.084
  441    H    GLU  56           H        GLU  56   0.188   7.277  -3.991
  442    HA   GLU  56           HA       GLU  56  -2.519   6.612  -4.873
  443   1HB   GLU  56          2HB       GLU  56  -1.631   9.012  -4.176
  444   2HB   GLU  56          1HB       GLU  56  -1.029   8.967  -5.849
  445   1HG   GLU  56          2HG       GLU  56  -3.697   8.129  -6.054
  446   2HG   GLU  56          1HG       GLU  56  -3.678   9.527  -4.960
  447    H    PHE  57           H        PHE  57  -2.433   5.109  -6.352
  448    HA   PHE  57           HA       PHE  57  -0.466   4.952  -8.551
  449   1HB   PHE  57          2HB       PHE  57  -2.663   3.159  -7.453
  450   2HB   PHE  57          1HB       PHE  57  -1.770   2.858  -8.957
  451    HD1  PHE  57           HD2      PHE  57   0.752   2.186  -8.807
  452    HD2  PHE  57           HD1      PHE  57  -1.785   2.718  -5.396
  453    HE1  PHE  57           HE2      PHE  57   2.376   0.932  -7.367
  454    HE2  PHE  57           HE1      PHE  57  -0.222   1.478  -3.977
  455    HZ   PHE  57           HZ       PHE  57   1.829   0.586  -4.949
  456    H    ASP  58           H        ASP  58  -1.135   6.262 -10.161
  457    HA   ASP  58           HA       ASP  58  -3.157   7.418 -11.133
  458   1HB   ASP  58          2HB       ASP  58  -1.008   6.811 -12.403
  459   2HB   ASP  58          1HB       ASP  58  -1.895   5.371 -12.932
  460    H    ASN  59           H        ASN  59  -3.171   3.769 -11.525
  461    HA   ASN  59           HA       ASN  59  -6.043   4.009 -11.243
  462   1HB   ASN  59          2HB       ASN  59  -6.600   2.698 -13.184
  463   2HB   ASN  59          1HB       ASN  59  -5.629   4.044 -13.784
  464   1HD2  ASN  59          2HD2      ASN  59  -3.369   1.747 -15.252
  465   2HD2  ASN  59          1HD2      ASN  59  -4.079   3.301 -15.275
  466    H    GLU  60           H        GLU  60  -7.091   2.214 -10.617
  467    HA   GLU  60           HA       GLU  60  -5.796   0.712  -8.649
  468   1HB   GLU  60          2HB       GLU  60  -7.882  -0.507  -8.423
  469   2HB   GLU  60          1HB       GLU  60  -8.085   1.232  -8.520
  470   1HG   GLU  60          2HG       GLU  60  -8.272  -0.060 -11.190
  471   2HG   GLU  60          1HG       GLU  60  -9.478  -0.664 -10.077
  472    H    VAL  61           H        VAL  61  -5.847  -0.120 -12.040
  473    HA   VAL  61           HA       VAL  61  -5.552  -2.972 -11.583
  474    HB   VAL  61           HB       VAL  61  -4.984  -1.146 -13.940
  475   1HG1  VAL  61          1HG1      VAL  61  -3.648  -3.664 -13.422
  476   2HG1  VAL  61          3HG1      VAL  61  -4.625  -3.768 -14.875
  477   3HG1  VAL  61          2HG1      VAL  61  -3.404  -2.530 -14.762
  478   1HG2  VAL  61          3HG2      VAL  61  -7.325  -1.964 -13.427
  479   2HG2  VAL  61          2HG2      VAL  61  -6.694  -2.390 -14.988
  480   3HG2  VAL  61          1HG2      VAL  61  -6.745  -3.621 -13.726
  481    H    GLN  62           H        GLN  62  -3.524  -0.157 -12.019
  482    HA   GLN  62           HA       GLN  62  -1.071  -1.640 -11.520
  483   1HB   GLN  62          2HB       GLN  62  -1.115   1.366 -11.295
  484   2HB   GLN  62          1HB       GLN  62   0.199   0.336 -11.722
  485   1HG   GLN  62          2HG       GLN  62  -0.350   0.250 -13.922
  486   2HG   GLN  62          1HG       GLN  62  -2.037   0.073 -13.548
  487   1HE2  GLN  62          1HE2      GLN  62  -0.973   3.656 -14.821
  488   2HE2  GLN  62          2HE2      GLN  62  -0.238   2.191 -15.175
  489    H    ALA  63           H        ALA  63  -3.323   0.246  -9.490
  490    HA   ALA  63           HA       ALA  63  -1.445   0.347  -7.354
  491   1HB   ALA  63          3HB       ALA  63  -3.861   1.655  -7.863
  492   2HB   ALA  63          2HB       ALA  63  -4.371   0.333  -6.778
  493   3HB   ALA  63          1HB       ALA  63  -3.177   1.499  -6.235
  494    H    GLY  64           H        GLY  64  -4.052  -1.619  -8.419
  495   1HA   GLY  64          2HA       GLY  64  -4.154  -3.490  -6.331
  496   2HA   GLY  64          1HA       GLY  64  -4.842  -3.674  -7.974
  497    H    ALA  65           H        ALA  65  -2.259  -3.145  -9.352
  498    HA   ALA  65           HA       ALA  65  -1.190  -5.762  -9.359
  499   1HB   ALA  65          3HB       ALA  65  -0.979  -4.196 -11.378
  500   2HB   ALA  65          2HB       ALA  65   0.120  -3.203 -10.387
  501   3HB   ALA  65          1HB       ALA  65   0.539  -4.870 -10.870
  502    H    ALA  66           H        ALA  66   0.267  -2.648  -8.273
  503    HA   ALA  66           HA       ALA  66   2.609  -3.603  -6.925
  504   1HB   ALA  66          3HB       ALA  66   0.852  -1.221  -6.905
  505   2HB   ALA  66          2HB       ALA  66   1.627  -1.507  -5.381
  506   3HB   ALA  66          1HB       ALA  66   2.601  -1.261  -6.850
  507    H    ARG  67           H        ARG  67  -0.660  -3.126  -5.682
  508    HA   ARG  67           HA       ARG  67  -0.061  -3.916  -3.052
  509   1HB   ARG  67          2HB       ARG  67  -2.073  -2.683  -4.037
  510   2HB   ARG  67          1HB       ARG  67  -2.806  -4.215  -4.381
  511   1HG   ARG  67          2HG       ARG  67  -2.297  -2.753  -1.851
  512   2HG   ARG  67          1HG       ARG  67  -3.649  -3.867  -2.185
  513   1HD   ARG  67          2HD       ARG  67  -0.839  -4.868  -1.605
  514   2HD   ARG  67          1HD       ARG  67  -1.961  -4.406  -0.356
  515    HE   ARG  67           HE       ARG  67  -2.268  -6.840  -1.959
  516   1HH1  ARG  67          2HH1      ARG  67  -4.801  -6.092  -2.506
  517   2HH1  ARG  67          1HH1      ARG  67  -5.727  -6.184  -1.035
  518   1HH2  ARG  67          2HH2      ARG  67  -2.857  -6.187   0.980
  519   2HH2  ARG  67          1HH2      ARG  67  -4.565  -6.246   1.024
  520    H    ASP  68           H        ASP  68  -1.567  -5.866  -5.716
  521    HA   ASP  68           HA       ASP  68  -1.555  -8.406  -4.401
  522   1HB   ASP  68          2HB       ASP  68  -2.526  -9.126  -6.243
  523   2HB   ASP  68          1HB       ASP  68  -2.361  -7.559  -6.952
  524    H    ALA  69           H        ALA  69   0.961  -6.642  -5.998
  525    HA   ALA  69           HA       ALA  69   2.813  -8.832  -6.362
  526   1HB   ALA  69          2HB       ALA  69   2.805  -6.439  -7.481
  527   2HB   ALA  69          1HB       ALA  69   3.733  -5.976  -6.058
  528   3HB   ALA  69          3HB       ALA  69   4.339  -7.263  -7.122
  529    H    LEU  70           H        LEU  70   2.271  -6.282  -3.845
  530    HA   LEU  70           HA       LEU  70   4.106  -7.885  -2.130
  531   1HB   LEU  70          2HB       LEU  70   4.627  -5.648  -0.922
  532   2HB   LEU  70          1HB       LEU  70   5.405  -5.958  -2.468
  533    HG   LEU  70           HG       LEU  70   2.807  -4.643  -2.653
  534   1HD1  LEU  70          2HD1      LEU  70   4.078  -3.570  -0.707
  535   2HD1  LEU  70          1HD1      LEU  70   5.105  -2.867  -1.977
  536   3HD1  LEU  70          3HD1      LEU  70   3.349  -2.548  -1.946
  537   1HD2  LEU  70          3HD2      LEU  70   4.480  -5.183  -4.497
  538   2HD2  LEU  70          2HD2      LEU  70   3.993  -3.496  -4.508
  539   3HD2  LEU  70          1HD2      LEU  70   5.549  -3.984  -3.795
  540    H    GLN  71           H        GLN  71   1.518  -8.439  -2.358
  541    HA   GLN  71           HA       GLN  71  -0.288  -7.082  -0.574
  542   1HB   GLN  71          2HB       GLN  71  -0.980  -8.452  -2.584
  543   2HB   GLN  71          1HB       GLN  71  -0.459  -9.874  -1.736
  544   1HG   GLN  71          2HG       GLN  71  -2.202  -9.948  -0.422
  545   2HG   GLN  71          1HG       GLN  71  -2.311  -8.190  -0.162
  546   1HE2  GLN  71          1HE2      GLN  71  -5.364  -8.719  -1.973
  547   2HE2  GLN  71          2HE2      GLN  71  -4.661  -8.634  -0.422
  548    H    GLY  72           H        GLY  72   2.225  -7.907   0.889
  549   1HA   GLY  72          2HA       GLY  72   1.292  -8.846   3.289
  550   2HA   GLY  72          1HA       GLY  72   1.487 -10.317   2.356
  551    H    PHE  73           H        PHE  73   3.179  -7.208   2.510
  552    HA   PHE  73           HA       PHE  73   5.793  -8.440   2.316
  553   1HB   PHE  73          2HB       PHE  73   5.409  -6.108   1.547
  554   2HB   PHE  73          1HB       PHE  73   5.056  -5.611   3.199
  555    HD1  PHE  73           HD1      PHE  73   7.634  -8.133   3.089
  556    HD2  PHE  73           HD2      PHE  73   6.908  -3.928   2.554
  557    HE1  PHE  73           HE1      PHE  73  10.077  -7.676   3.417
  558    HE2  PHE  73           HE2      PHE  73   9.315  -3.469   2.864
  559    HZ   PHE  73           HZ       PHE  73  10.879  -5.327   3.299
  560    H    LYS  74           H        LYS  74   5.603  -9.998   3.858
  561    HA   LYS  74           HA       LYS  74   5.145  -9.626   6.696
  562   1HB   LYS  74          2HB       LYS  74   6.802 -11.529   7.009
  563   2HB   LYS  74          1HB       LYS  74   5.341 -11.897   6.083
  564   1HG   LYS  74          2HG       LYS  74   6.648 -12.372   4.258
  565   2HG   LYS  74          1HG       LYS  74   7.471 -10.835   4.340
  566   1HD   LYS  74          2HD       LYS  74   9.069 -11.635   5.928
  567   2HD   LYS  74          1HD       LYS  74   8.163 -13.105   6.188
  568   1HE   LYS  74          2HE       LYS  74   8.821 -14.015   4.079
  569   2HE   LYS  74          1HE       LYS  74   9.213 -12.419   3.431
  570   1HZ   LYS  74          3HZ       LYS  74  10.989 -12.281   5.158
  571   2HZ   LYS  74          2HZ       LYS  74  10.680 -13.893   5.543
  572   3HZ   LYS  74          1HZ       LYS  74  11.267 -13.521   4.016
  573    H    ILE  75           H        ILE  75   5.994  -7.653   7.205
  574    HA   ILE  75           HA       ILE  75   8.584  -6.612   6.808
  575    HB   ILE  75           HB       ILE  75   6.312  -6.208   8.674
  576   1HG1  ILE  75          2HG1      ILE  75   6.744  -3.914   8.072
  577   2HG1  ILE  75          1HG1      ILE  75   8.286  -4.335   7.273
  578   1HG2  ILE  75          1HG2      ILE  75   9.150  -5.756   9.596
  579   2HG2  ILE  75          3HG2      ILE  75   7.999  -4.446   9.800
  580   3HG2  ILE  75          2HG2      ILE  75   7.672  -5.959  10.571
  581   1HD1  ILE  75          1HD1      ILE  75   5.559  -5.346   6.510
  582   2HD1  ILE  75          3HD1      ILE  75   6.302  -4.001   5.690
  583   3HD1  ILE  75          2HD1      ILE  75   7.071  -5.567   5.571
  584    H    THR  76           H        THR  76   7.405  -8.975   9.027
  585    HA   THR  76           HA       THR  76  10.211  -9.732   9.736
  586    HB   THR  76           HB       THR  76   7.946  -9.670  11.782
  587    HG1  THR  76          1HG       THR  76   8.908  -7.538  10.925
  588   1HG2  THR  76          2HG2      THR  76  10.620 -10.768  11.743
  589   2HG2  THR  76          1HG2      THR  76  10.356  -9.627  13.060
  590   3HG2  THR  76          3HG2      THR  76   9.284 -11.037  12.857
  591    H    GLN  77           H        GLN  77   6.878 -10.597  10.113
  592    HA   GLN  77           HA       GLN  77   6.501 -12.879   8.681
  593   1HB   GLN  77          2HB       GLN  77   8.215 -14.314   9.566
  594   2HB   GLN  77          1HB       GLN  77   8.335 -13.255  10.998
  595   1HG   GLN  77          2HG       GLN  77   6.606 -14.208  12.091
  596   2HG   GLN  77          1HG       GLN  77   5.893 -14.865  10.582
  597   1HE2  GLN  77          1HE2      GLN  77   9.161 -16.860  12.023
  598   2HE2  GLN  77          2HE2      GLN  77   9.108 -15.158  12.146
  599    H    ASN  78           H        ASN  78   6.413 -11.777  11.961
  600    HA   ASN  78           HA       ASN  78   3.581 -12.511  12.361
  601   1HB   ASN  78          2HB       ASN  78   4.358 -12.719  14.488
  602   2HB   ASN  78          1HB       ASN  78   5.927 -12.105  14.068
  603   1HD2  ASN  78          2HD2      ASN  78   3.446  -9.690  16.085
  604   2HD2  ASN  78          1HD2      ASN  78   3.044 -11.295  15.816
  605    H    ASN  79           H        ASN  79   5.720  -9.898  11.743
  606    HA   ASN  79           HA       ASN  79   3.558  -7.896  11.708
  607   1HB   ASN  79          2HB       ASN  79   6.613  -7.723  11.670
  608   2HB   ASN  79          1HB       ASN  79   5.637  -6.332  11.310
  609   1HD2  ASN  79          2HD2      ASN  79   6.411  -6.901  15.063
  610   2HD2  ASN  79          1HD2      ASN  79   7.341  -7.385  13.739
  611    H    ALA  80           H        ALA  80   2.624  -7.552   9.812
  612    HA   ALA  80           HA       ALA  80   4.085  -8.083   7.321
  613   1HB   ALA  80          3HB       ALA  80   1.806  -9.506   8.212
  614   2HB   ALA  80          2HB       ALA  80   1.146  -8.366   7.084
  615   3HB   ALA  80          1HB       ALA  80   2.437  -9.455   6.566
  616    H    MET  81           H        MET  81   3.768  -6.477   5.797
  617    HA   MET  81           HA       MET  81   3.246  -3.836   6.593
  618   1HB   MET  81          2HB       MET  81   4.387  -4.103   4.602
  619   2HB   MET  81          1HB       MET  81   3.259  -5.349   4.007
  620   1HG   MET  81          2HG       MET  81   1.612  -3.167   3.967
  621   2HG   MET  81          1HG       MET  81   3.219  -2.411   3.745
  622   1HE   MET  81          2HE       MET  81   4.845  -3.155   2.577
  623   2HE   MET  81          1HE       MET  81   4.864  -4.152   1.102
  624   3HE   MET  81          3HE       MET  81   4.354  -2.456   1.065
  625    H    LYS  82           H        LYS  82   1.335  -2.373   6.610
  626    HA   LYS  82           HA       LYS  82  -1.179  -3.700   5.795
  627   1HB   LYS  82          2HB       LYS  82  -0.916  -1.968   8.280
  628   2HB   LYS  82          1HB       LYS  82  -2.368  -2.725   7.638
  629   1HG   LYS  82          2HG       LYS  82  -0.179  -4.643   7.944
  630   2HG   LYS  82          1HG       LYS  82  -0.656  -3.917   9.465
  631   1HD   LYS  82          2HD       LYS  82  -2.046  -5.895   9.004
  632   2HD   LYS  82          1HD       LYS  82  -2.966  -4.415   9.086
  633   1HE   LYS  82          2HE       LYS  82  -2.875  -4.275   6.557
  634   2HE   LYS  82          1HE       LYS  82  -1.996  -5.805   6.562
  635   1HZ   LYS  82          1HZ       LYS  82  -4.640  -5.466   7.939
  636   2HZ   LYS  82          3HZ       LYS  82  -4.567  -5.882   6.303
  637   3HZ   LYS  82          2HZ       LYS  82  -3.919  -6.919   7.454
  638    H    ILE  83           H        ILE  83  -1.869  -2.756   4.187
  639    HA   ILE  83           HA       ILE  83  -1.548   0.109   3.442
  640    HB   ILE  83           HB       ILE  83  -0.848  -2.422   2.067
  641   1HG1  ILE  83          2HG1      ILE  83   0.030   0.436   1.633
  642   2HG1  ILE  83          1HG1      ILE  83   0.833  -0.718   2.708
  643   1HG2  ILE  83          1HG2      ILE  83  -2.600  -0.308   0.880
  644   2HG2  ILE  83          3HG2      ILE  83  -1.278  -0.851  -0.101
  645   3HG2  ILE  83          2HG2      ILE  83  -2.474  -2.040   0.491
  646   1HD1  ILE  83          1HD1      ILE  83   0.678  -2.253   0.488
  647   2HD1  ILE  83          3HD1      ILE  83   0.713  -0.663  -0.244
  648   3HD1  ILE  83          2HD1      ILE  83   2.023  -1.136   0.832
  649    H    SER  84           H        SER  84  -3.457   0.994   3.339
  650    HA   SER  84           HA       SER  84  -5.912  -0.571   3.166
  651   1HB   SER  84          2HB       SER  84  -6.748   0.493   4.877
  652   2HB   SER  84          1HB       SER  84  -5.118   1.004   5.265
  653    HG   SER  84           HG       SER  84  -6.660   2.771   5.164
  654    H    PHE  85           H        PHE  85  -6.488  -0.392   1.049
  655    HA   PHE  85           HA       PHE  85  -6.000   1.527  -0.892
  656   1HB   PHE  85          2HB       PHE  85  -8.355  -0.235  -0.256
  657   2HB   PHE  85          1HB       PHE  85  -8.380   0.855  -1.612
  658    HD1  PHE  85           HD2      PHE  85  -6.915   0.606  -3.541
  659    HD2  PHE  85           HD1      PHE  85  -6.816  -2.153  -0.222
  660    HE1  PHE  85           HE2      PHE  85  -5.583  -0.984  -4.879
  661    HE2  PHE  85           HE1      PHE  85  -5.504  -3.751  -1.537
  662    HZ   PHE  85           HZ       PHE  85  -4.857  -3.161  -3.931
  663    H    ALA  86           H        ALA  86  -7.628   3.343  -1.605
  664    HA   ALA  86           HA       ALA  86  -8.485   4.747   0.737
  665   1HB   ALA  86          2HB       ALA  86  -8.542   5.328  -2.223
  666   2HB   ALA  86          1HB       ALA  86  -9.625   6.267  -1.218
  667   3HB   ALA  86          3HB       ALA  86  -7.897   6.304  -0.937
  668    H    LYS  87           H        LYS  87  -9.862   2.697   1.232
  669    HA   LYS  87           HA       LYS  87 -12.039   1.782  -0.159
  670   1HB   LYS  87          2HB       LYS  87 -12.869   0.801   1.761
  671   2HB   LYS  87          1HB       LYS  87 -11.156   0.880   2.061
  672   1HG   LYS  87          2HG       LYS  87 -11.439   2.901   3.466
  673   2HG   LYS  87          1HG       LYS  87 -13.193   2.826   3.194
  674   1HD   LYS  87          2HD       LYS  87 -13.491   0.968   4.454
  675   2HD   LYS  87          1HD       LYS  87 -11.825   0.387   4.133
  676   1HE   LYS  87          2HE       LYS  87 -11.374   1.077   6.182
  677   2HE   LYS  87          1HE       LYS  87 -11.378   2.713   5.480
  678   1HZ   LYS  87          2HZ       LYS  87 -13.781   2.783   5.935
  679   2HZ   LYS  87          1HZ       LYS  87 -13.608   1.425   6.925
  680   3HZ   LYS  87          3HZ       LYS  87 -12.797   2.868   7.309
  681    H    LYS  88           H        LYS  88 -13.755   2.765  -0.905
  682    HA   LYS  88           HA       LYS  88 -15.127   4.870   0.608
  683   1HB   LYS  88          2HB       LYS  88 -14.875   6.558  -1.221
  684   2HB   LYS  88          1HB       LYS  88 -13.301   5.989  -0.642
  685   1HG   LYS  88          2HG       LYS  88 -13.268   4.374  -2.521
  686   2HG   LYS  88          1HG       LYS  88 -14.668   5.199  -3.215
  687   1HD   LYS  88          2HD       LYS  88 -13.097   7.347  -2.588
  688   2HD   LYS  88          1HD       LYS  88 -11.895   6.197  -3.092
  689   1HE   LYS  88          2HE       LYS  88 -12.501   6.564  -5.274
  690   2HE   LYS  88          1HE       LYS  88 -14.159   6.073  -4.884
  691   1HZ   LYS  88          2HZ       LYS  88 -12.969   8.750  -4.384
  692   2HZ   LYS  88          1HZ       LYS  88 -13.969   8.350  -5.696
  693   3HZ   LYS  88          3HZ       LYS  88 -14.606   8.274  -4.131
   
  No H/Q in entry =         693
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1 -16.151   2.915  -3.384
    2   2H    MET   1          3H        MET   1 -16.161   3.049  -1.694
    3   3H    MET   1          2H        MET   1 -15.357   1.738  -2.454
    4    HA   MET   1           HA       MET   1 -17.189   0.711  -1.717
    5   1HB   MET   1          2HB       MET   1 -19.478   1.830  -1.754
    6   2HB   MET   1          1HB       MET   1 -18.282   2.707  -0.799
    7   1HG   MET   1          2HG       MET   1 -18.225   4.486  -2.132
    8   2HG   MET   1          1HG       MET   1 -18.379   3.525  -3.621
    9   1HE   MET   1          1HE       MET   1 -20.212   3.803  -5.022
   10   2HE   MET   1          3HE       MET   1 -21.635   4.781  -4.654
   11   3HE   MET   1          2HE       MET   1 -20.061   5.502  -4.481
   12    H    ALA   2           H        ALA   2 -18.961  -0.322  -2.917
   13    HA   ALA   2           HA       ALA   2 -18.989   0.264  -5.832
   14   1HB   ALA   2          2HB       ALA   2 -17.340  -1.772  -4.717
   15   2HB   ALA   2          1HB       ALA   2 -18.690  -2.621  -5.434
   16   3HB   ALA   2          3HB       ALA   2 -17.755  -1.524  -6.424
   17    HA   PRO   3           HA       PRO   3 -23.104  -1.321  -5.230
   18   1HB   PRO   3          2HB       PRO   3 -23.735  -1.883  -7.823
   19   2HB   PRO   3          1HB       PRO   3 -23.283  -0.240  -7.319
   20   1HG   PRO   3          2HG       PRO   3 -21.710  -2.285  -8.881
   21   2HG   PRO   3          1HG       PRO   3 -21.685  -0.488  -8.946
   22   1HD   PRO   3          2HD       PRO   3 -19.884  -2.217  -7.512
   23   2HD   PRO   3          1HD       PRO   3 -19.894  -0.440  -7.498
   24    H    ALA   4           H        ALA   4 -20.710  -3.506  -5.442
   25    HA   ALA   4           HA       ALA   4 -22.439  -5.711  -4.888
   26   1HB   ALA   4          1HB       ALA   4 -21.047  -5.620  -7.606
   27   2HB   ALA   4          3HB       ALA   4 -21.618  -7.155  -6.885
   28   3HB   ALA   4          2HB       ALA   4 -22.747  -5.885  -7.260
   29    H    GLN   5           H        GLN   5 -20.327  -4.459  -3.644
   30    HA   GLN   5           HA       GLN   5 -18.303  -6.624  -3.324
   31   1HB   GLN   5          2HB       GLN   5 -17.318  -4.753  -4.771
   32   2HB   GLN   5          1HB       GLN   5 -17.575  -3.674  -3.426
   33   1HG   GLN   5          2HG       GLN   5 -15.434  -4.403  -2.866
   34   2HG   GLN   5          1HG       GLN   5 -16.377  -5.612  -2.021
   35   1HE2  GLN   5          1HE2      GLN   5 -13.939  -6.796  -4.937
   36   2HE2  GLN   5          2HE2      GLN   5 -13.828  -5.275  -4.210
   37    HA   PRO   6           HA       PRO   6 -19.842  -5.288   0.654
   38   1HB   PRO   6          2HB       PRO   6 -20.324  -7.861   1.655
   39   2HB   PRO   6          1HB       PRO   6 -21.433  -6.874   0.643
   40   1HG   PRO   6          2HG       PRO   6 -20.004  -9.294  -0.049
   41   2HG   PRO   6          1HG       PRO   6 -21.253  -8.457  -0.960
   42   1HD   PRO   6          2HD       PRO   6 -18.280  -8.290  -1.248
   43   2HD   PRO   6          1HD       PRO   6 -19.545  -7.872  -2.457
   44    H    LEU   7           H        LEU   7 -18.404  -8.410   1.511
   45    HA   LEU   7           HA       LEU   7 -16.565  -8.939   2.784
   46   1HB   LEU   7          2HB       LEU   7 -15.550  -7.053   0.838
   47   2HB   LEU   7          1HB       LEU   7 -14.762  -6.740   2.403
   48    HG   LEU   7           HG       LEU   7 -14.985  -9.578   1.790
   49   1HD1  LEU   7          1HD1      LEU   7 -14.806  -8.596  -0.523
   50   2HD1  LEU   7          3HD1      LEU   7 -13.268  -7.910  -0.019
   51   3HD1  LEU   7          2HD1      LEU   7 -13.524  -9.679  -0.009
   52   1HD2  LEU   7          2HD2      LEU   7 -13.301  -7.796   3.227
   53   2HD2  LEU   7          1HD2      LEU   7 -13.178  -9.544   3.086
   54   3HD2  LEU   7          3HD2      LEU   7 -12.336  -8.520   1.901
   55    H    SER   8           H        SER   8 -15.956  -5.443   3.177
   56    HA   SER   8           HA       SER   8 -17.043  -5.592   5.957
   57   1HB   SER   8          2HB       SER   8 -14.558  -5.680   5.968
   58   2HB   SER   8          1HB       SER   8 -14.516  -4.283   4.871
   59    HG   SER   8           HG       SER   8 -14.372  -3.387   6.858
   60    H    GLU   9           H        GLU   9 -16.056  -2.548   5.840
   61    HA   GLU   9           HA       GLU   9 -18.424  -1.598   4.294
   62   1HB   GLU   9          2HB       GLU   9 -18.589   0.146   6.088
   63   2HB   GLU   9          1HB       GLU   9 -18.892  -1.512   6.666
   64   1HG   GLU   9          2HG       GLU   9 -17.046  -1.442   8.028
   65   2HG   GLU   9          1HG       GLU   9 -16.063  -0.593   6.805
   66    H    ASN  10           H        ASN  10 -15.501  -1.629   3.508
   67    HA   ASN  10           HA       ASN  10 -15.410   1.033   2.509
   68   1HB   ASN  10          2HB       ASN  10 -14.613   0.941   5.153
   69   2HB   ASN  10          1HB       ASN  10 -13.058   0.990   4.287
   70   1HD2  ASN  10          1HD2      ASN  10 -13.558   4.365   3.231
   71   2HD2  ASN  10          2HD2      ASN  10 -12.510   3.024   3.256
   72    HA   PRO  11           HA       PRO  11 -11.116  -1.149   1.634
   73   1HB   PRO  11          2HB       PRO  11 -11.377  -3.853   2.571
   74   2HB   PRO  11          1HB       PRO  11 -10.257  -2.618   3.161
   75   1HG   PRO  11          2HG       PRO  11 -12.767  -3.599   4.422
   76   2HG   PRO  11          1HG       PRO  11 -11.374  -2.762   5.166
   77   1HD   PRO  11          2HD       PRO  11 -13.806  -1.569   4.658
   78   2HD   PRO  11          1HD       PRO  11 -12.282  -0.714   4.770
   79    HA   PRO  12           HA       PRO  12  -9.958  -2.518   0.361
   80   1HB   PRO  12          2HB       PRO  12  -9.931  -2.504  -2.572
   81   2HB   PRO  12          1HB       PRO  12  -9.200  -3.678  -1.461
   82   1HG   PRO  12          2HG       PRO  12 -11.398  -4.212  -3.106
   83   2HG   PRO  12          1HG       PRO  12 -11.130  -5.002  -1.532
   84   1HD   PRO  12          2HD       PRO  12 -12.990  -2.697  -2.101
   85   2HD   PRO  12          1HD       PRO  12 -13.234  -4.153  -1.093
   86    H    ASN  13           H        ASN  13  -9.038  -0.447   0.389
   87    HA   ASN  13           HA       ASN  13 -10.468   1.665  -1.128
   88   1HB   ASN  13          2HB       ASN  13  -8.512   1.810   1.220
   89   2HB   ASN  13          1HB       ASN  13  -9.259   3.202   0.520
   90   1HD2  ASN  13          2HD2      ASN  13 -11.343   1.191   3.238
   91   2HD2  ASN  13          1HD2      ASN  13  -9.706   0.967   2.945
   92    H    HIS  14           H        HIS  14  -9.337   3.075  -2.463
   93    HA   HIS  14           HA       HIS  14  -6.990   2.121  -3.835
   94   1HB   HIS  14          2HB       HIS  14  -7.027   4.547  -4.840
   95   2HB   HIS  14          1HB       HIS  14  -8.164   3.341  -5.347
   96    HD1  HIS  14           HD1      HIS  14 -10.251   5.018  -5.607
   97    HD2  HIS  14           HD2      HIS  14  -8.308   5.374  -1.983
   98    HE1  HIS  14           HE1      HIS  14 -11.644   6.587  -4.226
   99    HE2  HIS  14           HE2      HIS  14 -10.510   6.888  -1.945
  100    H    ILE  15           H        ILE  15  -6.893   3.323  -0.860
  101    HA   ILE  15           HA       ILE  15  -4.333   4.810  -1.157
  102    HB   ILE  15           HB       ILE  15  -6.725   5.794   0.334
  103   1HG1  ILE  15          2HG1      ILE  15  -4.384   6.838  -1.237
  104   2HG1  ILE  15          1HG1      ILE  15  -6.069   6.934  -1.660
  105   1HG2  ILE  15          1HG2      ILE  15  -3.843   5.987   1.254
  106   2HG2  ILE  15          3HG2      ILE  15  -5.166   6.970   1.910
  107   3HG2  ILE  15          2HG2      ILE  15  -5.126   5.249   2.155
  108   1HD1  ILE  15          1HD1      ILE  15  -5.967   8.301   0.807
  109   2HD1  ILE  15          3HD1      ILE  15  -4.437   8.712   0.046
  110   3HD1  ILE  15          2HD1      ILE  15  -5.945   9.086  -0.755
  111    H    LEU  16           H        LEU  16  -2.896   3.418  -0.221
  112    HA   LEU  16           HA       LEU  16  -3.760   1.834   2.120
  113   1HB   LEU  16          2HB       LEU  16  -1.488   1.024   0.319
  114   2HB   LEU  16          1HB       LEU  16  -2.529   0.008   1.363
  115    HG   LEU  16           HG       LEU  16  -4.091   1.230  -0.742
  116   1HD1  LEU  16          3HD1      LEU  16  -1.638  -0.283  -1.521
  117   2HD1  LEU  16          2HD1      LEU  16  -3.113  -0.307  -2.461
  118   3HD1  LEU  16          1HD1      LEU  16  -2.288   1.241  -2.191
  119   1HD2  LEU  16          2HD2      LEU  16  -4.257  -0.828   0.918
  120   2HD2  LEU  16          1HD2      LEU  16  -5.144  -0.759  -0.585
  121   3HD2  LEU  16          3HD2      LEU  16  -3.599  -1.653  -0.500
  122    H    PHE  17           H        PHE  17  -3.006   2.604   3.834
  123    HA   PHE  17           HA       PHE  17  -0.321   3.728   4.008
  124   1HB   PHE  17          2HB       PHE  17  -1.331   5.720   4.447
  125   2HB   PHE  17          1HB       PHE  17  -2.856   4.926   4.893
  126    HD1  PHE  17           HD1      PHE  17   0.707   5.357   6.050
  127    HD2  PHE  17           HD2      PHE  17  -3.312   4.582   7.285
  128    HE1  PHE  17           HE1      PHE  17   1.393   5.435   8.434
  129    HE2  PHE  17           HE2      PHE  17  -2.628   4.659   9.648
  130    HZ   PHE  17           HZ       PHE  17  -0.308   5.074  10.253
  131    H    LEU  18           H        LEU  18   0.811   2.962   5.569
  132    HA   LEU  18           HA       LEU  18   0.076   2.049   7.990
  133   1HB   LEU  18          2HB       LEU  18  -1.323   0.316   6.997
  134   2HB   LEU  18          1HB       LEU  18   0.087  -0.588   6.613
  135    HG   LEU  18           HG       LEU  18   0.310   0.560   9.268
  136   1HD1  LEU  18          3HD1      LEU  18  -2.295   0.608   8.651
  137   2HD1  LEU  18          2HD1      LEU  18  -2.120  -1.013   9.321
  138   3HD1  LEU  18          1HD1      LEU  18  -1.663   0.401  10.281
  139   1HD2  LEU  18          3HD2      LEU  18  -0.323  -2.220   8.254
  140   2HD2  LEU  18          2HD2      LEU  18   1.233  -1.694   8.974
  141   3HD2  LEU  18          1HD2      LEU  18  -0.155  -1.857  10.001
  142    H    THR  19           H        THR  19   1.862   0.008   8.309
  143    HA   THR  19           HA       THR  19   4.374   1.446   7.817
  144    HB   THR  19           HB       THR  19   4.870   1.453  10.239
  145    HG1  THR  19          1HG       THR  19   3.508   0.567  11.668
  146   1HG2  THR  19          2HG2      THR  19   1.972   2.449   9.932
  147   2HG2  THR  19          1HG2      THR  19   3.114   2.883  11.194
  148   3HG2  THR  19          3HG2      THR  19   3.412   3.397   9.512
  149    H    ASN  20           H        ASN  20   5.973   0.084   9.057
  150    HA   ASN  20           HA       ASN  20   6.698  -1.850   9.966
  151   1HB   ASN  20          2HB       ASN  20   4.378  -3.044   9.626
  152   2HB   ASN  20          1HB       ASN  20   5.164  -3.709   8.166
  153   1HD2  ASN  20          1HD2      ASN  20   7.775  -4.911  10.689
  154   2HD2  ASN  20          2HD2      ASN  20   7.953  -3.668   9.588
  155    H    LEU  21           H        LEU  21   7.663  -0.086   8.194
  156    HA   LEU  21           HA       LEU  21   9.098  -1.770   6.275
  157   1HB   LEU  21          2HB       LEU  21   8.999   1.127   5.819
  158   2HB   LEU  21          1HB       LEU  21   8.938  -0.237   4.705
  159    HG   LEU  21           HG       LEU  21   6.559  -0.647   5.882
  160   1HD1  LEU  21          3HD1      LEU  21   7.485   2.013   6.753
  161   2HD1  LEU  21          2HD1      LEU  21   5.896   2.020   5.974
  162   3HD1  LEU  21          1HD1      LEU  21   6.176   0.977   7.381
  163   1HD2  LEU  21          1HD2      LEU  21   7.025   1.502   3.816
  164   2HD2  LEU  21          3HD2      LEU  21   6.925  -0.258   3.544
  165   3HD2  LEU  21          2HD2      LEU  21   5.522   0.610   4.080
  166    HA   PRO  22           HA       PRO  22  12.679  -0.802   8.893
  167   1HB   PRO  22          2HB       PRO  22  14.360  -1.436   6.624
  168   2HB   PRO  22          1HB       PRO  22  14.096  -2.408   8.049
  169   1HG   PRO  22          2HG       PRO  22  13.118  -2.882   5.395
  170   2HG   PRO  22          1HG       PRO  22  12.798  -3.872   6.861
  171   1HD   PRO  22          2HD       PRO  22  10.881  -2.174   5.601
  172   2HD   PRO  22          1HD       PRO  22  10.692  -2.972   7.152
  173    H    GLU  23           H        GLU  23  15.090   0.115   8.100
  174    HA   GLU  23           HA       GLU  23  14.459   2.858   7.282
  175   1HB   GLU  23          2HB       GLU  23  15.757   2.337   9.283
  176   2HB   GLU  23          1HB       GLU  23  17.049   1.635   8.272
  177   1HG   GLU  23          2HG       GLU  23  17.099   3.923   7.082
  178   2HG   GLU  23          1HG       GLU  23  16.004   4.452   8.353
  179    H    GLU  24           H        GLU  24  15.984  -0.020   5.972
  180    HA   GLU  24           HA       GLU  24  17.448   1.537   3.994
  181   1HB   GLU  24          2HB       GLU  24  16.991  -1.366   4.497
  182   2HB   GLU  24          1HB       GLU  24  17.415  -0.903   2.843
  183   1HG   GLU  24          2HG       GLU  24  19.473  -0.237   3.325
  184   2HG   GLU  24          1HG       GLU  24  19.097   0.266   4.989
  185    H    THR  25           H        THR  25  14.245   0.757   4.514
  186    HA   THR  25           HA       THR  25  13.334   0.364   1.837
  187    HB   THR  25           HB       THR  25  12.243   0.124   4.263
  188    HG1  THR  25          1HG       THR  25  10.132   0.729   2.882
  189   1HG2  THR  25          3HG2      THR  25  12.279   2.486   4.785
  190   2HG2  THR  25          2HG2      THR  25  11.204   2.824   3.437
  191   3HG2  THR  25          1HG2      THR  25  10.618   1.845   4.767
  192    H    ASN  26           H        ASN  26  12.120   2.196   0.522
  193    HA   ASN  26           HA       ASN  26  12.502   4.877   1.586
  194   1HB   ASN  26          2HB       ASN  26  14.054   5.741   0.037
  195   2HB   ASN  26          1HB       ASN  26  14.765   4.296   0.696
  196   1HD2  ASN  26          2HD2      ASN  26  14.884   2.770  -2.575
  197   2HD2  ASN  26          1HD2      ASN  26  15.319   2.506  -0.984
  198    H    GLU  27           H        GLU  27  11.917   6.532  -0.174
  199    HA   GLU  27           HA       GLU  27   9.204   6.009  -1.086
  200   1HB   GLU  27          2HB       GLU  27   9.412   8.154  -2.292
  201   2HB   GLU  27          1HB       GLU  27   9.463   8.269  -0.558
  202   1HG   GLU  27          2HG       GLU  27  11.628   9.209  -0.743
  203   2HG   GLU  27          1HG       GLU  27  12.131   7.825  -1.718
  204    H    LEU  28           H        LEU  28  12.433   6.044  -2.725
  205    HA   LEU  28           HA       LEU  28  11.298   6.058  -5.378
  206   1HB   LEU  28          2HB       LEU  28  13.371   6.916  -5.481
  207   2HB   LEU  28          1HB       LEU  28  14.009   5.902  -4.161
  208    HG   LEU  28           HG       LEU  28  13.924   3.942  -5.819
  209   1HD1  LEU  28          3HD1      LEU  28  12.461   5.549  -7.399
  210   2HD1  LEU  28          2HD1      LEU  28  14.055   6.087  -7.933
  211   3HD1  LEU  28          1HD1      LEU  28  13.630   4.412  -8.094
  212   1HD2  LEU  28          1HD2      LEU  28  15.935   5.458  -5.118
  213   2HD2  LEU  28          3HD2      LEU  28  16.105   4.501  -6.612
  214   3HD2  LEU  28          2HD2      LEU  28  15.690   6.183  -6.701
  215    H    MET  29           H        MET  29  11.956   3.856  -2.855
  216    HA   MET  29           HA       MET  29  12.158   1.373  -4.348
  217   1HB   MET  29          2HB       MET  29  12.882   2.013  -1.938
  218   2HB   MET  29          1HB       MET  29  11.231   1.790  -1.448
  219   1HG   MET  29          2HG       MET  29  11.901  -0.454  -1.165
  220   2HG   MET  29          1HG       MET  29  11.921  -0.516  -2.947
  221   1HE   MET  29          1HE       MET  29  13.339  -1.973  -0.772
  222   2HE   MET  29          3HE       MET  29  15.050  -2.110  -1.105
  223   3HE   MET  29          2HE       MET  29  14.473  -0.942   0.120
  224    H    LEU  30           H        LEU  30   9.816   2.934  -2.250
  225    HA   LEU  30           HA       LEU  30   7.496   1.345  -2.689
  226   1HB   LEU  30          2HB       LEU  30   8.152   4.070  -1.696
  227   2HB   LEU  30          1HB       LEU  30   6.473   3.751  -2.087
  228    HG   LEU  30           HG       LEU  30   7.322   3.323   0.341
  229   1HD1  LEU  30          2HD1      LEU  30   5.507   1.388  -1.209
  230   2HD1  LEU  30          1HD1      LEU  30   5.673   1.449   0.562
  231   3HD1  LEU  30          3HD1      LEU  30   5.062   2.842  -0.309
  232   1HD2  LEU  30          1HD2      LEU  30   9.121   1.793  -0.572
  233   2HD2  LEU  30          3HD2      LEU  30   8.179   1.175   0.797
  234   3HD2  LEU  30          2HD2      LEU  30   7.882   0.594  -0.862
  235    H    SER  31           H        SER  31   8.998   4.045  -4.253
  236    HA   SER  31           HA       SER  31   6.993   5.034  -5.936
  237   1HB   SER  31          2HB       SER  31   8.908   6.379  -5.729
  238   2HB   SER  31          1HB       SER  31   9.971   5.030  -6.228
  239    HG   SER  31           HG       SER  31   8.328   6.736  -7.660
  240    H    MET  32           H        MET  32   9.811   2.903  -6.732
  241    HA   MET  32           HA       MET  32   8.754   2.175  -9.349
  242   1HB   MET  32          2HB       MET  32  10.808   0.937  -7.488
  243   2HB   MET  32          1HB       MET  32  10.477   0.380  -9.143
  244   1HG   MET  32          2HG       MET  32  11.050   2.631  -9.957
  245   2HG   MET  32          1HG       MET  32  11.524   3.073  -8.298
  246   1HE   MET  32          1HE       MET  32  12.661   1.580  -6.902
  247   2HE   MET  32          3HE       MET  32  13.274  -0.007  -7.412
  248   3HE   MET  32          2HE       MET  32  14.346   1.373  -7.283
  249    H    LEU  33           H        LEU  33   8.265   0.775  -6.093
  250    HA   LEU  33           HA       LEU  33   7.361  -1.809  -7.018
  251   1HB   LEU  33          2HB       LEU  33   7.404  -0.270  -4.401
  252   2HB   LEU  33          1HB       LEU  33   6.275  -1.602  -4.594
  253    HG   LEU  33           HG       LEU  33   9.204  -1.846  -5.308
  254   1HD1  LEU  33          2HD1      LEU  33   8.311  -1.497  -2.706
  255   2HD1  LEU  33          1HD1      LEU  33   8.307  -3.276  -2.899
  256   3HD1  LEU  33          3HD1      LEU  33   9.793  -2.325  -3.109
  257   1HD2  LEU  33          1HD2      LEU  33   7.035  -3.835  -4.760
  258   2HD2  LEU  33          3HD2      LEU  33   7.804  -3.556  -6.327
  259   3HD2  LEU  33          2HD2      LEU  33   8.743  -4.251  -4.983
  260    H    PHE  34           H        PHE  34   6.035   1.268  -6.053
  261    HA   PHE  34           HA       PHE  34   3.335   0.285  -6.544
  262   1HB   PHE  34          2HB       PHE  34   4.319   2.957  -5.624
  263   2HB   PHE  34          1HB       PHE  34   2.691   2.828  -6.259
  264    HD1  PHE  34           HD2      PHE  34   4.973   1.074  -3.775
  265    HD2  PHE  34           HD1      PHE  34   0.997   1.989  -5.123
  266    HE1  PHE  34           HE2      PHE  34   4.114   0.007  -1.798
  267    HE2  PHE  34           HE1      PHE  34   0.102   0.841  -3.028
  268    HZ   PHE  34           HZ       PHE  34   1.622  -0.121  -1.408
  269    H    ASN  35           H        ASN  35   5.870   1.697  -8.268
  270    HA   ASN  35           HA       ASN  35   4.571   2.856 -10.542
  271   1HB   ASN  35          2HB       ASN  35   6.985   3.233 -10.082
  272   2HB   ASN  35          1HB       ASN  35   7.304   1.557 -10.435
  273   1HD2  ASN  35          1HD2      ASN  35   7.675   2.658 -13.797
  274   2HD2  ASN  35          2HD2      ASN  35   8.491   2.045 -12.468
  275    H    GLN  36           H        GLN  36   5.771  -0.375  -9.709
  276    HA   GLN  36           HA       GLN  36   5.658  -2.030 -11.806
  277   1HB   GLN  36          2HB       GLN  36   4.289  -2.164  -9.165
  278   2HB   GLN  36          1HB       GLN  36   4.021  -3.505 -10.227
  279   1HG   GLN  36          2HG       GLN  36   6.766  -3.200 -10.465
  280   2HG   GLN  36          1HG       GLN  36   6.537  -2.754  -8.786
  281   1HE2  GLN  36          1HE2      GLN  36   5.755  -6.069  -7.685
  282   2HE2  GLN  36          2HE2      GLN  36   5.714  -4.402  -7.272
  283    H    PHE  37           H        PHE  37   2.909  -0.500 -10.358
  284    HA   PHE  37           HA       PHE  37   0.883  -1.474 -12.264
  285   1HB   PHE  37          2HB       PHE  37   0.678  -0.068  -9.589
  286   2HB   PHE  37          1HB       PHE  37  -0.701  -0.522 -10.519
  287    HD1  PHE  37           HD2      PHE  37  -1.036  -3.118 -11.083
  288    HD2  PHE  37           HD1      PHE  37   2.029  -1.692  -8.424
  289    HE1  PHE  37           HE2      PHE  37  -0.681  -5.388 -10.222
  290    HE2  PHE  37           HE1      PHE  37   2.362  -3.983  -7.552
  291    HZ   PHE  37           HZ       PHE  37   0.973  -5.851  -8.487
  292    HA   PRO  38           HA       PRO  38   0.832   2.488 -14.365
  293   1HB   PRO  38          2HB       PRO  38  -1.822   2.481 -15.130
  294   2HB   PRO  38          1HB       PRO  38  -0.606   1.518 -15.991
  295   1HG   PRO  38          2HG       PRO  38  -2.351   0.522 -13.683
  296   2HG   PRO  38          1HG       PRO  38  -2.134  -0.198 -15.316
  297   1HD   PRO  38          2HD       PRO  38  -0.721  -1.172 -13.308
  298   2HD   PRO  38          1HD       PRO  38   0.155  -0.715 -14.815
  299    H    GLY  39           H        GLY  39  -1.454   1.429 -11.994
  300   1HA   GLY  39          2HA       GLY  39  -2.871   3.721 -11.285
  301   2HA   GLY  39          1HA       GLY  39  -2.497   2.401 -10.172
  302    H    PHE  40           H        PHE  40   0.350   2.865 -10.580
  303    HA   PHE  40           HA       PHE  40   1.458   3.980  -8.497
  304   1HB   PHE  40          2HB       PHE  40   2.706   3.271 -10.397
  305   2HB   PHE  40          1HB       PHE  40   2.131   4.632 -11.387
  306    HD1  PHE  40           HD1      PHE  40   3.538   4.237  -7.949
  307    HD2  PHE  40           HD2      PHE  40   3.954   6.148 -11.788
  308    HE1  PHE  40           HE1      PHE  40   5.492   5.540  -7.097
  309    HE2  PHE  40           HE2      PHE  40   5.866   7.408 -10.986
  310    HZ   PHE  40           HZ       PHE  40   6.669   7.144  -8.636
  311    H    LYS  41           H        LYS  41  -0.138   5.537  -7.667
  312    HA   LYS  41           HA       LYS  41  -0.119   8.201  -9.052
  313   1HB   LYS  41          2HB       LYS  41  -2.023   6.774  -7.499
  314   2HB   LYS  41          1HB       LYS  41  -1.678   8.330  -6.731
  315   1HG   LYS  41          2HG       LYS  41  -1.852   8.964  -9.401
  316   2HG   LYS  41          1HG       LYS  41  -3.190   7.828  -9.159
  317   1HD   LYS  41          2HD       LYS  41  -3.815   9.131  -7.083
  318   2HD   LYS  41          1HD       LYS  41  -2.572  10.276  -7.543
  319   1HE   LYS  41          2HE       LYS  41  -4.058   9.925  -9.873
  320   2HE   LYS  41          1HE       LYS  41  -5.294   9.843  -8.629
  321   1HZ   LYS  41          1HZ       LYS  41  -3.581  11.881  -7.879
  322   2HZ   LYS  41          3HZ       LYS  41  -3.865  12.125  -9.550
  323   3HZ   LYS  41          2HZ       LYS  41  -5.177  12.047  -8.470
  324    H    GLU  42           H        GLU  42   0.067   7.176  -5.613
  325    HA   GLU  42           HA       GLU  42   2.228   9.159  -5.287
  326   1HB   GLU  42          2HB       GLU  42   0.252  10.497  -4.720
  327   2HB   GLU  42          1HB       GLU  42  -0.254   9.267  -3.547
  328   1HG   GLU  42          2HG       GLU  42   0.814  10.813  -2.200
  329   2HG   GLU  42          1HG       GLU  42   2.117   9.638  -2.547
  330    H    VAL  43           H        VAL  43   3.635   8.680  -3.817
  331    HA   VAL  43           HA       VAL  43   3.401   6.309  -2.054
  332    HB   VAL  43           HB       VAL  43   5.886   5.940  -2.920
  333   1HG1  VAL  43          3HG1      VAL  43   3.547   5.273  -4.693
  334   2HG1  VAL  43          2HG1      VAL  43   5.096   4.467  -4.706
  335   3HG1  VAL  43          1HG1      VAL  43   4.085   4.333  -3.267
  336   1HG2  VAL  43          2HG2      VAL  43   5.730   8.071  -4.313
  337   2HG2  VAL  43          1HG2      VAL  43   6.297   6.653  -5.164
  338   3HG2  VAL  43          3HG2      VAL  43   4.610   7.212  -5.366
  339    H    ARG  44           H        ARG  44   3.908   7.045  -0.129
  340    HA   ARG  44           HA       ARG  44   5.905   9.206   0.116
  341   1HB   ARG  44          2HB       ARG  44   3.307   9.747   0.446
  342   2HB   ARG  44          1HB       ARG  44   3.554   8.908   1.948
  343   1HG   ARG  44          2HG       ARG  44   5.717  10.516   2.090
  344   2HG   ARG  44          1HG       ARG  44   4.725  11.509   0.992
  345   1HD   ARG  44          2HD       ARG  44   4.243  12.119   3.312
  346   2HD   ARG  44          1HD       ARG  44   2.853  11.208   2.691
  347    HE   ARG  44           HE       ARG  44   4.522   9.288   3.812
  348   1HH1  ARG  44          2HH2      ARG  44   1.910  10.852   4.847
  349   2HH1  ARG  44          1HH2      ARG  44   2.340  11.009   6.537
  350   1HH2  ARG  44          1HH1      ARG  44   5.647  10.095   6.062
  351   2HH2  ARG  44          2HH1      ARG  44   4.393  10.597   7.160
  352    H    LEU  45           H        LEU  45   7.498   7.844   0.721
  353    HA   LEU  45           HA       LEU  45   7.377   6.879   3.442
  354   1HB   LEU  45          2HB       LEU  45   6.861   4.851   1.894
  355   2HB   LEU  45          1HB       LEU  45   8.410   5.149   1.162
  356    HG   LEU  45           HG       LEU  45   9.521   4.804   3.397
  357   1HD1  LEU  45          2HD1      LEU  45   6.855   5.110   4.250
  358   2HD1  LEU  45          1HD1      LEU  45   7.253   3.439   4.600
  359   3HD1  LEU  45          3HD1      LEU  45   8.264   4.747   5.247
  360   1HD2  LEU  45          3HD2      LEU  45   7.774   2.744   2.099
  361   2HD2  LEU  45          2HD2      LEU  45   9.520   2.944   1.904
  362   3HD2  LEU  45          1HD2      LEU  45   8.884   2.281   3.404
  363    H    VAL  46           H        VAL  46   8.845   8.599   3.770
  364    HA   VAL  46           HA       VAL  46  11.660   8.074   3.431
  365    HB   VAL  46           HB       VAL  46  10.603   8.719   0.967
  366   1HG1  VAL  46          2HG1      VAL  46  10.148  11.067   2.091
  367   2HG1  VAL  46          1HG1      VAL  46  11.835  11.322   1.678
  368   3HG1  VAL  46          3HG1      VAL  46  10.643  10.940   0.435
  369   1HG2  VAL  46          1HG2      VAL  46  13.217   8.954   2.355
  370   2HG2  VAL  46          3HG2      VAL  46  12.859   8.134   0.807
  371   3HG2  VAL  46          2HG2      VAL  46  13.134   9.897   0.900
  372    HA   PRO  47           HA       PRO  47  11.199  12.446   4.860
  373   1HB   PRO  47          2HB       PRO  47   9.469  12.997   6.868
  374   2HB   PRO  47          1HB       PRO  47   8.843  12.887   5.204
  375   1HG   PRO  47          2HG       PRO  47   8.919  10.702   7.335
  376   2HG   PRO  47          1HG       PRO  47   7.532  11.283   6.352
  377   1HD   PRO  47          2HD       PRO  47   9.015   9.145   5.590
  378   2HD   PRO  47          1HD       PRO  47   8.298  10.314   4.414
  379    H    GLY  48           H        GLY  48  10.500  12.099   8.209
  380   1HA   GLY  48          2HA       GLY  48  13.287  11.204   8.636
  381   2HA   GLY  48          1HA       GLY  48  12.192  11.971   9.812
  382    H    ARG  49           H        ARG  49  10.625   9.748   7.930
  383    HA   ARG  49           HA       ARG  49  10.400   7.724  10.115
  384   1HB   ARG  49          2HB       ARG  49   8.720   8.781   7.872
  385   2HB   ARG  49          1HB       ARG  49   8.374   7.161   8.487
  386   1HG   ARG  49          2HG       ARG  49   7.552   7.925  10.425
  387   2HG   ARG  49          1HG       ARG  49   8.699   9.265  10.506
  388   1HD   ARG  49          2HD       ARG  49   6.909   9.518   8.181
  389   2HD   ARG  49          1HD       ARG  49   6.038   9.457   9.713
  390    HE   ARG  49           HE       ARG  49   8.270  11.327   9.019
  391   1HH1  ARG  49          1HH2      ARG  49   6.951  10.662  11.925
  392   2HH1  ARG  49          2HH2      ARG  49   6.170  12.217  12.174
  393   1HH2  ARG  49          2HH1      ARG  49   6.556  13.349   8.966
  394   2HH2  ARG  49          1HH1      ARG  49   5.965  13.632  10.554
  395    H    HIS  50           H        HIS  50   9.659   7.206   6.682
  396    HA   HIS  50           HA       HIS  50  10.315   5.551   5.198
  397   1HB   HIS  50          2HB       HIS  50  12.596   4.423   6.655
  398   2HB   HIS  50          1HB       HIS  50  12.496   5.014   4.995
  399    HD1  HIS  50           HD1      HIS  50  14.589   5.444   7.495
  400    HD2  HIS  50           HD2      HIS  50  12.182   8.252   5.493
  401    HE1  HIS  50           HE1      HIS  50  15.676   7.761   7.826
  402    HE2  HIS  50           HE2      HIS  50  14.257   9.469   6.649
  403    H    ASP  51           H        ASP  51   9.013   5.453   7.916
  404    HA   ASP  51           HA       ASP  51   8.887   2.508   8.102
  405   1HB   ASP  51          2HB       ASP  51   8.968   2.517  10.540
  406   2HB   ASP  51          1HB       ASP  51  10.289   3.496   9.948
  407    H    ILE  52           H        ILE  52   7.173   5.150   7.556
  408    HA   ILE  52           HA       ILE  52   4.615   3.822   8.042
  409    HB   ILE  52           HB       ILE  52   3.497   5.875   8.563
  410   1HG1  ILE  52          2HG1      ILE  52   5.532   7.594   9.476
  411   2HG1  ILE  52          1HG1      ILE  52   6.146   6.981   7.917
  412   1HG2  ILE  52          3HG2      ILE  52   5.124   4.341  10.272
  413   2HG2  ILE  52          2HG2      ILE  52   5.542   5.979  10.685
  414   3HG2  ILE  52          1HG2      ILE  52   3.867   5.444  10.801
  415   1HD1  ILE  52          3HD1      ILE  52   3.288   7.714   7.969
  416   2HD1  ILE  52          2HD1      ILE  52   4.395   9.044   8.293
  417   3HD1  ILE  52          1HD1      ILE  52   4.559   8.126   6.782
  418    H    ALA  53           H        ALA  53   3.918   3.445   6.053
  419    HA   ALA  53           HA       ALA  53   4.800   5.224   3.848
  420   1HB   ALA  53          1HB       ALA  53   4.605   2.337   4.126
  421   2HB   ALA  53          3HB       ALA  53   4.036   2.956   2.551
  422   3HB   ALA  53          2HB       ALA  53   5.674   3.303   3.147
  423    H    PHE  54           H        PHE  54   3.336   6.398   2.982
  424    HA   PHE  54           HA       PHE  54   0.514   5.692   2.922
  425   1HB   PHE  54          2HB       PHE  54   1.553   8.009   3.882
  426   2HB   PHE  54          1HB       PHE  54   1.305   8.435   2.197
  427    HD1  PHE  54           HD2      PHE  54  -1.133   7.636   1.186
  428    HD2  PHE  54           HD1      PHE  54  -0.180   8.402   5.358
  429    HE1  PHE  54           HE2      PHE  54  -3.479   8.008   1.652
  430    HE2  PHE  54           HE1      PHE  54  -2.574   8.769   5.808
  431    HZ   PHE  54           HZ       PHE  54  -4.265   8.592   3.998
  432    H    VAL  55           H        VAL  55   0.098   4.737   1.108
  433    HA   VAL  55           HA       VAL  55   1.239   5.801  -1.443
  434    HB   VAL  55           HB       VAL  55   0.632   2.899  -0.793
  435   1HG1  VAL  55          3HG1      VAL  55   2.247   4.548  -2.742
  436   2HG1  VAL  55          2HG1      VAL  55   2.527   2.789  -2.563
  437   3HG1  VAL  55          1HG1      VAL  55   0.955   3.433  -3.132
  438   1HG2  VAL  55          3HG2      VAL  55   3.239   4.353  -0.312
  439   2HG2  VAL  55          2HG2      VAL  55   2.266   3.472   0.890
  440   3HG2  VAL  55          1HG2      VAL  55   3.045   2.617  -0.418
  441    H    GLU  56           H        GLU  56  -0.308   6.662  -2.439
  442    HA   GLU  56           HA       GLU  56  -3.094   5.813  -2.429
  443   1HB   GLU  56          2HB       GLU  56  -2.651   8.235  -2.057
  444   2HB   GLU  56          1HB       GLU  56  -1.839   8.245  -3.637
  445   1HG   GLU  56          2HG       GLU  56  -3.944   7.645  -4.753
  446   2HG   GLU  56          1HG       GLU  56  -4.709   7.606  -3.160
  447    H    PHE  57           H        PHE  57  -3.524   4.343  -3.871
  448    HA   PHE  57           HA       PHE  57  -2.186   3.993  -6.479
  449   1HB   PHE  57          2HB       PHE  57  -3.374   2.250  -4.516
  450   2HB   PHE  57          1HB       PHE  57  -4.207   2.072  -6.029
  451    HD1  PHE  57           HD1      PHE  57  -2.830   2.017  -8.114
  452    HD2  PHE  57           HD2      PHE  57  -1.341   1.036  -4.242
  453    HE1  PHE  57           HE1      PHE  57  -1.093   0.704  -9.176
  454    HE2  PHE  57           HE2      PHE  57   0.454  -0.313  -5.273
  455    HZ   PHE  57           HZ       PHE  57   0.646  -0.526  -7.721
  456    H    ASP  58           H        ASP  58  -3.088   5.260  -7.959
  457    HA   ASP  58           HA       ASP  58  -5.189   6.672  -8.331
  458   1HB   ASP  58          2HB       ASP  58  -3.509   6.170 -10.042
  459   2HB   ASP  58          1HB       ASP  58  -4.430   4.743 -10.528
  460    H    ASN  59           H        ASN  59  -5.443   3.106  -8.755
  461    HA   ASN  59           HA       ASN  59  -8.278   3.424  -8.081
  462   1HB   ASN  59          2HB       ASN  59  -9.024   3.023 -10.176
  463   2HB   ASN  59          1HB       ASN  59  -7.357   3.089 -10.749
  464   1HD2  ASN  59          2HD2      ASN  59  -9.326  -0.262 -11.205
  465   2HD2  ASN  59          1HD2      ASN  59 -10.026   1.270 -11.111
  466    H    GLU  60           H        GLU  60  -9.197   1.753  -7.111
  467    HA   GLU  60           HA       GLU  60  -7.635   0.143  -5.454
  468   1HB   GLU  60          2HB       GLU  60  -9.898  -1.086  -5.088
  469   2HB   GLU  60          1HB       GLU  60  -9.701   0.613  -4.630
  470   1HG   GLU  60          2HG       GLU  60 -11.090   1.374  -6.378
  471   2HG   GLU  60          1HG       GLU  60 -10.691   0.011  -7.382
  472    H    VAL  61           H        VAL  61  -8.465  -0.707  -8.787
  473    HA   VAL  61           HA       VAL  61  -8.262  -3.566  -8.403
  474    HB   VAL  61           HB       VAL  61  -7.815  -1.901 -10.871
  475   1HG1  VAL  61          1HG1      VAL  61  -7.148  -4.524 -10.463
  476   2HG1  VAL  61          3HG1      VAL  61  -8.809  -4.687 -10.983
  477   3HG1  VAL  61          2HG1      VAL  61  -7.655  -3.823 -12.031
  478   1HG2  VAL  61          1HG2      VAL  61 -10.094  -1.705  -9.721
  479   2HG2  VAL  61          3HG2      VAL  61 -10.146  -2.319 -11.402
  480   3HG2  VAL  61          2HG2      VAL  61 -10.294  -3.440 -10.061
  481    H    GLN  62           H        GLN  62  -6.281  -0.852  -9.272
  482    HA   GLN  62           HA       GLN  62  -3.803  -2.450  -9.337
  483   1HB   GLN  62          2HB       GLN  62  -3.576   0.546  -9.185
  484   2HB   GLN  62          1HB       GLN  62  -2.590  -0.622 -10.007
  485   1HG   GLN  62          2HG       GLN  62  -3.663  -0.445 -11.936
  486   2HG   GLN  62          1HG       GLN  62  -5.158  -0.675 -11.164
  487   1HE2  GLN  62          1HE2      GLN  62  -4.997   2.939 -12.507
  488   2HE2  GLN  62          2HE2      GLN  62  -4.664   1.482 -13.299
  489    H    ALA  63           H        ALA  63  -5.456  -0.483  -6.897
  490    HA   ALA  63           HA       ALA  63  -3.173  -0.411  -5.154
  491   1HB   ALA  63          1HB       ALA  63  -5.685   0.844  -5.175
  492   2HB   ALA  63          3HB       ALA  63  -5.925  -0.422  -4.012
  493   3HB   ALA  63          2HB       ALA  63  -4.617   0.745  -3.744
  494    H    GLY  64           H        GLY  64  -5.964  -2.360  -5.730
  495   1HA   GLY  64          2HA       GLY  64  -5.564  -4.222  -3.641
  496   2HA   GLY  64          1HA       GLY  64  -6.612  -4.479  -5.043
  497    H    ALA  65           H        ALA  65  -4.528  -4.057  -7.025
  498    HA   ALA  65           HA       ALA  65  -3.511  -6.697  -7.350
  499   1HB   ALA  65          3HB       ALA  65  -3.884  -5.103  -9.215
  500   2HB   ALA  65          2HB       ALA  65  -2.519  -4.167  -8.648
  501   3HB   ALA  65          1HB       ALA  65  -2.262  -5.847  -9.219
  502    H    ALA  66           H        ALA  66  -1.784  -3.584  -6.829
  503    HA   ALA  66           HA       ALA  66   0.810  -4.631  -6.173
  504   1HB   ALA  66          1HB       ALA  66  -0.741  -2.131  -5.870
  505   2HB   ALA  66          3HB       ALA  66   0.576  -2.311  -4.745
  506   3HB   ALA  66          2HB       ALA  66   0.919  -2.304  -6.490
  507    H    ARG  67           H        ARG  67  -1.873  -3.642  -4.102
  508    HA   ARG  67           HA       ARG  67  -0.625  -4.137  -1.598
  509   1HB   ARG  67          2HB       ARG  67  -2.911  -2.993  -1.879
  510   2HB   ARG  67          1HB       ARG  67  -3.613  -4.595  -2.010
  511   1HG   ARG  67          2HG       ARG  67  -1.917  -3.608   0.318
  512   2HG   ARG  67          1HG       ARG  67  -3.661  -3.425   0.216
  513   1HD   ARG  67          2HD       ARG  67  -2.201  -6.134   0.269
  514   2HD   ARG  67          1HD       ARG  67  -3.043  -5.377   1.600
  515    HE   ARG  67           HE       ARG  67  -4.414  -6.446  -0.810
  516   1HH1  ARG  67          2HH1      ARG  67  -6.030  -4.388   0.283
  517   2HH1  ARG  67          1HH1      ARG  67  -6.932  -5.143   1.573
  518   1HH2  ARG  67          1HH2      ARG  67  -4.732  -7.860   1.720
  519   2HH2  ARG  67          2HH2      ARG  67  -6.150  -7.194   2.411
  520    H    ASP  68           H        ASP  68  -2.783  -6.397  -3.452
  521    HA   ASP  68           HA       ASP  68  -2.357  -8.590  -1.745
  522   1HB   ASP  68          2HB       ASP  68  -3.972  -8.186  -3.836
  523   2HB   ASP  68          1HB       ASP  68  -2.702  -9.046  -4.698
  524    H    ALA  69           H        ALA  69  -0.480  -7.419  -4.462
  525    HA   ALA  69           HA       ALA  69   1.296  -9.643  -4.833
  526   1HB   ALA  69          2HB       ALA  69   1.229  -6.807  -5.650
  527   2HB   ALA  69          1HB       ALA  69   2.837  -7.550  -5.543
  528   3HB   ALA  69          3HB       ALA  69   1.598  -8.248  -6.552
  529    H    LEU  70           H        LEU  70   1.514  -6.771  -2.819
  530    HA   LEU  70           HA       LEU  70   3.755  -8.054  -1.319
  531   1HB   LEU  70          2HB       LEU  70   4.756  -5.783  -0.985
  532   2HB   LEU  70          1HB       LEU  70   4.481  -6.076  -2.715
  533    HG   LEU  70           HG       LEU  70   2.088  -5.004  -1.642
  534   1HD1  LEU  70          3HD1      LEU  70   4.132  -4.032  -0.094
  535   2HD1  LEU  70          2HD1      LEU  70   4.144  -2.872  -1.418
  536   3HD1  LEU  70          1HD1      LEU  70   2.655  -3.107  -0.477
  537   1HD2  LEU  70          2HD2      LEU  70   3.136  -4.950  -3.961
  538   2HD2  LEU  70          1HD2      LEU  70   2.423  -3.460  -3.372
  539   3HD2  LEU  70          3HD2      LEU  70   4.191  -3.686  -3.390
  540    H    GLN  71           H        GLN  71   1.116  -8.454  -0.748
  541    HA   GLN  71           HA       GLN  71  -0.019  -6.681   1.194
  542   1HB   GLN  71          2HB       GLN  71  -1.381  -8.441  -0.092
  543   2HB   GLN  71          1HB       GLN  71  -0.551  -9.636   0.907
  544   1HG   GLN  71          2HG       GLN  71  -1.679  -7.471   2.497
  545   2HG   GLN  71          1HG       GLN  71  -2.889  -8.321   1.500
  546   1HE2  GLN  71          2HE2      GLN  71  -2.169 -11.471   3.234
  547   2HE2  GLN  71          1HE2      GLN  71  -2.343 -10.956   1.643
  548    H    GLY  72           H        GLY  72   2.477  -8.897   1.367
  549   1HA   GLY  72          2HA       GLY  72   2.843  -8.525   4.256
  550   2HA   GLY  72          1HA       GLY  72   2.519 -10.208   3.757
  551    H    PHE  73           H        PHE  73   4.112  -7.532   2.201
  552    HA   PHE  73           HA       PHE  73   6.130  -8.994   0.948
  553   1HB   PHE  73          2HB       PHE  73   5.572  -6.470   0.605
  554   2HB   PHE  73          1HB       PHE  73   6.575  -6.194   2.022
  555    HD1  PHE  73           HD1      PHE  73   8.912  -8.215   1.531
  556    HD2  PHE  73           HD2      PHE  73   6.834  -5.504  -1.069
  557    HE1  PHE  73           HE1      PHE  73  10.829  -8.103   0.122
  558    HE2  PHE  73           HE2      PHE  73   8.788  -5.382  -2.526
  559    HZ   PHE  73           HZ       PHE  73  10.838  -6.690  -1.951
  560    H    LYS  74           H        LYS  74   7.145 -10.425   2.093
  561    HA   LYS  74           HA       LYS  74   7.854 -10.535   4.834
  562   1HB   LYS  74          2HB       LYS  74   9.593 -12.132   4.122
  563   2HB   LYS  74          1HB       LYS  74   7.918 -12.523   3.984
  564   1HG   LYS  74          2HG       LYS  74   7.977 -12.654   1.678
  565   2HG   LYS  74          1HG       LYS  74   9.047 -11.256   1.514
  566   1HD   LYS  74          2HD       LYS  74  10.186 -13.270   0.706
  567   2HD   LYS  74          1HD       LYS  74  10.976 -12.778   2.202
  568   1HE   LYS  74          2HE       LYS  74   8.710 -14.429   2.848
  569   2HE   LYS  74          1HE       LYS  74   9.683 -15.216   1.582
  570   1HZ   LYS  74          1HZ       LYS  74  11.633 -14.506   3.041
  571   2HZ   LYS  74          3HZ       LYS  74  10.502 -14.373   4.292
  572   3HZ   LYS  74          2HZ       LYS  74  10.709 -15.874   3.546
  573    H    ILE  75           H        ILE  75   8.602  -7.876   4.487
  574    HA   ILE  75           HA       ILE  75  11.514  -7.912   4.330
  575    HB   ILE  75           HB       ILE  75   9.266  -6.254   5.380
  576   1HG1  ILE  75          2HG1      ILE  75  11.477  -5.090   3.658
  577   2HG1  ILE  75          1HG1      ILE  75  10.282  -6.203   2.936
  578   1HG2  ILE  75          1HG2      ILE  75  11.564  -6.282   6.864
  579   2HG2  ILE  75          3HG2      ILE  75  12.127  -5.301   5.559
  580   3HG2  ILE  75          2HG2      ILE  75  10.712  -4.755   6.519
  581   1HD1  ILE  75          3HD1      ILE  75   9.006  -4.210   4.553
  582   2HD1  ILE  75          2HD1      ILE  75  10.015  -3.466   3.298
  583   3HD1  ILE  75          1HD1      ILE  75   8.733  -4.632   2.851
  584    H    THR  76           H        THR  76   8.849  -8.837   6.105
  585    HA   THR  76           HA       THR  76   9.127  -9.413   8.794
  586    HB   THR  76           HB       THR  76   8.821 -11.168   6.473
  587    HG1  THR  76          1HG       THR  76   6.463 -11.032   6.951
  588   1HG2  THR  76          1HG2      THR  76   8.656 -11.379   9.472
  589   2HG2  THR  76          3HG2      THR  76   7.352 -12.163   8.678
  590   3HG2  THR  76          2HG2      THR  76   9.068 -12.573   8.296
  591    H    GLN  77           H        GLN  77  10.730 -10.525   6.009
  592    HA   GLN  77           HA       GLN  77  11.804 -12.811   7.072
  593   1HB   GLN  77          2HB       GLN  77  12.703 -12.951   4.916
  594   2HB   GLN  77          1HB       GLN  77  12.670 -11.177   4.716
  595   1HG   GLN  77          2HG       GLN  77  14.727 -10.894   5.800
  596   2HG   GLN  77          1HG       GLN  77  14.668 -12.539   6.425
  597   1HE2  GLN  77          1HE2      GLN  77  15.259 -13.697   2.851
  598   2HE2  GLN  77          2HE2      GLN  77  13.997 -13.958   3.915
  599    H    ASN  78           H        ASN  78  11.858  -9.742   7.586
  600    HA   ASN  78           HA       ASN  78  13.524  -9.502   9.982
  601   1HB   ASN  78          2HB       ASN  78  14.922  -9.208   7.739
  602   2HB   ASN  78          1HB       ASN  78  14.069  -7.697   7.651
  603   1HD2  ASN  78          1HD2      ASN  78  17.190  -8.098  10.266
  604   2HD2  ASN  78          2HD2      ASN  78  16.730  -9.370   9.249
  605    H    ASN  79           H        ASN  79  10.847  -9.327   9.160
  606    HA   ASN  79           HA       ASN  79   9.211  -7.904  10.123
  607   1HB   ASN  79          2HB       ASN  79  10.775  -5.955   8.512
  608   2HB   ASN  79          1HB       ASN  79   9.146  -5.533   8.898
  609   1HD2  ASN  79          2HD2      ASN  79  10.105  -5.473  12.598
  610   2HD2  ASN  79          1HD2      ASN  79   9.016  -6.388  11.693
  611    H    ALA  80           H        ALA  80   7.164  -8.371   9.227
  612    HA   ALA  80           HA       ALA  80   6.848  -8.475   6.349
  613   1HB   ALA  80          1HB       ALA  80   5.389  -9.517   8.543
  614   2HB   ALA  80          3HB       ALA  80   4.353  -8.231   7.842
  615   3HB   ALA  80          2HB       ALA  80   4.938  -9.542   6.870
  616    H    MET  81           H        MET  81   6.161  -6.920   5.111
  617    HA   MET  81           HA       MET  81   6.017  -4.369   6.412
  618   1HB   MET  81          2HB       MET  81   6.786  -3.887   4.243
  619   2HB   MET  81          1HB       MET  81   6.007  -5.321   3.630
  620   1HG   MET  81          2HG       MET  81   4.153  -4.267   2.890
  621   2HG   MET  81          1HG       MET  81   4.078  -3.145   4.248
  622   1HE   MET  81          1HE       MET  81   6.262  -4.259   1.376
  623   2HE   MET  81          3HE       MET  81   6.847  -2.739   0.650
  624   3HE   MET  81          2HE       MET  81   7.528  -3.308   2.162
  625    H    LYS  82           H        LYS  82   3.941  -2.969   6.836
  626    HA   LYS  82           HA       LYS  82   1.461  -4.499   6.285
  627   1HB   LYS  82          2HB       LYS  82   2.300  -3.361   8.964
  628   2HB   LYS  82          1HB       LYS  82   0.628  -3.806   8.515
  629   1HG   LYS  82          2HG       LYS  82   2.224  -5.940   7.725
  630   2HG   LYS  82          1HG       LYS  82   2.742  -5.462   9.348
  631   1HD   LYS  82          2HD       LYS  82   0.799  -7.122   9.333
  632   2HD   LYS  82          1HD       LYS  82   0.446  -5.593  10.125
  633   1HE   LYS  82          2HE       LYS  82  -0.933  -4.908   8.410
  634   2HE   LYS  82          1HE       LYS  82  -0.096  -5.906   7.190
  635   1HZ   LYS  82          1HZ       LYS  82  -1.853  -6.990   9.328
  636   2HZ   LYS  82          3HZ       LYS  82  -2.308  -6.681   7.709
  637   3HZ   LYS  82          2HZ       LYS  82  -1.119  -7.846   8.046
  638    H    ILE  83           H        ILE  83   0.387  -3.430   5.024
  639    HA   ILE  83           HA       ILE  83   0.221  -0.468   4.764
  640    HB   ILE  83           HB       ILE  83   0.369  -2.683   2.732
  641   1HG1  ILE  83          2HG1      ILE  83   2.013  -0.159   3.077
  642   2HG1  ILE  83          1HG1      ILE  83   2.485  -1.768   3.630
  643   1HG2  ILE  83          2HG2      ILE  83  -1.061  -0.114   2.645
  644   2HG2  ILE  83          1HG2      ILE  83   0.262  -0.125   1.475
  645   3HG2  ILE  83          3HG2      ILE  83  -0.966  -1.400   1.444
  646   1HD1  ILE  83          1HD1      ILE  83   1.574  -1.513   0.799
  647   2HD1  ILE  83          3HD1      ILE  83   3.197  -0.908   1.182
  648   3HD1  ILE  83          2HD1      ILE  83   2.757  -2.574   1.532
  649    H    SER  84           H        SER  84  -1.760   0.172   5.192
  650    HA   SER  84           HA       SER  84  -3.977  -1.754   5.229
  651   1HB   SER  84          2HB       SER  84  -3.038  -0.691   7.426
  652   2HB   SER  84          1HB       SER  84  -4.166   0.621   6.980
  653    HG   SER  84           HG       SER  84  -4.583  -1.919   7.875
  654    H    PHE  85           H        PHE  85  -5.111  -1.233   3.396
  655    HA   PHE  85           HA       PHE  85  -5.454   0.992   1.871
  656   1HB   PHE  85          2HB       PHE  85  -7.943   0.152   1.847
  657   2HB   PHE  85          1HB       PHE  85  -6.643  -0.897   1.251
  658    HD1  PHE  85           HD1      PHE  85  -8.686  -0.143   4.255
  659    HD2  PHE  85           HD2      PHE  85  -6.332  -3.040   2.167
  660    HE1  PHE  85           HE1      PHE  85  -9.392  -1.832   5.902
  661    HE2  PHE  85           HE2      PHE  85  -7.000  -4.725   3.765
  662    HZ   PHE  85           HZ       PHE  85  -8.539  -4.203   5.682
  663    H    ALA  86           H        ALA  86  -7.053   2.835   2.088
  664    HA   ALA  86           HA       ALA  86  -7.268   3.954   4.664
  665   1HB   ALA  86          3HB       ALA  86  -8.004   4.615   1.920
  666   2HB   ALA  86          2HB       ALA  86  -9.048   5.390   3.121
  667   3HB   ALA  86          1HB       ALA  86  -7.280   5.645   3.110
  668    H    LYS  87           H        LYS  87  -8.270   2.124   5.722
  669    HA   LYS  87           HA       LYS  87 -11.014   1.362   5.259
  670   1HB   LYS  87          2HB       LYS  87 -10.549  -0.214   6.923
  671   2HB   LYS  87          1HB       LYS  87  -8.896   0.302   6.506
  672   1HG   LYS  87          2HG       LYS  87  -8.938   2.034   8.251
  673   2HG   LYS  87          1HG       LYS  87 -10.551   1.455   8.720
  674   1HD   LYS  87          2HD       LYS  87  -8.696  -0.753   8.592
  675   2HD   LYS  87          1HD       LYS  87  -8.021   0.535   9.603
  676   1HE   LYS  87          2HE       LYS  87 -10.487   0.550  10.615
  677   2HE   LYS  87          1HE       LYS  87 -10.475  -1.102  10.057
  678   1HZ   LYS  87          2HZ       LYS  87  -8.328  -1.433  11.220
  679   2HZ   LYS  87          1HZ       LYS  87  -8.387   0.148  11.755
  680   3HZ   LYS  87          3HZ       LYS  87  -9.597  -0.958  12.264
  681    H    LYS  88           H        LYS  88 -12.807   1.993   6.502
  682    HA   LYS  88           HA       LYS  88 -12.491   4.590   7.836
  683   1HB   LYS  88          2HB       LYS  88 -14.087   4.607   5.964
  684   2HB   LYS  88          1HB       LYS  88 -14.889   3.188   6.589
  685   1HG   LYS  88          2HG       LYS  88 -16.119   5.350   7.213
  686   2HG   LYS  88          1HG       LYS  88 -15.655   4.414   8.602
  687   1HD   LYS  88          2HD       LYS  88 -14.028   5.837   9.256
  688   2HD   LYS  88          1HD       LYS  88 -13.601   6.297   7.582
  689   1HE   LYS  88          2HE       LYS  88 -14.642   8.191   8.293
  690   2HE   LYS  88          1HE       LYS  88 -16.030   7.363   7.614
  691   1HZ   LYS  88          2HZ       LYS  88 -15.358   6.709  10.353
  692   2HZ   LYS  88          1HZ       LYS  88 -16.028   8.262  10.131
  693   3HZ   LYS  88          3HZ       LYS  88 -16.904   6.927   9.619
   
  No H/Q in entry =         693
  Start of MODEL   20
    1   1H    MET   1          2H        MET   1 -34.855  -1.754   5.164
    2   2H    MET   1          1H        MET   1 -36.156  -1.391   6.236
    3   3H    MET   1          3H        MET   1 -35.573  -0.219   5.177
    4    HA   MET   1           HA       MET   1 -34.696   0.171   7.438
    5   1HB   MET   1          2HB       MET   1 -34.019  -2.730   7.024
    6   2HB   MET   1          1HB       MET   1 -33.147  -1.771   8.219
    7   1HG   MET   1          2HG       MET   1 -35.363  -1.294   9.338
    8   2HG   MET   1          1HG       MET   1 -36.160  -2.231   8.056
    9   1HE   MET   1          1HE       MET   1 -35.397  -2.123  11.430
   10   2HE   MET   1          3HE       MET   1 -36.829  -3.054  10.960
   11   3HE   MET   1          2HE       MET   1 -35.503  -3.802  11.897
   12    H    ALA   2           H        ALA   2 -32.226   0.111   7.955
   13    HA   ALA   2           HA       ALA   2 -30.939   1.510   5.888
   14   1HB   ALA   2          1HB       ALA   2 -30.344   1.759   8.272
   15   2HB   ALA   2          3HB       ALA   2 -29.636   0.120   8.249
   16   3HB   ALA   2          2HB       ALA   2 -28.905   1.415   7.348
   17    HA   PRO   3           HA       PRO   3 -29.248  -2.045   3.729
   18   1HB   PRO   3          2HB       PRO   3 -28.856  -0.839   1.384
   19   2HB   PRO   3          1HB       PRO   3 -30.508  -0.827   2.075
   20   1HG   PRO   3          2HG       PRO   3 -28.420   1.404   2.097
   21   2HG   PRO   3          1HG       PRO   3 -30.161   1.534   1.788
   22   1HD   PRO   3          2HD       PRO   3 -28.906   1.932   4.302
   23   2HD   PRO   3          1HD       PRO   3 -30.645   1.695   4.007
   24    H    ALA   4           H        ALA   4 -27.512  -0.059   5.457
   25    HA   ALA   4           HA       ALA   4 -25.266   0.245   5.822
   26   1HB   ALA   4          2HB       ALA   4 -25.419  -2.243   4.619
   27   2HB   ALA   4          1HB       ALA   4 -24.309  -1.401   3.561
   28   3HB   ALA   4          3HB       ALA   4 -23.958  -1.560   5.277
   29    H    GLN   5           H        GLN   5 -23.119   0.712   4.395
   30    HA   GLN   5           HA       GLN   5 -23.782   2.975   2.699
   31   1HB   GLN   5          2HB       GLN   5 -21.746   2.631   4.456
   32   2HB   GLN   5          1HB       GLN   5 -20.941   2.208   2.927
   33   1HG   GLN   5          2HG       GLN   5 -22.041   4.274   1.971
   34   2HG   GLN   5          1HG       GLN   5 -22.318   4.798   3.646
   35   1HE2  GLN   5          1HE2      GLN   5 -18.925   5.544   4.272
   36   2HE2  GLN   5          2HE2      GLN   5 -20.506   5.395   4.938
   37    HA   PRO   6           HA       PRO   6 -22.052   0.235  -0.751
   38   1HB   PRO   6          2HB       PRO   6 -19.864  -1.295  -0.227
   39   2HB   PRO   6          1HB       PRO   6 -19.762   0.485  -0.115
   40   1HG   PRO   6          2HG       PRO   6 -19.621  -1.455   2.056
   41   2HG   PRO   6          1HG       PRO   6 -19.335   0.277   2.106
   42   1HD   PRO   6          2HD       PRO   6 -21.848  -1.188   2.671
   43   2HD   PRO   6          1HD       PRO   6 -21.240   0.373   3.320
   44    H    LEU   7           H        LEU   7 -21.147  -2.276  -1.285
   45    HA   LEU   7           HA       LEU   7 -23.059  -4.174   0.061
   46   1HB   LEU   7          2HB       LEU   7 -23.073  -3.355  -2.643
   47   2HB   LEU   7          1HB       LEU   7 -22.515  -5.025  -2.585
   48    HG   LEU   7           HG       LEU   7 -24.913  -4.327  -0.916
   49   1HD1  LEU   7          1HD1      LEU   7 -24.852  -4.374  -3.932
   50   2HD1  LEU   7          3HD1      LEU   7 -26.281  -4.888  -3.040
   51   3HD1  LEU   7          2HD1      LEU   7 -25.661  -3.266  -2.823
   52   1HD2  LEU   7          3HD2      LEU   7 -23.686  -6.644  -1.198
   53   2HD2  LEU   7          2HD2      LEU   7 -25.428  -6.538  -1.076
   54   3HD2  LEU   7          1HD2      LEU   7 -24.687  -6.685  -2.683
   55    H    SER   8           H        SER   8 -22.234  -6.004   0.696
   56    HA   SER   8           HA       SER   8 -20.712  -7.603   1.318
   57   1HB   SER   8          2HB       SER   8 -21.022  -8.398  -0.945
   58   2HB   SER   8          1HB       SER   8 -19.880  -7.218  -1.598
   59    HG   SER   8           HG       SER   8 -19.317  -9.611  -0.854
   60    H    GLU   9           H        GLU   9 -18.183  -6.377  -0.819
   61    HA   GLU   9           HA       GLU   9 -16.714  -5.633   1.662
   62   1HB   GLU   9          2HB       GLU   9 -15.397  -5.883  -1.057
   63   2HB   GLU   9          1HB       GLU   9 -14.715  -6.025   0.550
   64   1HG   GLU   9          2HG       GLU   9 -15.727  -8.262   0.811
   65   2HG   GLU   9          1HG       GLU   9 -16.764  -7.967  -0.594
   66    H    ASN  10           H        ASN  10 -15.480  -3.750   1.682
   67    HA   ASN  10           HA       ASN  10 -16.847  -1.417   0.722
   68   1HB   ASN  10          2HB       ASN  10 -14.507  -0.323   1.199
   69   2HB   ASN  10          1HB       ASN  10 -15.438  -0.924   2.592
   70   1HD2  ASN  10          1HD2      ASN  10 -11.768  -2.177   2.156
   71   2HD2  ASN  10          2HD2      ASN  10 -12.399  -0.692   1.660
   72    HA   PRO  11           HA       PRO  11 -15.766  -0.631  -3.442
   73   1HB   PRO  11          2HB       PRO  11 -14.210   1.722  -2.355
   74   2HB   PRO  11          1HB       PRO  11 -15.386   1.642  -3.693
   75   1HG   PRO  11          2HG       PRO  11 -16.093   2.566  -1.261
   76   2HG   PRO  11          1HG       PRO  11 -17.237   1.607  -2.255
   77   1HD   PRO  11          2HD       PRO  11 -15.783   0.759   0.219
   78   2HD   PRO  11          1HD       PRO  11 -17.305   0.190  -0.456
   79    HA   PRO  12           HA       PRO  12 -11.755  -2.399  -4.101
   80   1HB   PRO  12          2HB       PRO  12 -11.045  -0.890  -6.453
   81   2HB   PRO  12          1HB       PRO  12 -11.848  -2.501  -6.414
   82   1HG   PRO  12          2HG       PRO  12 -13.023   0.222  -6.726
   83   2HG   PRO  12          1HG       PRO  12 -13.549  -1.330  -7.371
   84   1HD   PRO  12          2HD       PRO  12 -14.849   0.001  -5.334
   85   2HD   PRO  12          1HD       PRO  12 -14.829  -1.804  -5.374
   86    H    ASN  13           H        ASN  13  -9.855  -1.735  -3.115
   87    HA   ASN  13           HA       ASN  13  -9.517   1.216  -2.787
   88   1HB   ASN  13          2HB       ASN  13  -7.688  -0.071  -1.140
   89   2HB   ASN  13          1HB       ASN  13  -9.130   0.872  -0.691
   90   1HD2  ASN  13          2HD2      ASN  13 -10.882  -2.039   0.316
   91   2HD2  ASN  13          1HD2      ASN  13 -10.777  -0.319   0.345
   92    H    HIS  14           H        HIS  14  -8.379   2.028  -4.257
   93    HA   HIS  14           HA       HIS  14  -5.908   0.771  -5.303
   94   1HB   HIS  14          2HB       HIS  14  -6.181   3.348  -6.456
   95   2HB   HIS  14          1HB       HIS  14  -6.527   1.814  -7.251
   96    HD1  HIS  14           HD1      HIS  14  -9.083   0.899  -6.855
   97    HD2  HIS  14           HD2      HIS  14  -8.466   4.921  -6.129
   98    HE1  HIS  14           HE1      HIS  14 -11.358   2.012  -6.887
   99    HE2  HIS  14           HE2      HIS  14 -11.044   4.448  -6.440
  100    H    ILE  15           H        ILE  15  -6.191   1.831  -2.504
  101    HA   ILE  15           HA       ILE  15  -3.867   3.657  -2.438
  102    HB   ILE  15           HB       ILE  15  -6.505   4.347  -1.169
  103   1HG1  ILE  15          2HG1      ILE  15  -4.209   5.819  -2.555
  104   2HG1  ILE  15          1HG1      ILE  15  -5.780   5.470  -3.290
  105   1HG2  ILE  15          1HG2      ILE  15  -3.744   4.519  -0.049
  106   2HG2  ILE  15          3HG2      ILE  15  -4.656   5.994   0.027
  107   3HG2  ILE  15          2HG2      ILE  15  -5.286   4.504   0.753
  108   1HD1  ILE  15          3HD1      ILE  15  -6.213   6.865  -0.857
  109   2HD1  ILE  15          2HD1      ILE  15  -4.950   7.714  -1.738
  110   3HD1  ILE  15          1HD1      ILE  15  -6.512   7.416  -2.520
  111    H    LEU  16           H        LEU  16  -2.436   2.426  -1.298
  112    HA   LEU  16           HA       LEU  16  -3.430   0.878   1.025
  113   1HB   LEU  16          2HB       LEU  16  -1.135   0.289  -0.938
  114   2HB   LEU  16          1HB       LEU  16  -1.566  -0.667   0.479
  115    HG   LEU  16           HG       LEU  16  -3.947  -0.593  -0.569
  116   1HD1  LEU  16          3HD1      LEU  16  -2.968   0.603  -2.654
  117   2HD1  LEU  16          2HD1      LEU  16  -2.163  -0.934  -2.995
  118   3HD1  LEU  16          1HD1      LEU  16  -3.950  -0.827  -2.956
  119   1HD2  LEU  16          3HD2      LEU  16  -1.579  -2.398  -0.574
  120   2HD2  LEU  16          2HD2      LEU  16  -3.220  -2.712  -0.056
  121   3HD2  LEU  16          1HD2      LEU  16  -2.804  -2.804  -1.781
  122    H    PHE  17           H        PHE  17  -2.935   1.820   2.750
  123    HA   PHE  17           HA       PHE  17  -0.422   3.274   3.147
  124   1HB   PHE  17          2HB       PHE  17  -1.924   5.019   3.312
  125   2HB   PHE  17          1HB       PHE  17  -3.197   3.995   4.007
  126    HD1  PHE  17           HD2      PHE  17   0.308   5.024   4.843
  127    HD2  PHE  17           HD1      PHE  17  -3.622   4.051   6.360
  128    HE1  PHE  17           HE2      PHE  17   1.059   5.503   7.199
  129    HE2  PHE  17           HE1      PHE  17  -2.881   4.510   8.617
  130    HZ   PHE  17           HZ       PHE  17  -0.517   5.241   9.041
  131    H    LEU  18           H        LEU  18   0.654   2.648   4.793
  132    HA   LEU  18           HA       LEU  18  -0.131   1.877   7.218
  133   1HB   LEU  18          2HB       LEU  18  -1.382  -0.031   6.305
  134   2HB   LEU  18          1HB       LEU  18   0.101  -0.873   6.109
  135    HG   LEU  18           HG       LEU  18   0.085   0.510   8.655
  136   1HD1  LEU  18          1HD1      LEU  18  -2.411   0.525   7.882
  137   2HD1  LEU  18          3HD1      LEU  18  -2.395  -1.075   8.620
  138   3HD1  LEU  18          2HD1      LEU  18  -1.932   0.375   9.549
  139   1HD2  LEU  18          2HD2      LEU  18  -0.237  -2.417   7.837
  140   2HD2  LEU  18          1HD2      LEU  18   1.047  -1.606   8.793
  141   3HD2  LEU  18          3HD2      LEU  18  -0.582  -1.916   9.462
  142    H    THR  19           H        THR  19   1.734   0.005   7.849
  143    HA   THR  19           HA       THR  19   4.234   1.394   7.168
  144    HB   THR  19           HB       THR  19   3.598   2.868   8.957
  145    HG1  THR  19          1HG       THR  19   4.195   1.072  10.881
  146   1HG2  THR  19          1HG2      THR  19   2.115   0.487   9.994
  147   2HG2  THR  19          3HG2      THR  19   2.250   1.957  10.919
  148   3HG2  THR  19          2HG2      THR  19   1.425   1.998   9.385
  149    H    ASN  20           H        ASN  20   5.799   0.426   8.750
  150    HA   ASN  20           HA       ASN  20   6.413  -1.297  10.185
  151   1HB   ASN  20          2HB       ASN  20   4.340  -2.740   9.805
  152   2HB   ASN  20          1HB       ASN  20   5.178  -3.391   8.358
  153   1HD2  ASN  20          2HD2      ASN  20   5.971  -5.177  11.670
  154   2HD2  ASN  20          1HD2      ASN  20   4.493  -4.460  11.213
  155    H    LEU  21           H        LEU  21   7.676   0.329   8.472
  156    HA   LEU  21           HA       LEU  21   9.282  -1.409   6.705
  157   1HB   LEU  21          2HB       LEU  21   9.844   1.330   6.371
  158   2HB   LEU  21          1HB       LEU  21   9.260   0.159   5.221
  159    HG   LEU  21           HG       LEU  21   7.454   1.723   7.188
  160   1HD1  LEU  21          1HD1      LEU  21   7.810   2.018   4.226
  161   2HD1  LEU  21          3HD1      LEU  21   6.476   2.674   5.157
  162   3HD1  LEU  21          2HD1      LEU  21   8.074   3.262   5.490
  163   1HD2  LEU  21          1HD2      LEU  21   7.000  -0.794   6.029
  164   2HD2  LEU  21          3HD2      LEU  21   5.735   0.404   6.371
  165   3HD2  LEU  21          2HD2      LEU  21   6.448   0.281   4.772
  166    HA   PRO  22           HA       PRO  22  12.840  -0.944   9.420
  167   1HB   PRO  22          2HB       PRO  22  14.710  -0.774   7.394
  168   2HB   PRO  22          1HB       PRO  22  14.063  -2.269   8.036
  169   1HG   PRO  22          2HG       PRO  22  13.525  -1.084   5.386
  170   2HG   PRO  22          1HG       PRO  22  13.386  -2.755   6.001
  171   1HD   PRO  22          2HD       PRO  22  11.184  -0.950   5.680
  172   2HD   PRO  22          1HD       PRO  22  11.152  -2.409   6.652
  173    H    GLU  23           H        GLU  23  15.099   0.488   8.859
  174    HA   GLU  23           HA       GLU  23  14.270   3.360   8.968
  175   1HB   GLU  23          2HB       GLU  23  15.440   2.292  10.929
  176   2HB   GLU  23          1HB       GLU  23  16.847   2.072   9.886
  177   1HG   GLU  23          2HG       GLU  23  15.765   4.746   9.711
  178   2HG   GLU  23          1HG       GLU  23  16.210   4.385  11.361
  179    H    GLU  24           H        GLU  24  15.605   1.219   6.671
  180    HA   GLU  24           HA       GLU  24  17.316   3.350   5.523
  181   1HB   GLU  24          2HB       GLU  24  17.081   0.440   4.738
  182   2HB   GLU  24          1HB       GLU  24  18.339   1.565   4.233
  183   1HG   GLU  24          2HG       GLU  24  18.475   1.839   6.948
  184   2HG   GLU  24          1HG       GLU  24  18.053   0.112   6.773
  185    H    THR  25           H        THR  25  14.253   1.996   5.244
  186    HA   THR  25           HA       THR  25  13.776   2.011   2.476
  187    HB   THR  25           HB       THR  25  11.390   2.764   3.189
  188    HG1  THR  25          1HG       THR  25  11.264   2.570   5.586
  189   1HG2  THR  25          2HG2      THR  25  12.378   0.271   3.198
  190   2HG2  THR  25          1HG2      THR  25  12.332   0.487   4.940
  191   3HG2  THR  25          3HG2      THR  25  10.832   0.631   3.992
  192    H    ASN  26           H        ASN  26  12.795   3.683   1.130
  193    HA   ASN  26           HA       ASN  26  12.744   6.383   2.255
  194   1HB   ASN  26          2HB       ASN  26  14.498   7.426   1.008
  195   2HB   ASN  26          1HB       ASN  26  15.174   5.968   1.737
  196   1HD2  ASN  26          1HD2      ASN  26  16.207   4.611  -1.290
  197   2HD2  ASN  26          2HD2      ASN  26  16.314   4.643   0.404
  198    H    GLU  27           H        GLU  27  12.523   8.024   0.355
  199    HA   GLU  27           HA       GLU  27  10.003   7.289  -0.834
  200   1HB   GLU  27          2HB       GLU  27  10.541   9.636  -2.086
  201   2HB   GLU  27          1HB       GLU  27   9.640   9.406  -0.576
  202   1HG   GLU  27          2HG       GLU  27  11.655   9.767   0.719
  203   2HG   GLU  27          1HG       GLU  27  12.640   9.935  -0.762
  204    H    LEU  28           H        LEU  28  13.256   7.708  -2.479
  205    HA   LEU  28           HA       LEU  28  12.055   7.435  -5.077
  206   1HB   LEU  28          2HB       LEU  28  14.189   7.565  -6.002
  207   2HB   LEU  28          1HB       LEU  28  14.254   8.557  -4.536
  208    HG   LEU  28           HG       LEU  28  14.996   5.969  -3.684
  209   1HD1  LEU  28          1HD1      LEU  28  15.149   5.721  -6.374
  210   2HD1  LEU  28          3HD1      LEU  28  16.734   6.362  -6.043
  211   3HD1  LEU  28          2HD1      LEU  28  16.196   4.914  -5.192
  212   1HD2  LEU  28          2HD2      LEU  28  16.166   8.609  -3.967
  213   2HD2  LEU  28          1HD2      LEU  28  16.426   7.394  -2.745
  214   3HD2  LEU  28          3HD2      LEU  28  17.367   7.351  -4.260
  215    H    MET  29           H        MET  29  13.120   5.434  -2.511
  216    HA   MET  29           HA       MET  29  13.618   2.966  -3.849
  217   1HB   MET  29          2HB       MET  29  14.183   3.819  -1.470
  218   2HB   MET  29          1HB       MET  29  12.601   3.268  -1.018
  219   1HG   MET  29          2HG       MET  29  13.294   1.053  -1.091
  220   2HG   MET  29          1HG       MET  29  14.210   1.305  -2.592
  221   1HE   MET  29          1HE       MET  29  15.759  -0.201  -1.960
  222   2HE   MET  29          3HE       MET  29  17.160   0.080  -0.916
  223   3HE   MET  29          2HE       MET  29  15.695  -0.536  -0.211
  224    H    LEU  30           H        LEU  30  10.991   4.106  -1.782
  225    HA   LEU  30           HA       LEU  30   9.067   2.133  -2.308
  226   1HB   LEU  30          2HB       LEU  30   9.114   4.905  -1.201
  227   2HB   LEU  30          1HB       LEU  30   7.530   4.267  -1.666
  228    HG   LEU  30           HG       LEU  30   8.214   3.886   0.695
  229   1HD1  LEU  30          2HD1      LEU  30   7.132   2.043  -1.259
  230   2HD1  LEU  30          1HD1      LEU  30   7.719   1.209   0.163
  231   3HD1  LEU  30          3HD1      LEU  30   6.458   2.468   0.331
  232   1HD2  LEU  30          3HD2      LEU  30  10.587   3.176   0.281
  233   2HD2  LEU  30          2HD2      LEU  30   9.660   1.994   1.188
  234   3HD2  LEU  30          1HD2      LEU  30   9.946   1.718  -0.534
  235    H    SER  31           H        SER  31   9.869   5.155  -3.798
  236    HA   SER  31           HA       SER  31   7.692   5.515  -5.607
  237   1HB   SER  31          2HB       SER  31  10.516   6.456  -5.552
  238   2HB   SER  31          1HB       SER  31   9.513   6.823  -6.951
  239    HG   SER  31           HG       SER  31   8.133   7.985  -5.723
  240    H    MET  32           H        MET  32  10.873   3.883  -5.948
  241    HA   MET  32           HA       MET  32  10.590   3.213  -8.763
  242   1HB   MET  32          2HB       MET  32  12.326   2.575  -6.476
  243   2HB   MET  32          1HB       MET  32  12.259   1.360  -7.721
  244   1HG   MET  32          2HG       MET  32  12.643   3.300  -9.361
  245   2HG   MET  32          1HG       MET  32  13.108   4.233  -7.901
  246   1HE   MET  32          3HE       MET  32  14.569   3.426  -6.155
  247   2HE   MET  32          2HE       MET  32  14.511   1.660  -6.161
  248   3HE   MET  32          1HE       MET  32  16.057   2.459  -6.364
  249    H    LEU  33           H        LEU  33   9.965   1.533  -5.696
  250    HA   LEU  33           HA       LEU  33   9.396  -1.107  -6.722
  251   1HB   LEU  33          2HB       LEU  33   9.256   0.393  -4.137
  252   2HB   LEU  33          1HB       LEU  33   8.067  -0.878  -4.325
  253    HG   LEU  33           HG       LEU  33  11.086  -1.132  -4.551
  254   1HD1  LEU  33          2HD1      LEU  33   9.074  -1.904  -2.385
  255   2HD1  LEU  33          1HD1      LEU  33  10.701  -2.557  -2.463
  256   3HD1  LEU  33          3HD1      LEU  33  10.464  -0.814  -2.247
  257   1HD2  LEU  33          2HD2      LEU  33   9.152  -2.752  -5.693
  258   2HD2  LEU  33          1HD2      LEU  33  10.807  -3.271  -5.241
  259   3HD2  LEU  33          3HD2      LEU  33   9.429  -3.570  -4.164
  260    H    PHE  34           H        PHE  34   7.701   1.767  -5.787
  261    HA   PHE  34           HA       PHE  34   5.146   0.501  -6.459
  262   1HB   PHE  34          2HB       PHE  34   5.730   3.319  -5.445
  263   2HB   PHE  34          1HB       PHE  34   4.151   2.872  -6.021
  264    HD1  PHE  34           HD1      PHE  34   3.665   0.156  -5.326
  265    HD2  PHE  34           HD2      PHE  34   5.715   3.123  -2.988
  266    HE1  PHE  34           HE1      PHE  34   3.093  -1.074  -3.405
  267    HE2  PHE  34           HE2      PHE  34   5.103   1.813  -0.951
  268    HZ   PHE  34           HZ       PHE  34   3.847  -0.215  -1.077
  269    H    ASN  35           H        ASN  35   7.519   2.377  -8.016
  270    HA   ASN  35           HA       ASN  35   6.095   3.343 -10.260
  271   1HB   ASN  35          2HB       ASN  35   8.155   4.209 -10.445
  272   2HB   ASN  35          1HB       ASN  35   8.880   2.866  -9.527
  273   1HD2  ASN  35          1HD2      ASN  35   8.466   2.301 -13.600
  274   2HD2  ASN  35          2HD2      ASN  35   7.379   3.374 -12.816
  275    H    GLN  36           H        GLN  36   7.648   0.343  -9.460
  276    HA   GLN  36           HA       GLN  36   7.668  -1.257 -11.651
  277   1HB   GLN  36          2HB       GLN  36   6.295  -1.710  -9.021
  278   2HB   GLN  36          1HB       GLN  36   6.373  -3.032 -10.131
  279   1HG   GLN  36          2HG       GLN  36   8.912  -1.536  -9.330
  280   2HG   GLN  36          1HG       GLN  36   8.287  -2.838  -8.343
  281   1HE2  GLN  36          1HE2      GLN  36  10.505  -4.745 -10.453
  282   2HE2  GLN  36          2HE2      GLN  36  10.509  -3.850  -9.026
  283    H    PHE  37           H        PHE  37   4.831  -0.032 -10.118
  284    HA   PHE  37           HA       PHE  37   2.809  -1.321 -11.740
  285   1HB   PHE  37          2HB       PHE  37   2.493   0.614  -9.496
  286   2HB   PHE  37          1HB       PHE  37   1.324  -0.620 -10.007
  287    HD1  PHE  37           HD2      PHE  37   3.026  -2.848 -10.589
  288    HD2  PHE  37           HD1      PHE  37   3.399  -0.077  -7.332
  289    HE1  PHE  37           HE2      PHE  37   4.287  -4.572  -9.365
  290    HE2  PHE  37           HE1      PHE  37   4.657  -1.777  -6.082
  291    HZ   PHE  37           HZ       PHE  37   5.136  -4.000  -7.021
  292    HA   PRO  38           HA       PRO  38   2.664   2.140 -14.694
  293   1HB   PRO  38          2HB       PRO  38   0.302   1.413 -15.827
  294   2HB   PRO  38          1HB       PRO  38   1.870   0.791 -16.297
  295   1HG   PRO  38          2HG       PRO  38  -0.234  -0.508 -14.607
  296   2HG   PRO  38          1HG       PRO  38   0.873  -1.275 -15.759
  297   1HD   PRO  38          2HD       PRO  38   1.319  -1.337 -13.042
  298   2HD   PRO  38          1HD       PRO  38   2.700  -1.253 -14.171
  299    H    GLY  39           H        GLY  39   0.277   1.327 -12.364
  300   1HA   GLY  39          2HA       GLY  39  -1.208   3.851 -12.831
  301   2HA   GLY  39          1HA       GLY  39  -1.710   2.609 -11.674
  302    H    PHE  40           H        PHE  40   1.530   3.191 -11.495
  303    HA   PHE  40           HA       PHE  40   1.635   3.971  -8.750
  304   1HB   PHE  40          2HB       PHE  40   3.675   3.388  -9.843
  305   2HB   PHE  40          1HB       PHE  40   3.385   4.503 -11.165
  306    HD1  PHE  40           HD1      PHE  40   2.884   5.311  -7.627
  307    HD2  PHE  40           HD2      PHE  40   5.535   5.789 -10.962
  308    HE1  PHE  40           HE1      PHE  40   4.153   7.051  -6.368
  309    HE2  PHE  40           HE2      PHE  40   6.753   7.463  -9.760
  310    HZ   PHE  40           HZ       PHE  40   6.120   8.147  -7.458
  311    H    LYS  41           H        LYS  41   0.554   5.677  -7.870
  312    HA   LYS  41           HA       LYS  41   0.536   8.210  -9.485
  313   1HB   LYS  41          2HB       LYS  41  -1.608   8.020  -9.441
  314   2HB   LYS  41          1HB       LYS  41  -1.612   6.701  -8.318
  315   1HG   LYS  41          2HG       LYS  41  -2.835   8.551  -7.388
  316   2HG   LYS  41          1HG       LYS  41  -1.365   8.399  -6.429
  317   1HD   LYS  41          2HD       LYS  41  -0.860  10.552  -6.920
  318   2HD   LYS  41          1HD       LYS  41  -0.824  10.122  -8.627
  319   1HE   LYS  41          2HE       LYS  41  -3.553  10.174  -8.113
  320   2HE   LYS  41          1HE       LYS  41  -2.970  11.430  -7.042
  321   1HZ   LYS  41          3HZ       LYS  41  -1.726  12.332  -9.005
  322   2HZ   LYS  41          2HZ       LYS  41  -2.656  11.253  -9.968
  323   3HZ   LYS  41          1HZ       LYS  41  -3.381  12.536  -9.088
  324    H    GLU  42           H        GLU  42   0.469   7.101  -6.142
  325    HA   GLU  42           HA       GLU  42   2.193   9.412  -5.438
  326   1HB   GLU  42          2HB       GLU  42  -0.596   9.319  -4.730
  327   2HB   GLU  42          1HB       GLU  42   0.426   9.353  -3.278
  328   1HG   GLU  42          2HG       GLU  42   1.175  11.149  -5.554
  329   2HG   GLU  42          1HG       GLU  42  -0.347  11.517  -4.782
  330    H    VAL  43           H        VAL  43   3.473   9.127  -3.805
  331    HA   VAL  43           HA       VAL  43   3.521   6.635  -2.275
  332    HB   VAL  43           HB       VAL  43   6.033   6.468  -2.700
  333   1HG1  VAL  43          2HG1      VAL  43   3.979   5.821  -4.850
  334   2HG1  VAL  43          1HG1      VAL  43   5.597   5.145  -4.754
  335   3HG1  VAL  43          3HG1      VAL  43   4.441   4.864  -3.449
  336   1HG2  VAL  43          1HG2      VAL  43   5.427   8.802  -4.141
  337   2HG2  VAL  43          3HG2      VAL  43   6.938   7.933  -4.113
  338   3HG2  VAL  43          2HG2      VAL  43   5.753   7.565  -5.393
  339    H    ARG  44           H        ARG  44   3.768   7.148  -0.276
  340    HA   ARG  44           HA       ARG  44   4.903   9.733   0.590
  341   1HB   ARG  44          2HB       ARG  44   2.256   8.990   0.881
  342   2HB   ARG  44          1HB       ARG  44   2.933   8.367   2.354
  343   1HG   ARG  44          2HG       ARG  44   2.619  10.460   3.120
  344   2HG   ARG  44          1HG       ARG  44   4.100  10.834   2.228
  345   1HD   ARG  44          2HD       ARG  44   1.241  11.087   1.295
  346   2HD   ARG  44          1HD       ARG  44   2.423  12.395   1.452
  347    HE   ARG  44           HE       ARG  44   2.704  10.141  -0.526
  348   1HH1  ARG  44          1HH2      ARG  44   4.931  11.056  -1.193
  349   2HH1  ARG  44          2HH2      ARG  44   4.794  12.621  -1.964
  350   1HH2  ARG  44          1HH1      ARG  44   1.591  13.212  -0.801
  351   2HH2  ARG  44          2HH1      ARG  44   2.906  13.799  -1.718
  352    H    LEU  45           H        LEU  45   6.882   8.852   0.869
  353    HA   LEU  45           HA       LEU  45   7.251   7.270   3.283
  354   1HB   LEU  45          2HB       LEU  45   7.466   5.849   1.115
  355   2HB   LEU  45          1HB       LEU  45   8.855   6.794   0.697
  356    HG   LEU  45           HG       LEU  45   9.505   4.748   1.778
  357   1HD1  LEU  45          1HD1      LEU  45  10.812   6.807   2.348
  358   2HD1  LEU  45          3HD1      LEU  45   9.912   6.900   3.887
  359   3HD1  LEU  45          2HD1      LEU  45  10.942   5.525   3.531
  360   1HD2  LEU  45          1HD2      LEU  45   7.202   5.187   3.345
  361   2HD2  LEU  45          3HD2      LEU  45   8.336   3.832   3.503
  362   3HD2  LEU  45          2HD2      LEU  45   8.563   5.285   4.481
  363    H    VAL  46           H        VAL  46   8.057   9.420   4.232
  364    HA   VAL  46           HA       VAL  46  10.314  10.619   2.670
  365    HB   VAL  46           HB       VAL  46   8.671  11.652   5.002
  366   1HG1  VAL  46          2HG1      VAL  46  11.108  12.701   3.671
  367   2HG1  VAL  46          1HG1      VAL  46   9.850  13.875   3.942
  368   3HG1  VAL  46          3HG1      VAL  46  10.506  12.961   5.296
  369   1HG2  VAL  46          3HG2      VAL  46   7.450  11.415   2.855
  370   2HG2  VAL  46          2HG2      VAL  46   7.522  13.055   3.508
  371   3HG2  VAL  46          1HG2      VAL  46   8.591  12.580   2.153
  372    HA   PRO  47           HA       PRO  47  13.344   8.246   5.197
  373   1HB   PRO  47          2HB       PRO  47  13.907  11.247   5.057
  374   2HB   PRO  47          1HB       PRO  47  15.093   9.939   5.241
  375   1HG   PRO  47          2HG       PRO  47  14.376  10.696   2.694
  376   2HG   PRO  47          1HG       PRO  47  14.553   8.965   3.163
  377   1HD   PRO  47          2HD       PRO  47  12.213  10.629   2.522
  378   2HD   PRO  47          1HD       PRO  47  12.331   8.835   2.549
  379    H    GLY  48           H        GLY  48  12.038  11.357   6.700
  380   1HA   GLY  48          2HA       GLY  48  12.736  10.395   9.345
  381   2HA   GLY  48          1HA       GLY  48  11.526  11.630   9.010
  382    H    ARG  49           H        ARG  49   9.821  10.528   7.402
  383    HA   ARG  49           HA       ARG  49   8.344   8.372   8.747
  384   1HB   ARG  49          2HB       ARG  49   7.892  10.001   6.191
  385   2HB   ARG  49          1HB       ARG  49   6.814   8.730   6.783
  386   1HG   ARG  49          2HG       ARG  49   7.323  11.334   8.227
  387   2HG   ARG  49          1HG       ARG  49   5.797  10.736   7.521
  388   1HD   ARG  49          2HD       ARG  49   5.348   9.853   9.439
  389   2HD   ARG  49          1HD       ARG  49   6.492   8.602   9.094
  390    HE   ARG  49           HE       ARG  49   8.138  10.569  10.108
  391   1HH1  ARG  49          2HH2      ARG  49   6.527   8.117  11.568
  392   2HH1  ARG  49          1HH2      ARG  49   6.272   8.957  13.055
  393   1HH2  ARG  49          2HH1      ARG  49   7.173  12.049  12.006
  394   2HH2  ARG  49          1HH1      ARG  49   6.621  11.048  13.306
  395    H    HIS  50           H        HIS  50  10.559   7.252   8.200
  396    HA   HIS  50           HA       HIS  50  10.609   5.929   5.561
  397   1HB   HIS  50          2HB       HIS  50  12.634   4.647   6.668
  398   2HB   HIS  50          1HB       HIS  50  12.966   6.309   6.257
  399    HD1  HIS  50           HD1      HIS  50  10.787   5.754   9.319
  400    HD2  HIS  50           HD2      HIS  50  14.830   6.271   8.445
  401    HE1  HIS  50           HE1      HIS  50  11.949   6.207  11.459
  402    HE2  HIS  50           HE2      HIS  50  14.420   6.546  11.045
  403    H    ASP  51           H        ASP  51   8.648   5.739   7.798
  404    HA   ASP  51           HA       ASP  51   8.691   2.815   8.341
  405   1HB   ASP  51          2HB       ASP  51   7.779   3.456  10.623
  406   2HB   ASP  51          1HB       ASP  51   9.462   3.811  10.283
  407    H    ILE  52           H        ILE  52   6.733   5.576   7.332
  408    HA   ILE  52           HA       ILE  52   4.341   3.887   7.525
  409    HB   ILE  52           HB       ILE  52   2.940   5.855   7.806
  410   1HG1  ILE  52          2HG1      ILE  52   4.656   7.792   8.847
  411   2HG1  ILE  52          1HG1      ILE  52   5.441   7.312   7.350
  412   1HG2  ILE  52          2HG2      ILE  52   4.894   4.889   9.731
  413   2HG2  ILE  52          1HG2      ILE  52   4.223   6.461  10.145
  414   3HG2  ILE  52          3HG2      ILE  52   3.135   5.070   9.901
  415   1HD1  ILE  52          3HD1      ILE  52   3.127   7.551   6.227
  416   2HD1  ILE  52          2HD1      ILE  52   2.613   8.335   7.732
  417   3HD1  ILE  52          1HD1      ILE  52   3.897   9.045   6.745
  418    H    ALA  53           H        ALA  53   3.758   3.370   5.532
  419    HA   ALA  53           HA       ALA  53   4.692   5.032   3.248
  420   1HB   ALA  53          2HB       ALA  53   4.587   2.126   3.717
  421   2HB   ALA  53          1HB       ALA  53   4.009   2.699   2.126
  422   3HB   ALA  53          3HB       ALA  53   5.640   3.027   2.642
  423    H    PHE  54           H        PHE  54   3.190   6.089   2.280
  424    HA   PHE  54           HA       PHE  54   0.484   5.108   2.082
  425   1HB   PHE  54          2HB       PHE  54   1.308   7.602   3.026
  426   2HB   PHE  54          1HB       PHE  54   0.737   7.942   1.370
  427    HD1  PHE  54           HD1      PHE  54  -1.516   7.282   0.716
  428    HD2  PHE  54           HD2      PHE  54  -0.189   7.222   4.765
  429    HE1  PHE  54           HE1      PHE  54  -3.889   7.299   1.548
  430    HE2  PHE  54           HE2      PHE  54  -2.501   7.228   5.622
  431    HZ   PHE  54           HZ       PHE  54  -4.382   7.269   3.941
  432    H    VAL  55           H        VAL  55   0.240   4.098   0.284
  433    HA   VAL  55           HA       VAL  55   1.449   5.130  -2.253
  434    HB   VAL  55           HB       VAL  55   0.654   2.288  -1.587
  435   1HG1  VAL  55          3HG1      VAL  55   2.582   3.684  -3.475
  436   2HG1  VAL  55          2HG1      VAL  55   2.389   1.918  -3.331
  437   3HG1  VAL  55          1HG1      VAL  55   1.056   2.873  -3.952
  438   1HG2  VAL  55          3HG2      VAL  55   2.385   3.346   0.065
  439   2HG2  VAL  55          2HG2      VAL  55   2.774   1.870  -0.754
  440   3HG2  VAL  55          1HG2      VAL  55   3.479   3.373  -1.334
  441    H    GLU  56           H        GLU  56  -0.019   6.080  -3.325
  442    HA   GLU  56           HA       GLU  56  -2.772   5.163  -3.670
  443   1HB   GLU  56          2HB       GLU  56  -2.258   7.615  -3.037
  444   2HB   GLU  56          1HB       GLU  56  -1.580   7.717  -4.662
  445   1HG   GLU  56          2HG       GLU  56  -3.835   6.862  -5.541
  446   2HG   GLU  56          1HG       GLU  56  -4.420   7.289  -3.922
  447    H    PHE  57           H        PHE  57  -2.794   3.736  -5.243
  448    HA   PHE  57           HA       PHE  57  -1.196   3.967  -7.735
  449   1HB   PHE  57          2HB       PHE  57  -2.806   1.517  -7.146
  450   2HB   PHE  57          1HB       PHE  57  -1.349   1.753  -8.061
  451    HD1  PHE  57           HD2      PHE  57  -2.439   2.083  -4.362
  452    HD2  PHE  57           HD1      PHE  57   0.485   0.806  -7.230
  453    HE1  PHE  57           HE2      PHE  57  -1.107   1.196  -2.591
  454    HE2  PHE  57           HE1      PHE  57   1.816  -0.097  -5.428
  455    HZ   PHE  57           HZ       PHE  57   1.105   0.058  -3.049
  456    H    ASP  58           H        ASP  58  -2.304   5.021  -9.185
  457    HA   ASP  58           HA       ASP  58  -4.610   5.897  -9.792
  458   1HB   ASP  58          2HB       ASP  58  -2.620   5.503 -11.392
  459   2HB   ASP  58          1HB       ASP  58  -3.422   4.023 -11.823
  460    H    ASN  59           H        ASN  59  -4.196   2.302 -10.148
  461    HA   ASN  59           HA       ASN  59  -6.996   2.135  -9.400
  462   1HB   ASN  59          2HB       ASN  59  -7.820   1.339 -11.324
  463   2HB   ASN  59          1HB       ASN  59  -6.346   1.992 -12.075
  464   1HD2  ASN  59          2HD2      ASN  59  -7.096  -1.740 -12.700
  465   2HD2  ASN  59          1HD2      ASN  59  -8.185  -0.433 -12.652
  466    H    GLU  60           H        GLU  60  -7.659   0.281  -8.523
  467    HA   GLU  60           HA       GLU  60  -5.812  -0.994  -6.822
  468   1HB   GLU  60          2HB       GLU  60  -8.058  -0.617  -6.185
  469   2HB   GLU  60          1HB       GLU  60  -8.640  -1.775  -7.425
  470   1HG   GLU  60          2HG       GLU  60  -6.571  -2.623  -5.462
  471   2HG   GLU  60          1HG       GLU  60  -8.188  -2.386  -4.794
  472    H    VAL  61           H        VAL  61  -6.557  -2.080 -10.143
  473    HA   VAL  61           HA       VAL  61  -5.935  -4.843  -9.536
  474    HB   VAL  61           HB       VAL  61  -5.589  -3.474 -12.212
  475   1HG1  VAL  61          1HG1      VAL  61  -4.917  -6.070 -11.219
  476   2HG1  VAL  61          3HG1      VAL  61  -6.276  -6.269 -12.331
  477   3HG1  VAL  61          2HG1      VAL  61  -4.807  -5.476 -12.860
  478   1HG2  VAL  61          1HG2      VAL  61  -7.909  -3.929 -10.677
  479   2HG2  VAL  61          3HG2      VAL  61  -7.859  -3.642 -12.438
  480   3HG2  VAL  61          2HG2      VAL  61  -7.867  -5.296 -11.756
  481    H    GLN  62           H        GLN  62  -4.270  -1.962 -10.509
  482    HA   GLN  62           HA       GLN  62  -1.588  -3.101 -10.473
  483   1HB   GLN  62          2HB       GLN  62  -1.876  -0.146 -10.258
  484   2HB   GLN  62          1HB       GLN  62  -0.684  -1.143 -11.031
  485   1HG   GLN  62          2HG       GLN  62  -1.721  -1.186 -13.041
  486   2HG   GLN  62          1HG       GLN  62  -3.243  -1.465 -12.301
  487   1HE2  GLN  62          2HE2      GLN  62  -2.907   2.195 -13.701
  488   2HE2  GLN  62          1HE2      GLN  62  -2.098   0.825 -14.298
  489    H    ALA  63           H        ALA  63  -3.742  -1.404  -8.138
  490    HA   ALA  63           HA       ALA  63  -1.522  -0.931  -6.338
  491   1HB   ALA  63          1HB       ALA  63  -4.066   0.047  -6.513
  492   2HB   ALA  63          3HB       ALA  63  -4.391  -1.239  -5.388
  493   3HB   ALA  63          2HB       ALA  63  -3.243  -0.008  -4.923
  494    H    GLY  64           H        GLY  64  -3.953  -3.288  -6.928
  495   1HA   GLY  64          2HA       GLY  64  -3.513  -5.015  -4.740
  496   2HA   GLY  64          1HA       GLY  64  -4.391  -5.427  -6.222
  497    H    ALA  65           H        ALA  65  -2.174  -4.669  -8.018
  498    HA   ALA  65           HA       ALA  65  -0.769  -7.137  -8.181
  499   1HB   ALA  65          2HB       ALA  65  -0.288  -4.359  -9.346
  500   2HB   ALA  65          1HB       ALA  65   0.695  -5.736  -9.827
  501   3HB   ALA  65          3HB       ALA  65  -1.065  -5.713 -10.173
  502    H    ALA  66           H        ALA  66   0.227  -3.844  -7.445
  503    HA   ALA  66           HA       ALA  66   2.823  -4.178  -6.439
  504   1HB   ALA  66          3HB       ALA  66   1.466  -2.018  -6.935
  505   2HB   ALA  66          2HB       ALA  66   0.738  -2.252  -5.314
  506   3HB   ALA  66          1HB       ALA  66   2.432  -1.924  -5.482
  507    H    ARG  67           H        ARG  67  -0.190  -4.219  -4.725
  508    HA   ARG  67           HA       ARG  67   0.840  -4.645  -2.137
  509   1HB   ARG  67          2HB       ARG  67  -1.537  -3.999  -2.858
  510   2HB   ARG  67          1HB       ARG  67  -1.867  -5.687  -3.170
  511   1HG   ARG  67          2HG       ARG  67  -0.719  -4.680  -0.564
  512   2HG   ARG  67          1HG       ARG  67  -2.465  -4.904  -0.783
  513   1HD   ARG  67          2HD       ARG  67  -1.277  -7.314  -1.591
  514   2HD   ARG  67          1HD       ARG  67  -0.501  -6.901  -0.048
  515    HE   ARG  67           HE       ARG  67  -3.433  -7.166  -0.450
  516   1HH1  ARG  67          1HH1      ARG  67  -2.622  -6.847   3.180
  517   2HH1  ARG  67          2HH1      ARG  67  -2.870  -5.651   1.944
  518   1HH2  ARG  67          2HH2      ARG  67  -2.110  -9.390   0.847
  519   2HH2  ARG  67          1HH2      ARG  67  -2.169  -9.044   2.535
  520    H    ASP  68           H        ASP  68  -0.486  -7.066  -4.431
  521    HA   ASP  68           HA       ASP  68   0.243  -9.363  -2.972
  522   1HB   ASP  68          2HB       ASP  68  -1.175  -8.939  -5.250
  523   2HB   ASP  68          1HB       ASP  68   0.261  -9.739  -5.858
  524    H    ALA  69           H        ALA  69   2.182  -7.264  -5.033
  525    HA   ALA  69           HA       ALA  69   4.381  -9.107  -5.433
  526   1HB   ALA  69          3HB       ALA  69   3.753  -6.778  -6.643
  527   2HB   ALA  69          2HB       ALA  69   4.787  -6.130  -5.380
  528   3HB   ALA  69          1HB       ALA  69   5.448  -7.303  -6.525
  529    H    LEU  70           H        LEU  70   3.602  -6.520  -3.148
  530    HA   LEU  70           HA       LEU  70   5.747  -7.717  -1.360
  531   1HB   LEU  70          2HB       LEU  70   6.343  -5.554  -0.497
  532   2HB   LEU  70          1HB       LEU  70   6.565  -5.507  -2.234
  533    HG   LEU  70           HG       LEU  70   3.852  -4.735  -1.433
  534   1HD1  LEU  70          3HD1      LEU  70   5.168  -3.913   0.584
  535   2HD1  LEU  70          2HD1      LEU  70   6.251  -3.103  -0.502
  536   3HD1  LEU  70          1HD1      LEU  70   4.577  -2.549  -0.415
  537   1HD2  LEU  70          1HD2      LEU  70   5.043  -4.356  -3.633
  538   2HD2  LEU  70          3HD2      LEU  70   4.451  -2.840  -2.945
  539   3HD2  LEU  70          2HD2      LEU  70   6.167  -3.306  -2.819
  540    H    GLN  71           H        GLN  71   3.336  -8.691  -1.301
  541    HA   GLN  71           HA       GLN  71   1.556  -7.347   0.521
  542   1HB   GLN  71          2HB       GLN  71   0.093  -8.776  -0.402
  543   2HB   GLN  71          1HB       GLN  71   1.385  -9.365  -1.411
  544   1HG   GLN  71          2HG       GLN  71   2.054 -10.966   0.396
  545   2HG   GLN  71          1HG       GLN  71   0.534 -10.559   1.207
  546   1HE2  GLN  71          1HE2      GLN  71  -1.269 -12.012  -1.774
  547   2HE2  GLN  71          2HE2      GLN  71  -1.235 -10.485  -0.999
  548    H    GLY  72           H        GLY  72   4.412  -8.982   0.944
  549   1HA   GLY  72          2HA       GLY  72   3.916  -9.426   3.802
  550   2HA   GLY  72          1HA       GLY  72   4.160 -10.888   2.841
  551    H    PHE  73           H        PHE  73   5.537  -7.720   2.314
  552    HA   PHE  73           HA       PHE  73   8.165  -8.541   1.698
  553   1HB   PHE  73          2HB       PHE  73   7.097  -6.166   1.353
  554   2HB   PHE  73          1HB       PHE  73   7.574  -5.901   3.004
  555    HD1  PHE  73           HD1      PHE  73  10.071  -8.149   2.035
  556    HD2  PHE  73           HD2      PHE  73   8.781  -4.111   1.201
  557    HE1  PHE  73           HE1      PHE  73  12.324  -7.546   1.301
  558    HE2  PHE  73           HE2      PHE  73  11.039  -3.565   0.466
  559    HZ   PHE  73           HZ       PHE  73  12.854  -5.280   0.513
  560    H    LYS  74           H        LYS  74   8.668 -10.097   3.202
  561    HA   LYS  74           HA       LYS  74   8.867  -9.636   6.091
  562   1HB   LYS  74          2HB       LYS  74  10.277 -11.683   6.054
  563   2HB   LYS  74          1HB       LYS  74   8.622 -11.889   5.435
  564   1HG   LYS  74          2HG       LYS  74   9.359 -12.509   3.403
  565   2HG   LYS  74          1HG       LYS  74  10.391 -11.060   3.315
  566   1HD   LYS  74          2HD       LYS  74  12.163 -12.240   4.565
  567   2HD   LYS  74          1HD       LYS  74  11.038 -13.602   4.821
  568   1HE   LYS  74          2HE       LYS  74  10.981 -13.978   2.369
  569   2HE   LYS  74          1HE       LYS  74  12.235 -12.738   2.194
  570   1HZ   LYS  74          3HZ       LYS  74  12.762 -14.778   4.143
  571   2HZ   LYS  74          2HZ       LYS  74  12.711 -15.342   2.525
  572   3HZ   LYS  74          1HZ       LYS  74  13.781 -14.093   2.979
  573    H    ILE  75           H        ILE  75   9.919  -7.666   6.205
  574    HA   ILE  75           HA       ILE  75  12.403  -7.053   4.947
  575    HB   ILE  75           HB       ILE  75  10.908  -6.162   7.396
  576   1HG1  ILE  75          2HG1      ILE  75  11.924  -4.121   5.554
  577   2HG1  ILE  75          1HG1      ILE  75  11.077  -5.392   4.706
  578   1HG2  ILE  75          3HG2      ILE  75  13.705  -5.304   6.653
  579   2HG2  ILE  75          2HG2      ILE  75  12.680  -4.401   7.780
  580   3HG2  ILE  75          1HG2      ILE  75  13.201  -6.037   8.194
  581   1HD1  ILE  75          3HD1      ILE  75   9.755  -4.273   7.144
  582   2HD1  ILE  75          2HD1      ILE  75   9.781  -3.347   5.674
  583   3HD1  ILE  75          1HD1      ILE  75   9.052  -4.952   5.644
  584    H    THR  76           H        THR  76  11.643  -8.977   7.708
  585    HA   THR  76           HA       THR  76  14.506  -9.812   7.809
  586    HB   THR  76           HB       THR  76  12.669  -9.531  10.224
  587    HG1  THR  76          1HG       THR  76  14.572  -8.055  10.839
  588   1HG2  THR  76          3HG2      THR  76  15.090 -11.010   9.704
  589   2HG2  THR  76          2HG2      THR  76  15.264  -9.941  11.114
  590   3HG2  THR  76          1HG2      THR  76  14.001 -11.149  11.070
  591    H    GLN  77           H        GLN  77  11.304 -10.722   8.752
  592    HA   GLN  77           HA       GLN  77  10.832 -13.136   7.647
  593   1HB   GLN  77          2HB       GLN  77  12.922 -13.466   9.786
  594   2HB   GLN  77          1HB       GLN  77  11.527 -14.523   9.925
  595   1HG   GLN  77          2HG       GLN  77  12.040 -14.710   7.225
  596   2HG   GLN  77          1HG       GLN  77  13.646 -14.623   7.903
  597   1HE2  GLN  77          1HE2      GLN  77  12.223 -18.199   8.078
  598   2HE2  GLN  77          2HE2      GLN  77  12.137 -17.115   6.790
  599    H    ASN  78           H        ASN  78  11.069 -11.643  10.757
  600    HA   ASN  78           HA       ASN  78   8.248 -12.296  11.411
  601   1HB   ASN  78          2HB       ASN  78  10.608 -12.272  13.005
  602   2HB   ASN  78          1HB       ASN  78   9.570 -10.922  13.551
  603   1HD2  ASN  78          2HD2      ASN  78   7.677 -14.551  13.689
  604   2HD2  ASN  78          1HD2      ASN  78   8.467 -14.138  12.224
  605    H    ASN  79           H        ASN  79  10.667  -9.800  11.091
  606    HA   ASN  79           HA       ASN  79   8.815  -7.577  11.324
  607   1HB   ASN  79          2HB       ASN  79  11.573  -7.609  10.066
  608   2HB   ASN  79          1HB       ASN  79  10.809  -6.213  10.806
  609   1HD2  ASN  79          1HD2      ASN  79  11.387  -8.551  13.994
  610   2HD2  ASN  79          2HD2      ASN  79  10.013  -8.546  13.005
  611    H    ALA  80           H        ALA  80   7.250  -7.733   9.794
  612    HA   ALA  80           HA       ALA  80   8.084  -7.839   6.965
  613   1HB   ALA  80          2HB       ALA  80   6.991  -9.961   7.889
  614   2HB   ALA  80          1HB       ALA  80   5.570  -9.013   8.218
  615   3HB   ALA  80          3HB       ALA  80   6.110  -9.224   6.529
  616    H    MET  81           H        MET  81   7.130  -6.300   5.731
  617    HA   MET  81           HA       MET  81   6.171  -3.919   6.822
  618   1HB   MET  81          2HB       MET  81   6.899  -3.651   4.638
  619   2HB   MET  81          1HB       MET  81   6.211  -5.240   4.171
  620   1HG   MET  81          2HG       MET  81   5.001  -3.569   2.974
  621   2HG   MET  81          1HG       MET  81   3.921  -4.121   4.210
  622   1HE   MET  81          2HE       MET  81   6.112  -1.466   2.657
  623   2HE   MET  81          1HE       MET  81   4.400  -1.248   2.303
  624   3HE   MET  81          3HE       MET  81   5.291  -0.008   3.190
  625    H    LYS  82           H        LYS  82   3.963  -2.911   6.989
  626    HA   LYS  82           HA       LYS  82   1.711  -4.773   6.545
  627   1HB   LYS  82          2HB       LYS  82   2.144  -3.073   9.034
  628   2HB   LYS  82          1HB       LYS  82   0.672  -3.943   8.639
  629   1HG   LYS  82          2HG       LYS  82   3.443  -5.190   8.767
  630   2HG   LYS  82          1HG       LYS  82   2.436  -5.061  10.175
  631   1HD   LYS  82          2HD       LYS  82   2.011  -6.622   7.604
  632   2HD   LYS  82          1HD       LYS  82   2.075  -7.240   9.282
  633   1HE   LYS  82          2HE       LYS  82   0.009  -5.549   9.481
  634   2HE   LYS  82          1HE       LYS  82  -0.264  -6.181   7.837
  635   1HZ   LYS  82          1HZ       LYS  82   0.491  -8.004  10.031
  636   2HZ   LYS  82          3HZ       LYS  82  -1.131  -7.512   9.918
  637   3HZ   LYS  82          2HZ       LYS  82  -0.392  -8.330   8.633
  638    H    ILE  83           H        ILE  83   0.599  -3.990   5.095
  639    HA   ILE  83           HA       ILE  83   0.320  -1.140   4.296
  640    HB   ILE  83           HB       ILE  83   0.511  -3.787   2.820
  641   1HG1  ILE  83          2HG1      ILE  83   2.151  -1.204   2.850
  642   2HG1  ILE  83          1HG1      ILE  83   2.621  -2.861   3.328
  643   1HG2  ILE  83          3HG2      ILE  83  -0.380  -1.070   1.910
  644   2HG2  ILE  83          2HG2      ILE  83   0.205  -2.273   0.747
  645   3HG2  ILE  83          1HG2      ILE  83  -1.240  -2.612   1.731
  646   1HD1  ILE  83          2HD1      ILE  83   2.068  -3.417   0.813
  647   2HD1  ILE  83          1HD1      ILE  83   2.488  -1.735   0.566
  648   3HD1  ILE  83          3HD1      ILE  83   3.642  -2.787   1.322
  649    H    SER  84           H        SER  84  -1.700  -0.507   4.533
  650    HA   SER  84           HA       SER  84  -3.906  -2.400   4.825
  651   1HB   SER  84          2HB       SER  84  -3.209  -1.258   6.905
  652   2HB   SER  84          1HB       SER  84  -3.773   0.297   6.225
  653    HG   SER  84           HG       SER  84  -5.260  -2.053   6.547
  654    H    PHE  85           H        PHE  85  -4.897  -2.212   2.835
  655    HA   PHE  85           HA       PHE  85  -5.031  -0.164   0.987
  656   1HB   PHE  85          2HB       PHE  85  -7.121  -2.104   1.984
  657   2HB   PHE  85          1HB       PHE  85  -7.366  -1.038   0.588
  658    HD1  PHE  85           HD2      PHE  85  -6.082  -1.380  -1.494
  659    HD2  PHE  85           HD1      PHE  85  -5.732  -4.033   1.827
  660    HE1  PHE  85           HE2      PHE  85  -4.985  -3.059  -2.949
  661    HE2  PHE  85           HE1      PHE  85  -4.662  -5.713   0.453
  662    HZ   PHE  85           HZ       PHE  85  -4.256  -5.275  -1.943
  663    H    ALA  86           H        ALA  86  -6.835   1.320   0.594
  664    HA   ALA  86           HA       ALA  86  -7.538   2.879   2.929
  665   1HB   ALA  86          3HB       ALA  86  -8.380   3.014   0.046
  666   2HB   ALA  86          2HB       ALA  86  -8.876   4.254   1.229
  667   3HB   ALA  86          1HB       ALA  86  -7.178   4.028   0.784
  668    H    LYS  87           H        LYS  87  -9.963   3.700   2.909
  669    HA   LYS  87           HA       LYS  87 -12.172   3.342   3.331
  670   1HB   LYS  87          2HB       LYS  87 -11.602   1.518   1.041
  671   2HB   LYS  87          1HB       LYS  87 -13.058   1.186   1.955
  672   1HG   LYS  87          2HG       LYS  87 -12.244   3.910   0.800
  673   2HG   LYS  87          1HG       LYS  87 -13.418   2.803   0.062
  674   1HD   LYS  87          2HD       LYS  87 -14.489   2.969   2.499
  675   2HD   LYS  87          1HD       LYS  87 -13.624   4.494   2.504
  676   1HE   LYS  87          2HE       LYS  87 -14.774   5.365   0.707
  677   2HE   LYS  87          1HE       LYS  87 -15.355   3.830   0.121
  678   1HZ   LYS  87          2HZ       LYS  87 -16.191   4.663   2.817
  679   2HZ   LYS  87          1HZ       LYS  87 -16.909   5.414   1.505
  680   3HZ   LYS  87          3HZ       LYS  87 -16.979   3.712   1.650
  681    H    LYS  88           H        LYS  88  -9.898   1.503   4.598
  682    HA   LYS  88           HA       LYS  88 -11.821  -0.076   6.233
  683   1HB   LYS  88          2HB       LYS  88  -8.982  -1.094   5.668
  684   2HB   LYS  88          1HB       LYS  88 -10.372  -1.961   6.354
  685   1HG   LYS  88          2HG       LYS  88 -11.363  -2.289   4.317
  686   2HG   LYS  88          1HG       LYS  88 -10.616  -0.884   3.624
  687   1HD   LYS  88          2HD       LYS  88  -9.675  -3.085   2.825
  688   2HD   LYS  88          1HD       LYS  88  -8.444  -1.987   3.476
  689   1HE   LYS  88          2HE       LYS  88  -8.280  -3.221   5.512
  690   2HE   LYS  88          1HE       LYS  88  -9.889  -3.926   5.239
  691   1HZ   LYS  88          2HZ       LYS  88  -7.445  -4.493   3.645
  692   2HZ   LYS  88          1HZ       LYS  88  -8.046  -5.487   4.905
  693   3HZ   LYS  88          3HZ       LYS  88  -8.943  -5.254   3.469
   
  No H/Q in entry =         693