*HEADER   RIBONUCLEASE INHIBITOR                  04-FEB-97   1AB7    
*TITLE    NMR 15N RELAXATION AND STRUCTURAL STUDIES REVEAL            
*TITLE   2 CONFORMATIONAL EXCHANGE IN BARSTAR C40/82A, 30 STRUCTURES  
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: BARSTAR;                                         
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES;                                           
*COMPND  5 MUTATION: C40A, C82A                                       
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS;           
*SOURCE  3 EXPRESSION_SYSTEM: ESCHERICHIA COLI                        
*KEYWDS   RIBONUCLEASE INHIBITOR                                      
*EXPDTA   NMR, 30 STRUCTURES                                          
*AUTHOR   K.B.WONG,A.R.FERSHT,S.M.V.FREUND                            
*REVDAT  1   04-SEP-97 1AB7    0                                      

! NOE file for xplor, limits bounds for R-6 averaging
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assign (resid    3 and  name HA   )(resid    4 and  name HG2* ) 4.0 2.2 1.5
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assign (resid    4 and  name HG2* )(resid    5 and  name HN   ) 4.0 2.2 1.5
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assign (resid    4 and  name HN   )(resid   52 and  name HB1  ) 4.0 2.2 1.0
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assign (resid    5 and  name HA   )(resid    6 and  name HN   ) 2.4 0.6 0.3
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assign (resid    5 and  name HA   )(resid    5 and  name HG2* ) 3.0 1.2 0.8
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assign (resid    5 and  name HA   )(resid    5 and  name HB   ) 4.0 2.2 1.0
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assign (resid    5 and  name HB   )(resid    5 and  name HG1# ) 3.0 1.2 0.3
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assign (resid    5 and  name HB   )(resid    5 and  name HN   ) 3.0 1.2 0.3
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assign (resid    5 and  name HD1* )(resid   53 and  name HA   ) 4.0 2.2 1.5
assign (resid    5 and  name HD1* )(resid    5 and  name HN   ) 4.0 2.2 1.5
assign (resid    5 and  name HD1* )(resid   51 and  name HD1* ) 3.0 1.2 1.3
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assign (resid    5 and  name HD1* )(resid   20 and  name HD2* ) 3.0 1.2 1.3
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assign (resid    5 and  name HD1* )(resid   19 and  name HG2* ) 4.0 2.2 2.0
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assign (resid    5 and  name HG2* )(resid    7 and  name HA#  ) 4.0 2.2 1.5
assign (resid    5 and  name HG2* )(resid   19 and  name HG2* ) 4.0 2.2 2.0
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assign (resid   10 and  name HB   )(resid   10 and  name HD1* ) 4.0 2.2 1.5
assign (resid   10 and  name HB   )(resid   10 and  name HG1# ) 3.0 1.2 0.3
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assign (resid   10 and  name HN   )(resid   10 and  name HG1# ) 3.0 1.2 0.3
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assign (resid   10 and  name HN   )(resid   10 and  name HA   ) 3.0 1.2 0.3
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assign (resid   31 and  name HN   )(resid   30 and  name HD#  ) 2.4 0.6 0.3
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assign (resid   33 and  name HB#  )(resid   33 and  name HN   ) 4.0 2.2 1.0
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assign (resid   34 and  name HN   )(resid   34 and  name HA   ) 4.0 2.2 1.0
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assign (resid   34 and  name HN   )(resid   33 and  name HB1  ) 3.0 1.2 0.3
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assign (resid   34 and  name HN   )(resid   33 and  name HA   ) 3.0 1.2 0.3
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assign (resid   38 and  name HE3  )(resid   73 and  name HA   ) 4.0 2.2 1.0
assign (resid   38 and  name HE3  )(resid   38 and  name HB#  ) 4.0 2.2 1.0
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assign (resid   38 and  name HH2  )(resid   77 and  name HA   ) 3.0 1.2 0.3
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assign (resid   42 and  name HG2* )(resid   42 and  name HN   ) 3.0 1.2 0.8
assign (resid   42 and  name HG2* )(resid   42 and  name HB   ) 2.4 0.6 0.8
assign (resid   42 and  name HG2* )(resid   38 and  name HE3  ) 3.0 1.2 0.8
assign (resid   42 and  name HN   )(resid   38 and  name HA   ) 3.0 1.2 0.3
assign (resid   42 and  name HN   )(resid   41 and  name HB#  ) 4.0 2.2 1.0
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assign (resid   44 and  name HB#  )(resid   44 and  name HE3  ) 4.0 2.2 1.0
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assign (resid   44 and  name HD1  )(resid   45 and  name HA   ) 3.0 1.2 0.3
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assign (resid   44 and  name HN   )(resid   45 and  name HG2* ) 4.0 2.2 1.5
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assign (resid   45 and  name HB   )(resid   45 and  name HN   ) 3.0 1.2 0.3
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assign (resid   45 and  name HG1* )(resid   45 and  name HG2* ) 2.4 0.6 1.3
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assign (resid   45 and  name HG1* )(resid   46 and  name HN   ) 3.0 1.2 0.8
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assign (resid   45 and  name HG2* )(resid   45 and  name HN   ) 3.0 1.2 0.8
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assign (resid   46 and  name HA   )(resid   46 and  name HG#  ) 3.0 1.2 0.3
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assign (resid   47 and  name HB1  )(resid   47 and  name HA   ) 3.0 1.2 0.3
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assign (resid   47 and  name HB1  )(resid   47 and  name HB2  ) 2.4 0.6 0.3
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assign (resid   47 and  name HB1  )(resid   47 and  name HN   ) 4.0 2.2 1.0
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assign (resid   47 and  name HD#  )(resid   49 and  name HB1  ) 3.0 1.2 0.3
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assign (resid   47 and  name HD#  )(resid   47 and  name HA   ) 3.0 1.2 0.3
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assign (resid   47 and  name HD#  )(resid   49 and  name HB2  ) 3.0 1.2 0.3
assign (resid   47 and  name HD#  )(resid   49 and  name HG   ) 4.0 2.2 1.0
assign (resid   47 and  name HD#  )(resid   47 and  name HE#  ) 3.0 1.2 0.3
assign (resid   47 and  name HD#  )(resid   45 and  name HG1* ) 4.0 2.2 1.5
assign (resid   47 and  name HD#  )(resid   46 and  name HA   ) 4.0 2.2 1.0
assign (resid   47 and  name HE#  )(resid   49 and  name HG   ) 4.0 2.2 1.0
assign (resid   47 and  name HE#  )(resid   45 and  name HG1* ) 3.0 1.2 0.8
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assign (resid   47 and  name HE#  )(resid   84 and  name HD1* ) 3.0 1.2 0.8
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assign (resid   47 and  name HE#  )(resid   45 and  name HB   ) 4.0 2.2 1.0
assign (resid   47 and  name HE#  )(resid   84 and  name HG2* ) 4.0 2.2 1.5
assign (resid   47 and  name HE#  )(resid   41 and  name HB#  ) 4.0 2.2 1.0
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assign (resid   47 and  name HE#  )(resid   41 and  name HG   ) 4.0 2.2 1.0
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assign (resid   47 and  name HN   )(resid   46 and  name HG#  ) 4.0 2.2 1.0
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assign (resid   48 and  name HA   )(resid   49 and  name HN   ) 3.0 1.2 0.3
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assign (resid   48 and  name HA   )(resid   48 and  name HG#  ) 4.0 2.2 1.0
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assign (resid   48 and  name HA   )(resid   48 and  name HD#  ) 4.0 2.2 1.0
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assign (resid   48 and  name HB#  )(resid   49 and  name HN   ) 4.0 2.2 1.0
assign (resid   48 and  name HB#  )(resid   48 and  name HD#  ) 4.0 2.2 1.0
assign (resid   48 and  name HB1  )(resid   48 and  name HB2  ) 2.4 0.6 0.3
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assign (resid   48 and  name HD1  )(resid   48 and  name HD2  ) 2.4 0.6 0.3
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assign (resid   49 and  name HA   )(resid   49 and  name HG   ) 4.0 2.2 1.0
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assign (resid   49 and  name HA   )(resid   50 and  name HN   ) 3.0 1.2 0.3
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assign (resid   49 and  name HA   )(resid    1 and  name HB#  ) 4.0 2.2 1.0
assign (resid   49 and  name HA   )(resid   47 and  name HA   ) 4.0 2.2 1.0
assign (resid   49 and  name HB2  )(resid   50 and  name HN   ) 4.0 2.2 1.0
assign (resid   49 and  name HB2  )(resid   49 and  name HD1* ) 4.0 2.2 1.5
assign (resid   49 and  name HB2  )(resid   47 and  name HE#  ) 4.0 2.2 1.0
assign (resid   49 and  name HB2  )(resid   49 and  name HG   ) 3.0 1.2 0.3
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assign (resid   49 and  name HB2  )(resid   49 and  name HN   ) 3.0 1.2 0.3
assign (resid   49 and  name HB2  )(resid   84 and  name HA   ) 4.0 2.2 1.0
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assign (resid   49 and  name HB1  )(resid   47 and  name HE#  ) 4.0 2.2 1.0
assign (resid   49 and  name HB1  )(resid   84 and  name HA   ) 4.0 2.2 1.0
assign (resid   49 and  name HB1  )(resid   49 and  name HN   ) 3.0 1.2 0.3
assign (resid   49 and  name HB1  )(resid   49 and  name HG   ) 3.0 1.2 0.3
assign (resid   49 and  name HB1  )(resid   47 and  name HA   ) 4.0 2.2 1.0
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assign (resid   49 and  name HD1* )(resid   50 and  name HN   ) 3.0 1.2 0.8
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assign (resid   49 and  name HD1* )(resid   49 and  name HG   ) 3.0 1.2 0.8
assign (resid   49 and  name HN   )(resid   49 and  name HG   ) 4.0 2.2 1.0
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assign (resid   49 and  name HN   )(resid   47 and  name HA   ) 3.0 1.2 0.3
assign (resid   49 and  name HN   )(resid   47 and  name HD#  ) 3.0 1.2 0.3
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assign (resid   50 and  name HG1* )(resid    2 and  name HB#  ) 4.0 2.2 1.5
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assign (resid   50 and  name HG1* )(resid    2 and  name HE#  ) 3.0 1.2 0.8
assign (resid   50 and  name HG1* )(resid   50 and  name HA   ) 3.0 1.2 0.8
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assign (resid   50 and  name HG2* )(resid   85 and  name HB   ) 3.0 1.2 0.8
assign (resid   50 and  name HG2* )(resid   50 and  name HA   ) 3.0 1.2 0.8
assign (resid   50 and  name HG2* )(resid   52 and  name HN   ) 4.0 2.2 1.5
assign (resid   50 and  name HG2* )(resid   50 and  name HN   ) 4.0 2.2 1.5
assign (resid   50 and  name HG2* )(resid   49 and  name HA   ) 4.0 2.2 1.5
assign (resid   50 and  name HN   )(resid   49 and  name HB1  ) 4.0 2.2 1.0
assign (resid   50 and  name HN   )(resid   49 and  name HG   ) 4.0 2.2 1.0
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assign (resid   51 and  name HA   )(resid   51 and  name HB1  ) 3.0 1.2 0.3
assign (resid   51 and  name HA   )(resid   51 and  name HB2  ) 3.0 1.2 0.3
assign (resid   51 and  name HA   )(resid   52 and  name HN   ) 3.0 1.2 0.3
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assign (resid   51 and  name HB2  )(resid   51 and  name HN   ) 3.0 1.2 0.3
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assign (resid   51 and  name HB2  )(resid   86 and  name HA   ) 4.0 2.2 1.0
assign (resid   51 and  name HB1  )(resid   51 and  name HD1* ) 3.0 1.2 0.8
assign (resid   51 and  name HB1  )(resid   86 and  name HA   ) 3.0 1.2 0.3
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assign (resid   51 and  name HB1  )(resid   51 and  name HD2* ) 3.0 1.2 0.8
assign (resid   51 and  name HB1  )(resid   51 and  name HG   ) 3.0 1.2 0.3
assign (resid   51 and  name HB1  )(resid   51 and  name HN   ) 3.0 1.2 0.3
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assign (resid   51 and  name HD1* )(resid   51 and  name HD2* ) 3.0 1.2 1.3
assign (resid   51 and  name HD1* )(resid   53 and  name HB#  ) 4.0 2.2 1.5
assign (resid   51 and  name HD1* )(resid   51 and  name HG   ) 2.4 0.6 0.8
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assign (resid   51 and  name HD2* )(resid   53 and  name HZ3  ) 4.0 2.2 1.5
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assign (resid   51 and  name HD2* )(resid   51 and  name HG   ) 3.0 1.2 0.8
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assign (resid   51 and  name HD2* )(resid   74 and  name HN   ) 4.0 2.2 1.5
assign (resid   51 and  name HD2* )(resid   51 and  name HN   ) 4.0 2.2 1.5
assign (resid   51 and  name HD2* )(resid   74 and  name HB2  ) 3.0 1.2 0.8
assign (resid   51 and  name HD2* )(resid   86 and  name HA   ) 4.0 2.2 1.5
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assign (resid   51 and  name HN   )(resid   51 and  name HD1* ) 4.0 2.2 1.5
assign (resid   51 and  name HN   )(resid   86 and  name HA   ) 4.0 2.2 1.0
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assign (resid   52 and  name HA   )(resid   52 and  name HG#  ) 4.0 2.2 1.0
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assign (resid   52 and  name HB2  )(resid   52 and  name HN   ) 3.0 1.2 0.3
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assign (resid   52 and  name HB1  )(resid   52 and  name HN   ) 3.0 1.2 0.3
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assign (resid   52 and  name HN   )(resid   51 and  name HD1* ) 4.0 2.2 1.5
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assign (resid   52 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 1.0
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assign (resid   53 and  name HA   )(resid   53 and  name HB#  ) 3.0 1.2 0.3
assign (resid   53 and  name HA   )(resid   51 and  name HG   ) 4.0 2.2 1.0
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assign (resid   53 and  name HA   )(resid    5 and  name HG1# ) 4.0 2.2 1.0
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assign (resid   53 and  name HD1  )(resid   53 and  name HA   ) 3.0 1.2 0.3
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assign (resid   53 and  name HD1  )(resid    5 and  name HG1# ) 4.0 2.2 1.0
assign (resid   53 and  name HD1  )(resid   53 and  name HB#  ) 4.0 2.2 1.0
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assign (resid   53 and  name HD1  )(resid   56 and  name HA   ) 4.0 2.2 1.0
assign (resid   53 and  name HD1  )(resid   56 and  name HD#  ) 4.0 2.2 1.0
assign (resid   53 and  name HE3  )(resid   51 and  name HG   ) 3.0 1.2 0.3
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assign (resid   53 and  name HE3  )(resid   71 and  name HG   ) 4.0 2.2 1.0
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assign (resid   53 and  name HE3  )(resid   88 and  name HD2* ) 4.0 2.2 1.5
assign (resid   53 and  name HE3  )(resid   53 and  name HA   ) 4.0 2.2 1.0
assign (resid   53 and  name HE3  )(resid   51 and  name HD2* ) 3.0 1.2 0.8
assign (resid   53 and  name HE3  )(resid    5 and  name HG2* ) 4.0 2.2 1.5
assign (resid   53 and  name HE3  )(resid   53 and  name HB#  ) 3.0 1.2 0.3
assign (resid   53 and  name HE3  )(resid   53 and  name HZ3  ) 3.0 1.2 0.3
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assign (resid   53 and  name HZ2  )(resid    5 and  name HG1# ) 4.0 2.2 1.0
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assign (resid   53 and  name HZ2  )(resid   67 and  name HB*  ) 3.0 1.2 0.8
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assign (resid   53 and  name HZ2  )(resid    5 and  name HB   ) 4.0 2.2 1.0
assign (resid   53 and  name HZ2  )(resid   67 and  name HA   ) 4.0 2.2 1.0
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assign (resid   53 and  name HZ3  )(resid   71 and  name HA   ) 4.0 2.2 1.0
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assign (resid   56 and  name HE#  )(resid   71 and  name HG   ) 4.0 2.2 1.0
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assign (resid   56 and  name HZ   )(resid   56 and  name HE#  ) 2.4 0.6 0.3
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assign (resid   60 and  name HA   )(resid   60 and  name HN   ) 3.0 1.2 0.3
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assign (resid   62 and  name HA   )(resid   62 and  name HB#  ) 3.0 1.2 0.3
assign (resid   62 and  name HA   )(resid   62 and  name HG   ) 3.0 1.2 0.3
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assign (resid   62 and  name HD1* )(resid   62 and  name HG   ) 3.0 1.2 0.8
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assign (resid   62 and  name HN   )(resid   61 and  name HA   ) 3.0 1.2 0.3
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assign (resid   63 and  name HG2* )(resid   66 and  name HA#  ) 3.0 1.2 0.8
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assign (resid   63 and  name HN   )(resid   62 and  name HB#  ) 4.0 2.2 1.0
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assign (resid   86 and  name HG2* )(resid   87 and  name HN   ) 4.0 2.2 1.5
assign (resid   86 and  name HG2* )(resid   86 and  name HA   ) 3.0 1.2 0.8
assign (resid   87 and  name HB   )(resid   87 and  name HG2* ) 3.0 1.2 0.8
assign (resid   87 and  name HB   )(resid   87 and  name HD1* ) 3.0 1.2 0.8
assign (resid   87 and  name HB   )(resid   86 and  name HA   ) 4.0 2.2 1.0
assign (resid   87 and  name HB   )(resid   87 and  name HN   ) 3.0 1.2 0.3
assign (resid   87 and  name HB   )(resid   52 and  name HB1  ) 4.0 2.2 1.0
assign (resid   87 and  name HD1* )(resid   87 and  name HG1# ) 2.4 0.6 0.8
assign (resid   87 and  name HD1* )(resid   87 and  name HN   ) 4.0 2.2 1.5
assign (resid   87 and  name HD1* )(resid   87 and  name HA   ) 4.0 2.2 1.5
assign (resid   87 and  name HG2* )(resid   87 and  name HG1# ) 3.0 1.2 0.8
assign (resid   87 and  name HG2* )(resid   52 and  name HB#  ) 4.0 2.2 1.5
assign (resid   87 and  name HG2* )(resid   89 and  name HB#  ) 4.0 2.2 1.5
assign (resid   87 and  name HG2* )(resid   52 and  name HG#  ) 4.0 2.2 1.5
assign (resid   87 and  name HG2* )(resid   87 and  name HN   ) 4.0 2.2 1.5
assign (resid   87 and  name HN   )(resid   86 and  name HA   ) 4.0 2.2 1.0
assign (resid   87 and  name HN   )(resid   51 and  name HB1  ) 2.4 0.6 0.3
assign (resid   88 and  name HA   )(resid   88 and  name HD2* ) 3.0 1.2 0.8
assign (resid   88 and  name HA   )(resid   88 and  name HD1* ) 4.0 2.2 1.5
assign (resid   88 and  name HA   )(resid   88 and  name HB#  ) 3.0 1.2 0.3
assign (resid   88 and  name HA   )(resid   53 and  name HB#  ) 4.0 2.2 1.0
assign (resid   88 and  name HA   )(resid   89 and  name HB#  ) 4.0 2.2 1.0
assign (resid   88 and  name HA   )(resid   88 and  name HG   ) 3.0 1.2 0.3
assign (resid   88 and  name HD1* )(resid   86 and  name HG1# ) 4.0 2.2 1.5
assign (resid   88 and  name HD1* )(resid   71 and  name HD1* ) 3.0 1.2 1.3
assign (resid   88 and  name HD1* )(resid   88 and  name HG   ) 3.0 1.2 0.8
assign (resid   88 and  name HD1* )(resid   88 and  name HB#  ) 3.0 1.2 0.8
assign (resid   88 and  name HD2* )(resid   53 and  name HB#  ) 3.0 1.2 0.8
assign (resid   88 and  name HD2* )(resid   88 and  name HG   ) 3.0 1.2 0.8
assign (resid   88 and  name HD2* )(resid   88 and  name HB#  ) 3.0 1.2 0.8
assign (resid   89 and  name HB#  )(resid   89 and  name HB#  ) 2.4 0.6 0.3
assign (resid   89 and  name HB2  )(resid   89 and  name HB1  ) 2.4 0.6 0.3
!
!hbonds
assign (resid    3 and  name N    )(resid   50 and  name O    ) 2.8 0.1 0.2
assign (resid    3 and  name HN   )(resid   50 and  name O    ) 1.9 0.1 0.1
assign (resid    5 and  name N    )(resid   52 and  name O    ) 2.8 0.1 0.2
assign (resid    5 and  name HN   )(resid   52 and  name O    ) 1.9 0.1 0.1
assign (resid   19 and  name N    )(resid   15 and  name O    ) 2.8 0.1 0.2
assign (resid   19 and  name HN   )(resid   15 and  name O    ) 1.9 0.1 0.1
assign (resid   20 and  name N    )(resid   16 and  name O    ) 2.8 0.1 0.2
assign (resid   20 and  name HN   )(resid   16 and  name O    ) 1.9 0.1 0.1
assign (resid   21 and  name N    )(resid   17 and  name O    ) 2.8 0.1 0.2
assign (resid   21 and  name HN   )(resid   17 and  name O    ) 1.9 0.1 0.1
assign (resid   22 and  name N    )(resid   18 and  name O    ) 2.8 0.1 0.2
assign (resid   22 and  name HN   )(resid   18 and  name O    ) 1.9 0.1 0.1
assign (resid   23 and  name N    )(resid   19 and  name O    ) 2.8 0.1 0.2
assign (resid   23 and  name HN   )(resid   19 and  name O    ) 1.9 0.1 0.1
assign (resid   24 and  name N    )(resid   20 and  name O    ) 2.8 0.1 0.2
assign (resid   24 and  name HN   )(resid   20 and  name O    ) 1.9 0.1 0.1
assign (resid   39 and  name N    )(resid   35 and  name O    ) 2.8 0.1 0.2
assign (resid   39 and  name HN   )(resid   35 and  name O    ) 1.9 0.1 0.1
assign (resid   40 and  name N    )(resid   36 and  name O    ) 2.8 0.1 0.2
assign (resid   40 and  name HN   )(resid   36 and  name O    ) 1.9 0.1 0.1
assign (resid   41 and  name N    )(resid   37 and  name O    ) 2.8 0.1 0.2
assign (resid   41 and  name HN   )(resid   37 and  name O    ) 1.9 0.1 0.1
assign (resid   49 and  name N    )(resid   83 and  name O    ) 2.8 0.1 0.2
assign (resid   49 and  name HN   )(resid   83 and  name O    ) 1.9 0.1 0.1
assign (resid   51 and  name N    )(resid   85 and  name O    ) 2.8 0.1 0.2
assign (resid   51 and  name HN   )(resid   85 and  name O    ) 1.9 0.1 0.1
assign (resid   50 and  name N    )(resid    1 and  name O    ) 2.8 0.1 0.2
assign (resid   50 and  name HN   )(resid    1 and  name O    ) 1.9 0.1 0.1
assign (resid   52 and  name N    )(resid    3 and  name O    ) 2.8 0.1 0.2
assign (resid   52 and  name HN   )(resid    3 and  name O    ) 1.9 0.1 0.1
assign (resid   54 and  name N    )(resid    5 and  name O    ) 2.8 0.1 0.2
assign (resid   54 and  name HN   )(resid    5 and  name O    ) 1.9 0.1 0.1
assign (resid   72 and  name N    )(resid   68 and  name O    ) 2.8 0.1 0.2
assign (resid   72 and  name HN   )(resid   68 and  name O    ) 1.9 0.1 0.1
assign (resid   73 and  name N    )(resid   69 and  name O    ) 2.8 0.1 0.2
assign (resid   73 and  name HN   )(resid   69 and  name O    ) 1.9 0.1 0.1
assign (resid   74 and  name N    )(resid   70 and  name O    ) 2.8 0.1 0.2
assign (resid   74 and  name HN   )(resid   70 and  name O    ) 1.9 0.1 0.1
assign (resid   75 and  name N    )(resid   71 and  name O    ) 2.8 0.1 0.2
assign (resid   75 and  name HN   )(resid   71 and  name O    ) 1.9 0.1 0.1
assign (resid   76 and  name N    )(resid   72 and  name O    ) 2.8 0.1 0.2
assign (resid   76 and  name HN   )(resid   72 and  name O    ) 1.9 0.1 0.1
assign (resid   77 and  name N    )(resid   73 and  name O    ) 2.8 0.1 0.2
assign (resid   77 and  name HN   )(resid   73 and  name O    ) 1.9 0.1 0.1
assign (resid   78 and  name N    )(resid   74 and  name O    ) 2.8 0.1 0.2
assign (resid   78 and  name HN   )(resid   74 and  name O    ) 1.9 0.1 0.1
assign (resid   85 and  name N    )(resid   49 and  name O    ) 2.8 0.1 0.2
assign (resid   85 and  name HN   )(resid   49 and  name O    ) 1.9 0.1 0.1
assign (resid   87 and  name N    )(resid   51 and  name O    ) 2.8 0.1 0.2
assign (resid   87 and  name HN   )(resid   51 and  name O    ) 1.9 0.1 0.1
set message=off echo=off end
restraints dihedral reset
!! Phi restraints: -50 +/- 30 degrees for J < 5 Hz
!! Phi restraints: -120 +/- 40 degrees for J > 8.5 Hz
 assign (resid   1 and name c )   (resid   2 and name n)
        (resid   2 and name ca)   (resid   2 and name c)  1.0 -120.0 40.0 2
 assign (resid   2 and name c )   (resid   3 and name n)
        (resid   3 and name ca)   (resid   3 and name c)  1.0 -120.0 40.0 2
 assign (resid   3 and name c )   (resid   4 and name n)
        (resid   4 and name ca)   (resid   4 and name c)  1.0 -120.0 40.0 2
 assign (resid   4 and name c )   (resid   5 and name n)
        (resid   5 and name ca)   (resid   5 and name c)  1.0 -120.0 40.0 2
 assign (resid   5 and name c )   (resid   6 and name n)
        (resid   6 and name ca)   (resid   6 and name c)  1.0 -120.0 40.0 2
 assign (resid   8 and name c )   (resid   9 and name n)
        (resid   9 and name ca)   (resid   9 and name c)  1.0 -120.0 40.0 2
 assign (resid  14 and name c )   (resid  15 and name n)
        (resid  15 and name ca)   (resid  15 and name c)  1.0 -50.0 30.0 2
 assign (resid  15 and name c )   (resid  16 and name n)
        (resid  16 and name ca)   (resid  16 and name c)  1.0 -50.0 30.0 2
 assign (resid  17 and name c )   (resid  18 and name n)
        (resid  18 and name ca)   (resid  18 and name c)  1.0 -50.0 30.0 2
 assign (resid  18 and name c )   (resid  19 and name n)
        (resid  19 and name ca)   (resid  19 and name c)  1.0 -50.0 30.0 2
 assign (resid  19 and name c )   (resid  20 and name n)
        (resid  20 and name ca)   (resid  20 and name c)  1.0 -50.0 30.0 2
 assign (resid  20 and name c )   (resid  21 and name n)
        (resid  21 and name ca)   (resid  21 and name c)  1.0 -50.0 30.0 2
 assign (resid  22 and name c )   (resid  23 and name n)
        (resid  23 and name ca)   (resid  23 and name c)  1.0 -50.0 30.0 2
 assign (resid  27 and name c )   (resid  28 and name n)
        (resid  28 and name ca)   (resid  28 and name c)  1.0 -50.0 30.0 2
 assign (resid  29 and name c )   (resid  30 and name n)
        (resid  30 and name ca)   (resid  30 and name c)  1.0 -50.0 30.0 2
 assign (resid  33 and name c )   (resid  34 and name n)
        (resid  34 and name ca)   (resid  34 and name c)  1.0 -50.0 30.0 2
 assign (resid  34 and name c )   (resid  35 and name n)
        (resid  35 and name ca)   (resid  35 and name c)  1.0 -50.0 30.0 2
 assign (resid  35 and name c )   (resid  36 and name n)
        (resid  36 and name ca)   (resid  36 and name c)  1.0 -50.0 30.0 2
 assign (resid  36 and name c )   (resid  37 and name n)
        (resid  37 and name ca)   (resid  37 and name c)  1.0 -50.0 30.0 2
 assign (resid  37 and name c )   (resid  38 and name n)
        (resid  38 and name ca)   (resid  38 and name c)  1.0 -50.0 30.0 2
 assign (resid  38 and name c )   (resid  39 and name n)
        (resid  39 and name ca)   (resid  39 and name c)  1.0 -50.0 30.0 2
 assign (resid  39 and name c )   (resid  40 and name n)
        (resid  40 and name ca)   (resid  40 and name c)  1.0 -50.0 30.0 2
 assign (resid  40 and name c )   (resid  41 and name n)
        (resid  41 and name ca)   (resid  41 and name c)  1.0 -50.0 30.0 2
 assign (resid  41 and name c )   (resid  42 and name n)
        (resid  42 and name ca)   (resid  42 and name c)  1.0 -120.0 40.0 2
 assign (resid  44 and name c )   (resid  45 and name n)
        (resid  45 and name ca)   (resid  45 and name c)  1.0 -50.0 30.0 2
 assign (resid  46 and name c )   (resid  47 and name n)
        (resid  47 and name ca)   (resid  47 and name c)  1.0 -120.0 40.0 2
 assign (resid  48 and name c )   (resid  49 and name n)
        (resid  49 and name ca)   (resid  49 and name c)  1.0 -120.0 40.0 2
 assign (resid  50 and name c )   (resid  51 and name n)
        (resid  51 and name ca)   (resid  51 and name c)  1.0 -120.0 40.0 2
 assign (resid  56 and name c )   (resid  57 and name n)
        (resid  57 and name ca)   (resid  57 and name c)  1.0 -50.0 30.0 2
 assign (resid  60 and name c )   (resid  61 and name n)
        (resid  61 and name ca)   (resid  61 and name c)  1.0 -50.0 30.0 2
 assign (resid  62 and name c )   (resid  63 and name n)
        (resid  63 and name ca)   (resid  63 and name c)  1.0 -120.0 40.0 2
 assign (resid  66 and name c )   (resid  67 and name n)
        (resid  67 and name ca)   (resid  67 and name c)  1.0 -50.0 30.0 2
 assign (resid  70 and name c )   (resid  71 and name n)
        (resid  71 and name ca)   (resid  71 and name c)  1.0 -50.0 30.0 2
 assign (resid  71 and name c )   (resid  72 and name n)
        (resid  72 and name ca)   (resid  72 and name c)  1.0 -50.0 30.0 2
 assign (resid  74 and name c )   (resid  75 and name n)
        (resid  75 and name ca)   (resid  75 and name c)  1.0 -50.0 30.0 2
 assign (resid  75 and name c )   (resid  76 and name n)
        (resid  76 and name ca)   (resid  76 and name c)  1.0 -50.0 30.0 2
 assign (resid  76 and name c )   (resid  77 and name n)
        (resid  77 and name ca)   (resid  77 and name c)  1.0 -50.0 30.0 2
 assign (resid  81 and name c )   (resid  82 and name n)
        (resid  82 and name ca)   (resid  82 and name c)  1.0 -50.0 30.0 2
 assign (resid  83 and name c )   (resid  84 and name n)
        (resid  84 and name ca)   (resid  84 and name c)  1.0 -120.0 40.0 2
 assign (resid  86 and name c )   (resid  87 and name n)
        (resid  87 and name ca)   (resid  87 and name c)  1.0 -120.0 40.0 2
!! Chi restraints: deviation = 60 degrees
 assign (resid   1 and name n )   (resid   2 and name ca)
        (resid   2 and name cb)   (resid   2 and name cg)  1.0 180.0 60.0 2
 assign (resid   5 and name n )   (resid   6 and name ca)
        (resid   6 and name cb)   (resid   6 and name cg)  1.0 60.0 60.0 2
 assign (resid  10 and name n )   (resid  11 and name ca)
        (resid  11 and name cb)   (resid  11 and name cg)  1.0 -60.0 60.0 2
 assign (resid  14 and name n )   (resid  15 and name ca)
        (resid  15 and name cb)   (resid  15 and name cg)  1.0 -60.0 60.0 2
 assign (resid  16 and name n )   (resid  17 and name ca)
        (resid  17 and name cb)   (resid  17 and name cg)  1.0 -60.0 60.0 2
 assign (resid  19 and name n )   (resid  20 and name ca)
        (resid  20 and name cb)   (resid  20 and name cg)  1.0 -60.0 60.0 2
 assign (resid  23 and name n )   (resid  24 and name ca)
        (resid  24 and name cb)   (resid  24 and name cg)  1.0 -60.0 60.0 2
 assign (resid  25 and name n )   (resid  26 and name ca)
        (resid  26 and name cb)   (resid  26 and name cg)  1.0 -60.0 60.0 2
 assign (resid  28 and name n )   (resid  29 and name ca)
        (resid  29 and name cb)   (resid  29 and name cg)  1.0 60.0 60.0 2
 assign (resid  34 and name n )   (resid  35 and name ca)
        (resid  35 and name cb)   (resid  35 and name cg)  1.0 60.0 60.0 2
 assign (resid  38 and name n )   (resid  39 and name ca)
        (resid  39 and name cb)   (resid  39 and name cg)  1.0 -60.0 60.0 2
 assign (resid  46 and name n )   (resid  47 and name ca)
        (resid  47 and name cb)   (resid  47 and name cg)  1.0 -60.0 60.0 2
 assign (resid  50 and name n )   (resid  51 and name ca)
        (resid  51 and name cb)   (resid  51 and name cg)  1.0 180.0 60.0 2
 assign (resid  51 and name n )   (resid  52 and name ca)
        (resid  52 and name cb)   (resid  52 and name cg)  1.0 180.0 60.0 2
 assign (resid  57 and name n )   (resid  58 and name ca)
        (resid  58 and name cb)   (resid  58 and name cg)  1.0 60.0 60.0 2
 assign (resid  73 and name n )   (resid  74 and name ca)
        (resid  74 and name cb)   (resid  74 and name cg)  1.0 -60.0 60.0 2
 assign (resid  74 and name n )   (resid  75 and name ca)
        (resid  75 and name cb)   (resid  75 and name cg)  1.0 -60.0 60.0 2
 assign (resid  77 and name n )   (resid  78 and name ca)
        (resid  78 and name cb)   (resid  78 and name cg)  1.0 60.0 60.0 2
 assign (resid  79 and name n )   (resid  80 and name ca)
        (resid  80 and name cb)   (resid  80 and name cg)  1.0 -60.0 60.0 2
end
set message=on echo=on end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          2H        LYS   1  -8.683   5.670   8.638
    2   2H    LYS   1          1H        LYS   1  -8.468   4.540   7.387
    3   3H    LYS   1          3H        LYS   1  -9.464   4.163   8.707
    4    HA   LYS   1           HA       LYS   1  -7.593   4.153  10.197
    5   1HB   LYS   1          2HB       LYS   1  -8.142   2.274   8.227
    6   2HB   LYS   1          1HB       LYS   1  -6.401   2.521   8.079
    7   1HG   LYS   1          2HG       LYS   1  -6.028   1.353   9.964
    8   2HG   LYS   1          1HG       LYS   1  -7.127   2.396  10.867
    9   1HD   LYS   1          2HD       LYS   1  -8.793   0.797   9.271
   10   2HD   LYS   1          1HD       LYS   1  -7.560  -0.302   9.890
   11   1HE   LYS   1          2HE       LYS   1  -8.922   1.660  11.726
   12   2HE   LYS   1          1HE       LYS   1  -9.679   0.114  11.344
   13   1HZ   LYS   1          3HZ       LYS   1  -6.886  -0.065  12.046
   14   2HZ   LYS   1          2HZ       LYS   1  -7.882   0.495  13.304
   15   3HZ   LYS   1          1HZ       LYS   1  -8.199  -1.003  12.568
   16    H    LYS   2           H        LYS   2  -5.005   3.664   9.824
   17    HA   LYS   2           HA       LYS   2  -3.966   5.859   8.092
   18   1HB   LYS   2          2HB       LYS   2  -3.909   6.890  10.210
   19   2HB   LYS   2          1HB       LYS   2  -3.468   5.393  11.029
   20   1HG   LYS   2          2HG       LYS   2  -1.250   5.671  10.604
   21   2HG   LYS   2          1HG       LYS   2  -1.542   6.277   8.974
   22   1HD   LYS   2          2HD       LYS   2  -2.392   8.424  10.091
   23   2HD   LYS   2          1HD       LYS   2  -1.669   7.805  11.577
   24   1HE   LYS   2          2HE       LYS   2   0.416   7.433   9.928
   25   2HE   LYS   2          1HE       LYS   2  -0.349   8.785   9.092
   26   1HZ   LYS   2          2HZ       LYS   2  -0.472   9.759  11.484
   27   2HZ   LYS   2          1HZ       LYS   2   0.805   8.679  11.789
   28   3HZ   LYS   2          3HZ       LYS   2   0.970   9.870  10.593
   29    H    ALA   3           H        ALA   3  -3.032   4.494   6.578
   30    HA   ALA   3           HA       ALA   3  -1.381   2.220   7.455
   31   1HB   ALA   3          1HB       ALA   3  -2.556   3.179   4.933
   32   2HB   ALA   3          3HB       ALA   3  -0.922   2.541   4.751
   33   3HB   ALA   3          2HB       ALA   3  -2.191   1.531   5.445
   34    H    VAL   4           H        VAL   4   0.918   2.125   7.050
   35    HA   VAL   4           HA       VAL   4   2.207   4.680   6.282
   36    HB   VAL   4           HB       VAL   4   2.710   3.217   8.889
   37   1HG1  VAL   4          2HG1      VAL   4   4.545   4.623   7.247
   38   2HG1  VAL   4          1HG1      VAL   4   4.149   5.696   8.590
   39   3HG1  VAL   4          3HG1      VAL   4   4.788   4.083   8.908
   40   1HG2  VAL   4          3HG2      VAL   4   1.293   5.687   8.068
   41   2HG2  VAL   4          2HG2      VAL   4   1.051   4.671   9.490
   42   3HG2  VAL   4          1HG2      VAL   4   2.354   5.859   9.466
   43    H    ILE   5           H        ILE   5   3.723   4.228   4.833
   44    HA   ILE   5           HA       ILE   5   4.818   1.476   4.659
   45    HB   ILE   5           HB       ILE   5   5.285   3.746   2.721
   46   1HG1  ILE   5          2HG1      ILE   5   2.767   3.142   3.376
   47   2HG1  ILE   5          1HG1      ILE   5   3.221   3.464   1.717
   48   1HG2  ILE   5          3HG2      ILE   5   5.744   0.834   2.803
   49   2HG2  ILE   5          2HG2      ILE   5   5.056   1.428   1.291
   50   3HG2  ILE   5          1HG2      ILE   5   6.581   2.086   1.884
   51   1HD1  ILE   5          3HD1      ILE   5   3.568   0.655   2.527
   52   2HD1  ILE   5          2HD1      ILE   5   1.899   1.222   2.558
   53   3HD1  ILE   5          1HD1      ILE   5   2.837   1.329   1.068
   54    H    ASN   6           H        ASN   6   6.730   1.151   5.668
   55    HA   ASN   6           HA       ASN   6   8.542   3.495   6.011
   56   1HB   ASN   6          2HB       ASN   6   8.953   0.963   7.541
   57   2HB   ASN   6          1HB       ASN   6   9.227   2.630   8.043
   58   1HD2  ASN   6          2HD2      ASN   6   6.248   2.486   9.886
   59   2HD2  ASN   6          1HD2      ASN   6   7.909   2.834   9.852
   60    H    GLY   7           H        GLY   7   9.601   3.285   3.975
   61   1HA   GLY   7          2HA       GLY   7  10.643   0.781   3.019
   62   2HA   GLY   7          1HA       GLY   7  11.127   2.380   2.440
   63    H    GLU   8           H        GLU   8  11.551   2.746   5.600
   64    HA   GLU   8           HA       GLU   8  14.412   2.381   5.436
   65   1HB   GLU   8          2HB       GLU   8  13.403   4.212   6.759
   66   2HB   GLU   8          1HB       GLU   8  12.675   3.019   7.836
   67   1HG   GLU   8          2HG       GLU   8  14.567   3.068   9.055
   68   2HG   GLU   8          1HG       GLU   8  15.398   2.326   7.687
   69    H    GLN   9           H        GLN   9  11.791   0.415   6.336
   70    HA   GLN   9           HA       GLN   9  13.656  -1.544   7.607
   71   1HB   GLN   9          2HB       GLN   9  11.896  -0.642   9.151
   72   2HB   GLN   9          1HB       GLN   9  10.672  -1.298   8.064
   73   1HG   GLN   9          2HG       GLN   9  11.518  -3.560   8.408
   74   2HG   GLN   9          1HG       GLN   9  12.839  -2.944   9.402
   75   1HE2  GLN   9          2HE2      GLN   9  10.816  -2.491  12.291
   76   2HE2  GLN   9          1HE2      GLN   9  12.310  -2.145  11.564
   77    H    ILE  10           H        ILE  10  11.371  -0.919   5.130
   78    HA   ILE  10           HA       ILE  10  10.609  -3.598   4.478
   79    HB   ILE  10           HB       ILE  10  10.927  -1.174   2.686
   80   1HG1  ILE  10          2HG1      ILE  10   9.287  -1.163   4.691
   81   2HG1  ILE  10          1HG1      ILE  10   8.642  -0.732   3.110
   82   1HG2  ILE  10          1HG2      ILE  10   9.753  -3.918   2.233
   83   2HG2  ILE  10          3HG2      ILE  10   9.213  -2.523   1.297
   84   3HG2  ILE  10          2HG2      ILE  10  10.900  -3.033   1.226
   85   1HD1  ILE  10          2HD1      ILE  10   8.525  -3.598   3.505
   86   2HD1  ILE  10          1HD1      ILE  10   7.714  -2.759   4.827
   87   3HD1  ILE  10          3HD1      ILE  10   7.218  -2.468   3.162
   88    H    ARG  11           H        ARG  11  12.181  -5.115   4.230
   89    HA   ARG  11           HA       ARG  11  14.801  -4.524   3.102
   90   1HB   ARG  11          2HB       ARG  11  13.849  -7.333   3.000
   91   2HB   ARG  11          1HB       ARG  11  15.342  -6.677   3.676
   92   1HG   ARG  11          2HG       ARG  11  13.884  -5.718   5.555
   93   2HG   ARG  11          1HG       ARG  11  12.607  -6.773   4.941
   94   1HD   ARG  11          2HD       ARG  11  13.645  -8.680   5.671
   95   2HD   ARG  11          1HD       ARG  11  15.259  -8.046   5.351
   96    HE   ARG  11           HE       ARG  11  13.644  -7.295   7.756
   97   1HH1  ARG  11          1HH2      ARG  11  16.510  -6.756   6.068
   98   2HH1  ARG  11          2HH2      ARG  11  17.553  -6.954   7.436
   99   1HH2  ARG  11          2HH1      ARG  11  15.021  -8.035   9.545
  100   2HH2  ARG  11          1HH1      ARG  11  16.710  -7.678   9.405
  101    H    SER  12           H        SER  12  11.844  -6.067   1.979
  102    HA   SER  12           HA       SER  12  12.520  -5.346  -0.809
  103   1HB   SER  12          2HB       SER  12  12.990  -7.959   0.153
  104   2HB   SER  12          1HB       SER  12  11.488  -8.055  -0.763
  105    HG   SER  12           HG       SER  12  13.832  -6.763  -1.705
  106    H    ILE  13           H        ILE  13  10.484  -5.985  -2.227
  107    HA   ILE  13           HA       ILE  13   8.218  -4.695  -1.161
  108    HB   ILE  13           HB       ILE  13   8.589  -5.260  -3.593
  109   1HG1  ILE  13          2HG1      ILE  13   6.068  -5.955  -3.871
  110   2HG1  ILE  13          1HG1      ILE  13   6.024  -5.726  -2.123
  111   1HG2  ILE  13          1HG2      ILE  13   7.567  -7.956  -2.659
  112   2HG2  ILE  13          3HG2      ILE  13   7.772  -7.477  -4.344
  113   3HG2  ILE  13          2HG2      ILE  13   9.180  -7.628  -3.293
  114   1HD1  ILE  13          2HD1      ILE  13   7.077  -3.648  -4.056
  115   2HD1  ILE  13          1HD1      ILE  13   5.426  -3.662  -3.435
  116   3HD1  ILE  13          3HD1      ILE  13   6.782  -3.445  -2.330
  117    H    SER  14           H        SER  14   9.396  -7.894  -0.602
  118    HA   SER  14           HA       SER  14   7.025  -9.261   0.105
  119   1HB   SER  14          2HB       SER  14   8.996 -10.565   0.089
  120   2HB   SER  14          1HB       SER  14   9.865  -9.424   1.112
  121    HG   SER  14           HG       SER  14   7.763 -11.193   1.810
  122    H    ASP  15           H        ASP  15   9.111  -7.161   2.108
  123    HA   ASP  15           HA       ASP  15   7.429  -7.375   4.442
  124   1HB   ASP  15          2HB       ASP  15   9.869  -5.975   3.638
  125   2HB   ASP  15          1HB       ASP  15   8.845  -4.997   4.681
  126    H    LEU  16           H        LEU  16   7.332  -5.551   1.550
  127    HA   LEU  16           HA       LEU  16   5.763  -3.310   2.463
  128   1HB   LEU  16          2HB       LEU  16   7.007  -3.454   0.266
  129   2HB   LEU  16          1HB       LEU  16   5.759  -4.559  -0.295
  130    HG   LEU  16           HG       LEU  16   4.327  -2.860  -0.730
  131   1HD1  LEU  16          1HD1      LEU  16   5.154  -1.655   1.929
  132   2HD1  LEU  16          3HD1      LEU  16   3.941  -0.947   0.862
  133   3HD1  LEU  16          2HD1      LEU  16   3.666  -2.534   1.578
  134   1HD2  LEU  16          2HD2      LEU  16   6.806  -1.975  -1.187
  135   2HD2  LEU  16          1HD2      LEU  16   5.387  -0.966  -1.474
  136   3HD2  LEU  16          3HD2      LEU  16   6.317  -0.782   0.014
  137    H    HIS  17           H        HIS  17   4.833  -6.278   0.699
  138    HA   HIS  17           HA       HIS  17   2.057  -5.965   0.806
  139   1HB   HIS  17          2HB       HIS  17   3.610  -8.536   1.144
  140   2HB   HIS  17          1HB       HIS  17   1.958  -8.389   0.540
  141    HD1  HIS  17           HD1      HIS  17   3.197  -9.686  -1.582
  142    HD2  HIS  17           HD2      HIS  17   4.168  -5.667  -1.025
  143    HE1  HIS  17           HE1      HIS  17   4.176  -8.872  -3.768
  144    H    GLN  18           H        GLN  18   4.299  -6.855   3.294
  145    HA   GLN  18           HA       GLN  18   2.250  -7.817   5.136
  146   1HB   GLN  18          2HB       GLN  18   5.122  -7.041   5.698
  147   2HB   GLN  18          1HB       GLN  18   4.069  -7.978   6.759
  148   1HG   GLN  18          2HG       GLN  18   3.828  -9.518   4.613
  149   2HG   GLN  18          1HG       GLN  18   5.379  -8.790   4.192
  150   1HE2  GLN  18          2HE2      GLN  18   7.068 -10.253   7.052
  151   2HE2  GLN  18          1HE2      GLN  18   7.036  -8.827   6.132
  152    H    THR  19           H        THR  19   3.968  -4.844   4.553
  153    HA   THR  19           HA       THR  19   3.072  -3.505   6.949
  154    HB   THR  19           HB       THR  19   4.179  -2.498   4.324
  155    HG1  THR  19           HG1      THR  19   5.377  -3.599   6.181
  156   1HG2  THR  19          1HG2      THR  19   2.634  -1.029   6.224
  157   2HG2  THR  19          3HG2      THR  19   4.313  -0.511   6.371
  158   3HG2  THR  19          2HG2      THR  19   3.495  -0.417   4.811
  159    H    LEU  20           H        LEU  20   1.809  -3.850   3.729
  160    HA   LEU  20           HA       LEU  20  -0.403  -1.971   4.195
  161   1HB   LEU  20          2HB       LEU  20  -0.440  -4.022   2.004
  162   2HB   LEU  20          1HB       LEU  20  -1.026  -2.355   1.976
  163    HG   LEU  20           HG       LEU  20   1.876  -3.172   2.101
  164   1HD1  LEU  20          3HD1      LEU  20   0.042  -2.967  -0.104
  165   2HD1  LEU  20          2HD1      LEU  20   1.295  -1.734  -0.252
  166   3HD1  LEU  20          1HD1      LEU  20   1.742  -3.435  -0.122
  167   1HD2  LEU  20          2HD2      LEU  20   0.968  -0.913   3.102
  168   2HD2  LEU  20          1HD2      LEU  20   2.408  -0.898   2.084
  169   3HD2  LEU  20          3HD2      LEU  20   0.845  -0.442   1.407
  170    H    LYS  21           H        LYS  21   0.242  -5.406   4.169
  171    HA   LYS  21           HA       LYS  21  -2.496  -6.241   4.631
  172   1HB   LYS  21          2HB       LYS  21  -0.967  -7.873   3.768
  173   2HB   LYS  21          1HB       LYS  21   0.185  -7.572   5.074
  174   1HG   LYS  21          2HG       LYS  21  -0.977  -8.856   6.566
  175   2HG   LYS  21          1HG       LYS  21  -2.543  -8.353   5.926
  176   1HD   LYS  21          2HD       LYS  21  -2.610 -10.043   4.381
  177   2HD   LYS  21          1HD       LYS  21  -0.864 -10.021   4.130
  178   1HE   LYS  21          2HE       LYS  21  -1.533 -10.835   6.841
  179   2HE   LYS  21          1HE       LYS  21  -2.294 -11.886   5.647
  180   1HZ   LYS  21          1HZ       LYS  21   0.509 -11.143   5.248
  181   2HZ   LYS  21          3HZ       LYS  21   0.156 -12.284   6.452
  182   3HZ   LYS  21          2HZ       LYS  21  -0.300 -12.581   4.842
  183    H    LYS  22           H        LYS  22   0.032  -4.931   6.591
  184    HA   LYS  22           HA       LYS  22  -1.158  -5.878   9.116
  185   1HB   LYS  22          2HB       LYS  22   1.182  -5.753   9.271
  186   2HB   LYS  22          1HB       LYS  22   1.258  -4.243   8.366
  187   1HG   LYS  22          2HG       LYS  22   0.302  -3.013  10.230
  188   2HG   LYS  22          1HG       LYS  22   0.039  -4.508  11.130
  189   1HD   LYS  22          2HD       LYS  22   2.814  -4.033  10.190
  190   2HD   LYS  22          1HD       LYS  22   2.234  -2.957  11.462
  191   1HE   LYS  22          2HE       LYS  22   1.458  -5.700  12.001
  192   2HE   LYS  22          1HE       LYS  22   3.204  -5.571  11.794
  193   1HZ   LYS  22          3HZ       LYS  22   2.944  -3.529  13.322
  194   2HZ   LYS  22          2HZ       LYS  22   1.466  -4.242  13.764
  195   3HZ   LYS  22          1HZ       LYS  22   2.924  -5.078  14.011
  196    H    GLU  23           H        GLU  23  -0.741  -2.775   7.387
  197    HA   GLU  23           HA       GLU  23  -2.241  -1.295   9.382
  198   1HB   GLU  23          2HB       GLU  23  -1.464  -0.570   6.550
  199   2HB   GLU  23          1HB       GLU  23  -2.153   0.550   7.726
  200   1HG   GLU  23          2HG       GLU  23   0.264  -1.017   8.528
  201   2HG   GLU  23          1HG       GLU  23   0.483   0.337   7.419
  202    H    LEU  24           H        LEU  24  -2.930  -2.244   6.061
  203    HA   LEU  24           HA       LEU  24  -5.678  -1.435   6.105
  204   1HB   LEU  24          2HB       LEU  24  -4.562  -3.670   4.401
  205   2HB   LEU  24          1HB       LEU  24  -5.890  -2.574   4.021
  206    HG   LEU  24           HG       LEU  24  -3.117  -1.500   4.509
  207   1HD1  LEU  24          3HD1      LEU  24  -4.196  -2.881   2.078
  208   2HD1  LEU  24          2HD1      LEU  24  -3.074  -1.535   1.889
  209   3HD1  LEU  24          1HD1      LEU  24  -2.586  -2.970   2.790
  210   1HD2  LEU  24          2HD2      LEU  24  -5.478  -0.241   4.215
  211   2HD2  LEU  24          1HD2      LEU  24  -3.960   0.443   3.641
  212   3HD2  LEU  24          3HD2      LEU  24  -5.028  -0.396   2.516
  213    H    ALA  25           H        ALA  25  -3.979  -4.238   7.257
  214    HA   ALA  25           HA       ALA  25  -4.764  -5.996   8.609
  215   1HB   ALA  25          2HB       ALA  25  -6.686  -3.942   8.900
  216   2HB   ALA  25          1HB       ALA  25  -7.591  -5.428   8.611
  217   3HB   ALA  25          3HB       ALA  25  -6.447  -5.339   9.951
  218    H    LEU  26           H        LEU  26  -4.401  -6.552   5.989
  219    HA   LEU  26           HA       LEU  26  -6.823  -7.621   4.759
  220   1HB   LEU  26          2HB       LEU  26  -3.967  -8.247   3.971
  221   2HB   LEU  26          1HB       LEU  26  -5.405  -8.257   2.948
  222    HG   LEU  26           HG       LEU  26  -4.272  -5.789   4.290
  223   1HD1  LEU  26          3HD1      LEU  26  -3.687  -7.128   1.751
  224   2HD1  LEU  26          2HD1      LEU  26  -4.173  -5.446   1.545
  225   3HD1  LEU  26          1HD1      LEU  26  -2.797  -5.847   2.575
  226   1HD2  LEU  26          2HD2      LEU  26  -6.793  -6.433   2.937
  227   2HD2  LEU  26          1HD2      LEU  26  -6.376  -5.030   3.923
  228   3HD2  LEU  26          3HD2      LEU  26  -5.960  -5.058   2.209
  229    HA   PRO  27           HA       PRO  27  -6.730 -11.655   6.444
  230   1HB   PRO  27          2HB       PRO  27  -7.551 -13.152   4.293
  231   2HB   PRO  27          1HB       PRO  27  -8.629 -12.090   5.220
  232   1HG   PRO  27          2HG       PRO  27  -7.447 -11.669   2.516
  233   2HG   PRO  27          1HG       PRO  27  -8.954 -11.028   3.190
  234   1HD   PRO  27          2HD       PRO  27  -6.520  -9.623   2.916
  235   2HD   PRO  27          1HD       PRO  27  -7.914  -9.106   3.890
  236    H    GLU  28           H        GLU  28  -6.166 -14.099   5.400
  237    HA   GLU  28           HA       GLU  28  -3.253 -14.046   5.178
  238   1HB   GLU  28          2HB       GLU  28  -4.362 -15.777   6.514
  239   2HB   GLU  28          1HB       GLU  28  -5.230 -16.343   5.085
  240   1HG   GLU  28          2HG       GLU  28  -3.486 -17.773   4.832
  241   2HG   GLU  28          1HG       GLU  28  -2.623 -16.366   4.211
  242    H    TYR  29           H        TYR  29  -5.949 -15.078   3.064
  243    HA   TYR  29           HA       TYR  29  -4.222 -15.905   0.918
  244   1HB   TYR  29          2HB       TYR  29  -6.303 -15.813  -0.467
  245   2HB   TYR  29          1HB       TYR  29  -6.485 -16.748   1.019
  246    HD1  TYR  29           HD1      TYR  29  -6.835 -13.197  -0.176
  247    HD2  TYR  29           HD2      TYR  29  -8.343 -16.336   2.343
  248    HE1  TYR  29           HE1      TYR  29  -8.737 -11.751   0.491
  249    HE2  TYR  29           HE2      TYR  29 -10.239 -14.884   3.017
  250    HH   TYR  29           HH       TYR  29 -11.332 -12.462   1.478
  251    H    TYR  30           H        TYR  30  -4.816 -12.856   2.105
  252    HA   TYR  30           HA       TYR  30  -5.249 -10.997   0.201
  253   1HB   TYR  30          2HB       TYR  30  -4.385 -10.367   2.381
  254   2HB   TYR  30          1HB       TYR  30  -2.828 -11.110   2.024
  255    HD1  TYR  30           HD1      TYR  30  -4.873  -9.105  -0.352
  256    HD2  TYR  30           HD2      TYR  30  -1.418  -9.203   2.200
  257    HE1  TYR  30           HE1      TYR  30  -4.085  -6.959  -1.330
  258    HE2  TYR  30           HE2      TYR  30  -0.624  -7.073   1.217
  259    HH   TYR  30           HH       TYR  30  -0.921  -5.618  -0.500
  260    H    GLY  31           H        GLY  31  -4.750 -10.982  -1.929
  261   1HA   GLY  31          2HA       GLY  31  -2.769 -12.547  -3.186
  262   2HA   GLY  31          1HA       GLY  31  -3.485 -11.103  -3.907
  263    H    GLU  32           H        GLU  32  -2.517  -9.389  -1.683
  264    HA   GLU  32           HA       GLU  32  -0.608  -8.146  -1.127
  265   1HB   GLU  32          2HB       GLU  32   0.995 -10.473  -2.205
  266   2HB   GLU  32          1HB       GLU  32   1.503  -9.261  -1.030
  267   1HG   GLU  32          2HG       GLU  32   0.658 -10.467   0.665
  268   2HG   GLU  32          1HG       GLU  32  -0.919 -10.528  -0.122
  269    H    ASN  33           H        ASN  33  -1.882  -7.794  -3.635
  270    HA   ASN  33           HA       ASN  33   0.374  -6.616  -5.132
  271   1HB   ASN  33          2HB       ASN  33  -0.907  -7.580  -7.267
  272   2HB   ASN  33          1HB       ASN  33   0.347  -8.516  -6.455
  273   1HD2  ASN  33          2HD2      ASN  33  -2.142 -11.069  -6.373
  274   2HD2  ASN  33          1HD2      ASN  33  -0.733 -10.535  -7.156
  275    H    LEU  34           H        LEU  34  -1.026  -5.722  -7.341
  276    HA   LEU  34           HA       LEU  34  -2.679  -3.648  -6.145
  277   1HB   LEU  34          2HB       LEU  34  -3.086  -3.101  -8.661
  278   2HB   LEU  34          1HB       LEU  34  -1.464  -2.882  -8.003
  279    HG   LEU  34           HG       LEU  34  -2.053  -5.592  -9.040
  280   1HD1  LEU  34          1HD1      LEU  34  -3.165  -3.935 -10.657
  281   2HD1  LEU  34          3HD1      LEU  34  -1.538  -3.344 -10.995
  282   3HD1  LEU  34          2HD1      LEU  34  -1.959  -5.020 -11.349
  283   1HD2  LEU  34          1HD2      LEU  34   0.161  -4.460  -8.163
  284   2HD2  LEU  34          3HD2      LEU  34   0.227  -5.556  -9.544
  285   3HD2  LEU  34          2HD2      LEU  34   0.244  -3.811  -9.801
  286    H    ASP  35           H        ASP  35  -3.294  -6.790  -7.387
  287    HA   ASP  35           HA       ASP  35  -6.061  -6.230  -8.148
  288   1HB   ASP  35          2HB       ASP  35  -5.940  -8.946  -7.773
  289   2HB   ASP  35          1HB       ASP  35  -5.656  -8.126  -9.302
  290    H    ALA  36           H        ALA  36  -4.500  -8.061  -5.485
  291    HA   ALA  36           HA       ALA  36  -7.027  -8.349  -4.083
  292   1HB   ALA  36          3HB       ALA  36  -4.693  -9.697  -3.926
  293   2HB   ALA  36          2HB       ALA  36  -4.490  -8.596  -2.564
  294   3HB   ALA  36          1HB       ALA  36  -5.877  -9.686  -2.619
  295    H    LEU  37           H        LEU  37  -4.340  -6.143  -3.998
  296    HA   LEU  37           HA       LEU  37  -5.099  -4.767  -1.572
  297   1HB   LEU  37          2HB       LEU  37  -2.840  -4.560  -2.566
  298   2HB   LEU  37          1HB       LEU  37  -3.546  -3.744  -3.961
  299    HG   LEU  37           HG       LEU  37  -4.548  -2.427  -1.665
  300   1HD1  LEU  37          2HD1      LEU  37  -1.571  -2.975  -1.574
  301   2HD1  LEU  37          1HD1      LEU  37  -2.338  -1.647  -0.701
  302   3HD1  LEU  37          3HD1      LEU  37  -2.763  -3.316  -0.320
  303   1HD2  LEU  37          1HD2      LEU  37  -3.510  -1.813  -4.155
  304   2HD2  LEU  37          3HD2      LEU  37  -3.977  -0.629  -2.942
  305   3HD2  LEU  37          2HD2      LEU  37  -2.298  -1.136  -3.062
  306    H    TRP  38           H        TRP  38  -5.523  -4.008  -5.027
  307    HA   TRP  38           HA       TRP  38  -7.199  -1.739  -4.662
  308   1HB   TRP  38          2HB       TRP  38  -6.208  -2.308  -6.840
  309   2HB   TRP  38          1HB       TRP  38  -7.094  -3.822  -6.858
  310    HD1  TRP  38           HD1      TRP  38  -8.985  -3.748  -8.434
  311    HE1  TRP  38           HE1      TRP  38 -10.726  -2.024  -9.229
  312    HE3  TRP  38           HE3      TRP  38  -7.511   0.331  -5.722
  313    HZ2  TRP  38           HZ2      TRP  38 -11.393   0.714  -8.789
  314    HZ3  TRP  38           HZ3      TRP  38  -8.703   2.483  -5.951
  315    HH2  TRP  38           HH2      TRP  38 -10.647   2.679  -7.473
  316    H    ASP  39           H        ASP  39  -7.833  -5.164  -4.867
  317    HA   ASP  39           HA       ASP  39 -10.695  -5.002  -4.734
  318   1HB   ASP  39          2HB       ASP  39  -8.655  -7.092  -4.520
  319   2HB   ASP  39          1HB       ASP  39 -10.042  -7.374  -3.467
  320    H    ALA  40           H        ALA  40  -8.168  -4.805  -2.363
  321    HA   ALA  40           HA       ALA  40  -9.996  -5.134  -0.089
  322   1HB   ALA  40          3HB       ALA  40  -7.383  -5.589  -0.228
  323   2HB   ALA  40          2HB       ALA  40  -7.292  -3.884   0.215
  324   3HB   ALA  40          1HB       ALA  40  -8.125  -5.026   1.271
  325    H    LEU  41           H        LEU  41  -7.796  -2.438  -0.858
  326    HA   LEU  41           HA       LEU  41  -8.948  -0.404   0.564
  327   1HB   LEU  41          2HB       LEU  41  -7.806  -0.371  -2.221
  328   2HB   LEU  41          1HB       LEU  41  -8.356   1.110  -1.439
  329    HG   LEU  41           HG       LEU  41  -6.529  -0.701   0.084
  330   1HD1  LEU  41          2HD1      LEU  41  -5.608  -0.378  -2.279
  331   2HD1  LEU  41          1HD1      LEU  41  -5.501   1.339  -1.904
  332   3HD1  LEU  41          3HD1      LEU  41  -4.560   0.175  -0.967
  333   1HD2  LEU  41          1HD2      LEU  41  -7.676   1.520   0.848
  334   2HD2  LEU  41          3HD2      LEU  41  -5.978   1.252   1.238
  335   3HD2  LEU  41          2HD2      LEU  41  -6.419   2.295  -0.115
  336    H    THR  42           H        THR  42  -9.952  -1.382  -2.661
  337    HA   THR  42           HA       THR  42 -12.356   0.296  -2.515
  338    HB   THR  42           HB       THR  42 -12.729  -0.309  -4.760
  339    HG1  THR  42           HG1      THR  42 -12.584  -2.326  -5.260
  340   1HG2  THR  42          2HG2      THR  42 -10.579   0.917  -4.370
  341   2HG2  THR  42          1HG2      THR  42  -9.740  -0.634  -4.392
  342   3HG2  THR  42          3HG2      THR  42 -10.573  -0.060  -5.836
  343    H    GLY  43           H        GLY  43 -12.392  -1.532  -0.376
  344   1HA   GLY  43          2HA       GLY  43 -14.835  -2.521  -0.097
  345   2HA   GLY  43          1HA       GLY  43 -14.222  -3.699  -1.258
  346    H    TRP  44           H        TRP  44 -12.365  -2.244   1.444
  347    HA   TRP  44           HA       TRP  44 -12.688  -4.600   3.124
  348   1HB   TRP  44          2HB       TRP  44 -11.169  -5.596   1.491
  349   2HB   TRP  44          1HB       TRP  44 -10.079  -4.216   1.633
  350    HD1  TRP  44           HD1      TRP  44  -9.024  -3.806   4.156
  351    HE1  TRP  44           HE1      TRP  44  -8.270  -5.553   5.895
  352    HE3  TRP  44           HE3      TRP  44 -11.489  -7.914   2.401
  353    HZ2  TRP  44           HZ2      TRP  44  -8.663  -8.330   6.466
  354    HZ3  TRP  44           HZ3      TRP  44 -11.284 -10.096   3.559
  355    HH2  TRP  44           HH2      TRP  44  -9.874 -10.309   5.587
  356    H    VAL  45           H        VAL  45 -10.303  -2.115   2.303
  357    HA   VAL  45           HA       VAL  45  -9.497  -1.586   4.994
  358    HB   VAL  45           HB       VAL  45  -9.217  -0.300   2.324
  359   1HG1  VAL  45          1HG1      VAL  45  -8.570   1.122   4.908
  360   2HG1  VAL  45          3HG1      VAL  45  -8.053   1.639   3.303
  361   3HG1  VAL  45          2HG1      VAL  45  -9.769   1.616   3.711
  362   1HG2  VAL  45          1HG2      VAL  45  -7.679  -2.055   3.254
  363   2HG2  VAL  45          3HG2      VAL  45  -6.869  -0.556   2.801
  364   3HG2  VAL  45          2HG2      VAL  45  -7.205  -0.898   4.499
  365    H    GLU  46           H        GLU  46  -9.909   0.578   6.085
  366    HA   GLU  46           HA       GLU  46 -12.764   1.378   5.696
  367   1HB   GLU  46          2HB       GLU  46 -11.196   0.707   8.085
  368   2HB   GLU  46          1HB       GLU  46 -12.053   2.242   8.229
  369   1HG   GLU  46          2HG       GLU  46 -14.018   0.759   7.135
  370   2HG   GLU  46          1HG       GLU  46 -13.139  -0.517   7.977
  371    H    TYR  47           H        TYR  47 -12.982   3.384   4.891
  372    HA   TYR  47           HA       TYR  47 -10.712   5.281   5.135
  373   1HB   TYR  47          2HB       TYR  47 -13.214   5.431   3.424
  374   2HB   TYR  47          1HB       TYR  47 -11.804   6.487   3.301
  375    HD1  TYR  47           HD2      TYR  47  -9.548   4.638   3.614
  376    HD2  TYR  47           HD1      TYR  47 -13.238   4.133   1.466
  377    HE1  TYR  47           HE2      TYR  47  -8.449   2.995   2.112
  378    HE2  TYR  47           HE1      TYR  47 -12.134   2.492  -0.032
  379    HH   TYR  47           HH       TYR  47  -9.960   1.861  -0.771
  380    HA   PRO  48           HA       PRO  48 -10.974   7.657   4.370
  381   1HB   PRO  48          2HB       PRO  48  -9.859   9.643   5.912
  382   2HB   PRO  48          1HB       PRO  48 -11.330   9.844   4.939
  383   1HG   PRO  48          2HG       PRO  48 -11.060   9.498   7.896
  384   2HG   PRO  48          1HG       PRO  48 -12.304  10.358   6.972
  385   1HD   PRO  48          2HD       PRO  48 -12.622   7.815   8.109
  386   2HD   PRO  48          1HD       PRO  48 -13.636   8.490   6.813
  387    H    LEU  49           H        LEU  49  -8.918   6.963   4.056
  388    HA   LEU  49           HA       LEU  49  -7.487   5.809   6.405
  389   1HB   LEU  49          2HB       LEU  49  -7.882   4.042   4.930
  390   2HB   LEU  49          1HB       LEU  49  -7.717   5.067   3.506
  391    HG   LEU  49           HG       LEU  49  -5.225   5.274   4.169
  392   1HD1  LEU  49          2HD1      LEU  49  -5.711   4.266   6.483
  393   2HD1  LEU  49          1HD1      LEU  49  -5.861   2.717   5.655
  394   3HD1  LEU  49          3HD1      LEU  49  -4.332   3.592   5.614
  395   1HD2  LEU  49          1HD2      LEU  49  -6.717   3.242   2.775
  396   2HD2  LEU  49          3HD2      LEU  49  -5.130   3.914   2.390
  397   3HD2  LEU  49          2HD2      LEU  49  -5.267   2.542   3.492
  398    H    VAL  50           H        VAL  50  -5.077   5.992   6.312
  399    HA   VAL  50           HA       VAL  50  -4.199   8.428   4.813
  400    HB   VAL  50           HB       VAL  50  -4.108   7.811   7.693
  401   1HG1  VAL  50          1HG1      VAL  50  -1.592   8.602   6.224
  402   2HG1  VAL  50          3HG1      VAL  50  -1.873   9.103   7.892
  403   3HG1  VAL  50          2HG1      VAL  50  -1.790   7.389   7.489
  404   1HG2  VAL  50          1HG2      VAL  50  -3.689  10.309   6.031
  405   2HG2  VAL  50          3HG2      VAL  50  -5.204   9.788   6.768
  406   3HG2  VAL  50          2HG2      VAL  50  -3.852  10.282   7.787
  407    H    LEU  51           H        LEU  51  -3.092   7.359   3.145
  408    HA   LEU  51           HA       LEU  51  -1.326   5.091   3.780
  409   1HB   LEU  51          2HB       LEU  51  -2.621   5.255   1.618
  410   2HB   LEU  51          1HB       LEU  51  -1.583   6.614   1.175
  411    HG   LEU  51           HG       LEU  51   0.385   4.980   1.636
  412   1HD1  LEU  51          2HD1      LEU  51  -1.978   3.230   1.797
  413   2HD1  LEU  51          1HD1      LEU  51  -0.638   2.619   0.816
  414   3HD1  LEU  51          3HD1      LEU  51  -0.380   3.031   2.519
  415   1HD2  LEU  51          1HD2      LEU  51  -1.507   4.762  -0.691
  416   2HD2  LEU  51          3HD2      LEU  51  -0.022   5.711  -0.588
  417   3HD2  LEU  51          2HD2      LEU  51   0.056   3.950  -0.663
  418    H    GLU  52           H        GLU  52  -0.136   6.681   5.335
  419    HA   GLU  52           HA       GLU  52   1.548   8.732   4.223
  420   1HB   GLU  52          2HB       GLU  52   1.139   8.746   6.598
  421   2HB   GLU  52          1HB       GLU  52   1.731   7.091   6.766
  422   1HG   GLU  52          2HG       GLU  52   3.882   7.773   6.883
  423   2HG   GLU  52          1HG       GLU  52   3.694   8.844   5.495
  424    H    TRP  53           H        TRP  53   2.461   7.640   2.317
  425    HA   TRP  53           HA       TRP  53   4.100   5.268   2.714
  426   1HB   TRP  53          2HB       TRP  53   2.848   6.075   0.551
  427   2HB   TRP  53          1HB       TRP  53   4.331   6.999   0.275
  428    HD1  TRP  53           HD1      TRP  53   6.638   5.292   0.888
  429    HE1  TRP  53           HE1      TRP  53   7.058   2.962  -0.129
  430    HE3  TRP  53           HE3      TRP  53   1.906   4.121  -0.600
  431    HZ2  TRP  53           HZ2      TRP  53   5.572   0.881  -1.397
  432    HZ3  TRP  53           HZ3      TRP  53   1.427   1.968  -1.713
  433    HH2  TRP  53           HH2      TRP  53   3.259   0.334  -2.112
  434    H    ARG  54           H        ARG  54   5.774   5.799   4.161
  435    HA   ARG  54           HA       ARG  54   7.318   8.198   4.073
  436   1HB   ARG  54          2HB       ARG  54   8.300   5.486   5.000
  437   2HB   ARG  54          1HB       ARG  54   8.851   7.070   5.545
  438   1HG   ARG  54          2HG       ARG  54   6.315   7.406   6.183
  439   2HG   ARG  54          1HG       ARG  54   6.285   5.642   6.167
  440   1HD   ARG  54          2HD       ARG  54   6.837   6.763   8.413
  441   2HD   ARG  54          1HD       ARG  54   7.932   5.491   7.873
  442    HE   ARG  54           HE       ARG  54   9.626   7.119   7.701
  443   1HH1  ARG  54          2HH1      ARG  54   7.213   8.625   9.286
  444   2HH1  ARG  54          1HH1      ARG  54   7.481  10.213   8.649
  445   1HH2  ARG  54          1HH2      ARG  54   9.674   9.144   6.185
  446   2HH2  ARG  54          2HH2      ARG  54   8.874  10.507   6.894
  447    H    GLN  55           H        GLN  55   9.938   6.500   3.978
  448    HA   GLN  55           HA       GLN  55  10.954   7.289   1.539
  449   1HB   GLN  55          2HB       GLN  55  11.532   4.956   3.320
  450   2HB   GLN  55          1HB       GLN  55  12.287   4.992   1.727
  451   1HG   GLN  55          2HG       GLN  55  13.721   6.072   3.437
  452   2HG   GLN  55          1HG       GLN  55  13.213   7.219   2.196
  453   1HE2  GLN  55          2HE2      GLN  55  11.519   9.293   4.480
  454   2HE2  GLN  55          1HE2      GLN  55  12.101   9.070   2.901
  455    H    PHE  56           H        PHE  56   9.714   7.098  -0.305
  456    HA   PHE  56           HA       PHE  56   8.410   4.524  -0.933
  457   1HB   PHE  56          2HB       PHE  56   7.166   6.579  -1.387
  458   2HB   PHE  56          1HB       PHE  56   8.473   7.172  -2.411
  459    HD1  PHE  56           HD1      PHE  56   8.932   6.139  -4.602
  460    HD2  PHE  56           HD2      PHE  56   5.661   4.828  -2.145
  461    HE1  PHE  56           HE1      PHE  56   7.955   4.948  -6.537
  462    HE2  PHE  56           HE2      PHE  56   4.684   3.637  -4.080
  463    HZ   PHE  56           HZ       PHE  56   5.830   3.695  -6.281
  464    H    GLU  57           H        GLU  57  11.445   5.883  -1.367
  465    HA   GLU  57           HA       GLU  57  11.983   4.934  -4.064
  466   1HB   GLU  57          2HB       GLU  57  13.326   6.747  -3.169
  467   2HB   GLU  57          1HB       GLU  57  13.822   5.756  -1.797
  468   1HG   GLU  57          2HG       GLU  57  15.310   4.525  -3.044
  469   2HG   GLU  57          1HG       GLU  57  14.342   4.649  -4.513
  470    H    GLN  58           H        GLN  58  13.438   3.871  -0.965
  471    HA   GLN  58           HA       GLN  58  14.449   1.424  -1.905
  472   1HB   GLN  58          2HB       GLN  58  13.959   0.687   0.588
  473   2HB   GLN  58          1HB       GLN  58  15.185   1.906   0.240
  474   1HG   GLN  58          2HG       GLN  58  12.536   3.094   0.473
  475   2HG   GLN  58          1HG       GLN  58  12.982   2.213   1.933
  476   1HE2  GLN  58          2HE2      GLN  58  15.161   4.756   2.986
  477   2HE2  GLN  58          1HE2      GLN  58  14.159   3.448   3.395
  478    H    SER  59           H        SER  59  13.612  -0.659  -2.067
  479    HA   SER  59           HA       SER  59  11.988  -2.380  -2.032
  480   1HB   SER  59          2HB       SER  59  10.094  -2.174  -0.742
  481   2HB   SER  59          1HB       SER  59  11.021  -0.831  -0.070
  482    HG   SER  59           HG       SER  59   8.996  -0.768  -2.055
  483    H    LYS  60           H        LYS  60  11.278   0.797  -3.375
  484    HA   LYS  60           HA       LYS  60   9.352  -0.231  -5.313
  485   1HB   LYS  60          2HB       LYS  60   9.327   2.110  -4.412
  486   2HB   LYS  60          1HB       LYS  60  10.825   2.412  -5.302
  487   1HG   LYS  60          2HG       LYS  60   8.646   1.194  -6.894
  488   2HG   LYS  60          1HG       LYS  60   8.333   2.840  -6.337
  489   1HD   LYS  60          2HD       LYS  60  10.126   3.730  -7.523
  490   2HD   LYS  60          1HD       LYS  60  11.004   2.200  -7.543
  491   1HE   LYS  60          2HE       LYS  60   8.787   1.492  -8.939
  492   2HE   LYS  60          1HE       LYS  60   8.901   3.195  -9.381
  493   1HZ   LYS  60          2HZ       LYS  60  11.325   2.716  -9.841
  494   2HZ   LYS  60          1HZ       LYS  60  10.921   1.068  -9.758
  495   3HZ   LYS  60          3HZ       LYS  60  10.205   2.056 -10.935
  496    H    GLN  61           H        GLN  61  12.702   1.031  -5.501
  497    HA   GLN  61           HA       GLN  61  12.927   0.237  -8.315
  498   1HB   GLN  61          2HB       GLN  61  14.134   2.212  -7.282
  499   2HB   GLN  61          1HB       GLN  61  15.136   1.047  -6.414
  500   1HG   GLN  61          2HG       GLN  61  16.389   1.541  -8.361
  501   2HG   GLN  61          1HG       GLN  61  15.604   0.006  -8.731
  502   1HE2  GLN  61          2HE2      GLN  61  15.029   2.351 -11.602
  503   2HE2  GLN  61          1HE2      GLN  61  16.412   1.721 -10.846
  504    H    LEU  62           H        LEU  62  13.326  -1.196  -5.287
  505    HA   LEU  62           HA       LEU  62  15.342  -3.153  -5.997
  506   1HB   LEU  62          2HB       LEU  62  13.341  -2.963  -3.726
  507   2HB   LEU  62          1HB       LEU  62  14.539  -4.253  -3.860
  508    HG   LEU  62           HG       LEU  62  16.364  -2.667  -3.712
  509   1HD1  LEU  62          1HD1      LEU  62  14.183  -0.556  -3.834
  510   2HD1  LEU  62          3HD1      LEU  62  15.841  -0.216  -3.339
  511   3HD1  LEU  62          2HD1      LEU  62  15.512  -0.788  -4.972
  512   1HD2  LEU  62          1HD2      LEU  62  14.225  -2.745  -1.707
  513   2HD2  LEU  62          3HD2      LEU  62  15.964  -2.963  -1.502
  514   3HD2  LEU  62          2HD2      LEU  62  15.276  -1.338  -1.556
  515    H    THR  63           H        THR  63  12.224  -2.728  -7.017
  516    HA   THR  63           HA       THR  63  11.968  -5.616  -7.692
  517    HB   THR  63           HB       THR  63  10.467  -4.985  -5.764
  518    HG1  THR  63           HG1      THR  63   8.669  -5.976  -6.686
  519   1HG2  THR  63          2HG2      THR  63  10.085  -2.645  -6.711
  520   2HG2  THR  63          1HG2      THR  63   8.927  -3.392  -7.807
  521   3HG2  THR  63          3HG2      THR  63   8.668  -3.471  -6.066
  522    H    GLU  64           H        GLU  64   9.287  -4.773  -8.949
  523    HA   GLU  64           HA       GLU  64  10.431  -3.241 -11.239
  524   1HB   GLU  64          2HB       GLU  64   8.672  -4.682 -12.571
  525   2HB   GLU  64          1HB       GLU  64  10.249  -5.370 -12.179
  526   1HG   GLU  64          2HG       GLU  64   8.649  -7.031 -11.559
  527   2HG   GLU  64          1HG       GLU  64   9.167  -6.281 -10.049
  528    H    ASN  65           H        ASN  65   7.705  -3.888  -9.133
  529    HA   ASN  65           HA       ASN  65   6.583  -1.302  -9.483
  530   1HB   ASN  65          2HB       ASN  65   4.841  -1.598 -11.018
  531   2HB   ASN  65          1HB       ASN  65   6.144  -2.528 -11.754
  532   1HD2  ASN  65          2HD2      ASN  65   3.015  -4.627 -11.643
  533   2HD2  ASN  65          1HD2      ASN  65   3.366  -3.094 -12.281
  534    H    GLY  66           H        GLY  66   7.140  -3.132  -7.354
  535   1HA   GLY  66          2HA       GLY  66   4.591  -4.254  -6.448
  536   2HA   GLY  66          1HA       GLY  66   6.099  -4.226  -5.527
  537    H    ALA  67           H        ALA  67   6.768  -1.691  -5.190
  538    HA   ALA  67           HA       ALA  67   4.735  -0.659  -3.404
  539   1HB   ALA  67          2HB       ALA  67   7.413   0.358  -4.354
  540   2HB   ALA  67          1HB       ALA  67   6.362   1.354  -3.346
  541   3HB   ALA  67          3HB       ALA  67   6.957  -0.192  -2.742
  542    H    GLU  68           H        GLU  68   5.958   0.301  -6.608
  543    HA   GLU  68           HA       GLU  68   4.380   2.659  -6.832
  544   1HB   GLU  68          2HB       GLU  68   6.333   1.481  -8.353
  545   2HB   GLU  68          1HB       GLU  68   4.896   1.201  -9.337
  546   1HG   GLU  68          2HG       GLU  68   4.503   3.796  -8.604
  547   2HG   GLU  68          1HG       GLU  68   6.265   3.741  -8.676
  548    H    SER  69           H        SER  69   3.599  -0.698  -7.089
  549    HA   SER  69           HA       SER  69   1.151  -0.201  -8.642
  550   1HB   SER  69          2HB       SER  69   2.431  -2.649  -7.440
  551   2HB   SER  69          1HB       SER  69   0.770  -2.699  -8.023
  552    HG   SER  69           HG       SER  69   2.461  -3.250  -9.585
  553    H    VAL  70           H        VAL  70   1.844  -1.430  -5.317
  554    HA   VAL  70           HA       VAL  70  -0.805  -1.447  -4.407
  555    HB   VAL  70           HB       VAL  70   1.716  -0.629  -2.923
  556   1HG1  VAL  70          2HG1      VAL  70  -0.996  -0.200  -2.180
  557   2HG1  VAL  70          1HG1      VAL  70  -0.411  -1.540  -1.205
  558   3HG1  VAL  70          3HG1      VAL  70   0.435   0.008  -1.172
  559   1HG2  VAL  70          1HG2      VAL  70   1.295  -3.049  -3.828
  560   2HG2  VAL  70          3HG2      VAL  70   1.794  -2.858  -2.147
  561   3HG2  VAL  70          2HG2      VAL  70   0.098  -3.148  -2.536
  562    H    LEU  71           H        LEU  71   1.415   1.106  -5.121
  563    HA   LEU  71           HA       LEU  71  -0.201   3.118  -3.839
  564   1HB   LEU  71          2HB       LEU  71   2.342   3.212  -4.269
  565   2HB   LEU  71          1HB       LEU  71   1.908   3.675  -5.914
  566    HG   LEU  71           HG       LEU  71   0.809   5.644  -5.183
  567   1HD1  LEU  71          3HD1      LEU  71   0.741   4.210  -2.567
  568   2HD1  LEU  71          2HD1      LEU  71   0.799   5.976  -2.533
  569   3HD1  LEU  71          1HD1      LEU  71  -0.525   5.151  -3.368
  570   1HD2  LEU  71          2HD2      LEU  71   3.436   5.357  -4.842
  571   2HD2  LEU  71          1HD2      LEU  71   2.611   6.843  -4.374
  572   3HD2  LEU  71          3HD2      LEU  71   3.000   5.629  -3.155
  573    H    GLN  72           H        GLN  72   0.369   2.114  -7.236
  574    HA   GLN  72           HA       GLN  72  -1.265   4.065  -8.449
  575   1HB   GLN  72          2HB       GLN  72  -0.547   1.242  -9.101
  576   2HB   GLN  72          1HB       GLN  72  -1.908   1.950  -9.972
  577   1HG   GLN  72          2HG       GLN  72  -0.562   3.720 -10.838
  578   2HG   GLN  72          1HG       GLN  72   0.760   3.350  -9.730
  579   1HE2  GLN  72          2HE2      GLN  72   0.335   0.227 -12.286
  580   2HE2  GLN  72          1HE2      GLN  72  -0.879   0.621 -11.168
  581    H    VAL  73           H        VAL  73  -2.052   1.324  -6.511
  582    HA   VAL  73           HA       VAL  73  -4.925   1.426  -7.084
  583    HB   VAL  73           HB       VAL  73  -3.311  -0.134  -5.059
  584   1HG1  VAL  73          1HG1      VAL  73  -5.849   0.416  -4.620
  585   2HG1  VAL  73          3HG1      VAL  73  -6.112  -0.782  -5.881
  586   3HG1  VAL  73          2HG1      VAL  73  -5.258  -1.230  -4.411
  587   1HG2  VAL  73          1HG2      VAL  73  -3.328  -0.403  -7.737
  588   2HG2  VAL  73          3HG2      VAL  73  -3.220  -1.794  -6.656
  589   3HG2  VAL  73          2HG2      VAL  73  -4.776  -1.338  -7.359
  590    H    PHE  74           H        PHE  74  -2.890   2.135  -4.222
  591    HA   PHE  74           HA       PHE  74  -4.879   2.954  -2.481
  592   1HB   PHE  74          2HB       PHE  74  -1.997   3.504  -2.864
  593   2HB   PHE  74          1HB       PHE  74  -2.876   4.695  -1.924
  594    HD1  PHE  74           HD2      PHE  74  -4.484   3.745  -0.057
  595    HD2  PHE  74           HD1      PHE  74  -1.241   1.562  -1.823
  596    HE1  PHE  74           HE2      PHE  74  -4.489   2.163   1.842
  597    HE2  PHE  74           HE1      PHE  74  -1.254  -0.006   0.093
  598    HZ   PHE  74           HZ       PHE  74  -2.887   0.306   1.916
  599    H    ARG  75           H        ARG  75  -2.985   4.895  -4.741
  600    HA   ARG  75           HA       ARG  75  -4.498   7.300  -4.505
  601   1HB   ARG  75          2HB       ARG  75  -2.630   6.163  -6.563
  602   2HB   ARG  75          1HB       ARG  75  -3.568   7.603  -6.958
  603   1HG   ARG  75          2HG       ARG  75  -2.704   8.677  -4.867
  604   2HG   ARG  75          1HG       ARG  75  -1.672   7.267  -4.619
  605   1HD   ARG  75          2HD       ARG  75  -1.554   9.305  -6.841
  606   2HD   ARG  75          1HD       ARG  75  -0.270   8.808  -5.739
  607    HE   ARG  75           HE       ARG  75  -0.695   6.484  -7.023
  608   1HH1  ARG  75          1HH2      ARG  75  -1.973   7.127  -9.373
  609   2HH1  ARG  75          2HH2      ARG  75  -0.784   7.823 -10.422
  610   1HH2  ARG  75          2HH1      ARG  75   1.457   8.505  -7.866
  611   2HH2  ARG  75          1HH1      ARG  75   1.157   8.603  -9.569
  612    H    GLU  76           H        GLU  76  -4.796   4.493  -6.754
  613    HA   GLU  76           HA       GLU  76  -6.859   5.577  -8.375
  614   1HB   GLU  76          2HB       GLU  76  -5.879   2.881  -7.690
  615   2HB   GLU  76          1HB       GLU  76  -7.560   2.945  -8.221
  616   1HG   GLU  76          2HG       GLU  76  -7.002   3.871 -10.298
  617   2HG   GLU  76          1HG       GLU  76  -5.422   4.414  -9.734
  618    H    ALA  77           H        ALA  77  -6.950   4.382  -5.113
  619    HA   ALA  77           HA       ALA  77  -9.866   4.130  -5.036
  620   1HB   ALA  77          1HB       ALA  77  -7.873   3.044  -3.527
  621   2HB   ALA  77          3HB       ALA  77  -8.338   4.406  -2.509
  622   3HB   ALA  77          2HB       ALA  77  -9.539   3.200  -2.965
  623    H    LYS  78           H        LYS  78  -7.465   6.338  -3.531
  624    HA   LYS  78           HA       LYS  78  -9.390   8.171  -2.527
  625   1HB   LYS  78          2HB       LYS  78  -7.552   9.530  -2.045
  626   2HB   LYS  78          1HB       LYS  78  -6.822   7.933  -2.088
  627   1HG   LYS  78          2HG       LYS  78  -5.371   8.788  -3.593
  628   2HG   LYS  78          1HG       LYS  78  -6.711   8.770  -4.739
  629   1HD   LYS  78          2HD       LYS  78  -5.953  11.008  -4.796
  630   2HD   LYS  78          1HD       LYS  78  -7.350  11.063  -3.719
  631   1HE   LYS  78          2HE       LYS  78  -5.941  12.071  -2.254
  632   2HE   LYS  78          1HE       LYS  78  -5.309  10.447  -1.978
  633   1HZ   LYS  78          3HZ       LYS  78  -4.006  11.195  -4.205
  634   2HZ   LYS  78          2HZ       LYS  78  -4.125  12.674  -3.378
  635   3HZ   LYS  78          1HZ       LYS  78  -3.384  11.339  -2.634
  636    H    ALA  79           H        ALA  79  -8.446   7.441  -5.710
  637    HA   ALA  79           HA       ALA  79  -9.114  10.090  -6.828
  638   1HB   ALA  79          1HB       ALA  79  -7.470   8.011  -7.654
  639   2HB   ALA  79          3HB       ALA  79  -8.889   7.832  -8.690
  640   3HB   ALA  79          2HB       ALA  79  -7.995   9.358  -8.666
  641    H    GLU  80           H        GLU  80 -10.121   6.826  -7.746
  642    HA   GLU  80           HA       GLU  80 -12.492   7.458  -9.030
  643   1HB   GLU  80          2HB       GLU  80 -12.117   5.029  -7.267
  644   2HB   GLU  80          1HB       GLU  80 -13.128   5.175  -8.703
  645   1HG   GLU  80          2HG       GLU  80 -10.429   5.937  -9.349
  646   2HG   GLU  80          1HG       GLU  80 -10.437   4.340  -8.602
  647    H    GLY  81           H        GLY  81 -12.396   6.286  -5.619
  648   1HA   GLY  81          2HA       GLY  81 -14.388   8.328  -4.896
  649   2HA   GLY  81          1HA       GLY  81 -15.001   6.673  -4.879
  650    H    ALA  82           H        ALA  82 -12.513   5.477  -3.958
  651    HA   ALA  82           HA       ALA  82 -12.830   5.283  -1.253
  652   1HB   ALA  82          2HB       ALA  82 -10.852   4.535  -3.049
  653   2HB   ALA  82          1HB       ALA  82  -9.987   5.536  -1.881
  654   3HB   ALA  82          3HB       ALA  82 -10.894   4.125  -1.334
  655    H    ASP  83           H        ASP  83 -12.025   6.359   0.609
  656    HA   ASP  83           HA       ASP  83 -11.309   9.220   0.142
  657   1HB   ASP  83          2HB       ASP  83 -12.977   7.811   2.132
  658   2HB   ASP  83          1HB       ASP  83 -11.897   9.024   2.821
  659    H    ILE  84           H        ILE  84  -9.155   7.871  -0.293
  660    HA   ILE  84           HA       ILE  84  -7.722   7.481   2.291
  661    HB   ILE  84           HB       ILE  84  -7.124   6.518  -0.518
  662   1HG1  ILE  84          2HG1      ILE  84  -7.316   4.659   1.747
  663   2HG1  ILE  84          1HG1      ILE  84  -8.818   5.507   1.380
  664   1HG2  ILE  84          3HG2      ILE  84  -5.097   7.176   0.938
  665   2HG2  ILE  84          2HG2      ILE  84  -5.583   5.850   1.996
  666   3HG2  ILE  84          1HG2      ILE  84  -5.126   5.522   0.323
  667   1HD1  ILE  84          3HD1      ILE  84  -7.304   4.434  -0.941
  668   2HD1  ILE  84          2HD1      ILE  84  -8.076   3.248   0.112
  669   3HD1  ILE  84          1HD1      ILE  84  -9.043   4.500  -0.662
  670    H    THR  85           H        THR  85  -5.673   8.465   2.583
  671    HA   THR  85           HA       THR  85  -5.175  10.821   0.819
  672    HB   THR  85           HB       THR  85  -4.024  10.510   3.586
  673    HG1  THR  85           HG1      THR  85  -6.421  11.883   3.202
  674   1HG2  THR  85          1HG2      THR  85  -3.395  12.333   1.873
  675   2HG2  THR  85          3HG2      THR  85  -4.999  12.995   2.183
  676   3HG2  THR  85          2HG2      THR  85  -3.830  12.866   3.497
  677    H    ILE  86           H        ILE  86  -3.763   9.912  -0.672
  678    HA   ILE  86           HA       ILE  86  -1.642   8.116   0.215
  679    HB   ILE  86           HB       ILE  86  -2.754   9.039  -2.360
  680   1HG1  ILE  86          2HG1      ILE  86  -2.590   6.733  -2.903
  681   2HG1  ILE  86          1HG1      ILE  86  -1.327   6.458  -1.708
  682   1HG2  ILE  86          3HG2      ILE  86   0.190   8.738  -1.936
  683   2HG2  ILE  86          2HG2      ILE  86  -0.501   8.028  -3.392
  684   3HG2  ILE  86          1HG2      ILE  86  -0.680   9.755  -3.084
  685   1HD1  ILE  86          1HD1      ILE  86  -3.615   7.489  -0.330
  686   2HD1  ILE  86          3HD1      ILE  86  -4.156   6.189  -1.386
  687   3HD1  ILE  86          2HD1      ILE  86  -2.894   5.885  -0.192
  688    H    ILE  87           H        ILE  87   0.136   8.861   1.162
  689    HA   ILE  87           HA       ILE  87   1.117  11.577   0.354
  690    HB   ILE  87           HB       ILE  87   1.403  10.090   2.978
  691   1HG1  ILE  87          2HG1      ILE  87   0.362  12.793   3.071
  692   2HG1  ILE  87          1HG1      ILE  87  -0.597  11.800   1.973
  693   1HG2  ILE  87          2HG2      ILE  87   3.433  11.456   2.162
  694   2HG2  ILE  87          1HG2      ILE  87   2.405  12.873   2.376
  695   3HG2  ILE  87          3HG2      ILE  87   2.791  11.847   3.757
  696   1HD1  ILE  87          1HD1      ILE  87   0.019  10.251   4.308
  697   2HD1  ILE  87          3HD1      ILE  87  -0.653  11.800   4.818
  698   3HD1  ILE  87          2HD1      ILE  87  -1.562  10.763   3.719
  699    H    LEU  88           H        LEU  88   3.375  11.824   0.008
  700    HA   LEU  88           HA       LEU  88   5.067   9.397   0.127
  701   1HB   LEU  88          2HB       LEU  88   4.270  10.839  -2.393
  702   2HB   LEU  88          1HB       LEU  88   5.836  10.034  -2.289
  703    HG   LEU  88           HG       LEU  88   3.874   8.256  -1.227
  704   1HD1  LEU  88          3HD1      LEU  88   2.637   9.965  -3.014
  705   2HD1  LEU  88          2HD1      LEU  88   3.112   8.611  -4.040
  706   3HD1  LEU  88          1HD1      LEU  88   2.094   8.332  -2.627
  707   1HD2  LEU  88          1HD2      LEU  88   6.120   7.898  -2.481
  708   2HD2  LEU  88          3HD2      LEU  88   4.809   6.762  -2.802
  709   3HD2  LEU  88          2HD2      LEU  88   5.157   8.054  -3.951
  710    H    SER  89           HN       SER  89   4.802  12.865  -0.594
  711    HA   SER  89           HA       SER  89   6.378  14.592  -0.344
  712   1HB   SER  89          2HB       SER  89   6.201  13.125   2.044
  713   2HB   SER  89          1HB       SER  89   7.931  13.338   1.768
  714    HG   SER  89           HG       SER  89   5.944  15.202   2.295
   
  No H/Q in entry =         714
  Start of MODEL    2
    1   1H    LYS   1          2H        LYS   1  -8.625   5.107   8.055
    2   2H    LYS   1          1H        LYS   1  -9.517   4.204   9.184
    3   3H    LYS   1          3H        LYS   1  -8.773   5.652   9.657
    4    HA   LYS   1           HA       LYS   1  -7.385   3.986  10.498
    5   1HB   LYS   1          2HB       LYS   1  -7.916   2.710   7.817
    6   2HB   LYS   1          1HB       LYS   1  -6.517   2.236   8.782
    7   1HG   LYS   1          2HG       LYS   1  -8.672   2.293  10.587
    8   2HG   LYS   1          1HG       LYS   1  -9.303   1.515   9.135
    9   1HD   LYS   1          2HD       LYS   1  -7.080   0.151   9.189
   10   2HD   LYS   1          1HD       LYS   1  -6.994   0.670  10.873
   11   1HE   LYS   1          2HE       LYS   1  -9.154  -0.325  11.350
   12   2HE   LYS   1          1HE       LYS   1  -9.396  -0.712   9.647
   13   1HZ   LYS   1          1HZ       LYS   1  -6.920  -1.734  10.597
   14   2HZ   LYS   1          3HZ       LYS   1  -8.207  -2.304  11.544
   15   3HZ   LYS   1          2HZ       LYS   1  -8.212  -2.558   9.864
   16    H    LYS   2           H        LYS   2  -4.996   3.843  10.119
   17    HA   LYS   2           HA       LYS   2  -4.113   5.747   8.005
   18   1HB   LYS   2          2HB       LYS   2  -2.832   7.013   9.473
   19   2HB   LYS   2          1HB       LYS   2  -4.218   6.621  10.485
   20   1HG   LYS   2          2HG       LYS   2  -2.914   4.648  11.366
   21   2HG   LYS   2          1HG       LYS   2  -1.513   5.256  10.483
   22   1HD   LYS   2          2HD       LYS   2  -3.045   6.982  12.434
   23   2HD   LYS   2          1HD       LYS   2  -1.705   5.956  12.946
   24   1HE   LYS   2          2HE       LYS   2  -0.670   7.229  10.721
   25   2HE   LYS   2          1HE       LYS   2  -1.653   8.490  11.467
   26   1HZ   LYS   2          3HZ       LYS   2  -0.537   7.852  13.613
   27   2HZ   LYS   2          2HZ       LYS   2   0.558   6.942  12.686
   28   3HZ   LYS   2          1HZ       LYS   2   0.451   8.624  12.472
   29    H    ALA   3           H        ALA   3  -2.977   4.515   6.620
   30    HA   ALA   3           HA       ALA   3  -1.315   2.289   7.658
   31   1HB   ALA   3          1HB       ALA   3  -2.622   2.941   5.106
   32   2HB   ALA   3          3HB       ALA   3  -0.968   2.356   4.913
   33   3HB   ALA   3          2HB       ALA   3  -2.160   1.370   5.761
   34    H    VAL   4           H        VAL   4   0.976   2.243   7.242
   35    HA   VAL   4           HA       VAL   4   2.127   4.769   6.182
   36    HB   VAL   4           HB       VAL   4   2.899   3.493   8.824
   37   1HG1  VAL   4          2HG1      VAL   4   4.503   4.911   7.041
   38   2HG1  VAL   4          1HG1      VAL   4   3.974   6.136   8.196
   39   3HG1  VAL   4          3HG1      VAL   4   4.814   4.692   8.764
   40   1HG2  VAL   4          2HG2      VAL   4   0.864   5.337   8.194
   41   2HG2  VAL   4          1HG2      VAL   4   1.494   4.966   9.798
   42   3HG2  VAL   4          3HG2      VAL   4   2.176   6.301   8.870
   43    H    ILE   5           H        ILE   5   3.780   4.396   4.854
   44    HA   ILE   5           HA       ILE   5   4.862   1.640   4.653
   45    HB   ILE   5           HB       ILE   5   5.325   3.958   2.770
   46   1HG1  ILE   5          2HG1      ILE   5   2.822   3.238   3.355
   47   2HG1  ILE   5          1HG1      ILE   5   3.295   3.610   1.709
   48   1HG2  ILE   5          2HG2      ILE   5   5.966   1.097   2.828
   49   2HG2  ILE   5          1HG2      ILE   5   5.213   1.614   1.320
   50   3HG2  ILE   5          3HG2      ILE   5   6.690   2.397   1.881
   51   1HD1  ILE   5          3HD1      ILE   5   3.749   0.804   2.476
   52   2HD1  ILE   5          2HD1      ILE   5   2.056   1.296   2.490
   53   3HD1  ILE   5          1HD1      ILE   5   3.012   1.472   1.018
   54    H    ASN   6           H        ASN   6   6.807   1.279   5.599
   55    HA   ASN   6           HA       ASN   6   8.585   3.638   6.033
   56   1HB   ASN   6          2HB       ASN   6   8.956   1.103   7.571
   57   2HB   ASN   6          1HB       ASN   6   9.239   2.768   8.076
   58   1HD2  ASN   6          2HD2      ASN   6   6.230   2.657   9.870
   59   2HD2  ASN   6          1HD2      ASN   6   7.895   2.985   9.863
   60    H    GLY   7           H        GLY   7   9.936   3.547   4.254
   61   1HA   GLY   7          2HA       GLY   7  10.847   1.056   3.120
   62   2HA   GLY   7          1HA       GLY   7  11.494   2.659   2.739
   63    H    GLU   8           H        GLU   8  11.620   2.646   5.969
   64    HA   GLU   8           HA       GLU   8  14.455   1.885   5.966
   65   1HB   GLU   8          2HB       GLU   8  13.462   3.985   7.098
   66   2HB   GLU   8          1HB       GLU   8  12.901   2.878   8.351
   67   1HG   GLU   8          2HG       GLU   8  14.997   3.544   9.169
   68   2HG   GLU   8          1HG       GLU   8  15.369   2.022   8.357
   69    H    GLN   9           H        GLN   9  11.475   0.464   6.688
   70    HA   GLN   9           HA       GLN   9  12.811  -1.596   8.389
   71   1HB   GLN   9          2HB       GLN   9  10.867  -0.237   9.391
   72   2HB   GLN   9          1HB       GLN   9   9.834  -1.119   8.266
   73   1HG   GLN   9          2HG       GLN   9   9.822  -2.903   9.635
   74   2HG   GLN   9          1HG       GLN   9  11.583  -2.985   9.569
   75   1HE2  GLN   9          1HE2      GLN   9   9.162  -0.764  11.089
   76   2HE2  GLN   9          2HE2      GLN   9   9.939  -0.721  12.597
   77    H    ILE  10           H        ILE  10  11.098  -0.933   5.499
   78    HA   ILE  10           HA       ILE  10  10.336  -3.706   4.973
   79    HB   ILE  10           HB       ILE  10  10.466  -1.308   3.120
   80   1HG1  ILE  10          2HG1      ILE  10   8.876  -1.107   5.048
   81   2HG1  ILE  10          1HG1      ILE  10   8.058  -1.160   3.487
   82   1HG2  ILE  10          1HG2      ILE  10   9.464  -4.133   2.804
   83   2HG2  ILE  10          3HG2      ILE  10   8.758  -2.819   1.863
   84   3HG2  ILE  10          2HG2      ILE  10  10.475  -3.190   1.709
   85   1HD1  ILE  10          3HD1      ILE  10   8.026  -3.761   3.954
   86   2HD1  ILE  10          2HD1      ILE  10   8.194  -3.250   5.632
   87   3HD1  ILE  10          1HD1      ILE  10   6.809  -2.714   4.679
   88    H    ARG  11           H        ARG  11  12.010  -5.101   4.712
   89    HA   ARG  11           HA       ARG  11  14.582  -4.297   3.604
   90   1HB   ARG  11          2HB       ARG  11  13.875  -7.179   3.549
   91   2HB   ARG  11          1HB       ARG  11  15.303  -6.384   4.218
   92   1HG   ARG  11          2HG       ARG  11  13.738  -5.508   6.059
   93   2HG   ARG  11          1HG       ARG  11  12.584  -6.708   5.471
   94   1HD   ARG  11          2HD       ARG  11  15.409  -7.541   6.080
   95   2HD   ARG  11          1HD       ARG  11  14.254  -7.357   7.400
   96    HE   ARG  11           HE       ARG  11  12.997  -8.936   5.421
   97   1HH1  ARG  11          2HH1      ARG  11  16.038  -9.089   6.985
   98   2HH1  ARG  11          1HH1      ARG  11  15.910 -10.768   7.387
   99   1HH2  ARG  11          1HH2      ARG  11  12.679 -11.087   6.169
  100   2HH2  ARG  11          2HH2      ARG  11  14.008 -11.899   6.925
  101    H    SER  12           H        SER  12  11.786  -6.131   2.458
  102    HA   SER  12           HA       SER  12  12.614  -5.495  -0.330
  103   1HB   SER  12          2HB       SER  12  13.469  -7.764   0.138
  104   2HB   SER  12          1HB       SER  12  11.856  -8.272   0.632
  105    HG   SER  12           HG       SER  12  12.745  -8.490  -1.718
  106    H    ILE  13           H        ILE  13  10.806  -5.809  -1.869
  107    HA   ILE  13           HA       ILE  13   8.435  -4.559  -1.213
  108    HB   ILE  13           HB       ILE  13   9.101  -5.175  -3.505
  109   1HG1  ILE  13          2HG1      ILE  13   6.636  -4.749  -2.751
  110   2HG1  ILE  13          1HG1      ILE  13   6.925  -5.418  -4.352
  111   1HG2  ILE  13          2HG2      ILE  13   8.475  -7.946  -2.500
  112   2HG2  ILE  13          1HG2      ILE  13   8.504  -7.559  -4.221
  113   3HG2  ILE  13          3HG2      ILE  13   9.962  -7.364  -3.249
  114   1HD1  ILE  13          1HD1      ILE  13   6.678  -7.732  -3.179
  115   2HD1  ILE  13          3HD1      ILE  13   5.922  -6.808  -1.887
  116   3HD1  ILE  13          2HD1      ILE  13   5.231  -6.791  -3.503
  117    H    SER  14           H        SER  14   9.268  -7.941  -0.659
  118    HA   SER  14           HA       SER  14   6.763  -9.036  -0.058
  119   1HB   SER  14          2HB       SER  14   8.244 -10.248   1.829
  120   2HB   SER  14          1HB       SER  14   8.395 -10.642   0.119
  121    HG   SER  14           HG       SER  14  10.404 -10.147   1.234
  122    H    ASP  15           H        ASP  15   8.948  -7.387   2.271
  123    HA   ASP  15           HA       ASP  15   7.084  -7.460   4.430
  124   1HB   ASP  15          2HB       ASP  15   9.678  -6.245   3.844
  125   2HB   ASP  15          1HB       ASP  15   8.677  -5.241   4.884
  126    H    LEU  16           H        LEU  16   7.319  -5.465   1.656
  127    HA   LEU  16           HA       LEU  16   5.963  -3.121   2.601
  128   1HB   LEU  16          2HB       LEU  16   7.200  -3.303   0.425
  129   2HB   LEU  16          1HB       LEU  16   5.899  -4.320  -0.184
  130    HG   LEU  16           HG       LEU  16   4.580  -2.530  -0.615
  131   1HD1  LEU  16          3HD1      LEU  16   5.437  -1.440   2.082
  132   2HD1  LEU  16          2HD1      LEU  16   4.336  -0.590   1.000
  133   3HD1  LEU  16          1HD1      LEU  16   3.883  -2.158   1.662
  134   1HD2  LEU  16          3HD2      LEU  16   7.066  -1.817  -1.114
  135   2HD2  LEU  16          2HD2      LEU  16   5.758  -0.643  -1.261
  136   3HD2  LEU  16          1HD2      LEU  16   6.772  -0.661   0.184
  137    H    HIS  17           H        HIS  17   4.732  -5.830   0.647
  138    HA   HIS  17           HA       HIS  17   1.988  -5.145   0.953
  139   1HB   HIS  17          2HB       HIS  17   3.294  -7.819   0.393
  140   2HB   HIS  17          1HB       HIS  17   1.563  -7.495   0.219
  141    HD1  HIS  17           HD1      HIS  17   1.005  -7.023  -2.162
  142    HD2  HIS  17           HD2      HIS  17   4.752  -5.508  -1.160
  143    HE1  HIS  17           HE1      HIS  17   1.900  -5.875  -4.238
  144    H    GLN  18           H        GLN  18   4.211  -6.536   3.127
  145    HA   GLN  18           HA       GLN  18   2.191  -7.837   4.802
  146   1HB   GLN  18          2HB       GLN  18   5.116  -7.187   5.261
  147   2HB   GLN  18          1HB       GLN  18   4.107  -8.026   6.440
  148   1HG   GLN  18          2HG       GLN  18   3.574  -9.702   4.585
  149   2HG   GLN  18          1HG       GLN  18   4.886  -8.958   3.671
  150   1HE2  GLN  18          2HE2      GLN  18   7.263 -10.938   5.329
  151   2HE2  GLN  18          1HE2      GLN  18   6.756 -10.184   3.895
  152    H    THR  19           H        THR  19   3.854  -4.821   4.548
  153    HA   THR  19           HA       THR  19   2.978  -3.742   7.090
  154    HB   THR  19           HB       THR  19   4.282  -2.620   4.624
  155    HG1  THR  19           HG1      THR  19   4.890  -2.792   7.381
  156   1HG2  THR  19          3HG2      THR  19   2.583  -1.137   6.489
  157   2HG2  THR  19          2HG2      THR  19   4.229  -0.510   6.423
  158   3HG2  THR  19          1HG2      THR  19   3.272  -0.627   4.947
  159    H    LEU  20           H        LEU  20   1.753  -3.810   3.832
  160    HA   LEU  20           HA       LEU  20  -0.445  -1.932   4.431
  161   1HB   LEU  20          2HB       LEU  20  -0.573  -3.819   2.104
  162   2HB   LEU  20          1HB       LEU  20  -1.088  -2.133   2.202
  163    HG   LEU  20           HG       LEU  20   1.797  -3.001   2.281
  164   1HD1  LEU  20          2HD1      LEU  20   0.018  -2.218  -0.015
  165   2HD1  LEU  20          1HD1      LEU  20   1.764  -1.983  -0.085
  166   3HD1  LEU  20          3HD1      LEU  20   1.101  -3.605   0.110
  167   1HD2  LEU  20          2HD2      LEU  20   1.034  -0.762   3.274
  168   2HD2  LEU  20          1HD2      LEU  20   2.289  -0.682   2.037
  169   3HD2  LEU  20          3HD2      LEU  20   0.618  -0.301   1.622
  170    H    LYS  21           H        LYS  21   0.200  -5.342   4.278
  171    HA   LYS  21           HA       LYS  21  -2.561  -6.190   4.652
  172   1HB   LYS  21          2HB       LYS  21  -1.045  -7.771   3.666
  173   2HB   LYS  21          1HB       LYS  21   0.102  -7.590   4.998
  174   1HG   LYS  21          2HG       LYS  21  -1.040  -9.035   6.322
  175   2HG   LYS  21          1HG       LYS  21  -2.600  -8.347   5.868
  176   1HD   LYS  21          2HD       LYS  21  -2.942  -9.891   4.239
  177   2HD   LYS  21          1HD       LYS  21  -1.266  -9.819   3.694
  178   1HE   LYS  21          2HE       LYS  21  -1.290 -10.988   6.299
  179   2HE   LYS  21          1HE       LYS  21  -2.504 -11.814   5.322
  180   1HZ   LYS  21          3HZ       LYS  21  -0.584 -11.733   3.559
  181   2HZ   LYS  21          2HZ       LYS  21   0.393 -11.649   4.946
  182   3HZ   LYS  21          1HZ       LYS  21  -0.656 -12.966   4.721
  183    H    LYS  22           H        LYS  22   0.013  -5.090   6.699
  184    HA   LYS  22           HA       LYS  22  -1.252  -6.165   9.136
  185   1HB   LYS  22          2HB       LYS  22   0.716  -5.635  10.236
  186   2HB   LYS  22          1HB       LYS  22   1.335  -5.808   8.596
  187   1HG   LYS  22          2HG       LYS  22   1.253  -3.403   8.256
  188   2HG   LYS  22          1HG       LYS  22   0.480  -3.170   9.823
  189   1HD   LYS  22          2HD       LYS  22   2.776  -4.672  10.384
  190   2HD   LYS  22          1HD       LYS  22   3.302  -3.477   9.198
  191   1HE   LYS  22          2HE       LYS  22   2.531  -1.660  10.554
  192   2HE   LYS  22          1HE       LYS  22   1.663  -2.750  11.635
  193   1HZ   LYS  22          1HZ       LYS  22   4.277  -3.632  11.598
  194   2HZ   LYS  22          3HZ       LYS  22   4.379  -1.942  11.716
  195   3HZ   LYS  22          2HZ       LYS  22   3.487  -2.820  12.865
  196    H    GLU  23           H        GLU  23  -0.842  -3.059   7.475
  197    HA   GLU  23           HA       GLU  23  -2.149  -1.573   9.623
  198   1HB   GLU  23          2HB       GLU  23  -1.652  -0.661   6.785
  199   2HB   GLU  23          1HB       GLU  23  -1.902   0.354   8.206
  200   1HG   GLU  23          2HG       GLU  23   0.305  -1.576   8.489
  201   2HG   GLU  23          1HG       GLU  23   0.561  -0.371   7.227
  202    H    LEU  24           H        LEU  24  -2.977  -2.359   6.295
  203    HA   LEU  24           HA       LEU  24  -5.716  -1.504   6.500
  204   1HB   LEU  24          2HB       LEU  24  -4.650  -3.567   4.559
  205   2HB   LEU  24          1HB       LEU  24  -5.997  -2.452   4.325
  206    HG   LEU  24           HG       LEU  24  -3.204  -1.426   4.826
  207   1HD1  LEU  24          2HD1      LEU  24  -4.391  -2.536   2.312
  208   2HD1  LEU  24          1HD1      LEU  24  -3.321  -1.138   2.208
  209   3HD1  LEU  24          3HD1      LEU  24  -2.738  -2.646   2.915
  210   1HD2  LEU  24          1HD2      LEU  24  -5.726  -0.251   4.582
  211   2HD2  LEU  24          3HD2      LEU  24  -4.172   0.577   4.508
  212   3HD2  LEU  24          2HD2      LEU  24  -4.953   0.034   3.022
  213    H    ALA  25           H        ALA  25  -4.008  -4.458   7.241
  214    HA   ALA  25           HA       ALA  25  -4.766  -6.315   8.478
  215   1HB   ALA  25          3HB       ALA  25  -6.577  -4.320   9.139
  216   2HB   ALA  25          2HB       ALA  25  -7.608  -5.613   8.525
  217   3HB   ALA  25          1HB       ALA  25  -6.509  -5.925   9.869
  218    H    LEU  26           H        LEU  26  -4.472  -6.589   5.796
  219    HA   LEU  26           HA       LEU  26  -6.882  -7.495   4.464
  220   1HB   LEU  26          2HB       LEU  26  -4.026  -8.224   3.744
  221   2HB   LEU  26          1HB       LEU  26  -5.421  -8.146   2.672
  222    HG   LEU  26           HG       LEU  26  -4.312  -5.753   4.154
  223   1HD1  LEU  26          2HD1      LEU  26  -3.121  -7.032   2.025
  224   2HD1  LEU  26          1HD1      LEU  26  -4.131  -5.830   1.223
  225   3HD1  LEU  26          3HD1      LEU  26  -2.930  -5.322   2.412
  226   1HD2  LEU  26          1HD2      LEU  26  -6.819  -6.188   3.055
  227   2HD2  LEU  26          3HD2      LEU  26  -6.088  -4.606   3.328
  228   3HD2  LEU  26          2HD2      LEU  26  -5.952  -5.380   1.749
  229    HA   PRO  27           HA       PRO  27  -7.122 -11.617   5.895
  230   1HB   PRO  27          2HB       PRO  27  -7.766 -12.992   3.603
  231   2HB   PRO  27          1HB       PRO  27  -8.900 -11.944   4.478
  232   1HG   PRO  27          2HG       PRO  27  -7.432 -11.414   1.931
  233   2HG   PRO  27          1HG       PRO  27  -9.003 -10.793   2.470
  234   1HD   PRO  27          2HD       PRO  27  -6.581  -9.382   2.520
  235   2HD   PRO  27          1HD       PRO  27  -8.042  -8.939   3.431
  236    H    GLU  28           H        GLU  28  -6.459 -14.031   5.020
  237    HA   GLU  28           HA       GLU  28  -3.540 -13.977   4.941
  238   1HB   GLU  28          2HB       GLU  28  -4.667 -15.657   6.299
  239   2HB   GLU  28          1HB       GLU  28  -5.529 -16.264   4.881
  240   1HG   GLU  28          2HG       GLU  28  -3.741 -17.460   4.167
  241   2HG   GLU  28          1HG       GLU  28  -2.615 -16.151   4.522
  242    H    TYR  29           H        TYR  29  -6.143 -14.961   2.711
  243    HA   TYR  29           HA       TYR  29  -4.313 -15.957   0.713
  244   1HB   TYR  29          2HB       TYR  29  -6.347 -15.754  -0.806
  245   2HB   TYR  29          1HB       TYR  29  -6.542 -16.781   0.616
  246    HD1  TYR  29           HD2      TYR  29  -6.913 -13.170  -0.361
  247    HD2  TYR  29           HD1      TYR  29  -8.432 -16.479   1.923
  248    HE1  TYR  29           HE2      TYR  29  -8.847 -11.790   0.362
  249    HE2  TYR  29           HE1      TYR  29 -10.360 -15.097   2.647
  250    HH   TYR  29           HH       TYR  29 -11.598 -13.111   1.850
  251    H    TYR  30           H        TYR  30  -4.759 -12.851   1.767
  252    HA   TYR  30           HA       TYR  30  -5.059 -11.076  -0.270
  253   1HB   TYR  30          2HB       TYR  30  -4.270 -10.411   1.958
  254   2HB   TYR  30          1HB       TYR  30  -2.700 -11.141   1.636
  255    HD1  TYR  30           HD2      TYR  30  -4.731  -9.277  -0.845
  256    HD2  TYR  30           HD1      TYR  30  -1.341  -9.178   1.790
  257    HE1  TYR  30           HE2      TYR  30  -3.972  -7.163  -1.898
  258    HE2  TYR  30           HE1      TYR  30  -0.581  -7.069   0.737
  259    HH   TYR  30           HH       TYR  30  -0.951  -5.574  -0.854
  260    H    GLY  31           H        GLY  31  -4.403 -11.145  -2.360
  261   1HA   GLY  31          2HA       GLY  31  -2.231 -12.838  -3.241
  262   2HA   GLY  31          1HA       GLY  31  -3.132 -11.710  -4.256
  263    H    GLU  32           H        GLU  32  -2.085  -9.921  -1.678
  264    HA   GLU  32           HA       GLU  32  -0.484  -8.189  -1.624
  265   1HB   GLU  32          2HB       GLU  32   1.340 -10.426  -2.553
  266   2HB   GLU  32          1HB       GLU  32   1.804  -8.987  -1.644
  267   1HG   GLU  32          2HG       GLU  32   1.392 -10.088   0.272
  268   2HG   GLU  32          1HG       GLU  32  -0.300 -10.244  -0.201
  269    H    ASN  33           H        ASN  33  -1.926  -8.037  -3.947
  270    HA   ASN  33           HA       ASN  33   0.148  -7.107  -5.857
  271   1HB   ASN  33          2HB       ASN  33  -1.561  -8.070  -7.665
  272   2HB   ASN  33          1HB       ASN  33  -0.283  -9.079  -6.991
  273   1HD2  ASN  33          2HD2      ASN  33  -2.950 -11.341  -6.298
  274   2HD2  ASN  33          1HD2      ASN  33  -1.646 -11.015  -7.334
  275    H    LEU  34           H        LEU  34  -1.521  -6.235  -7.874
  276    HA   LEU  34           HA       LEU  34  -2.786  -3.926  -6.597
  277   1HB   LEU  34          2HB       LEU  34  -3.287  -4.410  -9.474
  278   2HB   LEU  34          1HB       LEU  34  -2.718  -2.952  -8.660
  279    HG   LEU  34           HG       LEU  34  -0.575  -4.561  -8.278
  280   1HD1  LEU  34          2HD1      LEU  34  -1.893  -6.284  -9.734
  281   2HD1  LEU  34          1HD1      LEU  34  -1.426  -5.249 -11.085
  282   3HD1  LEU  34          3HD1      LEU  34  -0.187  -6.011 -10.088
  283   1HD2  LEU  34          2HD2      LEU  34  -1.280  -2.835 -10.656
  284   2HD2  LEU  34          1HD2      LEU  34  -0.439  -2.339  -9.187
  285   3HD2  LEU  34          3HD2      LEU  34   0.352  -3.420 -10.335
  286    H    ASP  35           H        ASP  35  -3.810  -6.909  -8.119
  287    HA   ASP  35           HA       ASP  35  -6.589  -6.193  -8.348
  288   1HB   ASP  35          2HB       ASP  35  -6.801  -8.778  -8.361
  289   2HB   ASP  35          1HB       ASP  35  -5.991  -7.995  -9.709
  290    H    ALA  36           H        ALA  36  -4.789  -8.142  -5.928
  291    HA   ALA  36           HA       ALA  36  -7.142  -8.513  -4.279
  292   1HB   ALA  36          1HB       ALA  36  -4.841  -9.854  -4.383
  293   2HB   ALA  36          3HB       ALA  36  -4.410  -8.721  -3.101
  294   3HB   ALA  36          2HB       ALA  36  -5.798  -9.793  -2.901
  295    H    LEU  37           H        LEU  37  -4.352  -6.379  -4.133
  296    HA   LEU  37           HA       LEU  37  -5.031  -5.065  -1.681
  297   1HB   LEU  37          2HB       LEU  37  -2.829  -4.825  -2.768
  298   2HB   LEU  37          1HB       LEU  37  -3.592  -3.957  -4.097
  299    HG   LEU  37           HG       LEU  37  -4.487  -2.674  -1.762
  300   1HD1  LEU  37          3HD1      LEU  37  -1.570  -3.454  -1.651
  301   2HD1  LEU  37          2HD1      LEU  37  -2.164  -1.992  -0.862
  302   3HD1  LEU  37          1HD1      LEU  37  -2.784  -3.571  -0.376
  303   1HD2  LEU  37          1HD2      LEU  37  -2.801  -2.116  -4.124
  304   2HD2  LEU  37          3HD2      LEU  37  -4.134  -1.182  -3.447
  305   3HD2  LEU  37          2HD2      LEU  37  -2.522  -1.045  -2.752
  306    H    TRP  38           H        TRP  38  -5.599  -4.092  -5.055
  307    HA   TRP  38           HA       TRP  38  -7.215  -1.827  -4.510
  308   1HB   TRP  38          2HB       TRP  38  -6.368  -2.284  -6.751
  309   2HB   TRP  38          1HB       TRP  38  -7.234  -3.808  -6.793
  310    HD1  TRP  38           HD1      TRP  38  -9.217  -3.714  -8.226
  311    HE1  TRP  38           HE1      TRP  38 -11.014  -1.982  -8.874
  312    HE3  TRP  38           HE3      TRP  38  -7.607   0.299  -5.501
  313    HZ2  TRP  38           HZ2      TRP  38 -11.662   0.744  -8.331
  314    HZ3  TRP  38           HZ3      TRP  38  -8.813   2.454  -5.615
  315    HH2  TRP  38           HH2      TRP  38 -10.844   2.680  -7.014
  316    H    ASP  39           H        ASP  39  -7.973  -5.218  -4.898
  317    HA   ASP  39           HA       ASP  39 -10.792  -5.047  -4.624
  318   1HB   ASP  39          2HB       ASP  39  -8.750  -7.143  -4.418
  319   2HB   ASP  39          1HB       ASP  39 -10.133  -7.414  -3.355
  320    H    ALA  40           H        ALA  40  -8.200  -4.942  -2.289
  321    HA   ALA  40           HA       ALA  40 -10.026  -5.132   0.005
  322   1HB   ALA  40          2HB       ALA  40  -7.480  -5.795  -0.125
  323   2HB   ALA  40          1HB       ALA  40  -7.220  -4.087   0.228
  324   3HB   ALA  40          3HB       ALA  40  -8.131  -5.092   1.356
  325    H    LEU  41           H        LEU  41  -7.664  -2.595  -0.807
  326    HA   LEU  41           HA       LEU  41  -8.547  -0.483   0.630
  327   1HB   LEU  41          2HB       LEU  41  -7.506  -0.625  -2.160
  328   2HB   LEU  41          1HB       LEU  41  -8.108   0.924  -1.574
  329    HG   LEU  41           HG       LEU  41  -6.294  -0.571   0.251
  330   1HD1  LEU  41          3HD1      LEU  41  -5.232  -0.833  -2.001
  331   2HD1  LEU  41          2HD1      LEU  41  -5.261   0.923  -2.187
  332   3HD1  LEU  41          1HD1      LEU  41  -4.282   0.184  -0.913
  333   1HD2  LEU  41          2HD2      LEU  41  -6.578   2.325  -0.592
  334   2HD2  LEU  41          1HD2      LEU  41  -7.185   1.605   0.898
  335   3HD2  LEU  41          3HD2      LEU  41  -5.445   1.742   0.631
  336    H    THR  42           H        THR  42  -9.845  -1.023  -2.620
  337    HA   THR  42           HA       THR  42 -12.182   0.632  -1.948
  338    HB   THR  42           HB       THR  42 -11.143   0.757  -4.205
  339    HG1  THR  42           HG1      THR  42 -13.157   0.481  -5.332
  340   1HG2  THR  42          2HG2      THR  42 -11.533  -2.131  -4.018
  341   2HG2  THR  42          1HG2      THR  42 -12.171  -1.460  -5.519
  342   3HG2  THR  42          3HG2      THR  42 -10.478  -1.207  -5.090
  343    H    GLY  43           H        GLY  43 -12.252  -1.436  -0.214
  344   1HA   GLY  43          2HA       GLY  43 -14.713  -2.530  -0.199
  345   2HA   GLY  43          1HA       GLY  43 -13.907  -3.602  -1.346
  346    H    TRP  44           H        TRP  44 -12.354  -2.138   1.513
  347    HA   TRP  44           HA       TRP  44 -12.667  -4.453   3.207
  348   1HB   TRP  44          2HB       TRP  44 -11.197  -5.520   1.552
  349   2HB   TRP  44          1HB       TRP  44 -10.042  -4.199   1.714
  350    HD1  TRP  44           HD1      TRP  44  -9.167  -3.814   4.381
  351    HE1  TRP  44           HE1      TRP  44  -8.448  -5.643   6.053
  352    HE3  TRP  44           HE3      TRP  44 -11.388  -7.888   2.249
  353    HZ2  TRP  44           HZ2      TRP  44  -8.772  -8.465   6.432
  354    HZ3  TRP  44           HZ3      TRP  44 -11.167 -10.130   3.281
  355    HH2  TRP  44           HH2      TRP  44  -9.861 -10.424   5.368
  356    H    VAL  45           H        VAL  45 -10.441  -1.887   2.249
  357    HA   VAL  45           HA       VAL  45  -9.447  -1.391   4.910
  358    HB   VAL  45           HB       VAL  45  -9.288  -0.107   2.223
  359   1HG1  VAL  45          2HG1      VAL  45  -8.503   1.284   4.790
  360   2HG1  VAL  45          1HG1      VAL  45  -8.038   1.807   3.170
  361   3HG1  VAL  45          3HG1      VAL  45  -9.737   1.810   3.642
  362   1HG2  VAL  45          2HG2      VAL  45  -7.364  -1.106   4.322
  363   2HG2  VAL  45          1HG2      VAL  45  -7.626  -1.737   2.696
  364   3HG2  VAL  45          3HG2      VAL  45  -6.821  -0.183   2.920
  365    H    GLU  46           H        GLU  46  -9.795   0.742   6.023
  366    HA   GLU  46           HA       GLU  46 -12.657   1.578   5.803
  367   1HB   GLU  46          2HB       GLU  46 -11.388   0.590   8.006
  368   2HB   GLU  46          1HB       GLU  46 -11.114   2.319   8.222
  369   1HG   GLU  46          2HG       GLU  46 -13.452   2.795   8.186
  370   2HG   GLU  46          1HG       GLU  46 -13.843   1.181   7.590
  371    H    TYR  47           H        TYR  47 -12.941   3.597   4.980
  372    HA   TYR  47           HA       TYR  47 -10.610   5.447   5.023
  373   1HB   TYR  47          2HB       TYR  47 -13.071   5.448   3.252
  374   2HB   TYR  47          1HB       TYR  47 -11.696   6.546   3.101
  375    HD1  TYR  47           HD2      TYR  47  -9.324   5.041   3.382
  376    HD2  TYR  47           HD1      TYR  47 -13.040   3.789   1.609
  377    HE1  TYR  47           HE2      TYR  47  -8.122   3.330   2.051
  378    HE2  TYR  47           HE1      TYR  47 -11.821   2.084   0.280
  379    HH   TYR  47           HH       TYR  47  -9.393   1.833  -0.581
  380    HA   PRO  48           HA       PRO  48 -10.812   7.773   4.076
  381   1HB   PRO  48          2HB       PRO  48  -9.653   9.821   5.503
  382   2HB   PRO  48          1HB       PRO  48 -11.111  10.003   4.508
  383   1HG   PRO  48          2HG       PRO  48 -10.873   9.814   7.485
  384   2HG   PRO  48          1HG       PRO  48 -12.074  10.676   6.506
  385   1HD   PRO  48          2HD       PRO  48 -12.520   8.221   7.770
  386   2HD   PRO  48          1HD       PRO  48 -13.472   8.847   6.404
  387    H    LEU  49           H        LEU  49  -8.714   7.099   3.835
  388    HA   LEU  49           HA       LEU  49  -7.407   5.939   6.252
  389   1HB   LEU  49          2HB       LEU  49  -7.752   4.188   4.734
  390   2HB   LEU  49          1HB       LEU  49  -7.449   5.217   3.334
  391    HG   LEU  49           HG       LEU  49  -5.015   5.374   4.223
  392   1HD1  LEU  49          1HD1      LEU  49  -5.652   4.367   6.460
  393   2HD1  LEU  49          3HD1      LEU  49  -5.881   2.833   5.624
  394   3HD1  LEU  49          2HD1      LEU  49  -4.288   3.585   5.665
  395   1HD2  LEU  49          2HD2      LEU  49  -6.418   3.272   2.748
  396   2HD2  LEU  49          1HD2      LEU  49  -4.918   4.114   2.352
  397   3HD2  LEU  49          3HD2      LEU  49  -4.893   2.727   3.443
  398    H    VAL  50           H        VAL  50  -5.063   6.136   6.398
  399    HA   VAL  50           HA       VAL  50  -4.015   8.559   4.979
  400    HB   VAL  50           HB       VAL  50  -3.816   7.645   7.823
  401   1HG1  VAL  50          3HG1      VAL  50  -1.550   8.762   6.219
  402   2HG1  VAL  50          2HG1      VAL  50  -1.785   9.379   7.855
  403   3HG1  VAL  50          1HG1      VAL  50  -1.512   7.656   7.593
  404   1HG2  VAL  50          2HG2      VAL  50  -5.158   9.630   6.745
  405   2HG2  VAL  50          1HG2      VAL  50  -4.324   9.875   8.280
  406   3HG2  VAL  50          3HG2      VAL  50  -3.596  10.449   6.780
  407    H    LEU  51           H        LEU  51  -2.944   7.483   3.275
  408    HA   LEU  51           HA       LEU  51  -1.237   5.154   3.871
  409   1HB   LEU  51          2HB       LEU  51  -2.493   5.253   1.747
  410   2HB   LEU  51          1HB       LEU  51  -1.642   6.744   1.319
  411    HG   LEU  51           HG       LEU  51   0.512   5.267   1.701
  412   1HD1  LEU  51          2HD1      LEU  51  -1.387   3.337   2.222
  413   2HD1  LEU  51          1HD1      LEU  51  -1.008   3.051   0.517
  414   3HD1  LEU  51          3HD1      LEU  51   0.276   3.011   1.730
  415   1HD2  LEU  51          3HD2      LEU  51  -0.759   6.234  -0.445
  416   2HD2  LEU  51          2HD2      LEU  51   0.662   5.203  -0.580
  417   3HD2  LEU  51          1HD2      LEU  51  -0.953   4.508  -0.762
  418    H    GLU  52           H        GLU  52  -0.113   6.863   5.448
  419    HA   GLU  52           HA       GLU  52   1.609   8.860   4.373
  420   1HB   GLU  52          2HB       GLU  52   1.131   8.764   6.754
  421   2HB   GLU  52          1HB       GLU  52   1.885   7.173   6.874
  422   1HG   GLU  52          2HG       GLU  52   4.040   8.193   6.106
  423   2HG   GLU  52          1HG       GLU  52   3.265   9.777   6.156
  424    H    TRP  53           H        TRP  53   2.604   7.848   2.451
  425    HA   TRP  53           HA       TRP  53   4.312   5.513   2.839
  426   1HB   TRP  53          2HB       TRP  53   3.137   6.380   0.627
  427   2HB   TRP  53          1HB       TRP  53   4.635   7.301   0.460
  428    HD1  TRP  53           HD1      TRP  53   6.923   5.619   1.059
  429    HE1  TRP  53           HE1      TRP  53   7.394   3.297   0.045
  430    HE3  TRP  53           HE3      TRP  53   2.233   4.373  -0.513
  431    HZ2  TRP  53           HZ2      TRP  53   5.960   1.194  -1.255
  432    HZ3  TRP  53           HZ3      TRP  53   1.801   2.211  -1.619
  433    HH2  TRP  53           HH2      TRP  53   3.664   0.611  -1.999
  434    H    ARG  54           H        ARG  54   5.896   6.069   4.380
  435    HA   ARG  54           HA       ARG  54   7.303   8.493   4.577
  436   1HB   ARG  54          2HB       ARG  54   8.297   5.679   5.119
  437   2HB   ARG  54          1HB       ARG  54   9.108   7.150   5.658
  438   1HG   ARG  54          2HG       ARG  54   6.497   7.543   6.489
  439   2HG   ARG  54          1HG       ARG  54   6.742   5.818   6.758
  440   1HD   ARG  54          2HD       ARG  54   7.403   7.347   8.694
  441   2HD   ARG  54          1HD       ARG  54   8.638   6.208   8.159
  442    HE   ARG  54           HE       ARG  54   8.710   8.930   6.990
  443   1HH1  ARG  54          2HH1      ARG  54  10.643   6.378   7.634
  444   2HH1  ARG  54          1HH1      ARG  54  11.851   7.237   8.532
  445   1HH2  ARG  54          1HH2      ARG  54   9.965  10.134   8.809
  446   2HH2  ARG  54          2HH2      ARG  54  11.466   9.363   9.196
  447    H    GLN  55           H        GLN  55   9.350   5.822   3.602
  448    HA   GLN  55           HA       GLN  55  10.457   7.545   1.460
  449   1HB   GLN  55          2HB       GLN  55  11.449   4.941   2.663
  450   2HB   GLN  55          1HB       GLN  55  12.296   5.862   1.420
  451   1HG   GLN  55          2HG       GLN  55  11.461   7.325   3.884
  452   2HG   GLN  55          1HG       GLN  55  12.821   6.208   4.020
  453   1HE2  GLN  55          2HE2      GLN  55  14.094   9.585   2.941
  454   2HE2  GLN  55          1HE2      GLN  55  13.178   9.050   4.266
  455    H    PHE  56           H        PHE  56   9.260   7.311  -0.398
  456    HA   PHE  56           HA       PHE  56   8.251   4.638  -1.156
  457   1HB   PHE  56          2HB       PHE  56   6.764   6.567  -1.470
  458   2HB   PHE  56          1HB       PHE  56   7.964   7.339  -2.508
  459    HD1  PHE  56           HD2      PHE  56   8.423   6.493  -4.760
  460    HD2  PHE  56           HD1      PHE  56   5.498   4.619  -2.236
  461    HE1  PHE  56           HE2      PHE  56   7.539   5.251  -6.707
  462    HE2  PHE  56           HE1      PHE  56   4.615   3.374  -4.180
  463    HZ   PHE  56           HZ       PHE  56   5.633   3.689  -6.422
  464    H    GLU  57           H        GLU  57  10.797   6.884  -2.008
  465    HA   GLU  57           HA       GLU  57  11.509   6.070  -4.580
  466   1HB   GLU  57          2HB       GLU  57  12.717   7.558  -2.556
  467   2HB   GLU  57          1HB       GLU  57  13.848   6.234  -2.836
  468   1HG   GLU  57          2HG       GLU  57  12.660   7.747  -5.154
  469   2HG   GLU  57          1HG       GLU  57  14.072   8.373  -4.301
  470    H    GLN  58           H        GLN  58  13.193   4.725  -1.720
  471    HA   GLN  58           HA       GLN  58  14.079   2.395  -3.134
  472   1HB   GLN  58          2HB       GLN  58  14.441   1.488  -0.762
  473   2HB   GLN  58          1HB       GLN  58  15.293   2.977  -1.172
  474   1HG   GLN  58          2HG       GLN  58  14.195   4.130   0.422
  475   2HG   GLN  58          1HG       GLN  58  12.633   3.548  -0.156
  476   1HE2  GLN  58          2HE2      GLN  58  12.594   0.724   2.091
  477   2HE2  GLN  58          1HE2      GLN  58  12.082   1.215   0.550
  478    H    SER  59           H        SER  59  13.437   0.115  -2.255
  479    HA   SER  59           HA       SER  59  11.768  -1.487  -1.736
  480   1HB   SER  59          2HB       SER  59  10.680   0.797  -0.597
  481   2HB   SER  59          1HB       SER  59   9.451   0.302  -1.761
  482    HG   SER  59           HG       SER  59   9.237  -1.600  -0.738
  483    H    LYS  60           H        LYS  60  10.887   1.168  -3.922
  484    HA   LYS  60           HA       LYS  60   9.286  -0.580  -5.633
  485   1HB   LYS  60          2HB       LYS  60   8.867   1.886  -5.235
  486   2HB   LYS  60          1HB       LYS  60  10.297   2.203  -6.222
  487   1HG   LYS  60          2HG       LYS  60   9.126   0.644  -7.966
  488   2HG   LYS  60          1HG       LYS  60   7.664   1.003  -7.045
  489   1HD   LYS  60          2HD       LYS  60   7.551   3.121  -7.837
  490   2HD   LYS  60          1HD       LYS  60   9.282   3.385  -7.615
  491   1HE   LYS  60          2HE       LYS  60   8.764   1.473  -9.748
  492   2HE   LYS  60          1HE       LYS  60   7.964   3.015 -10.055
  493   1HZ   LYS  60          3HZ       LYS  60  10.832   2.671  -9.361
  494   2HZ   LYS  60          2HZ       LYS  60  10.226   2.989 -10.916
  495   3HZ   LYS  60          1HZ       LYS  60  10.059   4.146  -9.683
  496    H    GLN  61           H        GLN  61  12.623   0.439  -5.471
  497    HA   GLN  61           HA       GLN  61  13.174  -0.106  -8.287
  498   1HB   GLN  61          2HB       GLN  61  14.510   1.199  -6.181
  499   2HB   GLN  61          1HB       GLN  61  15.530  -0.168  -6.630
  500   1HG   GLN  61          2HG       GLN  61  14.844   0.726  -9.094
  501   2HG   GLN  61          1HG       GLN  61  14.806   2.245  -8.197
  502   1HE2  GLN  61          2HE2      GLN  61  18.383   0.277  -8.650
  503   2HE2  GLN  61          1HE2      GLN  61  16.929  -0.565  -8.899
  504    H    LEU  62           H        LEU  62  14.583  -1.535  -5.421
  505    HA   LEU  62           HA       LEU  62  15.772  -3.784  -6.302
  506   1HB   LEU  62          2HB       LEU  62  14.098  -4.718  -4.161
  507   2HB   LEU  62          1HB       LEU  62  15.819  -4.342  -4.128
  508    HG   LEU  62           HG       LEU  62  15.244  -1.934  -3.784
  509   1HD1  LEU  62          3HD1      LEU  62  12.774  -2.613  -4.719
  510   2HD1  LEU  62          2HD1      LEU  62  12.478  -2.622  -2.987
  511   3HD1  LEU  62          1HD1      LEU  62  13.090  -1.164  -3.770
  512   1HD2  LEU  62          1HD2      LEU  62  14.335  -4.062  -1.863
  513   2HD2  LEU  62          3HD2      LEU  62  15.753  -3.016  -1.772
  514   3HD2  LEU  62          2HD2      LEU  62  14.149  -2.357  -1.451
  515    H    THR  63           H        THR  63  12.316  -3.328  -6.308
  516    HA   THR  63           HA       THR  63  11.951  -6.067  -7.402
  517    HB   THR  63           HB       THR  63  10.499  -5.337  -5.501
  518    HG1  THR  63           HG1      THR  63   8.935  -6.451  -6.338
  519   1HG2  THR  63          2HG2      THR  63  10.001  -3.117  -7.396
  520   2HG2  THR  63          1HG2      THR  63   8.594  -3.722  -6.522
  521   3HG2  THR  63          3HG2      THR  63   9.991  -3.119  -5.634
  522    H    GLU  64           H        GLU  64   9.340  -4.647  -8.585
  523    HA   GLU  64           HA       GLU  64  10.676  -3.353 -10.905
  524   1HB   GLU  64          2HB       GLU  64   9.115  -4.657 -12.413
  525   2HB   GLU  64          1HB       GLU  64  10.369  -5.630 -11.643
  526   1HG   GLU  64          2HG       GLU  64   8.512  -5.897  -9.757
  527   2HG   GLU  64          1HG       GLU  64   7.428  -5.564 -11.108
  528    H    ASN  65           H        ASN  65   7.560  -4.195  -9.387
  529    HA   ASN  65           HA       ASN  65   6.688  -1.402  -9.633
  530   1HB   ASN  65          2HB       ASN  65   5.956  -3.344 -11.614
  531   2HB   ASN  65          1HB       ASN  65   4.518  -2.918 -10.685
  532   1HD2  ASN  65          2HD2      ASN  65   4.275  -0.128 -12.869
  533   2HD2  ASN  65          1HD2      ASN  65   3.596  -1.616 -12.417
  534    H    GLY  66           H        GLY  66   7.115  -3.714  -7.646
  535   1HA   GLY  66          2HA       GLY  66   4.589  -4.499  -6.582
  536   2HA   GLY  66          1HA       GLY  66   6.095  -4.427  -5.660
  537    H    ALA  67           H        ALA  67   6.785  -2.110  -5.065
  538    HA   ALA  67           HA       ALA  67   4.763  -0.876  -3.493
  539   1HB   ALA  67          1HB       ALA  67   7.510  -0.140  -4.385
  540   2HB   ALA  67          3HB       ALA  67   6.485   1.168  -3.792
  541   3HB   ALA  67          2HB       ALA  67   6.839  -0.215  -2.755
  542    H    GLU  68           H        GLU  68   6.042   0.056  -6.701
  543    HA   GLU  68           HA       GLU  68   4.447   2.370  -7.014
  544   1HB   GLU  68          2HB       GLU  68   6.334   1.855  -8.502
  545   2HB   GLU  68          1HB       GLU  68   5.461   0.459  -9.135
  546   1HG   GLU  68          2HG       GLU  68   3.670   1.945  -9.957
  547   2HG   GLU  68          1HG       GLU  68   4.542   3.343  -9.329
  548    H    SER  69           H        SER  69   3.623  -0.985  -7.151
  549    HA   SER  69           HA       SER  69   1.163  -0.504  -8.687
  550   1HB   SER  69          2HB       SER  69   2.478  -2.921  -7.477
  551   2HB   SER  69          1HB       SER  69   0.781  -2.995  -7.937
  552    HG   SER  69           HG       SER  69   2.332  -3.597  -9.604
  553    H    VAL  70           H        VAL  70   1.911  -1.525  -5.310
  554    HA   VAL  70           HA       VAL  70  -0.729  -1.584  -4.376
  555    HB   VAL  70           HB       VAL  70   1.823  -0.654  -3.017
  556   1HG1  VAL  70          2HG1      VAL  70  -0.944  -0.916  -1.791
  557   2HG1  VAL  70          1HG1      VAL  70   0.543  -0.647  -0.884
  558   3HG1  VAL  70          3HG1      VAL  70  -0.042   0.585  -2.000
  559   1HG2  VAL  70          2HG2      VAL  70   1.076  -3.163  -3.626
  560   2HG2  VAL  70          1HG2      VAL  70   1.941  -2.788  -2.136
  561   3HG2  VAL  70          3HG2      VAL  70   0.189  -2.986  -2.112
  562    H    LEU  71           H        LEU  71   1.551   1.011  -4.898
  563    HA   LEU  71           HA       LEU  71  -0.167   3.035  -3.898
  564   1HB   LEU  71          2HB       LEU  71   2.390   3.114  -4.281
  565   2HB   LEU  71          1HB       LEU  71   1.975   3.544  -5.941
  566    HG   LEU  71           HG       LEU  71   0.914   5.544  -5.286
  567   1HD1  LEU  71          3HD1      LEU  71   0.665   4.162  -2.650
  568   2HD1  LEU  71          2HD1      LEU  71   0.718   5.930  -2.661
  569   3HD1  LEU  71          1HD1      LEU  71  -0.549   5.076  -3.559
  570   1HD2  LEU  71          3HD2      LEU  71   3.493   5.243  -4.816
  571   2HD2  LEU  71          2HD2      LEU  71   2.666   6.726  -4.338
  572   3HD2  LEU  71          1HD2      LEU  71   2.996   5.472  -3.140
  573    H    GLN  72           H        GLN  72   0.469   1.890  -7.243
  574    HA   GLN  72           HA       GLN  72  -1.127   3.798  -8.562
  575   1HB   GLN  72          2HB       GLN  72  -0.423   0.953  -9.075
  576   2HB   GLN  72          1HB       GLN  72  -1.808   1.591  -9.962
  577   1HG   GLN  72          2HG       GLN  72   0.248   3.566 -10.037
  578   2HG   GLN  72          1HG       GLN  72   0.972   2.021 -10.483
  579   1HE2  GLN  72          2HE2      GLN  72  -0.549   1.983 -13.653
  580   2HE2  GLN  72          1HE2      GLN  72   0.620   1.333 -12.609
  581    H    VAL  73           H        VAL  73  -2.015   1.065  -6.620
  582    HA   VAL  73           HA       VAL  73  -4.875   1.278  -7.187
  583    HB   VAL  73           HB       VAL  73  -3.340  -0.323  -5.127
  584   1HG1  VAL  73          3HG1      VAL  73  -5.747   0.196  -4.552
  585   2HG1  VAL  73          2HG1      VAL  73  -6.200  -0.632  -6.040
  586   3HG1  VAL  73          1HG1      VAL  73  -5.391  -1.520  -4.752
  587   1HG2  VAL  73          2HG2      VAL  73  -3.614  -0.561  -7.921
  588   2HG2  VAL  73          1HG2      VAL  73  -2.994  -1.786  -6.809
  589   3HG2  VAL  73          3HG2      VAL  73  -4.711  -1.765  -7.239
  590    H    PHE  74           H        PHE  74  -2.809   2.072  -4.360
  591    HA   PHE  74           HA       PHE  74  -4.787   2.897  -2.598
  592   1HB   PHE  74          2HB       PHE  74  -1.925   3.495  -3.041
  593   2HB   PHE  74          1HB       PHE  74  -2.818   4.708  -2.142
  594    HD1  PHE  74           HD2      PHE  74  -1.760   1.189  -2.207
  595    HD2  PHE  74           HD1      PHE  74  -3.723   4.245   0.058
  596    HE1  PHE  74           HE2      PHE  74  -1.669  -0.254  -0.202
  597    HE2  PHE  74           HE1      PHE  74  -3.633   2.797   2.063
  598    HZ   PHE  74           HZ       PHE  74  -2.620   0.564   1.924
  599    H    ARG  75           H        ARG  75  -2.990   4.727  -5.020
  600    HA   ARG  75           HA       ARG  75  -4.409   7.172  -4.842
  601   1HB   ARG  75          2HB       ARG  75  -3.035   5.855  -7.207
  602   2HB   ARG  75          1HB       ARG  75  -3.629   7.514  -7.211
  603   1HG   ARG  75          2HG       ARG  75  -1.940   6.859  -4.892
  604   2HG   ARG  75          1HG       ARG  75  -1.101   6.761  -6.439
  605   1HD   ARG  75          2HD       ARG  75  -2.693   9.138  -5.432
  606   2HD   ARG  75          1HD       ARG  75  -0.935   9.037  -5.531
  607    HE   ARG  75           HE       ARG  75  -2.026   8.499  -8.115
  608   1HH1  ARG  75          1HH2      ARG  75  -2.184  11.041  -5.817
  609   2HH1  ARG  75          2HH2      ARG  75  -1.908  12.297  -6.978
  610   1HH2  ARG  75          2HH1      ARG  75  -1.433  10.111  -9.626
  611   2HH2  ARG  75          1HH1      ARG  75  -1.483  11.771  -9.134
  612    H    GLU  76           H        GLU  76  -4.939   4.273  -6.915
  613    HA   GLU  76           HA       GLU  76  -7.194   5.290  -8.328
  614   1HB   GLU  76          2HB       GLU  76  -6.093   2.624  -7.676
  615   2HB   GLU  76          1HB       GLU  76  -7.818   2.656  -8.047
  616   1HG   GLU  76          2HG       GLU  76  -7.476   3.505 -10.196
  617   2HG   GLU  76          1HG       GLU  76  -5.868   4.113  -9.801
  618    H    ALA  77           H        ALA  77  -6.850   4.259  -5.057
  619    HA   ALA  77           HA       ALA  77  -9.709   3.837  -4.592
  620   1HB   ALA  77          3HB       ALA  77  -7.334   4.037  -2.704
  621   2HB   ALA  77          2HB       ALA  77  -8.977   3.646  -2.193
  622   3HB   ALA  77          1HB       ALA  77  -8.107   2.556  -3.272
  623    H    LYS  78           H        LYS  78  -7.423   6.124  -3.030
  624    HA   LYS  78           HA       LYS  78  -9.471   7.872  -2.110
  625   1HB   LYS  78          2HB       LYS  78  -7.531   8.465  -1.058
  626   2HB   LYS  78          1HB       LYS  78  -6.537   7.971  -2.415
  627   1HG   LYS  78          2HG       LYS  78  -8.199  10.431  -2.745
  628   2HG   LYS  78          1HG       LYS  78  -6.780  10.533  -1.707
  629   1HD   LYS  78          2HD       LYS  78  -6.497   9.231  -4.389
  630   2HD   LYS  78          1HD       LYS  78  -6.563  10.993  -4.301
  631   1HE   LYS  78          2HE       LYS  78  -4.287  10.670  -4.024
  632   2HE   LYS  78          1HE       LYS  78  -4.811  10.616  -2.340
  633   1HZ   LYS  78          2HZ       LYS  78  -5.102   8.072  -3.483
  634   2HZ   LYS  78          1HZ       LYS  78  -3.526   8.622  -3.788
  635   3HZ   LYS  78          3HZ       LYS  78  -4.104   8.543  -2.196
  636    H    ALA  79           H        ALA  79  -8.265   7.319  -5.252
  637    HA   ALA  79           HA       ALA  79  -9.033   9.931  -6.358
  638   1HB   ALA  79          1HB       ALA  79  -7.146   8.482  -7.266
  639   2HB   ALA  79          3HB       ALA  79  -8.392   7.373  -7.854
  640   3HB   ALA  79          2HB       ALA  79  -8.316   9.026  -8.469
  641    H    GLU  80           H        GLU  80  -9.937   6.641  -7.279
  642    HA   GLU  80           HA       GLU  80 -12.267   7.246  -8.664
  643   1HB   GLU  80          2HB       GLU  80 -11.769   4.788  -6.966
  644   2HB   GLU  80          1HB       GLU  80 -12.877   4.924  -8.326
  645   1HG   GLU  80          2HG       GLU  80 -10.108   5.747  -8.909
  646   2HG   GLU  80          1HG       GLU  80 -10.322   4.031  -8.567
  647    H    GLY  81           H        GLY  81 -12.233   6.049  -5.252
  648   1HA   GLY  81          2HA       GLY  81 -14.426   7.956  -4.675
  649   2HA   GLY  81          1HA       GLY  81 -14.838   6.244  -4.542
  650    H    ALA  82           H        ALA  82 -12.379   5.313  -3.474
  651    HA   ALA  82           HA       ALA  82 -12.712   5.414  -0.761
  652   1HB   ALA  82          2HB       ALA  82 -10.682   4.542  -2.474
  653   2HB   ALA  82          1HB       ALA  82  -9.872   5.634  -1.347
  654   3HB   ALA  82          3HB       ALA  82 -10.783   4.251  -0.738
  655    H    ASP  83           H        ASP  83 -11.570   6.595   0.955
  656    HA   ASP  83           HA       ASP  83 -11.008   9.437   0.200
  657   1HB   ASP  83          2HB       ASP  83 -12.354   8.225   2.619
  658   2HB   ASP  83          1HB       ASP  83 -11.599   9.817   2.711
  659    H    ILE  84           H        ILE  84  -8.961   7.822  -0.132
  660    HA   ILE  84           HA       ILE  84  -7.422   7.490   2.355
  661    HB   ILE  84           HB       ILE  84  -6.855   6.816  -0.542
  662   1HG1  ILE  84          2HG1      ILE  84  -6.997   4.768   1.590
  663   2HG1  ILE  84          1HG1      ILE  84  -8.519   5.570   1.196
  664   1HG2  ILE  84          1HG2      ILE  84  -4.762   7.325   0.690
  665   2HG2  ILE  84          3HG2      ILE  84  -5.234   6.170   1.938
  666   3HG2  ILE  84          2HG2      ILE  84  -4.888   5.614   0.299
  667   1HD1  ILE  84          2HD1      ILE  84  -8.112   5.069  -1.210
  668   2HD1  ILE  84          1HD1      ILE  84  -6.665   4.175  -0.750
  669   3HD1  ILE  84          3HD1      ILE  84  -8.252   3.610  -0.229
  670    H    THR  85           H        THR  85  -5.200   8.274   2.476
  671    HA   THR  85           HA       THR  85  -4.787  10.858   1.030
  672    HB   THR  85           HB       THR  85  -3.910  10.127   3.846
  673    HG1  THR  85           HG1      THR  85  -6.171  10.570   3.550
  674   1HG2  THR  85          2HG2      THR  85  -3.482  12.518   2.068
  675   2HG2  THR  85          1HG2      THR  85  -3.477  12.693   3.823
  676   3HG2  THR  85          3HG2      THR  85  -2.302  11.637   3.039
  677    H    ILE  86           H        ILE  86  -3.492   9.907  -0.587
  678    HA   ILE  86           HA       ILE  86  -1.354   8.056   0.061
  679    HB   ILE  86           HB       ILE  86  -2.441   9.358  -2.374
  680   1HG1  ILE  86          2HG1      ILE  86  -2.526   7.162  -3.184
  681   2HG1  ILE  86          1HG1      ILE  86  -1.173   6.635  -2.195
  682   1HG2  ILE  86          3HG2      ILE  86   0.471   8.788  -2.009
  683   2HG2  ILE  86          2HG2      ILE  86  -0.270   8.358  -3.551
  684   3HG2  ILE  86          1HG2      ILE  86  -0.317  10.028  -2.986
  685   1HD1  ILE  86          3HD1      ILE  86  -3.354   7.544  -0.512
  686   2HD1  ILE  86          2HD1      ILE  86  -3.918   6.322  -1.646
  687   3HD1  ILE  86          1HD1      ILE  86  -2.574   5.959  -0.557
  688    H    ILE  87           H        ILE  87   0.310   8.801   1.265
  689    HA   ILE  87           HA       ILE  87   1.331  11.553   0.760
  690    HB   ILE  87           HB       ILE  87   2.348   9.681   2.892
  691   1HG1  ILE  87          2HG1      ILE  87  -0.185  11.341   2.872
  692   2HG1  ILE  87          1HG1      ILE  87  -0.014   9.633   3.271
  693   1HG2  ILE  87          2HG2      ILE  87   3.483  11.878   2.337
  694   2HG2  ILE  87          1HG2      ILE  87   2.008  12.692   2.856
  695   3HG2  ILE  87          3HG2      ILE  87   2.938  11.735   4.009
  696   1HD1  ILE  87          2HD1      ILE  87   1.661  10.663   5.109
  697   2HD1  ILE  87          1HD1      ILE  87   0.567  12.034   4.931
  698   3HD1  ILE  87          3HD1      ILE  87  -0.064  10.459   5.413
  699    H    LEU  88           H        LEU  88   3.247  11.874  -0.299
  700    HA   LEU  88           HA       LEU  88   5.110   9.571  -0.586
  701   1HB   LEU  88          2HB       LEU  88   3.791  11.135  -2.795
  702   2HB   LEU  88          1HB       LEU  88   5.382  10.414  -3.042
  703    HG   LEU  88           HG       LEU  88   3.193   8.728  -1.877
  704   1HD1  LEU  88          2HD1      LEU  88   2.815  10.087  -4.276
  705   2HD1  LEU  88          1HD1      LEU  88   3.432   8.514  -4.782
  706   3HD1  LEU  88          3HD1      LEU  88   1.983   8.613  -3.782
  707   1HD2  LEU  88          3HD2      LEU  88   5.871   8.393  -2.822
  708   2HD2  LEU  88          2HD2      LEU  88   4.795   7.169  -2.150
  709   3HD2  LEU  88          1HD2      LEU  88   4.802   7.480  -3.886
  710    H    SER  89           HN       SER  89   4.783  12.553   0.550
  711    HA   SER  89           HA       SER  89   6.236  14.369   0.894
  712   1HB   SER  89          2HB       SER  89   7.656  12.808   1.998
  713   2HB   SER  89          1HB       SER  89   8.127  12.047   0.477
  714    HG   SER  89           HG       SER  89   9.352  13.991   1.728
   
  No H/Q in entry =         714
  Start of MODEL    3
    1   1H    LYS   1          3H        LYS   1  -8.508   4.497   7.736
    2   2H    LYS   1          2H        LYS   1  -9.371   4.076   9.137
    3   3H    LYS   1          1H        LYS   1  -8.645   5.607   9.010
    4    HA   LYS   1           HA       LYS   1  -7.329   4.202  10.446
    5   1HB   LYS   1          2HB       LYS   1  -7.982   2.278   8.386
    6   2HB   LYS   1          1HB       LYS   1  -6.233   2.360   8.610
    7   1HG   LYS   1          2HG       LYS   1  -6.720   0.863  10.288
    8   2HG   LYS   1          1HG       LYS   1  -6.968   2.358  11.190
    9   1HD   LYS   1          2HD       LYS   1  -9.360   1.646   9.714
   10   2HD   LYS   1          1HD       LYS   1  -8.857   0.322  10.767
   11   1HE   LYS   1          2HE       LYS   1  -9.159   3.200  11.670
   12   2HE   LYS   1          1HE       LYS   1 -10.380   1.950  11.907
   13   1HZ   LYS   1          3HZ       LYS   1  -7.607   1.533  12.816
   14   2HZ   LYS   1          2HZ       LYS   1  -8.706   2.402  13.776
   15   3HZ   LYS   1          1HZ       LYS   1  -9.030   0.788  13.359
   16    H    LYS   2           H        LYS   2  -4.842   3.933  10.077
   17    HA   LYS   2           HA       LYS   2  -4.013   5.770   7.881
   18   1HB   LYS   2          2HB       LYS   2  -2.701   7.072   9.290
   19   2HB   LYS   2          1HB       LYS   2  -4.064   6.701  10.340
   20   1HG   LYS   2          2HG       LYS   2  -2.734   4.748  11.235
   21   2HG   LYS   2          1HG       LYS   2  -1.353   5.350  10.317
   22   1HD   LYS   2          2HD       LYS   2  -2.863   7.097  12.266
   23   2HD   LYS   2          1HD       LYS   2  -1.496   6.098  12.764
   24   1HE   LYS   2          2HE       LYS   2  -0.015   7.550  11.879
   25   2HE   LYS   2          1HE       LYS   2  -0.881   7.585  10.343
   26   1HZ   LYS   2          2HZ       LYS   2  -1.751   9.082  12.752
   27   2HZ   LYS   2          1HZ       LYS   2  -0.780   9.754  11.530
   28   3HZ   LYS   2          3HZ       LYS   2  -2.353   9.231  11.170
   29    H    ALA   3           H        ALA   3  -2.943   4.481   6.498
   30    HA   ALA   3           HA       ALA   3  -1.246   2.286   7.525
   31   1HB   ALA   3          3HB       ALA   3  -2.557   2.954   4.964
   32   2HB   ALA   3          2HB       ALA   3  -0.937   2.277   4.795
   33   3HB   ALA   3          1HB       ALA   3  -2.184   1.375   5.657
   34    H    VAL   4           H        VAL   4   1.012   2.302   7.292
   35    HA   VAL   4           HA       VAL   4   2.196   4.769   6.107
   36    HB   VAL   4           HB       VAL   4   3.044   3.482   8.721
   37   1HG1  VAL   4          2HG1      VAL   4   4.104   5.722   7.021
   38   2HG1  VAL   4          1HG1      VAL   4   4.301   5.792   8.772
   39   3HG1  VAL   4          3HG1      VAL   4   4.988   4.447   7.862
   40   1HG2  VAL   4          1HG2      VAL   4   0.877   4.709   8.854
   41   2HG2  VAL   4          3HG2      VAL   4   2.153   5.509   9.772
   42   3HG2  VAL   4          2HG2      VAL   4   1.672   6.139   8.196
   43    H    ILE   5           H        ILE   5   3.691   4.259   4.629
   44    HA   ILE   5           HA       ILE   5   4.776   1.504   4.544
   45    HB   ILE   5           HB       ILE   5   5.249   3.693   2.511
   46   1HG1  ILE   5          2HG1      ILE   5   2.725   3.159   3.243
   47   2HG1  ILE   5          1HG1      ILE   5   3.152   3.427   1.568
   48   1HG2  ILE   5          2HG2      ILE   5   5.647   0.776   2.706
   49   2HG2  ILE   5          1HG2      ILE   5   4.941   1.319   1.184
   50   3HG2  ILE   5          3HG2      ILE   5   6.490   1.971   1.719
   51   1HD1  ILE   5          1HD1      ILE   5   3.460   0.635   2.445
   52   2HD1  ILE   5          3HD1      ILE   5   1.805   1.238   2.497
   53   3HD1  ILE   5          2HD1      ILE   5   2.710   1.284   0.985
   54    H    ASN   6           H        ASN   6   6.763   1.157   5.398
   55    HA   ASN   6           HA       ASN   6   8.565   3.521   5.670
   56   1HB   ASN   6          2HB       ASN   6   8.978   1.058   7.311
   57   2HB   ASN   6          1HB       ASN   6   9.288   2.743   7.725
   58   1HD2  ASN   6          2HD2      ASN   6   6.342   2.752   9.621
   59   2HD2  ASN   6          1HD2      ASN   6   8.005   3.076   9.536
   60    H    GLY   7           H        GLY   7   9.828   3.334   3.832
   61   1HA   GLY   7          2HA       GLY   7  10.698   0.784   2.792
   62   2HA   GLY   7          1HA       GLY   7  11.322   2.365   2.298
   63    H    GLU   8           H        GLU   8  11.646   2.638   5.457
   64    HA   GLU   8           HA       GLU   8  14.468   1.922   5.399
   65   1HB   GLU   8          2HB       GLU   8  13.594   3.978   6.546
   66   2HB   GLU   8          1HB       GLU   8  12.820   2.928   7.733
   67   1HG   GLU   8          2HG       GLU   8  14.799   3.241   8.848
   68   2HG   GLU   8          1HG       GLU   8  15.318   1.911   7.812
   69    H    GLN   9           H        GLN   9  11.590   0.348   6.216
   70    HA   GLN   9           HA       GLN   9  13.104  -1.675   7.812
   71   1HB   GLN   9          2HB       GLN   9  11.192  -0.357   8.958
   72   2HB   GLN   9          1HB       GLN   9  10.116  -1.314   7.940
   73   1HG   GLN   9          2HG       GLN   9  10.740  -3.335   8.955
   74   2HG   GLN   9          1HG       GLN   9  12.248  -2.665   9.579
   75   1HE2  GLN   9          2HE2      GLN   9   8.853  -2.342  11.774
   76   2HE2  GLN   9          1HE2      GLN   9   8.859  -3.122  10.266
   77    H    ILE  10           H        ILE  10  11.140  -1.040   5.074
   78    HA   ILE  10           HA       ILE  10  10.296  -3.772   4.590
   79    HB   ILE  10           HB       ILE  10  10.519  -1.378   2.745
   80   1HG1  ILE  10          2HG1      ILE  10   8.855  -1.242   4.613
   81   2HG1  ILE  10          1HG1      ILE  10   8.094  -1.263   3.022
   82   1HG2  ILE  10          1HG2      ILE  10   9.787  -4.225   2.276
   83   2HG2  ILE  10          3HG2      ILE  10   8.751  -3.009   1.527
   84   3HG2  ILE  10          2HG2      ILE  10  10.476  -3.041   1.163
   85   1HD1  ILE  10          2HD1      ILE  10   8.195  -3.921   3.521
   86   2HD1  ILE  10          1HD1      ILE  10   8.053  -3.312   5.170
   87   3HD1  ILE  10          3HD1      ILE  10   6.822  -2.910   3.972
   88    H    ARG  11           H        ARG  11  12.015  -5.187   4.537
   89    HA   ARG  11           HA       ARG  11  14.567  -4.626   3.327
   90   1HB   ARG  11          2HB       ARG  11  13.687  -7.454   3.259
   91   2HB   ARG  11          1HB       ARG  11  15.146  -6.748   3.958
   92   1HG   ARG  11          2HG       ARG  11  13.642  -5.826   5.806
   93   2HG   ARG  11          1HG       ARG  11  12.386  -6.892   5.169
   94   1HD   ARG  11          2HD       ARG  11  13.333  -8.322   6.716
   95   2HD   ARG  11          1HD       ARG  11  14.356  -8.689   5.328
   96    HE   ARG  11           HE       ARG  11  16.109  -7.316   6.321
   97   1HH1  ARG  11          2HH1      ARG  11  14.467  -5.380   7.863
   98   2HH1  ARG  11          1HH1      ARG  11  14.671  -5.927   9.494
   99   1HH2  ARG  11          1HH2      ARG  11  15.860  -9.053   8.577
  100   2HH2  ARG  11          2HH2      ARG  11  15.460  -8.007   9.898
  101    H    SER  12           H        SER  12  11.641  -6.252   2.192
  102    HA   SER  12           HA       SER  12  12.385  -5.582  -0.592
  103   1HB   SER  12          2HB       SER  12  13.176  -8.003   0.216
  104   2HB   SER  12          1HB       SER  12  11.494  -8.398  -0.126
  105    HG   SER  12           HG       SER  12  13.472  -7.346  -1.856
  106    H    ILE  13           H        ILE  13  10.481  -6.207  -2.082
  107    HA   ILE  13           HA       ILE  13   8.117  -4.971  -1.301
  108    HB   ILE  13           HB       ILE  13   8.573  -5.633  -3.626
  109   1HG1  ILE  13          2HG1      ILE  13   6.311  -6.508  -4.184
  110   2HG1  ILE  13          1HG1      ILE  13   6.055  -6.884  -2.479
  111   1HG2  ILE  13          3HG2      ILE  13   8.666  -8.290  -2.350
  112   2HG2  ILE  13          2HG2      ILE  13   7.783  -8.246  -3.877
  113   3HG2  ILE  13          1HG2      ILE  13   9.465  -7.717  -3.814
  114   1HD1  ILE  13          2HD1      ILE  13   6.441  -4.463  -1.948
  115   2HD1  ILE  13          1HD1      ILE  13   6.515  -4.139  -3.679
  116   3HD1  ILE  13          3HD1      ILE  13   5.022  -4.738  -2.956
  117    H    SER  14           H        SER  14   9.241  -8.161  -0.466
  118    HA   SER  14           HA       SER  14   6.803  -9.415   0.241
  119   1HB   SER  14          2HB       SER  14   9.160 -10.421   0.237
  120   2HB   SER  14          1HB       SER  14   9.365  -9.687   1.826
  121    HG   SER  14           HG       SER  14   8.312 -11.982   1.355
  122    H    ASP  15           H        ASP  15   8.972  -7.433   2.296
  123    HA   ASP  15           HA       ASP  15   7.208  -7.477   4.562
  124   1HB   ASP  15          2HB       ASP  15   9.720  -6.192   3.783
  125   2HB   ASP  15          1HB       ASP  15   8.713  -5.172   4.804
  126    H    LEU  16           H        LEU  16   7.208  -5.751   1.621
  127    HA   LEU  16           HA       LEU  16   5.817  -3.372   2.463
  128   1HB   LEU  16          2HB       LEU  16   6.981  -3.599   0.274
  129   2HB   LEU  16          1HB       LEU  16   5.768  -4.769  -0.228
  130    HG   LEU  16           HG       LEU  16   4.275  -3.146  -0.753
  131   1HD1  LEU  16          3HD1      LEU  16   5.106  -1.799   1.831
  132   2HD1  LEU  16          2HD1      LEU  16   3.961  -1.070   0.704
  133   3HD1  LEU  16          1HD1      LEU  16   3.581  -2.609   1.475
  134   1HD2  LEU  16          2HD2      LEU  16   6.446  -2.277  -1.649
  135   2HD2  LEU  16          1HD2      LEU  16   5.254  -1.013  -1.342
  136   3HD2  LEU  16          3HD2      LEU  16   6.580  -1.270  -0.206
  137    H    HIS  17           H        HIS  17   4.624  -6.252   0.723
  138    HA   HIS  17           HA       HIS  17   1.871  -5.705   1.032
  139   1HB   HIS  17          2HB       HIS  17   3.339  -8.344   0.835
  140   2HB   HIS  17          1HB       HIS  17   1.579  -8.197   0.748
  141    HD1  HIS  17           HD1      HIS  17   0.689  -6.527  -1.216
  142    HD2  HIS  17           HD2      HIS  17   4.617  -7.872  -1.584
  143    HE1  HIS  17           HE1      HIS  17   1.372  -6.097  -3.617
  144    H    GLN  18           H        GLN  18   4.186  -6.749   3.331
  145    HA   GLN  18           HA       GLN  18   2.226  -7.837   5.210
  146   1HB   GLN  18          2HB       GLN  18   5.149  -7.116   5.535
  147   2HB   GLN  18          1HB       GLN  18   4.172  -7.878   6.790
  148   1HG   GLN  18          2HG       GLN  18   3.621  -9.613   4.876
  149   2HG   GLN  18          1HG       GLN  18   5.129  -9.013   4.185
  150   1HE2  GLN  18          2HE2      GLN  18   6.701 -11.459   6.224
  151   2HE2  GLN  18          1HE2      GLN  18   6.290 -11.012   4.639
  152    H    THR  19           H        THR  19   3.937  -4.857   4.676
  153    HA   THR  19           HA       THR  19   3.106  -3.568   7.116
  154    HB   THR  19           HB       THR  19   4.321  -2.653   4.526
  155    HG1  THR  19           HG1      THR  19   5.864  -1.872   6.110
  156   1HG2  THR  19          1HG2      THR  19   2.686  -1.017   6.324
  157   2HG2  THR  19          3HG2      THR  19   4.325  -0.395   6.127
  158   3HG2  THR  19          2HG2      THR  19   3.302  -0.647   4.712
  159    H    LEU  20           H        LEU  20   1.802  -3.782   3.890
  160    HA   LEU  20           HA       LEU  20  -0.394  -1.924   4.471
  161   1HB   LEU  20          2HB       LEU  20  -0.534  -3.876   2.206
  162   2HB   LEU  20          1HB       LEU  20  -1.041  -2.186   2.256
  163    HG   LEU  20           HG       LEU  20   1.802  -3.188   2.217
  164   1HD1  LEU  20          3HD1      LEU  20  -0.005  -2.827   0.126
  165   2HD1  LEU  20          2HD1      LEU  20   0.975  -1.361   0.119
  166   3HD1  LEU  20          1HD1      LEU  20   1.749  -2.940  -0.021
  167   1HD2  LEU  20          2HD2      LEU  20   1.110  -1.005   3.525
  168   2HD2  LEU  20          1HD2      LEU  20   2.523  -0.986   2.468
  169   3HD2  LEU  20          3HD2      LEU  20   0.989  -0.323   1.903
  170    H    LYS  21           H        LYS  21   0.227  -5.358   4.332
  171    HA   LYS  21           HA       LYS  21  -2.498  -6.209   4.796
  172   1HB   LYS  21          2HB       LYS  21  -0.877  -7.777   3.884
  173   2HB   LYS  21          1HB       LYS  21   0.162  -7.578   5.298
  174   1HG   LYS  21          2HG       LYS  21  -1.008  -9.124   6.443
  175   2HG   LYS  21          1HG       LYS  21  -2.523  -8.280   6.115
  176   1HD   LYS  21          2HD       LYS  21  -3.087  -9.965   4.734
  177   2HD   LYS  21          1HD       LYS  21  -1.775  -9.459   3.669
  178   1HE   LYS  21          2HE       LYS  21  -0.855 -11.011   5.985
  179   2HE   LYS  21          1HE       LYS  21  -1.939 -11.913   4.926
  180   1HZ   LYS  21          1HZ       LYS  21   0.076 -10.335   3.574
  181   2HZ   LYS  21          3HZ       LYS  21   0.683 -11.625   4.494
  182   3HZ   LYS  21          2HZ       LYS  21  -0.455 -11.920   3.266
  183    H    LYS  22           H        LYS  22   0.043  -4.936   6.763
  184    HA   LYS  22           HA       LYS  22  -1.131  -5.913   9.281
  185   1HB   LYS  22          2HB       LYS  22   1.193  -5.774   9.465
  186   2HB   LYS  22          1HB       LYS  22   1.283  -4.297   8.508
  187   1HG   LYS  22          2HG       LYS  22   0.264  -3.026  10.351
  188   2HG   LYS  22          1HG       LYS  22   0.145  -4.501  11.313
  189   1HD   LYS  22          2HD       LYS  22   2.299  -4.341  11.959
  190   2HD   LYS  22          1HD       LYS  22   2.840  -4.141  10.293
  191   1HE   LYS  22          2HE       LYS  22   1.465  -1.811  11.529
  192   2HE   LYS  22          1HE       LYS  22   3.078  -2.186  12.133
  193   1HZ   LYS  22          2HZ       LYS  22   3.495  -2.410   9.532
  194   2HZ   LYS  22          1HZ       LYS  22   2.248  -1.256   9.505
  195   3HZ   LYS  22          3HZ       LYS  22   3.674  -0.941  10.368
  196    H    GLU  23           H        GLU  23  -0.823  -2.823   7.514
  197    HA   GLU  23           HA       GLU  23  -2.282  -1.345   9.553
  198   1HB   GLU  23          2HB       GLU  23  -1.738  -0.569   6.680
  199   2HB   GLU  23          1HB       GLU  23  -2.187   0.518   7.995
  200   1HG   GLU  23          2HG       GLU  23   0.242  -1.216   8.301
  201   2HG   GLU  23          1HG       GLU  23   0.349   0.249   7.324
  202    H    LEU  24           H        LEU  24  -3.049  -2.163   6.214
  203    HA   LEU  24           HA       LEU  24  -5.831  -1.521   6.415
  204   1HB   LEU  24          2HB       LEU  24  -4.626  -3.524   4.494
  205   2HB   LEU  24          1HB       LEU  24  -6.039  -2.496   4.246
  206    HG   LEU  24           HG       LEU  24  -3.373  -1.228   4.803
  207   1HD1  LEU  24          2HD1      LEU  24  -3.290  -2.989   2.891
  208   2HD1  LEU  24          1HD1      LEU  24  -4.268  -1.822   1.998
  209   3HD1  LEU  24          3HD1      LEU  24  -2.666  -1.371   2.583
  210   1HD2  LEU  24          3HD2      LEU  24  -5.924  -0.282   4.417
  211   2HD2  LEU  24          2HD2      LEU  24  -4.450   0.656   4.200
  212   3HD2  LEU  24          1HD2      LEU  24  -5.216  -0.115   2.810
  213    H    ALA  25           H        ALA  25  -3.943  -4.272   7.340
  214    HA   ALA  25           HA       ALA  25  -4.577  -6.208   8.508
  215   1HB   ALA  25          3HB       ALA  25  -6.499  -4.283   9.161
  216   2HB   ALA  25          2HB       ALA  25  -7.437  -5.692   8.661
  217   3HB   ALA  25          1HB       ALA  25  -6.260  -5.835   9.966
  218    H    LEU  26           H        LEU  26  -4.337  -6.480   5.828
  219    HA   LEU  26           HA       LEU  26  -6.730  -7.466   4.533
  220   1HB   LEU  26          2HB       LEU  26  -3.867  -8.138   3.790
  221   2HB   LEU  26          1HB       LEU  26  -5.274  -8.088   2.731
  222    HG   LEU  26           HG       LEU  26  -4.165  -5.677   4.186
  223   1HD1  LEU  26          2HD1      LEU  26  -2.919  -6.866   2.124
  224   2HD1  LEU  26          1HD1      LEU  26  -4.109  -5.927   1.221
  225   3HD1  LEU  26          3HD1      LEU  26  -2.978  -5.112   2.303
  226   1HD2  LEU  26          1HD2      LEU  26  -6.689  -6.209   3.006
  227   2HD2  LEU  26          3HD2      LEU  26  -6.078  -4.657   3.579
  228   3HD2  LEU  26          2HD2      LEU  26  -5.830  -5.137   1.901
  229    HA   PRO  27           HA       PRO  27  -6.858 -11.580   5.997
  230   1HB   PRO  27          2HB       PRO  27  -7.530 -12.979   3.726
  231   2HB   PRO  27          1HB       PRO  27  -8.660 -11.942   4.619
  232   1HG   PRO  27          2HG       PRO  27  -7.263 -11.412   2.034
  233   2HG   PRO  27          1HG       PRO  27  -8.821 -10.798   2.611
  234   1HD   PRO  27          2HD       PRO  27  -6.398  -9.378   2.591
  235   2HD   PRO  27          1HD       PRO  27  -7.848  -8.925   3.514
  236    H    GLU  28           H        GLU  28  -6.199 -13.991   5.074
  237    HA   GLU  28           HA       GLU  28  -3.282 -13.923   4.968
  238   1HB   GLU  28          2HB       GLU  28  -4.393 -15.626   6.313
  239   2HB   GLU  28          1HB       GLU  28  -5.261 -16.218   4.894
  240   1HG   GLU  28          2HG       GLU  28  -3.110 -16.809   3.828
  241   2HG   GLU  28          1HG       GLU  28  -2.248 -16.235   5.257
  242    H    TYR  29           H        TYR  29  -5.902 -14.905   2.757
  243    HA   TYR  29           HA       TYR  29  -4.071 -15.821   0.712
  244   1HB   TYR  29          2HB       TYR  29  -6.144 -15.701  -0.755
  245   2HB   TYR  29          1HB       TYR  29  -6.269 -16.739   0.668
  246    HD1  TYR  29           HD1      TYR  29  -6.765 -13.117  -0.230
  247    HD2  TYR  29           HD2      TYR  29  -8.178 -16.536   1.958
  248    HE1  TYR  29           HE1      TYR  29  -8.731 -11.815   0.543
  249    HE2  TYR  29           HE2      TYR  29 -10.138 -15.231   2.736
  250    HH   TYR  29           HH       TYR  29 -11.414 -12.987   1.603
  251    H    TYR  30           H        TYR  30  -4.559 -12.762   1.822
  252    HA   TYR  30           HA       TYR  30  -5.036 -10.953  -0.141
  253   1HB   TYR  30          2HB       TYR  30  -4.125 -10.293   2.028
  254   2HB   TYR  30          1HB       TYR  30  -2.567 -11.008   1.618
  255    HD1  TYR  30           HD1      TYR  30  -4.724  -9.141  -0.754
  256    HD2  TYR  30           HD2      TYR  30  -1.228  -9.027   1.741
  257    HE1  TYR  30           HE1      TYR  30  -4.030  -7.005  -1.816
  258    HE2  TYR  30           HE2      TYR  30  -0.534  -6.903   0.676
  259    HH   TYR  30           HH       TYR  30  -1.054  -5.803  -1.741
  260    H    GLY  31           H        GLY  31  -4.576 -11.056  -2.271
  261   1HA   GLY  31          2HA       GLY  31  -2.551 -12.653  -3.450
  262   2HA   GLY  31          1HA       GLY  31  -3.381 -11.326  -4.268
  263    H    GLU  32           H        GLU  32  -2.230  -9.690  -1.788
  264    HA   GLU  32           HA       GLU  32  -0.422  -8.204  -1.576
  265   1HB   GLU  32          2HB       GLU  32   1.006 -10.702  -2.538
  266   2HB   GLU  32          1HB       GLU  32   1.834  -9.268  -1.934
  267   1HG   GLU  32          2HG       GLU  32   1.567 -10.037   0.162
  268   2HG   GLU  32          1HG       GLU  32  -0.178  -9.895  -0.040
  269    H    ASN  33           H        ASN  33  -1.803  -7.580  -3.760
  270    HA   ASN  33           HA       ASN  33   0.255  -6.660  -5.628
  271   1HB   ASN  33          2HB       ASN  33  -1.279  -7.656  -7.560
  272   2HB   ASN  33          1HB       ASN  33  -0.010  -8.633  -6.826
  273   1HD2  ASN  33          2HD2      ASN  33  -2.707 -10.971  -6.464
  274   2HD2  ASN  33          1HD2      ASN  33  -1.408 -10.539  -7.466
  275    H    LEU  34           H        LEU  34  -1.440  -5.855  -7.704
  276    HA   LEU  34           HA       LEU  34  -2.852  -3.643  -6.403
  277   1HB   LEU  34          2HB       LEU  34  -3.375  -3.973  -9.266
  278   2HB   LEU  34          1HB       LEU  34  -2.685  -2.599  -8.406
  279    HG   LEU  34           HG       LEU  34  -0.597  -4.268  -8.220
  280   1HD1  LEU  34          1HD1      LEU  34  -2.050  -5.974  -9.542
  281   2HD1  LEU  34          3HD1      LEU  34  -1.688  -4.966 -10.944
  282   3HD1  LEU  34          2HD1      LEU  34  -0.378  -5.739 -10.052
  283   1HD2  LEU  34          3HD2      LEU  34  -1.443  -2.472 -10.487
  284   2HD2  LEU  34          2HD2      LEU  34  -0.336  -2.113  -9.163
  285   3HD2  LEU  34          1HD2      LEU  34   0.153  -3.218 -10.448
  286    H    ASP  35           H        ASP  35  -3.653  -6.699  -7.858
  287    HA   ASP  35           HA       ASP  35  -6.467  -6.149  -8.208
  288   1HB   ASP  35          2HB       ASP  35  -6.518  -8.745  -8.161
  289   2HB   ASP  35          1HB       ASP  35  -5.745  -7.938  -9.518
  290    H    ALA  36           H        ALA  36  -4.656  -8.026  -5.731
  291    HA   ALA  36           HA       ALA  36  -7.038  -8.440  -4.142
  292   1HB   ALA  36          3HB       ALA  36  -4.731  -9.747  -4.168
  293   2HB   ALA  36          2HB       ALA  36  -4.319  -8.579  -2.911
  294   3HB   ALA  36          1HB       ALA  36  -5.701  -9.656  -2.695
  295    H    LEU  37           H        LEU  37  -4.390  -6.148  -4.063
  296    HA   LEU  37           HA       LEU  37  -5.140  -4.867  -1.593
  297   1HB   LEU  37          2HB       LEU  37  -2.924  -4.553  -2.671
  298   2HB   LEU  37          1HB       LEU  37  -3.714  -3.683  -3.984
  299    HG   LEU  37           HG       LEU  37  -4.684  -2.486  -1.651
  300   1HD1  LEU  37          2HD1      LEU  37  -1.760  -3.208  -1.454
  301   2HD1  LEU  37          1HD1      LEU  37  -2.402  -1.768  -0.663
  302   3HD1  LEU  37          3HD1      LEU  37  -3.013  -3.363  -0.223
  303   1HD2  LEU  37          3HD2      LEU  37  -2.722  -1.780  -3.808
  304   2HD2  LEU  37          2HD2      LEU  37  -4.316  -1.103  -3.480
  305   3HD2  LEU  37          1HD2      LEU  37  -2.947  -0.665  -2.457
  306    H    TRP  38           H        TRP  38  -5.669  -3.953  -4.986
  307    HA   TRP  38           HA       TRP  38  -7.416  -1.773  -4.532
  308   1HB   TRP  38          2HB       TRP  38  -6.460  -2.334  -6.740
  309   2HB   TRP  38          1HB       TRP  38  -7.369  -3.835  -6.748
  310    HD1  TRP  38           HD1      TRP  38  -9.271  -3.708  -8.301
  311    HE1  TRP  38           HE1      TRP  38 -11.014  -1.956  -9.030
  312    HE3  TRP  38           HE3      TRP  38  -7.735   0.297  -5.512
  313    HZ2  TRP  38           HZ2      TRP  38 -11.655   0.776  -8.519
  314    HZ3  TRP  38           HZ3      TRP  38  -8.912   2.460  -5.682
  315    HH2  TRP  38           HH2      TRP  38 -10.876   2.705  -7.171
  316    H    ASP  39           H        ASP  39  -7.971  -5.215  -4.736
  317    HA   ASP  39           HA       ASP  39 -10.830  -5.121  -4.519
  318   1HB   ASP  39          2HB       ASP  39  -8.737  -7.165  -4.373
  319   2HB   ASP  39          1HB       ASP  39 -10.086  -7.485  -3.278
  320    H    ALA  40           H        ALA  40  -8.234  -4.946  -2.212
  321    HA   ALA  40           HA       ALA  40 -10.001  -5.237   0.116
  322   1HB   ALA  40          2HB       ALA  40  -7.417  -5.758  -0.091
  323   2HB   ALA  40          1HB       ALA  40  -7.253  -4.046   0.302
  324   3HB   ALA  40          3HB       ALA  40  -8.078  -5.133   1.420
  325    H    LEU  41           H        LEU  41  -7.813  -2.569  -0.796
  326    HA   LEU  41           HA       LEU  41  -8.824  -0.515   0.681
  327   1HB   LEU  41          2HB       LEU  41  -7.794  -0.580  -2.133
  328   2HB   LEU  41          1HB       LEU  41  -8.374   0.938  -1.454
  329    HG   LEU  41           HG       LEU  41  -6.449  -0.721   0.130
  330   1HD1  LEU  41          1HD1      LEU  41  -5.469  -0.556  -2.144
  331   2HD1  LEU  41          3HD1      LEU  41  -5.678   1.197  -2.096
  332   3HD1  LEU  41          2HD1      LEU  41  -4.559   0.407  -0.979
  333   1HD2  LEU  41          1HD2      LEU  41  -7.723   1.665   0.569
  334   2HD2  LEU  41          3HD2      LEU  41  -6.232   1.159   1.363
  335   3HD2  LEU  41          2HD2      LEU  41  -6.164   2.196  -0.062
  336    H    THR  42           H        THR  42 -10.110  -1.595  -2.407
  337    HA   THR  42           HA       THR  42 -12.358   0.253  -2.310
  338    HB   THR  42           HB       THR  42 -13.061  -0.736  -4.353
  339    HG1  THR  42           HG1      THR  42 -13.086  -2.876  -3.781
  340   1HG2  THR  42          1HG2      THR  42 -10.167  -0.397  -3.906
  341   2HG2  THR  42          3HG2      THR  42 -10.578  -1.350  -5.332
  342   3HG2  THR  42          2HG2      THR  42 -11.202   0.290  -5.157
  343    H    GLY  43           H        GLY  43 -11.867  -3.132  -1.364
  344   1HA   GLY  43          2HA       GLY  43 -14.569  -3.006  -0.114
  345   2HA   GLY  43          1HA       GLY  43 -14.169  -4.388  -1.135
  346    H    TRP  44           H        TRP  44 -12.513  -2.613   1.559
  347    HA   TRP  44           HA       TRP  44 -12.620  -4.884   3.316
  348   1HB   TRP  44          2HB       TRP  44 -11.040  -5.869   1.702
  349   2HB   TRP  44          1HB       TRP  44  -9.989  -4.461   1.873
  350    HD1  TRP  44           HD1      TRP  44  -9.215  -3.965   4.543
  351    HE1  TRP  44           HE1      TRP  44  -8.432  -5.697   6.287
  352    HE3  TRP  44           HE3      TRP  44 -11.118  -8.230   2.473
  353    HZ2  TRP  44           HZ2      TRP  44  -8.594  -8.522   6.742
  354    HZ3  TRP  44           HZ3      TRP  44 -10.789 -10.422   3.579
  355    HH2  TRP  44           HH2      TRP  44  -9.529 -10.573   5.710
  356    H    VAL  45           H        VAL  45 -10.593  -2.180   2.299
  357    HA   VAL  45           HA       VAL  45  -9.688  -1.509   4.949
  358    HB   VAL  45           HB       VAL  45  -9.650  -0.259   2.236
  359   1HG1  VAL  45          1HG1      VAL  45 -10.236   1.589   3.741
  360   2HG1  VAL  45          3HG1      VAL  45  -8.850   1.193   4.759
  361   3HG1  VAL  45          2HG1      VAL  45  -8.597   1.762   3.110
  362   1HG2  VAL  45          3HG2      VAL  45  -7.657  -1.185   4.294
  363   2HG2  VAL  45          2HG2      VAL  45  -7.839  -1.713   2.620
  364   3HG2  VAL  45          1HG2      VAL  45  -7.163  -0.124   2.975
  365    H    GLU  46           H        GLU  46 -10.215   0.700   5.908
  366    HA   GLU  46           HA       GLU  46 -13.091   1.396   5.501
  367   1HB   GLU  46          2HB       GLU  46 -11.577   0.805   8.019
  368   2HB   GLU  46          1HB       GLU  46 -12.828   2.048   8.072
  369   1HG   GLU  46          2HG       GLU  46 -14.489   0.521   7.955
  370   2HG   GLU  46          1HG       GLU  46 -13.700  -0.343   6.635
  371    H    TYR  47           H        TYR  47 -12.881   3.299   4.423
  372    HA   TYR  47           HA       TYR  47 -10.752   5.195   5.025
  373   1HB   TYR  47          2HB       TYR  47 -13.218   5.500   3.287
  374   2HB   TYR  47          1HB       TYR  47 -11.774   6.515   3.233
  375    HD1  TYR  47           HD2      TYR  47  -9.518   4.784   3.333
  376    HD2  TYR  47           HD1      TYR  47 -13.312   4.090   1.437
  377    HE1  TYR  47           HE2      TYR  47  -8.441   3.177   1.767
  378    HE2  TYR  47           HE1      TYR  47 -12.231   2.498  -0.129
  379    HH   TYR  47           HH       TYR  47 -10.180   1.863  -0.965
  380    HA   PRO  48           HA       PRO  48 -11.018   7.675   4.342
  381   1HB   PRO  48          2HB       PRO  48  -9.861   9.540   5.998
  382   2HB   PRO  48          1HB       PRO  48 -11.342   9.820   5.061
  383   1HG   PRO  48          2HG       PRO  48 -11.039   9.254   7.985
  384   2HG   PRO  48          1HG       PRO  48 -12.272  10.214   7.149
  385   1HD   PRO  48          2HD       PRO  48 -12.660   7.613   8.091
  386   2HD   PRO  48          1HD       PRO  48 -13.643   8.390   6.830
  387    H    LEU  49           H        LEU  49  -8.911   7.105   3.968
  388    HA   LEU  49           HA       LEU  49  -7.464   5.761   6.212
  389   1HB   LEU  49          2HB       LEU  49  -7.931   4.087   4.630
  390   2HB   LEU  49          1HB       LEU  49  -7.705   5.183   3.267
  391    HG   LEU  49           HG       LEU  49  -5.244   5.293   3.906
  392   1HD1  LEU  49          2HD1      LEU  49  -5.884   4.271   6.252
  393   2HD1  LEU  49          1HD1      LEU  49  -5.741   2.734   5.401
  394   3HD1  LEU  49          3HD1      LEU  49  -4.358   3.823   5.493
  395   1HD2  LEU  49          2HD2      LEU  49  -6.760   3.261   2.564
  396   2HD2  LEU  49          1HD2      LEU  49  -5.139   3.853   2.194
  397   3HD2  LEU  49          3HD2      LEU  49  -5.355   2.524   3.332
  398    H    VAL  50           H        VAL  50  -5.088   5.960   6.135
  399    HA   VAL  50           HA       VAL  50  -4.170   8.406   4.673
  400    HB   VAL  50           HB       VAL  50  -3.927   7.654   7.556
  401   1HG1  VAL  50          3HG1      VAL  50  -1.661   8.597   5.881
  402   2HG1  VAL  50          2HG1      VAL  50  -1.923   9.477   7.388
  403   3HG1  VAL  50          1HG1      VAL  50  -1.640   7.737   7.421
  404   1HG2  VAL  50          3HG2      VAL  50  -5.306   9.554   6.393
  405   2HG2  VAL  50          2HG2      VAL  50  -4.444   9.910   7.890
  406   3HG2  VAL  50          1HG2      VAL  50  -3.757  10.394   6.339
  407    H    LEU  51           H        LEU  51  -3.079   7.297   3.009
  408    HA   LEU  51           HA       LEU  51  -1.315   5.034   3.660
  409   1HB   LEU  51          2HB       LEU  51  -2.613   5.196   1.501
  410   2HB   LEU  51          1HB       LEU  51  -1.574   6.552   1.053
  411    HG   LEU  51           HG       LEU  51   0.394   4.913   1.512
  412   1HD1  LEU  51          3HD1      LEU  51  -1.996   3.128   1.481
  413   2HD1  LEU  51          2HD1      LEU  51  -0.474   2.545   0.794
  414   3HD1  LEU  51          1HD1      LEU  51  -0.552   3.037   2.494
  415   1HD2  LEU  51          3HD2      LEU  51  -1.500   4.608  -0.817
  416   2HD2  LEU  51          2HD2      LEU  51  -0.098   5.677  -0.720
  417   3HD2  LEU  51          1HD2      LEU  51   0.123   3.927  -0.782
  418    H    GLU  52           H        GLU  52  -0.208   6.821   5.208
  419    HA   GLU  52           HA       GLU  52   1.532   8.760   4.015
  420   1HB   GLU  52          2HB       GLU  52   1.106   8.890   6.386
  421   2HB   GLU  52          1HB       GLU  52   1.684   7.242   6.636
  422   1HG   GLU  52          2HG       GLU  52   3.880   7.864   6.578
  423   2HG   GLU  52          1HG       GLU  52   3.606   9.075   5.324
  424    H    TRP  53           H        TRP  53   2.482   7.622   2.183
  425    HA   TRP  53           HA       TRP  53   4.043   5.215   2.648
  426   1HB   TRP  53          2HB       TRP  53   2.871   6.017   0.451
  427   2HB   TRP  53          1HB       TRP  53   4.365   6.931   0.204
  428    HD1  TRP  53           HD1      TRP  53   6.648   5.197   0.863
  429    HE1  TRP  53           HE1      TRP  53   7.064   2.867  -0.157
  430    HE3  TRP  53           HE3      TRP  53   1.941   4.090  -0.732
  431    HZ2  TRP  53           HZ2      TRP  53   5.579   0.808  -1.469
  432    HZ3  TRP  53           HZ3      TRP  53   1.453   1.947  -1.857
  433    HH2  TRP  53           HH2      TRP  53   3.274   0.293  -2.230
  434    H    ARG  54           H        ARG  54   5.616   5.866   4.249
  435    HA   ARG  54           HA       ARG  54   7.279   8.158   4.085
  436   1HB   ARG  54          2HB       ARG  54   8.263   5.462   5.044
  437   2HB   ARG  54          1HB       ARG  54   8.731   7.060   5.625
  438   1HG   ARG  54          2HG       ARG  54   5.871   6.730   5.862
  439   2HG   ARG  54          1HG       ARG  54   6.700   5.396   6.665
  440   1HD   ARG  54          2HD       ARG  54   6.995   8.357   7.182
  441   2HD   ARG  54          1HD       ARG  54   6.534   7.092   8.321
  442    HE   ARG  54           HE       ARG  54   9.104   6.404   7.447
  443   1HH1  ARG  54          1HH2      ARG  54   9.668   9.296   7.294
  444   2HH1  ARG  54          2HH2      ARG  54  10.128   9.689   8.916
  445   1HH2  ARG  54          2HH1      ARG  54   8.777   6.802  10.282
  446   2HH2  ARG  54          1HH1      ARG  54   9.623   8.278  10.609
  447    H    GLN  55           H        GLN  55   8.939   8.663   2.670
  448    HA   GLN  55           HA       GLN  55  10.272   8.410   0.735
  449   1HB   GLN  55          2HB       GLN  55  10.923   6.283   2.627
  450   2HB   GLN  55          1HB       GLN  55  11.211   5.778   0.961
  451   1HG   GLN  55          2HG       GLN  55  13.237   6.812   1.509
  452   2HG   GLN  55          1HG       GLN  55  12.354   8.124   0.726
  453   1HE2  GLN  55          2HE2      GLN  55  12.798  10.121   3.586
  454   2HE2  GLN  55          1HE2      GLN  55  12.854   9.994   1.894
  455    H    PHE  56           H        PHE  56  10.728   6.042  -0.825
  456    HA   PHE  56           HA       PHE  56   8.448   4.472  -1.355
  457   1HB   PHE  56          2HB       PHE  56   7.211   6.515  -1.789
  458   2HB   PHE  56          1HB       PHE  56   8.472   7.097  -2.877
  459    HD1  PHE  56           HD1      PHE  56   8.803   6.063  -5.090
  460    HD2  PHE  56           HD2      PHE  56   5.655   4.785  -2.464
  461    HE1  PHE  56           HE1      PHE  56   7.713   4.885  -6.971
  462    HE2  PHE  56           HE2      PHE  56   4.562   3.607  -4.343
  463    HZ   PHE  56           HZ       PHE  56   5.591   3.656  -6.603
  464    H    GLU  57           H        GLU  57  10.248   6.542  -3.644
  465    HA   GLU  57           HA       GLU  57  10.824   4.567  -5.535
  466   1HB   GLU  57          2HB       GLU  57  12.211   7.105  -4.731
  467   2HB   GLU  57          1HB       GLU  57  12.961   6.047  -5.928
  468   1HG   GLU  57          2HG       GLU  57  11.609   6.930  -7.493
  469   2HG   GLU  57          1HG       GLU  57  10.229   6.238  -6.639
  470    H    GLN  58           H        GLN  58  12.601   5.320  -2.556
  471    HA   GLN  58           HA       GLN  58  14.926   3.805  -3.028
  472   1HB   GLN  58          2HB       GLN  58  14.795   3.415  -0.444
  473   2HB   GLN  58          1HB       GLN  58  15.000   5.053  -1.060
  474   1HG   GLN  58          2HG       GLN  58  13.073   5.689  -0.097
  475   2HG   GLN  58          1HG       GLN  58  12.193   4.435  -0.970
  476   1HE2  GLN  58          2HE2      GLN  58  13.122   2.080   1.855
  477   2HE2  GLN  58          1HE2      GLN  58  13.604   2.161   0.231
  478    H    SER  59           H        SER  59  12.063   2.615  -1.198
  479    HA   SER  59           HA       SER  59  12.996  -0.134  -1.485
  480   1HB   SER  59          2HB       SER  59  11.486   1.039   0.389
  481   2HB   SER  59          1HB       SER  59  10.190   0.461  -0.660
  482    HG   SER  59           HG       SER  59  12.289  -1.285  -0.064
  483    H    LYS  60           H        LYS  60  11.423   1.959  -3.550
  484    HA   LYS  60           HA       LYS  60   9.590   0.007  -4.752
  485   1HB   LYS  60          2HB       LYS  60   9.013   2.379  -4.740
  486   2HB   LYS  60          1HB       LYS  60  10.477   2.750  -5.657
  487   1HG   LYS  60          2HG       LYS  60   8.952   0.660  -6.966
  488   2HG   LYS  60          1HG       LYS  60   7.956   2.094  -6.716
  489   1HD   LYS  60          2HD       LYS  60   9.323   3.441  -8.027
  490   2HD   LYS  60          1HD       LYS  60  10.747   2.435  -7.757
  491   1HE   LYS  60          2HE       LYS  60  10.275   1.103  -9.528
  492   2HE   LYS  60          1HE       LYS  60   8.564   1.010  -9.108
  493   1HZ   LYS  60          3HZ       LYS  60   9.250   3.621  -9.977
  494   2HZ   LYS  60          2HZ       LYS  60   9.698   2.475 -11.148
  495   3HZ   LYS  60          1HZ       LYS  60   8.090   2.554 -10.605
  496    H    GLN  61           H        GLN  61  12.900   1.020  -5.231
  497    HA   GLN  61           HA       GLN  61  13.045   0.069  -7.985
  498   1HB   GLN  61          2HB       GLN  61  14.610   1.715  -6.390
  499   2HB   GLN  61          1HB       GLN  61  15.594   0.265  -6.591
  500   1HG   GLN  61          2HG       GLN  61  16.049   1.840  -8.414
  501   2HG   GLN  61          1HG       GLN  61  15.255   0.398  -9.047
  502   1HE2  GLN  61          2HE2      GLN  61  13.395   3.182 -10.567
  503   2HE2  GLN  61          1HE2      GLN  61  14.913   2.439 -10.731
  504    H    LEU  62           H        LEU  62  14.790  -0.973  -5.126
  505    HA   LEU  62           HA       LEU  62  15.869  -3.336  -5.941
  506   1HB   LEU  62          2HB       LEU  62  14.844  -4.115  -3.471
  507   2HB   LEU  62          1HB       LEU  62  16.398  -3.329  -3.754
  508    HG   LEU  62           HG       LEU  62  15.381  -1.132  -3.448
  509   1HD1  LEU  62          2HD1      LEU  62  12.952  -2.670  -3.851
  510   2HD1  LEU  62          1HD1      LEU  62  12.845  -1.698  -2.392
  511   3HD1  LEU  62          3HD1      LEU  62  13.182  -0.923  -3.941
  512   1HD2  LEU  62          3HD2      LEU  62  14.593  -3.092  -1.274
  513   2HD2  LEU  62          2HD2      LEU  62  16.153  -2.282  -1.429
  514   3HD2  LEU  62          1HD2      LEU  62  14.703  -1.344  -1.070
  515    H    THR  63           H        THR  63  12.470  -2.770  -5.576
  516    HA   THR  63           HA       THR  63  11.838  -5.640  -5.794
  517    HB   THR  63           HB       THR  63  10.495  -4.098  -4.343
  518    HG1  THR  63           HG1      THR  63   9.702  -6.050  -5.593
  519   1HG2  THR  63          3HG2      THR  63  10.241  -2.711  -6.930
  520   2HG2  THR  63          2HG2      THR  63   8.739  -2.863  -6.020
  521   3HG2  THR  63          1HG2      THR  63  10.134  -2.069  -5.291
  522    H    GLU  64           H        GLU  64   9.382  -4.515  -7.493
  523    HA   GLU  64           HA       GLU  64  10.605  -3.903 -10.046
  524   1HB   GLU  64          2HB       GLU  64   9.471  -6.071 -11.029
  525   2HB   GLU  64          1HB       GLU  64  11.088  -6.177 -10.332
  526   1HG   GLU  64          2HG       GLU  64  10.007  -6.795  -8.134
  527   2HG   GLU  64          1HG       GLU  64   8.469  -6.899  -8.992
  528    H    ASN  65           H        ASN  65   8.883  -2.343  -8.890
  529    HA   ASN  65           HA       ASN  65   6.892  -1.217  -9.471
  530   1HB   ASN  65          2HB       ASN  65   5.903  -1.821 -11.411
  531   2HB   ASN  65          1HB       ASN  65   7.121  -3.089 -11.497
  532   1HD2  ASN  65          2HD2      ASN  65   3.430  -4.337 -11.506
  533   2HD2  ASN  65          1HD2      ASN  65   4.046  -2.911 -12.189
  534    H    GLY  66           H        GLY  66   7.469  -3.366  -7.302
  535   1HA   GLY  66          2HA       GLY  66   4.853  -4.428  -6.617
  536   2HA   GLY  66          1HA       GLY  66   6.276  -4.426  -5.569
  537    H    ALA  67           H        ALA  67   6.799  -1.644  -5.541
  538    HA   ALA  67           HA       ALA  67   4.768  -0.789  -3.624
  539   1HB   ALA  67          3HB       ALA  67   7.455   0.072  -4.456
  540   2HB   ALA  67          2HB       ALA  67   6.372   1.409  -4.072
  541   3HB   ALA  67          1HB       ALA  67   6.689   0.157  -2.871
  542    H    GLU  68           H        GLU  68   5.939   0.436  -6.773
  543    HA   GLU  68           HA       GLU  68   4.148   2.577  -7.040
  544   1HB   GLU  68          2HB       GLU  68   4.644   2.540  -9.378
  545   2HB   GLU  68          1HB       GLU  68   6.102   1.971  -8.564
  546   1HG   GLU  68          2HG       GLU  68   5.310  -0.386  -8.932
  547   2HG   GLU  68          1HG       GLU  68   3.982   0.261  -9.895
  548    H    SER  69           H        SER  69   3.493  -0.801  -7.087
  549    HA   SER  69           HA       SER  69   1.010  -0.495  -8.634
  550   1HB   SER  69          2HB       SER  69   2.359  -2.817  -7.255
  551   2HB   SER  69          1HB       SER  69   0.708  -2.950  -7.855
  552    HG   SER  69           HG       SER  69   2.017  -3.572  -9.513
  553    H    VAL  70           H        VAL  70   1.720  -1.579  -5.264
  554    HA   VAL  70           HA       VAL  70  -0.929  -1.497  -4.357
  555    HB   VAL  70           HB       VAL  70   1.577  -0.655  -2.861
  556   1HG1  VAL  70          3HG1      VAL  70  -1.143  -0.320  -2.163
  557   2HG1  VAL  70          2HG1      VAL  70  -0.568  -1.692  -1.222
  558   3HG1  VAL  70          1HG1      VAL  70   0.257  -0.138  -1.106
  559   1HG2  VAL  70          1HG2      VAL  70   0.974  -3.140  -3.837
  560   2HG2  VAL  70          3HG2      VAL  70   1.922  -2.868  -2.375
  561   3HG2  VAL  70          2HG2      VAL  70   0.196  -3.210  -2.257
  562    H    LEU  71           H        LEU  71   1.333   0.974  -5.186
  563    HA   LEU  71           HA       LEU  71  -0.207   3.055  -3.910
  564   1HB   LEU  71          2HB       LEU  71   2.314   3.120  -4.322
  565   2HB   LEU  71          1HB       LEU  71   1.918   3.476  -6.004
  566    HG   LEU  71           HG       LEU  71   0.805   5.493  -5.422
  567   1HD1  LEU  71          3HD1      LEU  71   0.715   4.231  -2.725
  568   2HD1  LEU  71          2HD1      LEU  71   0.810   5.995  -2.787
  569   3HD1  LEU  71          1HD1      LEU  71  -0.530   5.153  -3.580
  570   1HD2  LEU  71          2HD2      LEU  71   3.443   5.175  -5.019
  571   2HD2  LEU  71          1HD2      LEU  71   2.631   6.721  -4.764
  572   3HD2  LEU  71          3HD2      LEU  71   2.972   5.667  -3.391
  573    H    GLN  72           H        GLN  72   0.233   1.879  -7.255
  574    HA   GLN  72           HA       GLN  72  -1.326   3.899  -8.499
  575   1HB   GLN  72          2HB       GLN  72  -0.579   1.102  -9.140
  576   2HB   GLN  72          1HB       GLN  72  -2.021   1.711  -9.955
  577   1HG   GLN  72          2HG       GLN  72  -0.627   3.774 -10.557
  578   2HG   GLN  72          1HG       GLN  72   0.780   2.841 -10.044
  579   1HE2  GLN  72          2HE2      GLN  72   0.289   0.389 -12.728
  580   2HE2  GLN  72          1HE2      GLN  72   0.594   0.401 -11.059
  581    H    VAL  73           H        VAL  73  -2.188   1.129  -6.614
  582    HA   VAL  73           HA       VAL  73  -5.054   1.332  -7.167
  583    HB   VAL  73           HB       VAL  73  -3.512  -0.285  -5.121
  584   1HG1  VAL  73          1HG1      VAL  73  -5.948   0.205  -4.604
  585   2HG1  VAL  73          3HG1      VAL  73  -6.344  -0.658  -6.088
  586   3HG1  VAL  73          2HG1      VAL  73  -5.538  -1.502  -4.768
  587   1HG2  VAL  73          2HG2      VAL  73  -3.699  -0.486  -7.912
  588   2HG2  VAL  73          1HG2      VAL  73  -3.142  -1.746  -6.805
  589   3HG2  VAL  73          3HG2      VAL  73  -4.840  -1.688  -7.299
  590    H    PHE  74           H        PHE  74  -2.980   1.994  -4.320
  591    HA   PHE  74           HA       PHE  74  -4.936   2.855  -2.548
  592   1HB   PHE  74          2HB       PHE  74  -2.048   3.360  -2.971
  593   2HB   PHE  74          1HB       PHE  74  -2.899   4.588  -2.051
  594    HD1  PHE  74           HD1      PHE  74  -4.665   3.554  -0.276
  595    HD2  PHE  74           HD2      PHE  74  -1.145   1.595  -1.765
  596    HE1  PHE  74           HE1      PHE  74  -4.670   2.026   1.664
  597    HE2  PHE  74           HE2      PHE  74  -1.164   0.079   0.197
  598    HZ   PHE  74           HZ       PHE  74  -2.942   0.313   1.899
  599    H    ARG  75           H        ARG  75  -3.039   4.743  -4.855
  600    HA   ARG  75           HA       ARG  75  -4.467   7.187  -4.621
  601   1HB   ARG  75          2HB       ARG  75  -2.731   5.939  -6.725
  602   2HB   ARG  75          1HB       ARG  75  -3.652   7.388  -7.132
  603   1HG   ARG  75          2HG       ARG  75  -2.657   8.580  -5.231
  604   2HG   ARG  75          1HG       ARG  75  -1.763   7.129  -4.774
  605   1HD   ARG  75          2HD       ARG  75  -0.514   8.908  -6.178
  606   2HD   ARG  75          1HD       ARG  75  -0.390   7.226  -6.693
  607    HE   ARG  75           HE       ARG  75  -2.301   9.152  -7.955
  608   1HH1  ARG  75          2HH1      ARG  75   0.607   7.547  -8.389
  609   2HH1  ARG  75          1HH1      ARG  75   0.203   6.857  -9.926
  610   1HH2  ARG  75          1HH2      ARG  75  -3.121   7.838  -9.788
  611   2HH2  ARG  75          2HH2      ARG  75  -1.908   7.022 -10.718
  612    H    GLU  76           H        GLU  76  -4.969   4.347  -6.780
  613    HA   GLU  76           HA       GLU  76  -7.076   5.427  -8.340
  614   1HB   GLU  76          2HB       GLU  76  -6.296   2.693  -7.456
  615   2HB   GLU  76          1HB       GLU  76  -7.933   2.895  -8.078
  616   1HG   GLU  76          2HG       GLU  76  -5.366   3.642  -9.496
  617   2HG   GLU  76          1HG       GLU  76  -6.450   2.316  -9.914
  618    H    ALA  77           H        ALA  77  -7.041   4.325  -5.034
  619    HA   ALA  77           HA       ALA  77  -9.957   4.292  -4.758
  620   1HB   ALA  77          2HB       ALA  77  -7.706   4.172  -2.716
  621   2HB   ALA  77          1HB       ALA  77  -9.408   3.924  -2.342
  622   3HB   ALA  77          3HB       ALA  77  -8.564   2.793  -3.395
  623    H    LYS  78           H        LYS  78  -7.313   6.420  -3.581
  624    HA   LYS  78           HA       LYS  78  -9.086   8.361  -2.451
  625   1HB   LYS  78          2HB       LYS  78  -7.143   9.630  -2.114
  626   2HB   LYS  78          1HB       LYS  78  -6.528   7.984  -2.110
  627   1HG   LYS  78          2HG       LYS  78  -5.053   8.803  -3.646
  628   2HG   LYS  78          1HG       LYS  78  -6.393   8.560  -4.767
  629   1HD   LYS  78          2HD       LYS  78  -5.482  10.831  -5.005
  630   2HD   LYS  78          1HD       LYS  78  -7.130  10.891  -4.379
  631   1HE   LYS  78          2HE       LYS  78  -6.451  11.874  -2.467
  632   2HE   LYS  78          1HE       LYS  78  -5.199  10.658  -2.220
  633   1HZ   LYS  78          2HZ       LYS  78  -4.274  12.143  -4.306
  634   2HZ   LYS  78          1HZ       LYS  78  -4.979  13.304  -3.285
  635   3HZ   LYS  78          3HZ       LYS  78  -3.768  12.275  -2.689
  636    H    ALA  79           H        ALA  79  -8.450   7.474  -5.643
  637    HA   ALA  79           HA       ALA  79  -8.962  10.150  -6.799
  638   1HB   ALA  79          1HB       ALA  79  -7.474   7.972  -7.649
  639   2HB   ALA  79          3HB       ALA  79  -8.953   7.830  -8.603
  640   3HB   ALA  79          2HB       ALA  79  -7.988   9.310  -8.677
  641    H    GLU  80           H        GLU  80 -10.187   6.927  -7.571
  642    HA   GLU  80           HA       GLU  80 -12.560   7.618  -8.785
  643   1HB   GLU  80          2HB       GLU  80 -12.256   5.290  -6.876
  644   2HB   GLU  80          1HB       GLU  80 -13.338   5.411  -8.262
  645   1HG   GLU  80          2HG       GLU  80 -10.625   5.947  -9.085
  646   2HG   GLU  80          1HG       GLU  80 -10.718   4.391  -8.261
  647    H    GLY  81           H        GLY  81 -12.349   6.765  -5.273
  648   1HA   GLY  81          2HA       GLY  81 -14.172   8.976  -4.653
  649   2HA   GLY  81          1HA       GLY  81 -14.948   7.396  -4.541
  650    H    ALA  82           H        ALA  82 -12.559   6.023  -3.576
  651    HA   ALA  82           HA       ALA  82 -12.879   5.989  -0.868
  652   1HB   ALA  82          1HB       ALA  82 -10.899   5.083  -2.651
  653   2HB   ALA  82          3HB       ALA  82 -10.036   5.944  -1.375
  654   3HB   ALA  82          2HB       ALA  82 -11.114   4.609  -0.967
  655    H    ASP  83           H        ASP  83 -11.794   6.977   0.940
  656    HA   ASP  83           HA       ASP  83 -10.930   9.786   0.395
  657   1HB   ASP  83          2HB       ASP  83 -12.622   8.535   2.468
  658   2HB   ASP  83          1HB       ASP  83 -11.421   9.663   3.098
  659    H    ILE  84           H        ILE  84  -8.995   8.037  -0.074
  660    HA   ILE  84           HA       ILE  84  -7.472   7.515   2.403
  661    HB   ILE  84           HB       ILE  84  -6.970   6.829  -0.506
  662   1HG1  ILE  84          2HG1      ILE  84  -7.266   4.704   1.488
  663   2HG1  ILE  84          1HG1      ILE  84  -8.707   5.706   1.311
  664   1HG2  ILE  84          3HG2      ILE  84  -4.865   7.157   0.846
  665   2HG2  ILE  84          2HG2      ILE  84  -5.444   5.903   1.944
  666   3HG2  ILE  84          1HG2      ILE  84  -5.085   5.507   0.261
  667   1HD1  ILE  84          3HD1      ILE  84  -7.926   5.351  -1.302
  668   2HD1  ILE  84          2HD1      ILE  84  -7.514   3.796  -0.579
  669   3HD1  ILE  84          1HD1      ILE  84  -9.168   4.404  -0.486
  670    H    THR  85           H        THR  85  -5.249   8.243   2.593
  671    HA   THR  85           HA       THR  85  -4.749  10.812   1.151
  672    HB   THR  85           HB       THR  85  -3.234  10.295   3.631
  673    HG1  THR  85           HG1      THR  85  -5.391  11.115   4.650
  674   1HG2  THR  85          1HG2      THR  85  -4.892  12.578   2.531
  675   2HG2  THR  85          3HG2      THR  85  -4.012  12.652   4.058
  676   3HG2  THR  85          2HG2      THR  85  -3.133  12.449   2.542
  677    H    ILE  86           H        ILE  86  -3.595   9.839  -0.571
  678    HA   ILE  86           HA       ILE  86  -1.451   7.954  -0.027
  679    HB   ILE  86           HB       ILE  86  -2.751   9.116  -2.406
  680   1HG1  ILE  86          2HG1      ILE  86  -2.700   6.859  -3.142
  681   2HG1  ILE  86          1HG1      ILE  86  -1.339   6.462  -2.095
  682   1HG2  ILE  86          2HG2      ILE  86   0.178   8.316  -2.471
  683   2HG2  ILE  86          1HG2      ILE  86  -0.834   8.525  -3.898
  684   3HG2  ILE  86          3HG2      ILE  86  -0.481   9.906  -2.860
  685   1HD1  ILE  86          2HD1      ILE  86  -3.550   7.461  -0.513
  686   2HD1  ILE  86          1HD1      ILE  86  -4.079   6.118  -1.523
  687   3HD1  ILE  86          3HD1      ILE  86  -2.730   5.901  -0.407
  688    H    ILE  87           H        ILE  87   0.332   8.642   0.965
  689    HA   ILE  87           HA       ILE  87   1.387  11.353   0.262
  690    HB   ILE  87           HB       ILE  87   2.329   9.710   2.603
  691   1HG1  ILE  87          2HG1      ILE  87  -0.092   9.740   2.828
  692   2HG1  ILE  87          1HG1      ILE  87   0.589  10.911   3.959
  693   1HG2  ILE  87          1HG2      ILE  87   3.512  11.806   1.882
  694   2HG2  ILE  87          3HG2      ILE  87   2.022  12.698   2.192
  695   3HG2  ILE  87          2HG2      ILE  87   2.861  11.894   3.519
  696   1HD1  ILE  87          3HD1      ILE  87   0.167  12.719   2.318
  697   2HD1  ILE  87          2HD1      ILE  87  -0.558  11.542   1.224
  698   3HD1  ILE  87          1HD1      ILE  87  -1.323  11.895   2.773
  699    H    LEU  88           H        LEU  88   3.385  11.511  -0.697
  700    HA   LEU  88           HA       LEU  88   5.033   9.024  -0.866
  701   1HB   LEU  88          2HB       LEU  88   4.118  10.852  -3.077
  702   2HB   LEU  88          1HB       LEU  88   5.623   9.945  -3.236
  703    HG   LEU  88           HG       LEU  88   3.203   8.457  -2.320
  704   1HD1  LEU  88          3HD1      LEU  88   2.921  10.061  -4.518
  705   2HD1  LEU  88          2HD1      LEU  88   3.556   8.588  -5.252
  706   3HD1  LEU  88          1HD1      LEU  88   2.074   8.530  -4.297
  707   1HD2  LEU  88          3HD2      LEU  88   5.812   7.822  -3.014
  708   2HD2  LEU  88          2HD2      LEU  88   4.477   6.675  -2.907
  709   3HD2  LEU  88          1HD2      LEU  88   4.902   7.391  -4.461
  710    H    SER  89           HN       SER  89   5.936  10.450   1.030
  711    HA   SER  89           HA       SER  89   8.377  11.685   0.060
  712   1HB   SER  89          2HB       SER  89   6.331  13.434   0.003
  713   2HB   SER  89          1HB       SER  89   6.790  13.603   1.699
  714    HG   SER  89           HG       SER  89   9.004  13.822   0.825
   
  No H/Q in entry =         714
  Start of MODEL    4
    1   1H    LYS   1          1H        LYS   1  -8.224   4.326   7.795
    2   2H    LYS   1          3H        LYS   1  -8.491   2.654   7.896
    3   3H    LYS   1          2H        LYS   1  -9.211   3.696   9.027
    4    HA   LYS   1           HA       LYS   1  -7.398   3.806  10.301
    5   1HB   LYS   1          2HB       LYS   1  -6.733   1.459   8.502
    6   2HB   LYS   1          1HB       LYS   1  -5.879   1.815  10.004
    7   1HG   LYS   1          2HG       LYS   1  -8.807   1.124   9.672
    8   2HG   LYS   1          1HG       LYS   1  -7.579   0.207  10.547
    9   1HD   LYS   1          2HD       LYS   1  -8.721   2.914  11.283
   10   2HD   LYS   1          1HD       LYS   1  -8.864   1.409  12.191
   11   1HE   LYS   1          2HE       LYS   1  -6.339   3.010  11.701
   12   2HE   LYS   1          1HE       LYS   1  -7.145   2.742  13.246
   13   1HZ   LYS   1          1HZ       LYS   1  -6.787   0.267  12.670
   14   2HZ   LYS   1          3HZ       LYS   1  -5.599   0.847  11.607
   15   3HZ   LYS   1          2HZ       LYS   1  -5.482   1.173  13.270
   16    H    LYS   2           H        LYS   2  -4.890   3.907  10.348
   17    HA   LYS   2           HA       LYS   2  -4.036   5.554   8.013
   18   1HB   LYS   2          2HB       LYS   2  -3.840   6.857   9.973
   19   2HB   LYS   2          1HB       LYS   2  -3.233   5.500  10.919
   20   1HG   LYS   2          2HG       LYS   2  -1.091   5.871  10.279
   21   2HG   LYS   2          1HG       LYS   2  -1.552   6.126   8.596
   22   1HD   LYS   2          2HD       LYS   2  -2.393   8.411   9.255
   23   2HD   LYS   2          1HD       LYS   2  -1.695   8.143  10.852
   24   1HE   LYS   2          2HE       LYS   2   0.248   7.495   8.819
   25   2HE   LYS   2          1HE       LYS   2  -0.372   9.124   8.555
   26   1HZ   LYS   2          1HZ       LYS   2   0.653   8.095  11.145
   27   2HZ   LYS   2          3HZ       LYS   2   1.532   9.075  10.075
   28   3HZ   LYS   2          2HZ       LYS   2   0.134   9.681  10.826
   29    H    ALA   3           H        ALA   3  -2.874   4.351   6.578
   30    HA   ALA   3           HA       ALA   3  -1.189   2.132   7.594
   31   1HB   ALA   3          3HB       ALA   3  -2.652   2.645   5.158
   32   2HB   ALA   3          2HB       ALA   3  -0.951   2.363   4.780
   33   3HB   ALA   3          1HB       ALA   3  -1.867   1.153   5.681
   34    H    VAL   4           H        VAL   4   1.038   2.250   7.550
   35    HA   VAL   4           HA       VAL   4   2.214   4.723   6.356
   36    HB   VAL   4           HB       VAL   4   2.866   3.364   8.985
   37   1HG1  VAL   4          1HG1      VAL   4   4.681   4.604   7.221
   38   2HG1  VAL   4          3HG1      VAL   4   4.337   5.804   8.467
   39   3HG1  VAL   4          2HG1      VAL   4   4.949   4.212   8.919
   40   1HG2  VAL   4          3HG2      VAL   4   1.134   5.471   8.278
   41   2HG2  VAL   4          2HG2      VAL   4   1.653   5.027   9.904
   42   3HG2  VAL   4          1HG2      VAL   4   2.547   6.244   8.994
   43    H    ILE   5           H        ILE   5   3.749   4.301   4.882
   44    HA   ILE   5           HA       ILE   5   4.778   1.538   4.630
   45    HB   ILE   5           HB       ILE   5   5.339   3.858   2.771
   46   1HG1  ILE   5          2HG1      ILE   5   2.819   3.405   3.367
   47   2HG1  ILE   5          1HG1      ILE   5   3.283   3.570   1.687
   48   1HG2  ILE   5          2HG2      ILE   5   5.806   0.969   2.799
   49   2HG2  ILE   5          1HG2      ILE   5   4.985   1.508   1.334
   50   3HG2  ILE   5          3HG2      ILE   5   6.534   2.218   1.787
   51   1HD1  ILE   5          2HD1      ILE   5   3.549   0.823   2.637
   52   2HD1  ILE   5          1HD1      ILE   5   1.901   1.433   2.780
   53   3HD1  ILE   5          3HD1      ILE   5   2.711   1.443   1.213
   54    H    ASN   6           H        ASN   6   6.483   1.223   5.966
   55    HA   ASN   6           HA       ASN   6   8.511   3.385   6.191
   56   1HB   ASN   6          2HB       ASN   6   8.655   0.910   7.853
   57   2HB   ASN   6          1HB       ASN   6   9.031   2.580   8.297
   58   1HD2  ASN   6          2HD2      ASN   6   5.762   1.510   9.883
   59   2HD2  ASN   6          1HD2      ASN   6   7.320   0.835   9.891
   60    H    GLY   7           H        GLY   7   9.606   3.004   4.246
   61   1HA   GLY   7          2HA       GLY   7  10.403   0.393   3.367
   62   2HA   GLY   7          1HA       GLY   7  11.057   1.921   2.763
   63    H    GLU   8           H        GLU   8  11.491   2.395   5.876
   64    HA   GLU   8           HA       GLU   8  14.287   1.688   5.807
   65   1HB   GLU   8          2HB       GLU   8  13.016   3.608   7.120
   66   2HB   GLU   8          1HB       GLU   8  12.904   2.371   8.372
   67   1HG   GLU   8          2HG       GLU   8  14.939   3.384   8.902
   68   2HG   GLU   8          1HG       GLU   8  15.467   2.045   7.883
   69    H    GLN   9           H        GLN   9  11.444   0.061   6.698
   70    HA   GLN   9           HA       GLN   9  13.034  -2.020   8.128
   71   1HB   GLN   9          2HB       GLN   9  11.089  -0.735   9.338
   72   2HB   GLN   9          1HB       GLN   9  10.050  -1.790   8.380
   73   1HG   GLN   9          2HG       GLN   9  11.205  -3.768   9.287
   74   2HG   GLN   9          1HG       GLN   9  12.260  -2.721  10.237
   75   1HE2  GLN   9          2HE2      GLN   9   9.146  -1.570  12.072
   76   2HE2  GLN   9          1HE2      GLN   9  10.181  -0.787  10.978
   77    H    ILE  10           H        ILE  10  10.954  -1.278   5.500
   78    HA   ILE  10           HA       ILE  10  10.122  -3.983   4.896
   79    HB   ILE  10           HB       ILE  10  10.348  -1.542   3.109
   80   1HG1  ILE  10          2HG1      ILE  10   8.769  -1.375   5.055
   81   2HG1  ILE  10          1HG1      ILE  10   7.955  -1.310   3.492
   82   1HG2  ILE  10          3HG2      ILE  10   9.640  -4.349   2.594
   83   2HG2  ILE  10          2HG2      ILE  10   8.413  -3.200   2.056
   84   3HG2  ILE  10          1HG2      ILE  10  10.067  -3.069   1.456
   85   1HD1  ILE  10          2HD1      ILE  10   7.996  -4.009   3.985
   86   2HD1  ILE  10          1HD1      ILE  10   7.800  -3.353   5.610
   87   3HD1  ILE  10          3HD1      ILE  10   6.636  -2.949   4.348
   88    H    ARG  11           H        ARG  11  11.873  -5.362   4.811
   89    HA   ARG  11           HA       ARG  11  14.415  -4.766   3.645
   90   1HB   ARG  11          2HB       ARG  11  13.518  -7.572   3.352
   91   2HB   ARG  11          1HB       ARG  11  14.966  -6.930   4.130
   92   1HG   ARG  11          2HG       ARG  11  13.432  -6.136   6.011
   93   2HG   ARG  11          1HG       ARG  11  12.181  -7.142   5.271
   94   1HD   ARG  11          2HD       ARG  11  13.447  -9.138   5.609
   95   2HD   ARG  11          1HD       ARG  11  14.909  -8.231   5.995
   96    HE   ARG  11           HE       ARG  11  14.145  -8.156   8.213
   97   1HH1  ARG  11          2HH1      ARG  11  12.079  -6.533   8.655
   98   2HH1  ARG  11          1HH1      ARG  11  10.628  -7.477   8.727
   99   1HH2  ARG  11          1HH2      ARG  11  12.030 -10.235   7.164
  100   2HH2  ARG  11          2HH2      ARG  11  10.601  -9.572   7.882
  101    H    SER  12           H        SER  12  11.537  -6.359   2.311
  102    HA   SER  12           HA       SER  12  12.408  -5.485  -0.391
  103   1HB   SER  12          2HB       SER  12  12.527  -7.590  -1.319
  104   2HB   SER  12          1HB       SER  12  13.048  -7.987   0.316
  105    HG   SER  12           HG       SER  12  11.316  -9.316  -0.562
  106    H    ILE  13           H        ILE  13  10.598  -5.834  -1.999
  107    HA   ILE  13           HA       ILE  13   8.230  -4.590  -1.300
  108    HB   ILE  13           HB       ILE  13   8.926  -5.166  -3.612
  109   1HG1  ILE  13          2HG1      ILE  13   6.475  -4.652  -2.858
  110   2HG1  ILE  13          1HG1      ILE  13   6.751  -5.285  -4.475
  111   1HG2  ILE  13          3HG2      ILE  13   8.103  -7.937  -2.732
  112   2HG2  ILE  13          2HG2      ILE  13   8.299  -7.478  -4.423
  113   3HG2  ILE  13          1HG2      ILE  13   9.680  -7.420  -3.328
  114   1HD1  ILE  13          2HD1      ILE  13   6.370  -7.615  -3.434
  115   2HD1  ILE  13          1HD1      ILE  13   5.712  -6.741  -2.055
  116   3HD1  ILE  13          3HD1      ILE  13   4.966  -6.578  -3.638
  117    H    SER  14           H        SER  14   9.041  -8.006  -0.902
  118    HA   SER  14           HA       SER  14   6.537  -9.101  -0.316
  119   1HB   SER  14          2HB       SER  14   9.280  -9.646   0.799
  120   2HB   SER  14          1HB       SER  14   7.879 -10.544   1.374
  121    HG   SER  14           HG       SER  14   9.276 -11.057  -0.744
  122    H    ASP  15           H        ASP  15   8.746  -7.523   2.036
  123    HA   ASP  15           HA       ASP  15   6.865  -7.688   4.201
  124   1HB   ASP  15          2HB       ASP  15   9.522  -6.575   3.711
  125   2HB   ASP  15          1HB       ASP  15   8.559  -5.582   4.798
  126    H    LEU  16           H        LEU  16   7.195  -5.560   1.545
  127    HA   LEU  16           HA       LEU  16   6.021  -3.179   2.595
  128   1HB   LEU  16          2HB       LEU  16   7.123  -3.303   0.377
  129   2HB   LEU  16          1HB       LEU  16   5.829  -4.342  -0.206
  130    HG   LEU  16           HG       LEU  16   4.559  -2.552  -0.717
  131   1HD1  LEU  16          3HD1      LEU  16   5.071  -1.709   2.136
  132   2HD1  LEU  16          2HD1      LEU  16   4.213  -0.656   1.015
  133   3HD1  LEU  16          1HD1      LEU  16   3.562  -2.246   1.397
  134   1HD2  LEU  16          3HD2      LEU  16   7.188  -1.654  -0.605
  135   2HD2  LEU  16          2HD2      LEU  16   5.844  -0.850  -1.418
  136   3HD2  LEU  16          1HD2      LEU  16   6.272  -0.404   0.235
  137    H    HIS  17           H        HIS  17   4.530  -5.777   0.683
  138    HA   HIS  17           HA       HIS  17   1.849  -4.913   1.129
  139   1HB   HIS  17          2HB       HIS  17   2.929  -7.657   0.438
  140   2HB   HIS  17          1HB       HIS  17   1.233  -7.171   0.303
  141    HD1  HIS  17           HD1      HIS  17   0.634  -6.387  -1.989
  142    HD2  HIS  17           HD2      HIS  17   4.628  -5.593  -1.115
  143    HE1  HIS  17           HE1      HIS  17   1.626  -5.299  -4.053
  144    H    GLN  18           H        GLN  18   4.085  -6.451   3.167
  145    HA   GLN  18           HA       GLN  18   2.082  -7.728   4.887
  146   1HB   GLN  18          2HB       GLN  18   5.036  -7.161   5.291
  147   2HB   GLN  18          1HB       GLN  18   4.031  -8.047   6.440
  148   1HG   GLN  18          2HG       GLN  18   3.478  -9.674   4.613
  149   2HG   GLN  18          1HG       GLN  18   4.634  -8.836   3.577
  150   1HE2  GLN  18          2HE2      GLN  18   6.787 -11.400   4.933
  151   2HE2  GLN  18          1HE2      GLN  18   5.716 -11.098   3.651
  152    H    THR  19           H        THR  19   3.848  -4.773   4.614
  153    HA   THR  19           HA       THR  19   3.109  -3.684   7.192
  154    HB   THR  19           HB       THR  19   4.365  -2.617   4.682
  155    HG1  THR  19           HG1      THR  19   5.028  -3.097   7.337
  156   1HG2  THR  19          1HG2      THR  19   2.772  -1.053   6.587
  157   2HG2  THR  19          3HG2      THR  19   4.425  -0.464   6.409
  158   3HG2  THR  19          2HG2      THR  19   3.382  -0.604   4.994
  159    H    LEU  20           H        LEU  20   1.797  -3.622   3.962
  160    HA   LEU  20           HA       LEU  20  -0.335  -1.729   4.678
  161   1HB   LEU  20          2HB       LEU  20  -0.666  -3.485   2.301
  162   2HB   LEU  20          1HB       LEU  20  -0.971  -1.755   2.467
  163    HG   LEU  20           HG       LEU  20   1.752  -3.039   2.323
  164   1HD1  LEU  20          2HD1      LEU  20   0.066  -2.719   0.238
  165   2HD1  LEU  20          1HD1      LEU  20   0.836  -1.132   0.263
  166   3HD1  LEU  20          3HD1      LEU  20   1.820  -2.586   0.093
  167   1HD2  LEU  20          1HD2      LEU  20   1.222  -0.777   3.622
  168   2HD2  LEU  20          3HD2      LEU  20   2.672  -0.938   2.629
  169   3HD2  LEU  20          2HD2      LEU  20   1.248  -0.121   1.984
  170    H    LYS  21           H        LYS  21   0.216  -5.149   4.503
  171    HA   LYS  21           HA       LYS  21  -2.576  -5.913   4.839
  172   1HB   LYS  21          2HB       LYS  21  -1.071  -7.509   3.815
  173   2HB   LYS  21          1HB       LYS  21   0.029  -7.426   5.192
  174   1HG   LYS  21          2HG       LYS  21  -1.285  -8.774   6.496
  175   2HG   LYS  21          1HG       LYS  21  -2.785  -8.149   5.809
  176   1HD   LYS  21          2HD       LYS  21  -2.673  -9.566   3.944
  177   2HD   LYS  21          1HD       LYS  21  -0.939  -9.832   4.130
  178   1HE   LYS  21          2HE       LYS  21  -3.116 -10.874   5.968
  179   2HE   LYS  21          1HE       LYS  21  -2.156 -11.832   4.840
  180   1HZ   LYS  21          1HZ       LYS  21  -0.317 -10.460   6.326
  181   2HZ   LYS  21          3HZ       LYS  21  -1.492 -10.918   7.460
  182   3HZ   LYS  21          2HZ       LYS  21  -0.731 -12.098   6.503
  183    H    LYS  22           H        LYS  22   0.044  -4.946   6.890
  184    HA   LYS  22           HA       LYS  22  -1.222  -6.010   9.329
  185   1HB   LYS  22          2HB       LYS  22   1.086  -6.082   9.583
  186   2HB   LYS  22          1HB       LYS  22   1.339  -4.608   8.652
  187   1HG   LYS  22          2HG       LYS  22   0.420  -3.273  10.516
  188   2HG   LYS  22          1HG       LYS  22   0.182  -4.749  11.454
  189   1HD   LYS  22          2HD       LYS  22   2.731  -5.144  10.985
  190   2HD   LYS  22          1HD       LYS  22   2.756  -3.410  10.662
  191   1HE   LYS  22          2HE       LYS  22   3.215  -3.485  12.956
  192   2HE   LYS  22          1HE       LYS  22   1.470  -3.233  12.937
  193   1HZ   LYS  22          2HZ       LYS  22   1.759  -5.939  12.778
  194   2HZ   LYS  22          1HZ       LYS  22   2.972  -5.478  13.874
  195   3HZ   LYS  22          3HZ       LYS  22   1.357  -5.059  14.175
  196    H    GLU  23           H        GLU  23  -0.729  -2.877   7.720
  197    HA   GLU  23           HA       GLU  23  -1.971  -1.368   9.865
  198   1HB   GLU  23          2HB       GLU  23  -1.318  -0.659   7.001
  199   2HB   GLU  23          1HB       GLU  23  -1.978   0.490   8.166
  200   1HG   GLU  23          2HG       GLU  23   0.484  -1.099   8.849
  201   2HG   GLU  23          1HG       GLU  23   0.616   0.356   7.860
  202    H    LEU  24           H        LEU  24  -3.004  -2.430   6.678
  203    HA   LEU  24           HA       LEU  24  -5.724  -1.440   7.070
  204   1HB   LEU  24          2HB       LEU  24  -4.839  -3.384   4.938
  205   2HB   LEU  24          1HB       LEU  24  -6.130  -2.184   4.864
  206    HG   LEU  24           HG       LEU  24  -3.268  -1.337   5.286
  207   1HD1  LEU  24          2HD1      LEU  24  -4.375  -2.583   2.929
  208   2HD1  LEU  24          1HD1      LEU  24  -3.929  -0.909   2.593
  209   3HD1  LEU  24          3HD1      LEU  24  -2.727  -2.032   3.231
  210   1HD2  LEU  24          3HD2      LEU  24  -5.857  -0.081   4.427
  211   2HD2  LEU  24          2HD2      LEU  24  -4.714   0.452   5.660
  212   3HD2  LEU  24          1HD2      LEU  24  -4.323   0.649   3.951
  213    H    ALA  25           H        ALA  25  -4.005  -4.443   7.555
  214    HA   ALA  25           HA       ALA  25  -4.725  -6.348   8.747
  215   1HB   ALA  25          3HB       ALA  25  -6.636  -4.392   9.438
  216   2HB   ALA  25          2HB       ALA  25  -7.560  -5.808   8.935
  217   3HB   ALA  25          1HB       ALA  25  -6.370  -5.946  10.229
  218    H    LEU  26           H        LEU  26  -4.474  -6.535   6.060
  219    HA   LEU  26           HA       LEU  26  -6.891  -7.406   4.718
  220   1HB   LEU  26          2HB       LEU  26  -4.015  -8.066   3.999
  221   2HB   LEU  26          1HB       LEU  26  -5.405  -8.035   2.915
  222    HG   LEU  26           HG       LEU  26  -4.364  -5.625   4.418
  223   1HD1  LEU  26          2HD1      LEU  26  -3.006  -6.704   2.423
  224   2HD1  LEU  26          1HD1      LEU  26  -4.262  -5.951   1.438
  225   3HD1  LEU  26          3HD1      LEU  26  -3.249  -4.959   2.488
  226   1HD2  LEU  26          3HD2      LEU  26  -6.880  -6.160   3.302
  227   2HD2  LEU  26          2HD2      LEU  26  -6.243  -4.572   3.731
  228   3HD2  LEU  26          1HD2      LEU  26  -6.054  -5.183   2.087
  229    HA   PRO  27           HA       PRO  27  -7.084 -11.583   6.009
  230   1HB   PRO  27          2HB       PRO  27  -7.635 -12.931   3.674
  231   2HB   PRO  27          1HB       PRO  27  -8.813 -11.920   4.536
  232   1HG   PRO  27          2HG       PRO  27  -7.306 -11.329   2.028
  233   2HG   PRO  27          1HG       PRO  27  -8.882 -10.719   2.560
  234   1HD   PRO  27          2HD       PRO  27  -6.441  -9.327   2.674
  235   2HD   PRO  27          1HD       PRO  27  -7.932  -8.865   3.521
  236    H    GLU  28           H        GLU  28  -6.346 -13.972   5.129
  237    HA   GLU  28           HA       GLU  28  -3.428 -13.860   5.145
  238   1HB   GLU  28          2HB       GLU  28  -4.597 -15.581   6.435
  239   2HB   GLU  28          1HB       GLU  28  -5.348 -16.200   4.962
  240   1HG   GLU  28          2HG       GLU  28  -3.533 -17.454   4.517
  241   2HG   GLU  28          1HG       GLU  28  -2.497 -16.029   4.583
  242    H    TYR  29           H        TYR  29  -5.940 -14.785   2.804
  243    HA   TYR  29           HA       TYR  29  -3.990 -15.683   0.841
  244   1HB   TYR  29          2HB       TYR  29  -6.030 -15.577  -0.707
  245   2HB   TYR  29          1HB       TYR  29  -6.133 -16.683   0.667
  246    HD1  TYR  29           HD2      TYR  29  -6.752 -13.037  -0.039
  247    HD2  TYR  29           HD1      TYR  29  -8.105 -16.639   1.879
  248    HE1  TYR  29           HE2      TYR  29  -8.787 -11.858   0.754
  249    HE2  TYR  29           HE1      TYR  29 -10.135 -15.456   2.672
  250    HH   TYR  29           HH       TYR  29 -11.473 -13.260   1.713
  251    H    TYR  30           H        TYR  30  -4.521 -12.675   1.972
  252    HA   TYR  30           HA       TYR  30  -5.025 -10.839   0.028
  253   1HB   TYR  30          2HB       TYR  30  -4.156 -10.194   2.221
  254   2HB   TYR  30          1HB       TYR  30  -2.576 -10.864   1.818
  255    HD1  TYR  30           HD1      TYR  30  -4.721  -9.057  -0.597
  256    HD2  TYR  30           HD2      TYR  30  -1.324  -8.817   2.023
  257    HE1  TYR  30           HE1      TYR  30  -4.077  -6.889  -1.624
  258    HE2  TYR  30           HE2      TYR  30  -0.676  -6.662   0.989
  259    HH   TYR  30           HH       TYR  30  -1.267  -5.605  -1.585
  260    H    GLY  31           H        GLY  31  -4.571 -11.015  -2.097
  261   1HA   GLY  31          2HA       GLY  31  -2.535 -12.512  -3.313
  262   2HA   GLY  31          1HA       GLY  31  -3.305 -11.118  -4.074
  263    H    GLU  32           H        GLU  32  -2.254  -9.500  -1.644
  264    HA   GLU  32           HA       GLU  32  -0.396  -8.127  -1.248
  265   1HB   GLU  32          2HB       GLU  32   1.192 -10.451  -2.374
  266   2HB   GLU  32          1HB       GLU  32   1.787  -9.173  -1.314
  267   1HG   GLU  32          2HG       GLU  32  -0.212 -10.044   0.232
  268   2HG   GLU  32          1HG       GLU  32   0.082 -11.535  -0.664
  269    H    ASN  33           H        ASN  33  -1.702  -7.467  -3.516
  270    HA   ASN  33           HA       ASN  33   0.434  -6.368  -5.171
  271   1HB   ASN  33          2HB       ASN  33  -0.819  -7.372  -7.277
  272   2HB   ASN  33          1HB       ASN  33   0.427  -8.309  -6.453
  273   1HD2  ASN  33          2HD2      ASN  33  -2.162 -10.802  -6.505
  274   2HD2  ASN  33          1HD2      ASN  33  -0.814 -10.235  -7.367
  275    H    LEU  34           H        LEU  34  -1.047  -5.523  -7.345
  276    HA   LEU  34           HA       LEU  34  -2.744  -3.509  -6.107
  277   1HB   LEU  34          2HB       LEU  34  -3.228  -2.971  -8.608
  278   2HB   LEU  34          1HB       LEU  34  -1.596  -2.706  -7.994
  279    HG   LEU  34           HG       LEU  34  -2.025  -5.442  -8.952
  280   1HD1  LEU  34          1HD1      LEU  34  -2.924  -3.185 -10.584
  281   2HD1  LEU  34          3HD1      LEU  34  -1.655  -4.124 -11.372
  282   3HD1  LEU  34          2HD1      LEU  34  -3.142  -4.916 -10.849
  283   1HD2  LEU  34          1HD2      LEU  34  -0.039  -3.209  -9.429
  284   2HD2  LEU  34          3HD2      LEU  34   0.187  -4.662  -8.457
  285   3HD2  LEU  34          2HD2      LEU  34   0.093  -4.782 -10.215
  286    H    ASP  35           H        ASP  35  -3.277  -6.668  -7.362
  287    HA   ASP  35           HA       ASP  35  -6.066  -6.220  -8.074
  288   1HB   ASP  35          2HB       ASP  35  -6.019  -8.821  -7.925
  289   2HB   ASP  35          1HB       ASP  35  -5.195  -8.026  -9.258
  290    H    ALA  36           H        ALA  36  -4.401  -7.982  -5.427
  291    HA   ALA  36           HA       ALA  36  -6.888  -8.360  -3.979
  292   1HB   ALA  36          3HB       ALA  36  -4.702  -9.766  -3.831
  293   2HB   ALA  36          2HB       ALA  36  -4.161  -8.511  -2.717
  294   3HB   ALA  36          1HB       ALA  36  -5.600  -9.462  -2.343
  295    H    LEU  37           H        LEU  37  -4.301  -6.044  -3.979
  296    HA   LEU  37           HA       LEU  37  -5.074  -4.672  -1.549
  297   1HB   LEU  37          2HB       LEU  37  -2.824  -4.449  -2.609
  298   2HB   LEU  37          1HB       LEU  37  -3.581  -3.593  -3.952
  299    HG   LEU  37           HG       LEU  37  -4.554  -2.325  -1.655
  300   1HD1  LEU  37          3HD1      LEU  37  -1.625  -3.043  -1.434
  301   2HD1  LEU  37          2HD1      LEU  37  -2.308  -1.633  -0.624
  302   3HD1  LEU  37          1HD1      LEU  37  -2.888  -3.248  -0.220
  303   1HD2  LEU  37          1HD2      LEU  37  -2.503  -1.686  -3.762
  304   2HD2  LEU  37          3HD2      LEU  37  -4.131  -1.046  -3.571
  305   3HD2  LEU  37          2HD2      LEU  37  -2.850  -0.525  -2.478
  306    H    TRP  38           H        TRP  38  -5.484  -3.870  -5.004
  307    HA   TRP  38           HA       TRP  38  -7.262  -1.687  -4.643
  308   1HB   TRP  38          2HB       TRP  38  -6.221  -2.277  -6.811
  309   2HB   TRP  38          1HB       TRP  38  -7.121  -3.784  -6.820
  310    HD1  TRP  38           HD1      TRP  38  -9.006  -3.731  -8.381
  311    HE1  TRP  38           HE1      TRP  38 -10.724  -2.014  -9.237
  312    HE3  TRP  38           HE3      TRP  38  -7.514   0.418  -5.774
  313    HZ2  TRP  38           HZ2      TRP  38 -11.364   0.740  -8.887
  314    HZ3  TRP  38           HZ3      TRP  38  -8.681   2.570  -6.087
  315    HH2  TRP  38           HH2      TRP  38 -10.611   2.737  -7.628
  316    H    ASP  39           H        ASP  39  -7.747  -5.139  -4.790
  317    HA   ASP  39           HA       ASP  39 -10.610  -5.120  -4.704
  318   1HB   ASP  39          2HB       ASP  39  -8.467  -7.101  -4.283
  319   2HB   ASP  39          1HB       ASP  39  -9.943  -7.415  -3.368
  320    H    ALA  40           H        ALA  40  -8.125  -4.844  -2.276
  321    HA   ALA  40           HA       ALA  40 -10.019  -5.045  -0.038
  322   1HB   ALA  40          1HB       ALA  40  -7.519  -5.673   0.039
  323   2HB   ALA  40          3HB       ALA  40  -7.210  -3.939   0.117
  324   3HB   ALA  40          2HB       ALA  40  -8.146  -4.726   1.388
  325    H    LEU  41           H        LEU  41  -7.739  -2.429  -0.849
  326    HA   LEU  41           HA       LEU  41  -8.824  -0.300   0.441
  327   1HB   LEU  41          2HB       LEU  41  -7.693  -0.465  -2.341
  328   2HB   LEU  41          1HB       LEU  41  -8.172   1.082  -1.644
  329    HG   LEU  41           HG       LEU  41  -6.397  -0.790  -0.107
  330   1HD1  LEU  41          2HD1      LEU  41  -5.533   1.221  -2.206
  331   2HD1  LEU  41          1HD1      LEU  41  -4.443   0.463  -1.034
  332   3HD1  LEU  41          3HD1      LEU  41  -5.271  -0.524  -2.242
  333   1HD2  LEU  41          3HD2      LEU  41  -7.579   1.395   0.736
  334   2HD2  LEU  41          2HD2      LEU  41  -5.908   1.062   1.183
  335   3HD2  LEU  41          1HD2      LEU  41  -6.262   2.197  -0.120
  336    H    THR  42           H        THR  42 -10.008  -1.633  -2.561
  337    HA   THR  42           HA       THR  42 -12.267   0.236  -2.666
  338    HB   THR  42           HB       THR  42 -12.913  -0.917  -4.671
  339    HG1  THR  42           HG1      THR  42 -11.948  -2.905  -5.202
  340   1HG2  THR  42          2HG2      THR  42  -9.933  -0.660  -4.290
  341   2HG2  THR  42          1HG2      THR  42 -10.626  -1.117  -5.845
  342   3HG2  THR  42          3HG2      THR  42 -11.031   0.440  -5.122
  343    H    GLY  43           H        GLY  43 -12.234  -1.208  -0.186
  344   1HA   GLY  43          2HA       GLY  43 -14.628  -1.808   0.612
  345   2HA   GLY  43          1HA       GLY  43 -14.475  -3.140  -0.537
  346    H    TRP  44           H        TRP  44 -12.181  -1.787   1.912
  347    HA   TRP  44           HA       TRP  44 -12.426  -4.044   3.674
  348   1HB   TRP  44          2HB       TRP  44 -11.370  -5.272   1.821
  349   2HB   TRP  44          1HB       TRP  44 -10.058  -4.094   1.778
  350    HD1  TRP  44           HD1      TRP  44  -8.880  -3.780   4.397
  351    HE1  TRP  44           HE1      TRP  44  -8.074  -5.693   5.925
  352    HE3  TRP  44           HE3      TRP  44 -11.534  -7.662   2.420
  353    HZ2  TRP  44           HZ2      TRP  44  -8.501  -8.501   6.263
  354    HZ3  TRP  44           HZ3      TRP  44 -11.319  -9.944   3.361
  355    HH2  TRP  44           HH2      TRP  44  -9.806 -10.369   5.278
  356    H    VAL  45           H        VAL  45  -9.662  -2.247   2.393
  357    HA   VAL  45           HA       VAL  45  -8.220  -1.675   4.625
  358    HB   VAL  45           HB       VAL  45  -8.905  -0.114   2.191
  359   1HG1  VAL  45          2HG1      VAL  45  -7.372   0.995   4.537
  360   2HG1  VAL  45          1HG1      VAL  45  -7.270   1.647   2.902
  361   3HG1  VAL  45          3HG1      VAL  45  -8.807   1.672   3.764
  362   1HG2  VAL  45          3HG2      VAL  45  -6.767  -1.800   3.183
  363   2HG2  VAL  45          2HG2      VAL  45  -7.105  -1.289   1.532
  364   3HG2  VAL  45          1HG2      VAL  45  -6.138  -0.263   2.592
  365    H    GLU  46           H        GLU  46 -11.343  -0.340   3.863
  366    HA   GLU  46           HA       GLU  46 -12.848   0.822   5.253
  367   1HB   GLU  46          2HB       GLU  46 -11.477  -0.623   7.022
  368   2HB   GLU  46          1HB       GLU  46 -10.841   0.961   7.463
  369   1HG   GLU  46          2HG       GLU  46 -12.862   0.382   8.786
  370   2HG   GLU  46          1HG       GLU  46 -13.122   1.812   7.785
  371    H    TYR  47           H        TYR  47 -13.177   2.969   5.020
  372    HA   TYR  47           HA       TYR  47 -10.786   4.770   5.076
  373   1HB   TYR  47          2HB       TYR  47 -13.301   4.924   3.383
  374   2HB   TYR  47          1HB       TYR  47 -11.997   6.112   3.357
  375    HD1  TYR  47           HD2      TYR  47  -9.617   4.290   3.652
  376    HD2  TYR  47           HD1      TYR  47 -13.156   3.955   1.226
  377    HE1  TYR  47           HE2      TYR  47  -8.375   2.882   2.026
  378    HE2  TYR  47           HE1      TYR  47 -11.905   2.551  -0.391
  379    HH   TYR  47           HH       TYR  47  -9.579   2.176  -1.064
  380    HA   PRO  48           HA       PRO  48 -11.076   7.186   4.404
  381   1HB   PRO  48          2HB       PRO  48  -9.966   9.139   5.985
  382   2HB   PRO  48          1HB       PRO  48 -11.466   9.344   5.059
  383   1HG   PRO  48          2HG       PRO  48 -11.110   8.897   7.995
  384   2HG   PRO  48          1HG       PRO  48 -12.391   9.773   7.139
  385   1HD   PRO  48          2HD       PRO  48 -12.643   7.184   8.185
  386   2HD   PRO  48          1HD       PRO  48 -13.699   7.891   6.940
  387    H    LEU  49           H        LEU  49  -8.908   6.745   4.061
  388    HA   LEU  49           HA       LEU  49  -7.437   5.518   6.359
  389   1HB   LEU  49          2HB       LEU  49  -7.776   3.735   4.899
  390   2HB   LEU  49          1HB       LEU  49  -7.733   4.764   3.473
  391    HG   LEU  49           HG       LEU  49  -5.211   5.101   4.073
  392   1HD1  LEU  49          2HD1      LEU  49  -6.105   3.158   6.062
  393   2HD1  LEU  49          1HD1      LEU  49  -4.771   2.539   5.092
  394   3HD1  LEU  49          3HD1      LEU  49  -4.587   4.047   5.982
  395   1HD2  LEU  49          3HD2      LEU  49  -6.610   3.306   2.456
  396   2HD2  LEU  49          2HD2      LEU  49  -4.906   3.738   2.324
  397   3HD2  LEU  49          1HD2      LEU  49  -5.393   2.331   3.272
  398    H    VAL  50           H        VAL  50  -5.046   5.800   6.240
  399    HA   VAL  50           HA       VAL  50  -4.265   8.240   4.699
  400    HB   VAL  50           HB       VAL  50  -4.038   7.634   7.597
  401   1HG1  VAL  50          3HG1      VAL  50  -1.704   8.583   5.958
  402   2HG1  VAL  50          2HG1      VAL  50  -1.956   9.255   7.569
  403   3HG1  VAL  50          1HG1      VAL  50  -1.717   7.520   7.365
  404   1HG2  VAL  50          3HG2      VAL  50  -5.308   9.518   6.325
  405   2HG2  VAL  50          2HG2      VAL  50  -4.428   9.939   7.794
  406   3HG2  VAL  50          1HG2      VAL  50  -3.724  10.285   6.214
  407    H    LEU  51           H        LEU  51  -3.068   7.260   3.061
  408    HA   LEU  51           HA       LEU  51  -1.259   5.027   3.710
  409   1HB   LEU  51          2HB       LEU  51  -2.519   5.187   1.518
  410   2HB   LEU  51          1HB       LEU  51  -1.492   6.567   1.112
  411    HG   LEU  51           HG       LEU  51   0.493   4.971   1.598
  412   1HD1  LEU  51          1HD1      LEU  51  -1.843   3.128   1.600
  413   2HD1  LEU  51          3HD1      LEU  51  -0.347   2.573   0.832
  414   3HD1  LEU  51          2HD1      LEU  51  -0.347   3.048   2.542
  415   1HD2  LEU  51          1HD2      LEU  51  -1.359   4.743  -0.761
  416   2HD2  LEU  51          3HD2      LEU  51   0.134   5.679  -0.631
  417   3HD2  LEU  51          2HD2      LEU  51   0.199   3.917  -0.710
  418    H    GLU  52           H        GLU  52  -0.166   6.674   5.304
  419    HA   GLU  52           HA       GLU  52   1.482   8.765   4.210
  420   1HB   GLU  52          2HB       GLU  52   0.981   8.721   6.593
  421   2HB   GLU  52          1HB       GLU  52   1.750   7.143   6.760
  422   1HG   GLU  52          2HG       GLU  52   3.463   8.563   7.460
  423   2HG   GLU  52          1HG       GLU  52   3.843   8.379   5.747
  424    H    TRP  53           H        TRP  53   2.472   7.725   2.332
  425    HA   TRP  53           HA       TRP  53   4.165   5.389   2.758
  426   1HB   TRP  53          2HB       TRP  53   2.907   6.126   0.574
  427   2HB   TRP  53          1HB       TRP  53   4.359   7.094   0.300
  428    HD1  TRP  53           HD1      TRP  53   6.707   5.452   1.009
  429    HE1  TRP  53           HE1      TRP  53   7.223   3.127   0.019
  430    HE3  TRP  53           HE3      TRP  53   2.056   4.158  -0.629
  431    HZ2  TRP  53           HZ2      TRP  53   5.826   1.007  -1.298
  432    HZ3  TRP  53           HZ3      TRP  53   1.668   1.989  -1.746
  433    HH2  TRP  53           HH2      TRP  53   3.552   0.402  -2.083
  434    H    ARG  54           H        ARG  54   6.090   5.666   3.816
  435    HA   ARG  54           HA       ARG  54   7.462   8.204   3.955
  436   1HB   ARG  54          2HB       ARG  54   8.514   5.410   4.512
  437   2HB   ARG  54          1HB       ARG  54   9.268   6.919   5.031
  438   1HG   ARG  54          2HG       ARG  54   6.748   7.273   5.993
  439   2HG   ARG  54          1HG       ARG  54   6.899   5.520   6.125
  440   1HD   ARG  54          2HD       ARG  54   7.948   5.978   8.090
  441   2HD   ARG  54          1HD       ARG  54   9.337   6.342   7.066
  442    HE   ARG  54           HE       ARG  54   9.078   8.597   7.679
  443   1HH1  ARG  54          2HH1      ARG  54   6.267   6.759   8.417
  444   2HH1  ARG  54          1HH1      ARG  54   5.339   8.128   8.928
  445   1HH2  ARG  54          1HH2      ARG  54   7.823  10.428   8.179
  446   2HH2  ARG  54          2HH2      ARG  54   6.219  10.204   8.793
  447    H    GLN  55           H        GLN  55  10.160   6.865   3.412
  448    HA   GLN  55           HA       GLN  55  10.812   7.890   0.957
  449   1HB   GLN  55          2HB       GLN  55  12.693   6.434   0.885
  450   2HB   GLN  55          1HB       GLN  55  12.344   6.667   2.594
  451   1HG   GLN  55          2HG       GLN  55  11.801   4.240   0.882
  452   2HG   GLN  55          1HG       GLN  55  12.696   4.339   2.394
  453   1HE2  GLN  55          2HE2      GLN  55   8.871   3.347   2.607
  454   2HE2  GLN  55          1HE2      GLN  55   9.864   3.143   1.248
  455    H    PHE  56           H        PHE  56   9.190   7.738  -0.617
  456    HA   PHE  56           HA       PHE  56   7.977   5.211  -1.354
  457   1HB   PHE  56          2HB       PHE  56   6.895   7.433  -1.721
  458   2HB   PHE  56          1HB       PHE  56   8.114   7.792  -2.943
  459    HD1  PHE  56           HD2      PHE  56   6.371   4.566  -2.208
  460    HD2  PHE  56           HD1      PHE  56   6.947   7.786  -4.993
  461    HE1  PHE  56           HE2      PHE  56   5.035   3.347  -3.895
  462    HE2  PHE  56           HE1      PHE  56   5.611   6.566  -6.679
  463    HZ   PHE  56           HZ       PHE  56   4.652   4.346  -6.134
  464    H    GLU  57           H        GLU  57  10.543   7.237  -2.783
  465    HA   GLU  57           HA       GLU  57  11.066   5.916  -5.155
  466   1HB   GLU  57          2HB       GLU  57  12.670   7.441  -3.228
  467   2HB   GLU  57          1HB       GLU  57  13.620   6.294  -4.173
  468   1HG   GLU  57          2HG       GLU  57  12.405   7.224  -6.232
  469   2HG   GLU  57          1HG       GLU  57  11.867   8.537  -5.185
  470    H    GLN  58           H        GLN  58  13.303   5.139  -2.517
  471    HA   GLN  58           HA       GLN  58  14.081   2.637  -3.410
  472   1HB   GLN  58          2HB       GLN  58  14.143   2.111  -0.783
  473   2HB   GLN  58          1HB       GLN  58  15.287   3.221  -1.537
  474   1HG   GLN  58          2HG       GLN  58  12.734   4.467  -0.754
  475   2HG   GLN  58          1HG       GLN  58  13.689   3.859   0.598
  476   1HE2  GLN  58          2HE2      GLN  58  15.572   6.839   0.465
  477   2HE2  GLN  58          1HE2      GLN  58  14.610   5.797   1.399
  478    H    SER  59           H        SER  59  13.479   0.451  -2.410
  479    HA   SER  59           HA       SER  59  11.866  -1.158  -1.749
  480   1HB   SER  59          2HB       SER  59  10.738   1.054  -0.677
  481   2HB   SER  59          1HB       SER  59   9.564   0.712  -1.949
  482    HG   SER  59           HG       SER  59  10.514  -1.116   0.013
  483    H    LYS  60           H        LYS  60  10.983   1.246  -4.206
  484    HA   LYS  60           HA       LYS  60   9.413  -0.698  -5.732
  485   1HB   LYS  60          2HB       LYS  60  10.332   2.129  -6.224
  486   2HB   LYS  60          1HB       LYS  60   9.452   1.198  -7.439
  487   1HG   LYS  60          2HG       LYS  60   7.580   0.890  -5.901
  488   2HG   LYS  60          1HG       LYS  60   8.467   1.719  -4.620
  489   1HD   LYS  60          2HD       LYS  60   7.660   2.963  -7.266
  490   2HD   LYS  60          1HD       LYS  60   6.840   3.225  -5.728
  491   1HE   LYS  60          2HE       LYS  60   8.325   4.819  -5.175
  492   2HE   LYS  60          1HE       LYS  60   9.650   3.670  -5.361
  493   1HZ   LYS  60          2HZ       LYS  60   9.619   4.110  -7.753
  494   2HZ   LYS  60          1HZ       LYS  60   8.399   5.271  -7.526
  495   3HZ   LYS  60          3HZ       LYS  60   9.937   5.519  -6.857
  496    H    GLN  61           H        GLN  61  12.748   0.296  -5.593
  497    HA   GLN  61           HA       GLN  61  13.394  -0.459  -8.331
  498   1HB   GLN  61          2HB       GLN  61  14.670   1.036  -6.446
  499   2HB   GLN  61          1HB       GLN  61  15.557  -0.483  -6.323
  500   1HG   GLN  61          2HG       GLN  61  15.632  -0.373  -8.929
  501   2HG   GLN  61          1HG       GLN  61  15.258   1.335  -8.702
  502   1HE2  GLN  61          2HE2      GLN  61  18.811  -0.015  -7.106
  503   2HE2  GLN  61          1HE2      GLN  61  17.465  -1.050  -7.108
  504    H    LEU  62           H        LEU  62  14.633  -1.790  -5.352
  505    HA   LEU  62           HA       LEU  62  15.702  -4.158  -6.045
  506   1HB   LEU  62          2HB       LEU  62  13.888  -4.827  -3.910
  507   2HB   LEU  62          1HB       LEU  62  15.632  -4.592  -3.840
  508    HG   LEU  62           HG       LEU  62  15.247  -2.124  -3.677
  509   1HD1  LEU  62          1HD1      LEU  62  12.734  -2.707  -4.615
  510   2HD1  LEU  62          3HD1      LEU  62  12.425  -2.494  -2.898
  511   3HD1  LEU  62          2HD1      LEU  62  13.169  -1.194  -3.829
  512   1HD2  LEU  62          1HD2      LEU  62  14.125  -4.039  -1.649
  513   2HD2  LEU  62          3HD2      LEU  62  15.617  -3.099  -1.584
  514   3HD2  LEU  62          2HD2      LEU  62  14.059  -2.301  -1.357
  515    H    THR  63           H        THR  63  12.277  -3.499  -6.172
  516    HA   THR  63           HA       THR  63  11.768  -6.270  -7.121
  517    HB   THR  63           HB       THR  63  10.320  -5.199  -5.318
  518    HG1  THR  63           HG1      THR  63   9.737  -6.830  -7.156
  519   1HG2  THR  63          1HG2      THR  63  10.303  -2.967  -6.586
  520   2HG2  THR  63          3HG2      THR  63   9.068  -3.698  -7.607
  521   3HG2  THR  63          2HG2      THR  63   8.777  -3.504  -5.882
  522    H    GLU  64           H        GLU  64   9.352  -5.230  -8.594
  523    HA   GLU  64           HA       GLU  64  10.809  -4.082 -10.939
  524   1HB   GLU  64          2HB       GLU  64   9.041  -5.249 -12.323
  525   2HB   GLU  64          1HB       GLU  64  10.132  -6.342 -11.469
  526   1HG   GLU  64          2HG       GLU  64   8.495  -6.711  -9.721
  527   2HG   GLU  64          1HG       GLU  64   7.429  -5.480 -10.402
  528    H    ASN  65           H        ASN  65   7.878  -4.073  -8.995
  529    HA   ASN  65           HA       ASN  65   7.340  -1.318  -9.357
  530   1HB   ASN  65          2HB       ASN  65   6.492  -2.997 -11.569
  531   2HB   ASN  65          1HB       ASN  65   5.104  -2.226 -10.802
  532   1HD2  ASN  65          2HD2      ASN  65   7.263  -0.016 -13.266
  533   2HD2  ASN  65          1HD2      ASN  65   7.171  -1.710 -13.290
  534    H    GLY  66           H        GLY  66   7.242  -3.447  -7.367
  535   1HA   GLY  66          2HA       GLY  66   4.473  -4.055  -6.772
  536   2HA   GLY  66          1HA       GLY  66   5.841  -4.273  -5.675
  537    H    ALA  67           H        ALA  67   6.827  -1.944  -5.072
  538    HA   ALA  67           HA       ALA  67   4.932  -0.657  -3.410
  539   1HB   ALA  67          2HB       ALA  67   7.689  -0.144  -4.287
  540   2HB   ALA  67          1HB       ALA  67   6.785   1.320  -3.898
  541   3HB   ALA  67          3HB       ALA  67   6.962   0.047  -2.692
  542    H    GLU  68           H        GLU  68   6.019   0.223  -6.694
  543    HA   GLU  68           HA       GLU  68   4.475   2.623  -6.821
  544   1HB   GLU  68          2HB       GLU  68   6.395   1.540  -8.396
  545   2HB   GLU  68          1HB       GLU  68   4.959   1.155  -9.345
  546   1HG   GLU  68          2HG       GLU  68   5.593   3.920  -8.279
  547   2HG   GLU  68          1HG       GLU  68   5.963   3.384  -9.918
  548    H    SER  69           H        SER  69   3.660  -0.724  -7.184
  549    HA   SER  69           HA       SER  69   1.198  -0.189  -8.675
  550   1HB   SER  69          2HB       SER  69   1.601  -2.354  -9.194
  551   2HB   SER  69          1HB       SER  69   2.739  -2.526  -7.862
  552    HG   SER  69           HG       SER  69   1.231  -3.550  -6.838
  553    H    VAL  70           H        VAL  70   1.828  -1.471  -5.363
  554    HA   VAL  70           HA       VAL  70  -0.802  -1.424  -4.455
  555    HB   VAL  70           HB       VAL  70   1.711  -0.632  -2.946
  556   1HG1  VAL  70          3HG1      VAL  70  -1.024  -0.308  -2.225
  557   2HG1  VAL  70          2HG1      VAL  70  -0.392  -1.646  -1.272
  558   3HG1  VAL  70          1HG1      VAL  70   0.395  -0.067  -1.205
  559   1HG2  VAL  70          1HG2      VAL  70   1.559  -2.990  -3.864
  560   2HG2  VAL  70          3HG2      VAL  70   1.669  -2.910  -2.105
  561   3HG2  VAL  70          2HG2      VAL  70   0.114  -3.217  -2.878
  562    H    LEU  71           H        LEU  71   1.444   1.105  -5.158
  563    HA   LEU  71           HA       LEU  71  -0.138   3.112  -3.822
  564   1HB   LEU  71          2HB       LEU  71   2.390   3.222  -4.200
  565   2HB   LEU  71          1HB       LEU  71   2.007   3.646  -5.871
  566    HG   LEU  71           HG       LEU  71   0.832   5.612  -5.206
  567   1HD1  LEU  71          1HD1      LEU  71   0.769   4.219  -2.585
  568   2HD1  LEU  71          3HD1      LEU  71   0.901   5.981  -2.530
  569   3HD1  LEU  71          2HD1      LEU  71  -0.465   5.223  -3.360
  570   1HD2  LEU  71          3HD2      LEU  71   3.369   5.219  -3.612
  571   2HD2  LEU  71          2HD2      LEU  71   3.196   5.988  -5.189
  572   3HD2  LEU  71          1HD2      LEU  71   2.557   6.778  -3.748
  573    H    GLN  72           H        GLN  72   0.392   2.116  -7.217
  574    HA   GLN  72           HA       GLN  72  -1.210   4.127  -8.403
  575   1HB   GLN  72          2HB       GLN  72  -0.455   1.336  -9.124
  576   2HB   GLN  72          1HB       GLN  72  -1.833   2.032  -9.977
  577   1HG   GLN  72          2HG       GLN  72  -0.406   4.032 -10.513
  578   2HG   GLN  72          1HG       GLN  72   0.969   3.173  -9.818
  579   1HE2  GLN  72          2HE2      GLN  72   1.012   0.697 -12.481
  580   2HE2  GLN  72          1HE2      GLN  72   1.219   0.812 -10.800
  581    H    VAL  73           H        VAL  73  -2.024   1.332  -6.551
  582    HA   VAL  73           HA       VAL  73  -4.886   1.475  -7.164
  583    HB   VAL  73           HB       VAL  73  -3.330  -0.213  -5.192
  584   1HG1  VAL  73          1HG1      VAL  73  -5.794   0.249  -4.670
  585   2HG1  VAL  73          3HG1      VAL  73  -6.152  -0.609  -6.167
  586   3HG1  VAL  73          2HG1      VAL  73  -5.337  -1.447  -4.849
  587   1HG2  VAL  73          1HG2      VAL  73  -3.545  -0.276  -7.989
  588   2HG2  VAL  73          3HG2      VAL  73  -2.954  -1.577  -6.953
  589   3HG2  VAL  73          2HG2      VAL  73  -4.659  -1.524  -7.421
  590    H    PHE  74           H        PHE  74  -2.810   2.199  -4.343
  591    HA   PHE  74           HA       PHE  74  -4.817   2.906  -2.533
  592   1HB   PHE  74          2HB       PHE  74  -1.945   3.521  -2.921
  593   2HB   PHE  74          1HB       PHE  74  -2.842   4.680  -1.962
  594    HD1  PHE  74           HD2      PHE  74  -4.534   3.551  -0.186
  595    HD2  PHE  74           HD1      PHE  74  -1.005   1.716  -1.813
  596    HE1  PHE  74           HE2      PHE  74  -4.462   1.956   1.702
  597    HE2  PHE  74           HE1      PHE  74  -0.956   0.135   0.096
  598    HZ   PHE  74           HZ       PHE  74  -2.702   0.263   1.832
  599    H    ARG  75           H        ARG  75  -2.927   4.957  -4.711
  600    HA   ARG  75           HA       ARG  75  -4.518   7.307  -4.423
  601   1HB   ARG  75          2HB       ARG  75  -2.371   6.359  -6.208
  602   2HB   ARG  75          1HB       ARG  75  -3.480   7.509  -6.960
  603   1HG   ARG  75          2HG       ARG  75  -3.039   9.174  -5.328
  604   2HG   ARG  75          1HG       ARG  75  -2.283   8.013  -4.234
  605   1HD   ARG  75          2HD       ARG  75  -0.545   9.338  -5.319
  606   2HD   ARG  75          1HD       ARG  75  -0.464   7.679  -5.911
  607    HE   ARG  75           HE       ARG  75  -1.677   9.936  -7.454
  608   1HH1  ARG  75          1HH2      ARG  75  -2.689   7.848  -8.883
  609   2HH1  ARG  75          2HH2      ARG  75  -1.400   7.196  -9.839
  610   1HH2  ARG  75          2HH1      ARG  75   1.104   8.679  -7.952
  611   2HH2  ARG  75          1HH1      ARG  75   0.748   7.666  -9.312
  612    H    GLU  76           H        GLU  76  -4.701   4.555  -6.750
  613    HA   GLU  76           HA       GLU  76  -6.701   5.657  -8.438
  614   1HB   GLU  76          2HB       GLU  76  -5.785   2.946  -7.712
  615   2HB   GLU  76          1HB       GLU  76  -7.437   3.038  -8.321
  616   1HG   GLU  76          2HG       GLU  76  -6.769   3.917 -10.378
  617   2HG   GLU  76          1HG       GLU  76  -5.221   4.476  -9.743
  618    H    ALA  77           H        ALA  77  -6.915   4.341  -5.208
  619    HA   ALA  77           HA       ALA  77  -9.838   4.179  -5.221
  620   1HB   ALA  77          1HB       ALA  77  -7.861   3.040  -3.674
  621   2HB   ALA  77          3HB       ALA  77  -8.444   4.330  -2.626
  622   3HB   ALA  77          2HB       ALA  77  -9.566   3.111  -3.221
  623    H    LYS  78           H        LYS  78  -7.421   6.297  -3.612
  624    HA   LYS  78           HA       LYS  78  -9.343   8.121  -2.567
  625   1HB   LYS  78          2HB       LYS  78  -7.489   9.453  -2.024
  626   2HB   LYS  78          1HB       LYS  78  -6.813   7.831  -2.038
  627   1HG   LYS  78          2HG       LYS  78  -5.261   8.718  -3.439
  628   2HG   LYS  78          1HG       LYS  78  -6.523   8.575  -4.663
  629   1HD   LYS  78          2HD       LYS  78  -5.832  10.831  -4.820
  630   2HD   LYS  78          1HD       LYS  78  -7.305  10.901  -3.852
  631   1HE   LYS  78          2HE       LYS  78  -6.145  11.881  -2.193
  632   2HE   LYS  78          1HE       LYS  78  -5.149  10.432  -2.058
  633   1HZ   LYS  78          1HZ       LYS  78  -4.647  12.534  -4.083
  634   2HZ   LYS  78          3HZ       LYS  78  -3.936  12.561  -2.543
  635   3HZ   LYS  78          2HZ       LYS  78  -3.612  11.274  -3.604
  636    H    ALA  79           H        ALA  79  -8.365   7.482  -5.750
  637    HA   ALA  79           HA       ALA  79  -8.904  10.191  -6.787
  638   1HB   ALA  79          1HB       ALA  79  -7.274   8.179  -7.659
  639   2HB   ALA  79          3HB       ALA  79  -8.709   7.889  -8.646
  640   3HB   ALA  79          2HB       ALA  79  -7.892   9.456  -8.707
  641    H    GLU  80           H        GLU  80 -10.043   6.980  -7.736
  642    HA   GLU  80           HA       GLU  80 -12.374   7.768  -9.046
  643   1HB   GLU  80          2HB       GLU  80 -12.065   5.235  -7.419
  644   2HB   GLU  80          1HB       GLU  80 -13.088   5.488  -8.831
  645   1HG   GLU  80          2HG       GLU  80 -10.330   6.196  -9.400
  646   2HG   GLU  80          1HG       GLU  80 -10.470   4.523  -8.856
  647    H    GLY  81           H        GLY  81 -12.320   6.445  -5.685
  648   1HA   GLY  81          2HA       GLY  81 -14.281   8.496  -4.896
  649   2HA   GLY  81          1HA       GLY  81 -14.926   6.853  -4.948
  650    H    ALA  82           H        ALA  82 -12.446   5.592  -4.048
  651    HA   ALA  82           HA       ALA  82 -12.804   5.280  -1.362
  652   1HB   ALA  82          1HB       ALA  82 -10.804   4.597  -3.144
  653   2HB   ALA  82          3HB       ALA  82  -9.946   5.563  -1.942
  654   3HB   ALA  82          2HB       ALA  82 -10.858   4.137  -1.443
  655    H    ASP  83           H        ASP  83 -12.005   6.255   0.565
  656    HA   ASP  83           HA       ASP  83 -11.348   9.151   0.256
  657   1HB   ASP  83          2HB       ASP  83 -12.936   7.577   2.199
  658   2HB   ASP  83          1HB       ASP  83 -11.917   8.829   2.909
  659    H    ILE  84           H        ILE  84  -9.173   7.832  -0.263
  660    HA   ILE  84           HA       ILE  84  -7.701   7.398   2.293
  661    HB   ILE  84           HB       ILE  84  -7.086   6.524  -0.540
  662   1HG1  ILE  84          2HG1      ILE  84  -7.558   4.634   1.676
  663   2HG1  ILE  84          1HG1      ILE  84  -8.963   5.529   1.109
  664   1HG2  ILE  84          1HG2      ILE  84  -5.173   6.997   1.260
  665   2HG2  ILE  84          3HG2      ILE  84  -5.718   5.445   1.896
  666   3HG2  ILE  84          2HG2      ILE  84  -5.116   5.558   0.238
  667   1HD1  ILE  84          1HD1      ILE  84  -7.382   4.617  -1.124
  668   2HD1  ILE  84          3HD1      ILE  84  -7.808   3.262  -0.080
  669   3HD1  ILE  84          2HD1      ILE  84  -9.074   4.291  -0.752
  670    H    THR  85           H        THR  85  -5.691   8.434   2.599
  671    HA   THR  85           HA       THR  85  -5.204  10.775   0.815
  672    HB   THR  85           HB       THR  85  -4.146  10.464   3.631
  673    HG1  THR  85           HG1      THR  85  -6.252  10.435   4.037
  674   1HG2  THR  85          1HG2      THR  85  -4.036  12.452   1.527
  675   2HG2  THR  85          3HG2      THR  85  -4.768  13.128   2.984
  676   3HG2  THR  85          2HG2      THR  85  -3.161  12.404   3.057
  677    H    ILE  86           H        ILE  86  -3.752   9.920  -0.650
  678    HA   ILE  86           HA       ILE  86  -1.626   8.134   0.253
  679    HB   ILE  86           HB       ILE  86  -2.751   9.023  -2.317
  680   1HG1  ILE  86          2HG1      ILE  86  -2.453   6.725  -2.874
  681   2HG1  ILE  86          1HG1      ILE  86  -1.210   6.511  -1.644
  682   1HG2  ILE  86          2HG2      ILE  86   0.228   8.629  -1.976
  683   2HG2  ILE  86          1HG2      ILE  86  -0.580   8.286  -3.506
  684   3HG2  ILE  86          3HG2      ILE  86  -0.613   9.918  -2.837
  685   1HD1  ILE  86          3HD1      ILE  86  -3.478   7.419  -0.236
  686   2HD1  ILE  86          2HD1      ILE  86  -4.090   6.249  -1.399
  687   3HD1  ILE  86          1HD1      ILE  86  -2.832   5.777  -0.256
  688    H    ILE  87           H        ILE  87   0.135   8.902   1.224
  689    HA   ILE  87           HA       ILE  87   1.085  11.628   0.418
  690    HB   ILE  87           HB       ILE  87   1.253  10.153   3.049
  691   1HG1  ILE  87          2HG1      ILE  87   0.404  13.000   2.560
  692   2HG1  ILE  87          1HG1      ILE  87  -0.726  11.674   2.283
  693   1HG2  ILE  87          1HG2      ILE  87   3.026  12.242   1.907
  694   2HG2  ILE  87          3HG2      ILE  87   2.470  12.519   3.557
  695   3HG2  ILE  87          2HG2      ILE  87   3.358  11.047   3.161
  696   1HD1  ILE  87          2HD1      ILE  87  -0.007  10.884   4.664
  697   2HD1  ILE  87          1HD1      ILE  87   0.572  12.538   4.858
  698   3HD1  ILE  87          3HD1      ILE  87  -1.133  12.235   4.527
  699    H    LEU  88           H        LEU  88   3.289  11.889  -0.043
  700    HA   LEU  88           HA       LEU  88   5.020   9.478   0.078
  701   1HB   LEU  88          2HB       LEU  88   4.391  11.074  -2.421
  702   2HB   LEU  88          1HB       LEU  88   5.751   9.958  -2.296
  703    HG   LEU  88           HG       LEU  88   3.537   8.530  -1.320
  704   1HD1  LEU  88          3HD1      LEU  88   2.149  10.337  -2.405
  705   2HD1  LEU  88          2HD1      LEU  88   2.854   9.869  -3.952
  706   3HD1  LEU  88          1HD1      LEU  88   1.861   8.722  -3.053
  707   1HD2  LEU  88          2HD2      LEU  88   5.605   8.269  -3.183
  708   2HD2  LEU  88          1HD2      LEU  88   4.454   7.015  -2.723
  709   3HD2  LEU  88          3HD2      LEU  88   4.136   8.033  -4.129
  710    H    SER  89           HN       SER  89   4.765  12.948  -0.682
  711    HA   SER  89           HA       SER  89   6.400  14.647  -0.536
  712   1HB   SER  89          2HB       SER  89   5.722  13.766   1.919
  713   2HB   SER  89          1HB       SER  89   7.444  13.386   1.952
  714    HG   SER  89           HG       SER  89   7.008  15.520   2.665
   
  No H/Q in entry =         714
  Start of MODEL    5
    1   1H    LYS   1          2H        LYS   1  -8.589   5.742   8.645
    2   2H    LYS   1          1H        LYS   1  -8.504   4.314   7.725
    3   3H    LYS   1          3H        LYS   1  -9.400   4.342   9.165
    4    HA   LYS   1           HA       LYS   1  -7.469   4.526  10.495
    5   1HB   LYS   1          2HB       LYS   1  -7.931   2.364   8.695
    6   2HB   LYS   1          1HB       LYS   1  -6.186   2.586   8.822
    7   1HG   LYS   1          2HG       LYS   1  -6.837   1.086  10.589
    8   2HG   LYS   1          1HG       LYS   1  -6.473   2.642  11.337
    9   1HD   LYS   1          2HD       LYS   1  -9.090   3.021  10.843
   10   2HD   LYS   1          1HD       LYS   1  -9.093   1.264  11.008
   11   1HE   LYS   1          2HE       LYS   1  -7.572   1.874  13.138
   12   2HE   LYS   1          1HE       LYS   1  -8.517   3.360  13.047
   13   1HZ   LYS   1          3HZ       LYS   1  -9.852   0.740  12.874
   14   2HZ   LYS   1          2HZ       LYS   1  -9.427   1.381  14.389
   15   3HZ   LYS   1          1HZ       LYS   1 -10.487   2.232  13.370
   16    H    LYS   2           H        LYS   2  -4.875   3.958  10.038
   17    HA   LYS   2           HA       LYS   2  -3.969   5.995   8.046
   18   1HB   LYS   2          2HB       LYS   2  -3.705   7.098  10.130
   19   2HB   LYS   2          1HB       LYS   2  -3.130   5.633  10.926
   20   1HG   LYS   2          2HG       LYS   2  -1.000   6.084  10.348
   21   2HG   LYS   2          1HG       LYS   2  -1.451   6.280   8.653
   22   1HD   LYS   2          2HD       LYS   2  -2.263   8.596   9.211
   23   2HD   LYS   2          1HD       LYS   2  -1.600   8.383  10.830
   24   1HE   LYS   2          2HE       LYS   2   0.163   7.858   8.461
   25   2HE   LYS   2          1HE       LYS   2  -0.140   9.526   8.950
   26   1HZ   LYS   2          1HZ       LYS   2   0.495   8.791  11.251
   27   2HZ   LYS   2          3HZ       LYS   2   1.055   7.347  10.561
   28   3HZ   LYS   2          2HZ       LYS   2   1.762   8.827  10.119
   29    H    ALA   3           H        ALA   3  -3.034   4.708   6.504
   30    HA   ALA   3           HA       ALA   3  -1.538   2.296   7.261
   31   1HB   ALA   3          1HB       ALA   3  -2.421   3.587   4.715
   32   2HB   ALA   3          3HB       ALA   3  -1.020   2.518   4.646
   33   3HB   ALA   3          2HB       ALA   3  -2.567   1.907   5.230
   34    H    VAL   4           H        VAL   4   0.751   2.065   6.955
   35    HA   VAL   4           HA       VAL   4   2.241   4.556   6.323
   36    HB   VAL   4           HB       VAL   4   2.929   2.866   8.735
   37   1HG1  VAL   4          2HG1      VAL   4   4.353   4.780   7.319
   38   2HG1  VAL   4          1HG1      VAL   4   3.662   5.700   8.654
   39   3HG1  VAL   4          3HG1      VAL   4   4.669   4.291   8.984
   40   1HG2  VAL   4          3HG2      VAL   4   0.673   3.889   9.007
   41   2HG2  VAL   4          2HG2      VAL   4   1.859   4.596  10.105
   42   3HG2  VAL   4          1HG2      VAL   4   1.370   5.469   8.653
   43    H    ILE   5           H        ILE   5   3.725   4.063   4.829
   44    HA   ILE   5           HA       ILE   5   4.644   1.248   4.557
   45    HB   ILE   5           HB       ILE   5   5.210   3.560   2.689
   46   1HG1  ILE   5          2HG1      ILE   5   2.697   3.070   3.293
   47   2HG1  ILE   5          1HG1      ILE   5   3.158   3.274   1.615
   48   1HG2  ILE   5          3HG2      ILE   5   5.745   0.693   2.719
   49   2HG2  ILE   5          2HG2      ILE   5   4.882   1.187   1.263
   50   3HG2  ILE   5          1HG2      ILE   5   6.416   1.951   1.679
   51   1HD1  ILE   5          1HD1      ILE   5   3.461   0.508   2.476
   52   2HD1  ILE   5          3HD1      ILE   5   1.811   1.091   2.695
   53   3HD1  ILE   5          2HD1      ILE   5   2.567   1.166   1.102
   54    H    ASN   6           H        ASN   6   6.459   0.820   5.695
   55    HA   ASN   6           HA       ASN   6   8.464   3.002   6.019
   56   1HB   ASN   6          2HB       ASN   6   8.665   0.447   7.552
   57   2HB   ASN   6          1HB       ASN   6   9.067   2.088   8.055
   58   1HD2  ASN   6          2HD2      ASN   6   6.080   2.169   9.890
   59   2HD2  ASN   6          1HD2      ASN   6   7.764   2.379   9.866
   60    H    GLY   7           H        GLY   7   9.424   2.667   3.932
   61   1HA   GLY   7          2HA       GLY   7  10.319   0.092   3.033
   62   2HA   GLY   7          1HA       GLY   7  10.879   1.647   2.404
   63    H    GLU   8           H        GLU   8  11.402   2.116   5.518
   64    HA   GLU   8           HA       GLU   8  14.227   1.603   5.326
   65   1HB   GLU   8          2HB       GLU   8  12.977   3.395   6.745
   66   2HB   GLU   8          1HB       GLU   8  12.801   2.101   7.930
   67   1HG   GLU   8          2HG       GLU   8  14.870   2.639   8.655
   68   2HG   GLU   8          1HG       GLU   8  15.475   1.945   7.150
   69    H    GLN   9           H        GLN   9  11.557  -0.286   6.207
   70    HA   GLN   9           HA       GLN   9  13.340  -2.313   7.484
   71   1HB   GLN   9          2HB       GLN   9  11.369  -1.227   8.825
   72   2HB   GLN   9          1HB       GLN   9  10.356  -2.282   7.839
   73   1HG   GLN   9          2HG       GLN   9  11.319  -4.239   8.717
   74   2HG   GLN   9          1HG       GLN   9  12.753  -3.386   9.289
   75   1HE2  GLN   9          2HE2      GLN   9   9.885  -3.969  11.918
   76   2HE2  GLN   9          1HE2      GLN   9  10.204  -4.932  10.558
   77    H    ILE  10           H        ILE  10  11.151  -1.581   4.956
   78    HA   ILE  10           HA       ILE  10  10.375  -4.259   4.242
   79    HB   ILE  10           HB       ILE  10  10.602  -1.780   2.510
   80   1HG1  ILE  10          2HG1      ILE  10   9.111  -1.678   4.579
   81   2HG1  ILE  10          1HG1      ILE  10   8.299  -1.377   3.045
   82   1HG2  ILE  10          1HG2      ILE  10   9.495  -4.529   2.079
   83   2HG2  ILE  10          3HG2      ILE  10   8.666  -3.155   1.342
   84   3HG2  ILE  10          2HG2      ILE  10  10.356  -3.479   0.953
   85   1HD1  ILE  10          3HD1      ILE  10   7.697  -3.835   3.006
   86   2HD1  ILE  10          2HD1      ILE  10   8.302  -3.939   4.658
   87   3HD1  ILE  10          1HD1      ILE  10   6.920  -2.907   4.286
   88    H    ARG  11           H        ARG  11  12.028  -5.698   3.957
   89    HA   ARG  11           HA       ARG  11  14.577  -5.012   2.753
   90   1HB   ARG  11          2HB       ARG  11  13.712  -7.843   2.588
   91   2HB   ARG  11          1HB       ARG  11  15.196  -7.159   3.255
   92   1HG   ARG  11          2HG       ARG  11  13.756  -6.319   5.197
   93   2HG   ARG  11          1HG       ARG  11  12.492  -7.381   4.571
   94   1HD   ARG  11          2HD       ARG  11  15.264  -8.449   5.063
   95   2HD   ARG  11          1HD       ARG  11  14.114  -8.315   6.393
   96    HE   ARG  11           HE       ARG  11  12.940 -10.143   5.477
   97   1HH1  ARG  11          1HH1      ARG  11  12.989 -10.635   1.911
   98   2HH1  ARG  11          2HH1      ARG  11  11.880 -10.008   3.085
   99   1HH2  ARG  11          1HH2      ARG  11  15.748 -10.392   3.998
  100   2HH2  ARG  11          2HH2      ARG  11  15.180 -10.852   2.428
  101    H    SER  12           H        SER  12  11.640  -6.635   1.640
  102    HA   SER  12           HA       SER  12  12.395  -5.933  -1.154
  103   1HB   SER  12          2HB       SER  12  12.419  -8.591  -0.061
  104   2HB   SER  12          1HB       SER  12  11.124  -8.473  -1.248
  105    HG   SER  12           HG       SER  12  13.890  -8.166  -1.546
  106    H    ILE  13           H        ILE  13  10.474  -6.135  -2.629
  107    HA   ILE  13           HA       ILE  13   8.240  -4.729  -1.741
  108    HB   ILE  13           HB       ILE  13   8.712  -5.183  -4.123
  109   1HG1  ILE  13          2HG1      ILE  13   6.409  -5.533  -4.834
  110   2HG1  ILE  13          1HG1      ILE  13   6.010  -6.290  -3.291
  111   1HG2  ILE  13          3HG2      ILE  13   8.296  -7.966  -3.161
  112   2HG2  ILE  13          2HG2      ILE  13   7.655  -7.585  -4.759
  113   3HG2  ILE  13          1HG2      ILE  13   9.370  -7.359  -4.422
  114   1HD1  ILE  13          3HD1      ILE  13   7.223  -3.677  -2.898
  115   2HD1  ILE  13          2HD1      ILE  13   5.788  -3.570  -3.914
  116   3HD1  ILE  13          1HD1      ILE  13   5.678  -4.289  -2.311
  117    H    SER  14           H        SER  14   8.996  -8.092  -1.258
  118    HA   SER  14           HA       SER  14   6.378  -9.087  -0.724
  119   1HB   SER  14          2HB       SER  14   9.027 -10.067  -0.573
  120   2HB   SER  14          1HB       SER  14   8.332 -10.285   1.031
  121    HG   SER  14           HG       SER  14   7.689 -12.043  -0.083
  122    H    ASP  15           H        ASP  15   8.832  -7.731   1.502
  123    HA   ASP  15           HA       ASP  15   7.181  -7.902   3.832
  124   1HB   ASP  15          2HB       ASP  15   9.753  -6.728   3.072
  125   2HB   ASP  15          1HB       ASP  15   8.886  -5.771   4.269
  126    H    LEU  16           H        LEU  16   7.185  -5.813   1.136
  127    HA   LEU  16           HA       LEU  16   5.984  -3.492   2.402
  128   1HB   LEU  16          2HB       LEU  16   7.160  -3.324   0.247
  129   2HB   LEU  16          1HB       LEU  16   5.995  -4.415  -0.486
  130    HG   LEU  16           HG       LEU  16   4.571  -2.715  -0.907
  131   1HD1  LEU  16          2HD1      LEU  16   4.959  -2.018   2.003
  132   2HD1  LEU  16          1HD1      LEU  16   4.064  -0.948   0.923
  133   3HD1  LEU  16          3HD1      LEU  16   3.504  -2.599   1.191
  134   1HD2  LEU  16          3HD2      LEU  16   7.132  -1.488  -0.265
  135   2HD2  LEU  16          2HD2      LEU  16   6.032  -1.155  -1.605
  136   3HD2  LEU  16          1HD2      LEU  16   5.782  -0.377  -0.042
  137    H    HIS  17           H        HIS  17   4.618  -5.838   0.088
  138    HA   HIS  17           HA       HIS  17   1.924  -5.243   0.428
  139   1HB   HIS  17          2HB       HIS  17   3.260  -7.921  -0.007
  140   2HB   HIS  17          1HB       HIS  17   1.516  -7.665  -0.156
  141    HD1  HIS  17           HD1      HIS  17   0.854  -5.657  -1.924
  142    HD2  HIS  17           HD2      HIS  17   4.650  -7.332  -2.325
  143    HE1  HIS  17           HE1      HIS  17   1.679  -5.017  -4.231
  144    H    GLN  18           H        GLN  18   4.078  -6.836   2.592
  145    HA   GLN  18           HA       GLN  18   2.040  -7.976   4.314
  146   1HB   GLN  18          2HB       GLN  18   4.958  -7.325   4.786
  147   2HB   GLN  18          1HB       GLN  18   3.936  -8.138   5.971
  148   1HG   GLN  18          2HG       GLN  18   3.402  -9.790   4.024
  149   2HG   GLN  18          1HG       GLN  18   4.861  -9.131   3.284
  150   1HE2  GLN  18          2HE2      GLN  18   5.443 -10.900   6.955
  151   2HE2  GLN  18          1HE2      GLN  18   4.119  -9.860   6.738
  152    H    THR  19           H        THR  19   4.193  -5.222   4.622
  153    HA   THR  19           HA       THR  19   3.167  -4.025   6.943
  154    HB   THR  19           HB       THR  19   4.430  -2.888   4.452
  155    HG1  THR  19           HG1      THR  19   5.647  -4.026   6.063
  156   1HG2  THR  19          3HG2      THR  19   2.853  -1.436   6.417
  157   2HG2  THR  19          2HG2      THR  19   4.532  -0.894   6.411
  158   3HG2  THR  19          1HG2      THR  19   3.588  -0.855   4.922
  159    H    LEU  20           H        LEU  20   1.896  -4.020   3.697
  160    HA   LEU  20           HA       LEU  20  -0.181  -2.045   4.299
  161   1HB   LEU  20          2HB       LEU  20  -0.493  -4.045   2.083
  162   2HB   LEU  20          1HB       LEU  20  -0.924  -2.333   2.106
  163    HG   LEU  20           HG       LEU  20   1.875  -3.450   2.028
  164   1HD1  LEU  20          2HD1      LEU  20   0.001  -3.011  -0.034
  165   2HD1  LEU  20          1HD1      LEU  20   1.189  -1.712  -0.144
  166   3HD1  LEU  20          3HD1      LEU  20   1.715  -3.394  -0.203
  167   1HD2  LEU  20          3HD2      LEU  20   0.986  -1.015   3.052
  168   2HD2  LEU  20          2HD2      LEU  20   2.636  -1.385   2.548
  169   3HD2  LEU  20          1HD2      LEU  20   1.517  -0.625   1.416
  170    H    LYS  21           H        LYS  21   0.183  -5.522   4.147
  171    HA   LYS  21           HA       LYS  21  -2.523  -6.272   4.694
  172   1HB   LYS  21          2HB       LYS  21  -0.971  -7.964   3.990
  173   2HB   LYS  21          1HB       LYS  21   0.136  -7.585   5.316
  174   1HG   LYS  21          2HG       LYS  21  -1.061  -8.808   6.819
  175   2HG   LYS  21          1HG       LYS  21  -2.608  -8.270   6.162
  176   1HD   LYS  21          2HD       LYS  21  -2.766 -10.039   4.730
  177   2HD   LYS  21          1HD       LYS  21  -1.035 -10.047   4.391
  178   1HE   LYS  21          2HE       LYS  21  -1.879 -12.067   5.673
  179   2HE   LYS  21          1HE       LYS  21  -0.553 -11.197   6.446
  180   1HZ   LYS  21          2HZ       LYS  21  -3.158 -10.197   7.142
  181   2HZ   LYS  21          1HZ       LYS  21  -2.907 -11.808   7.618
  182   3HZ   LYS  21          3HZ       LYS  21  -1.845 -10.594   8.143
  183    H    LYS  22           H        LYS  22  -0.042  -4.859   6.634
  184    HA   LYS  22           HA       LYS  22  -1.292  -5.608   9.202
  185   1HB   LYS  22          2HB       LYS  22   0.796  -3.478   9.065
  186   2HB   LYS  22          1HB       LYS  22   0.647  -4.831  10.190
  187   1HG   LYS  22          2HG       LYS  22   1.226  -6.328   8.201
  188   2HG   LYS  22          1HG       LYS  22   1.661  -4.837   7.370
  189   1HD   LYS  22          2HD       LYS  22   3.313  -4.305   9.080
  190   2HD   LYS  22          1HD       LYS  22   2.829  -5.714  10.024
  191   1HE   LYS  22          2HE       LYS  22   3.368  -6.775   7.513
  192   2HE   LYS  22          1HE       LYS  22   4.623  -5.553   7.721
  193   1HZ   LYS  22          1HZ       LYS  22   4.893  -6.570  10.033
  194   2HZ   LYS  22          3HZ       LYS  22   4.032  -7.895   9.417
  195   3HZ   LYS  22          2HZ       LYS  22   5.507  -7.439   8.709
  196    H    GLU  23           H        GLU  23  -0.509  -2.534   7.563
  197    HA   GLU  23           HA       GLU  23  -2.107  -0.905   9.280
  198   1HB   GLU  23          2HB       GLU  23  -2.228   0.522   6.986
  199   2HB   GLU  23          1HB       GLU  23  -0.820   0.521   8.041
  200   1HG   GLU  23          2HG       GLU  23   0.420  -0.783   6.616
  201   2HG   GLU  23          1HG       GLU  23  -0.990  -1.650   6.005
  202    H    LEU  24           H        LEU  24  -2.834  -2.016   6.034
  203    HA   LEU  24           HA       LEU  24  -5.591  -1.265   6.063
  204   1HB   LEU  24          2HB       LEU  24  -4.431  -3.558   4.467
  205   2HB   LEU  24          1HB       LEU  24  -5.771  -2.499   4.031
  206    HG   LEU  24           HG       LEU  24  -3.060  -1.306   4.519
  207   1HD1  LEU  24          2HD1      LEU  24  -3.960  -2.846   2.094
  208   2HD1  LEU  24          1HD1      LEU  24  -2.750  -1.567   1.981
  209   3HD1  LEU  24          3HD1      LEU  24  -2.443  -2.984   2.987
  210   1HD2  LEU  24          1HD2      LEU  24  -5.425  -0.176   4.032
  211   2HD2  LEU  24          3HD2      LEU  24  -3.925   0.501   3.406
  212   3HD2  LEU  24          2HD2      LEU  24  -4.946  -0.492   2.364
  213    H    ALA  25           H        ALA  25  -3.831  -3.957   7.351
  214    HA   ALA  25           HA       ALA  25  -4.553  -5.713   8.734
  215   1HB   ALA  25          3HB       ALA  25  -6.470  -3.643   9.055
  216   2HB   ALA  25          2HB       ALA  25  -7.368  -5.152   8.890
  217   3HB   ALA  25          1HB       ALA  25  -6.144  -4.987  10.149
  218    H    LEU  26           H        LEU  26  -4.339  -6.308   6.096
  219    HA   LEU  26           HA       LEU  26  -6.805  -7.386   4.989
  220   1HB   LEU  26          2HB       LEU  26  -3.982  -8.132   4.179
  221   2HB   LEU  26          1HB       LEU  26  -5.440  -8.174   3.188
  222    HG   LEU  26           HG       LEU  26  -4.282  -5.638   4.368
  223   1HD1  LEU  26          3HD1      LEU  26  -3.199  -7.113   2.304
  224   2HD1  LEU  26          2HD1      LEU  26  -4.256  -5.987   1.456
  225   3HD1  LEU  26          1HD1      LEU  26  -2.994  -5.376   2.524
  226   1HD2  LEU  26          3HD2      LEU  26  -6.826  -6.280   3.291
  227   2HD2  LEU  26          2HD2      LEU  26  -6.197  -4.675   3.672
  228   3HD2  LEU  26          1HD2      LEU  26  -5.981  -5.346   2.056
  229    HA   PRO  27           HA       PRO  27  -6.745 -11.353   6.850
  230   1HB   PRO  27          2HB       PRO  27  -7.696 -12.917   4.809
  231   2HB   PRO  27          1HB       PRO  27  -8.705 -11.772   5.715
  232   1HG   PRO  27          2HG       PRO  27  -7.637 -11.548   2.947
  233   2HG   PRO  27          1HG       PRO  27  -9.064 -10.779   3.661
  234   1HD   PRO  27          2HD       PRO  27  -6.531  -9.570   3.204
  235   2HD   PRO  27          1HD       PRO  27  -7.877  -8.877   4.134
  236    H    GLU  28           H        GLU  28  -6.333 -13.857   5.787
  237    HA   GLU  28           HA       GLU  28  -3.423 -13.931   5.528
  238   1HB   GLU  28          2HB       GLU  28  -4.524 -15.650   6.848
  239   2HB   GLU  28          1HB       GLU  28  -5.536 -16.105   5.473
  240   1HG   GLU  28          2HG       GLU  28  -3.667 -16.955   4.255
  241   2HG   GLU  28          1HG       GLU  28  -2.515 -16.220   5.369
  242    H    TYR  29           H        TYR  29  -6.145 -15.053   3.489
  243    HA   TYR  29           HA       TYR  29  -4.578 -15.861   1.280
  244   1HB   TYR  29          2HB       TYR  29  -6.633 -15.655  -0.047
  245   2HB   TYR  29          1HB       TYR  29  -6.973 -16.402   1.518
  246    HD1  TYR  29           HD1      TYR  29  -6.836 -13.006  -0.105
  247    HD2  TYR  29           HD2      TYR  29  -8.689 -15.546   2.830
  248    HE1  TYR  29           HE1      TYR  29  -8.502 -11.234   0.380
  249    HE2  TYR  29           HE2      TYR  29 -10.350 -13.768   3.316
  250    HH   TYR  29           HH       TYR  29 -11.268 -11.823   2.445
  251    H    TYR  30           H        TYR  30  -5.149 -12.726   2.456
  252    HA   TYR  30           HA       TYR  30  -5.309 -10.970   0.387
  253   1HB   TYR  30          2HB       TYR  30  -4.850 -10.072   2.550
  254   2HB   TYR  30          1HB       TYR  30  -3.323 -10.944   2.668
  255    HD1  TYR  30           HD1      TYR  30  -4.962  -8.664   0.162
  256    HD2  TYR  30           HD2      TYR  30  -1.436  -9.609   2.428
  257    HE1  TYR  30           HE1      TYR  30  -3.785  -6.733  -0.866
  258    HE2  TYR  30           HE2      TYR  30  -0.257  -7.687   1.395
  259    HH   TYR  30           HH       TYR  30  -0.350  -6.211  -0.377
  260    H    GLY  31           H        GLY  31  -4.123 -10.382  -1.389
  261   1HA   GLY  31          2HA       GLY  31  -1.931 -12.192  -2.163
  262   2HA   GLY  31          1HA       GLY  31  -2.696 -10.986  -3.204
  263    H    GLU  32           H        GLU  32  -0.759 -10.024  -3.858
  264    HA   GLU  32           HA       GLU  32   0.385  -8.138  -1.920
  265   1HB   GLU  32          2HB       GLU  32   2.741  -8.909  -2.564
  266   2HB   GLU  32          1HB       GLU  32   1.854  -9.971  -1.471
  267   1HG   GLU  32          2HG       GLU  32   1.415 -11.548  -3.148
  268   2HG   GLU  32          1HG       GLU  32   1.683 -10.384  -4.446
  269    H    ASN  33           H        ASN  33  -1.135  -7.402  -3.983
  270    HA   ASN  33           HA       ASN  33   0.705  -5.917  -5.673
  271   1HB   ASN  33          2HB       ASN  33  -0.559  -6.939  -7.779
  272   2HB   ASN  33          1HB       ASN  33   0.879  -7.720  -7.123
  273   1HD2  ASN  33          2HD2      ASN  33  -2.521  -9.435  -5.642
  274   2HD2  ASN  33          1HD2      ASN  33  -2.240  -7.774  -5.433
  275    H    LEU  34           H        LEU  34  -0.986  -5.146  -7.691
  276    HA   LEU  34           HA       LEU  34  -2.819  -3.414  -6.261
  277   1HB   LEU  34          2HB       LEU  34  -3.524  -2.860  -8.727
  278   2HB   LEU  34          1HB       LEU  34  -1.934  -2.368  -8.149
  279    HG   LEU  34           HG       LEU  34  -2.026  -5.097  -9.259
  280   1HD1  LEU  34          1HD1      LEU  34  -3.611  -3.528 -10.676
  281   2HD1  LEU  34          3HD1      LEU  34  -2.086  -2.862 -11.260
  282   3HD1  LEU  34          2HD1      LEU  34  -2.446  -4.573 -11.490
  283   1HD2  LEU  34          3HD2      LEU  34  -0.256  -2.727  -9.110
  284   2HD2  LEU  34          2HD2      LEU  34   0.150  -4.439  -8.997
  285   3HD2  LEU  34          1HD2      LEU  34  -0.094  -3.693 -10.576
  286    H    ASP  35           H        ASP  35  -3.148  -6.599  -7.413
  287    HA   ASP  35           HA       ASP  35  -5.978  -6.350  -8.105
  288   1HB   ASP  35          2HB       ASP  35  -5.495  -9.038  -7.581
  289   2HB   ASP  35          1HB       ASP  35  -5.518  -8.269  -9.161
  290    H    ALA  36           H        ALA  36  -4.214  -8.010  -5.451
  291    HA   ALA  36           HA       ALA  36  -6.664  -8.461  -3.980
  292   1HB   ALA  36          3HB       ALA  36  -4.127  -9.498  -3.836
  293   2HB   ALA  36          2HB       ALA  36  -4.173  -8.450  -2.418
  294   3HB   ALA  36          1HB       ALA  36  -5.374  -9.732  -2.608
  295    H    LEU  37           H        LEU  37  -4.121  -6.064  -3.880
  296    HA   LEU  37           HA       LEU  37  -5.010  -4.714  -1.501
  297   1HB   LEU  37          2HB       LEU  37  -2.775  -4.358  -2.535
  298   2HB   LEU  37          1HB       LEU  37  -3.565  -3.560  -3.894
  299    HG   LEU  37           HG       LEU  37  -4.644  -2.338  -1.621
  300   1HD1  LEU  37          3HD1      LEU  37  -1.718  -2.975  -1.320
  301   2HD1  LEU  37          2HD1      LEU  37  -2.384  -1.489  -0.641
  302   3HD1  LEU  37          1HD1      LEU  37  -2.998  -3.055  -0.108
  303   1HD2  LEU  37          3HD2      LEU  37  -2.698  -1.625  -3.780
  304   2HD2  LEU  37          2HD2      LEU  37  -4.300  -0.968  -3.455
  305   3HD2  LEU  37          1HD2      LEU  37  -2.928  -0.479  -2.455
  306    H    TRP  38           H        TRP  38  -5.476  -3.941  -4.954
  307    HA   TRP  38           HA       TRP  38  -7.335  -1.828  -4.599
  308   1HB   TRP  38          2HB       TRP  38  -6.302  -2.383  -6.771
  309   2HB   TRP  38          1HB       TRP  38  -7.122  -3.933  -6.766
  310    HD1  TRP  38           HD1      TRP  38  -9.017  -3.987  -8.308
  311    HE1  TRP  38           HE1      TRP  38 -10.828  -2.365  -9.160
  312    HE3  TRP  38           HE3      TRP  38  -7.709   0.242  -5.744
  313    HZ2  TRP  38           HZ2      TRP  38 -11.599   0.359  -8.821
  314    HZ3  TRP  38           HZ3      TRP  38  -8.978   2.334  -6.055
  315    HH2  TRP  38           HH2      TRP  38 -10.930   2.399  -7.580
  316    H    ASP  39           H        ASP  39  -7.742  -5.306  -4.800
  317    HA   ASP  39           HA       ASP  39 -10.594  -5.351  -4.644
  318   1HB   ASP  39          2HB       ASP  39  -8.408  -7.277  -4.360
  319   2HB   ASP  39          1HB       ASP  39  -9.775  -7.631  -3.298
  320    H    ALA  40           H        ALA  40  -8.105  -4.949  -2.246
  321    HA   ALA  40           HA       ALA  40  -9.957  -5.285   0.010
  322   1HB   ALA  40          1HB       ALA  40  -7.495  -5.828   0.152
  323   2HB   ALA  40          3HB       ALA  40  -7.172  -4.096   0.060
  324   3HB   ALA  40          2HB       ALA  40  -8.081  -4.753   1.423
  325    H    LEU  41           H        LEU  41  -7.835  -2.535  -0.776
  326    HA   LEU  41           HA       LEU  41  -9.044  -0.510   0.594
  327   1HB   LEU  41          2HB       LEU  41  -7.938  -0.465  -2.211
  328   2HB   LEU  41          1HB       LEU  41  -8.455   1.004  -1.387
  329    HG   LEU  41           HG       LEU  41  -6.576  -0.880  -0.005
  330   1HD1  LEU  41          3HD1      LEU  41  -5.798   1.229  -2.051
  331   2HD1  LEU  41          2HD1      LEU  41  -4.668   0.418  -0.963
  332   3HD1  LEU  41          1HD1      LEU  41  -5.534  -0.508  -2.191
  333   1HD2  LEU  41          1HD2      LEU  41  -7.795   1.442   0.745
  334   2HD2  LEU  41          3HD2      LEU  41  -6.293   0.835   1.438
  335   3HD2  LEU  41          2HD2      LEU  41  -6.247   2.041   0.150
  336    H    THR  42           H        THR  42 -10.060  -1.616  -2.584
  337    HA   THR  42           HA       THR  42 -12.476   0.042  -2.492
  338    HB   THR  42           HB       THR  42 -12.865  -0.648  -4.697
  339    HG1  THR  42           HG1      THR  42 -12.538  -2.635  -5.352
  340   1HG2  THR  42          3HG2      THR  42 -10.198  -0.045  -3.930
  341   2HG2  THR  42          2HG2      THR  42 -10.110  -1.284  -5.178
  342   3HG2  THR  42          1HG2      THR  42 -10.958   0.226  -5.498
  343    H    GLY  43           H        GLY  43 -12.435  -1.698  -0.261
  344   1HA   GLY  43          2HA       GLY  43 -14.864  -2.662   0.145
  345   2HA   GLY  43          1HA       GLY  43 -14.304  -3.886  -0.995
  346    H    TRP  44           H        TRP  44 -12.315  -2.366   1.582
  347    HA   TRP  44           HA       TRP  44 -12.628  -4.661   3.349
  348   1HB   TRP  44          2HB       TRP  44 -11.176  -5.769   1.756
  349   2HB   TRP  44          1HB       TRP  44 -10.073  -4.391   1.744
  350    HD1  TRP  44           HD1      TRP  44  -8.894  -3.810   4.183
  351    HE1  TRP  44           HE1      TRP  44  -8.073  -5.431   6.012
  352    HE3  TRP  44           HE3      TRP  44 -11.453  -8.015   2.848
  353    HZ2  TRP  44           HZ2      TRP  44  -8.455  -8.156   6.805
  354    HZ3  TRP  44           HZ3      TRP  44 -11.211 -10.108   4.153
  355    HH2  TRP  44           HH2      TRP  44  -9.714 -10.184   6.128
  356    H    VAL  45           H        VAL  45 -10.428  -2.065   2.377
  357    HA   VAL  45           HA       VAL  45  -9.483  -1.585   5.068
  358    HB   VAL  45           HB       VAL  45  -9.165  -0.388   2.372
  359   1HG1  VAL  45          2HG1      VAL  45  -8.533   1.149   4.895
  360   2HG1  VAL  45          1HG1      VAL  45  -8.009   1.591   3.271
  361   3HG1  VAL  45          3HG1      VAL  45  -9.726   1.593   3.673
  362   1HG2  VAL  45          2HG2      VAL  45  -7.666  -2.115   3.458
  363   2HG2  VAL  45          1HG2      VAL  45  -6.842  -0.674   2.860
  364   3HG2  VAL  45          3HG2      VAL  45  -7.165  -0.852   4.585
  365    H    GLU  46           H        GLU  46  -9.803   0.585   6.133
  366    HA   GLU  46           HA       GLU  46 -12.645   1.459   5.835
  367   1HB   GLU  46          2HB       GLU  46 -10.936   0.892   8.159
  368   2HB   GLU  46          1HB       GLU  46 -11.782   2.435   8.271
  369   1HG   GLU  46          2HG       GLU  46 -13.845   1.450   8.389
  370   2HG   GLU  46          1HG       GLU  46 -13.391   0.132   7.308
  371    H    TYR  47           H        TYR  47 -12.939   3.503   5.112
  372    HA   TYR  47           HA       TYR  47 -10.572   5.310   5.049
  373   1HB   TYR  47          2HB       TYR  47 -13.169   5.421   3.486
  374   2HB   TYR  47          1HB       TYR  47 -11.774   6.475   3.242
  375    HD1  TYR  47           HD2      TYR  47  -9.510   4.577   3.548
  376    HD2  TYR  47           HD1      TYR  47 -13.283   4.111   1.531
  377    HE1  TYR  47           HE2      TYR  47  -8.496   2.881   2.040
  378    HE2  TYR  47           HE1      TYR  47 -12.265   2.417   0.034
  379    HH   TYR  47           HH       TYR  47 -10.134   1.728  -0.765
  380    HA   PRO  48           HA       PRO  48 -10.769   7.616   4.187
  381   1HB   PRO  48          2HB       PRO  48  -9.516   9.659   5.533
  382   2HB   PRO  48          1HB       PRO  48 -11.032   9.849   4.631
  383   1HG   PRO  48          2HG       PRO  48 -10.608   9.679   7.587
  384   2HG   PRO  48          1HG       PRO  48 -11.872  10.528   6.680
  385   1HD   PRO  48          2HD       PRO  48 -12.211   8.071   7.989
  386   2HD   PRO  48          1HD       PRO  48 -13.274   8.705   6.711
  387    H    LEU  49           H        LEU  49  -8.680   6.943   3.839
  388    HA   LEU  49           HA       LEU  49  -7.198   5.888   6.212
  389   1HB   LEU  49          2HB       LEU  49  -7.648   3.999   4.912
  390   2HB   LEU  49          1HB       LEU  49  -7.563   4.899   3.398
  391    HG   LEU  49           HG       LEU  49  -5.068   5.172   3.841
  392   1HD1  LEU  49          1HD1      LEU  49  -5.818   3.230   6.029
  393   2HD1  LEU  49          3HD1      LEU  49  -4.184   3.300   5.372
  394   3HD1  LEU  49          2HD1      LEU  49  -4.876   4.714   6.166
  395   1HD2  LEU  49          1HD2      LEU  49  -6.542   3.049   2.739
  396   2HD2  LEU  49          3HD2      LEU  49  -4.857   3.470   2.411
  397   3HD2  LEU  49          2HD2      LEU  49  -5.247   2.300   3.676
  398    H    VAL  50           H        VAL  50  -5.079   6.543   6.481
  399    HA   VAL  50           HA       VAL  50  -4.098   8.605   4.569
  400    HB   VAL  50           HB       VAL  50  -4.003   8.267   7.471
  401   1HG1  VAL  50          3HG1      VAL  50  -1.416   8.608   5.975
  402   2HG1  VAL  50          2HG1      VAL  50  -1.653   9.425   7.519
  403   3HG1  VAL  50          1HG1      VAL  50  -1.744   7.667   7.430
  404   1HG2  VAL  50          1HG2      VAL  50  -4.731  10.216   5.837
  405   2HG2  VAL  50          3HG2      VAL  50  -4.056  10.581   7.426
  406   3HG2  VAL  50          2HG2      VAL  50  -3.035  10.680   5.990
  407    H    LEU  51           H        LEU  51  -2.963   7.505   2.971
  408    HA   LEU  51           HA       LEU  51  -1.311   5.173   3.685
  409   1HB   LEU  51          2HB       LEU  51  -2.548   5.348   1.490
  410   2HB   LEU  51          1HB       LEU  51  -1.439   6.647   1.038
  411    HG   LEU  51           HG       LEU  51   0.452   4.954   1.561
  412   1HD1  LEU  51          2HD1      LEU  51  -1.991   3.225   1.586
  413   2HD1  LEU  51          1HD1      LEU  51  -0.467   2.579   0.958
  414   3HD1  LEU  51          3HD1      LEU  51  -0.564   3.155   2.629
  415   1HD2  LEU  51          3HD2      LEU  51  -1.438   4.830  -0.763
  416   2HD2  LEU  51          2HD2      LEU  51   0.192   5.511  -0.693
  417   3HD2  LEU  51          1HD2      LEU  51  -0.038   3.761  -0.693
  418    H    GLU  52           H        GLU  52  -0.060   6.660   5.237
  419    HA   GLU  52           HA       GLU  52   1.711   8.666   4.189
  420   1HB   GLU  52          2HB       GLU  52   1.293   8.668   6.551
  421   2HB   GLU  52          1HB       GLU  52   1.775   6.977   6.701
  422   1HG   GLU  52          2HG       GLU  52   3.923   7.573   6.995
  423   2HG   GLU  52          1HG       GLU  52   3.910   8.476   5.480
  424    H    TRP  53           H        TRP  53   2.598   7.572   2.269
  425    HA   TRP  53           HA       TRP  53   4.161   5.143   2.655
  426   1HB   TRP  53          2HB       TRP  53   2.928   5.981   0.498
  427   2HB   TRP  53          1HB       TRP  53   4.424   6.884   0.225
  428    HD1  TRP  53           HD1      TRP  53   6.715   5.156   0.773
  429    HE1  TRP  53           HE1      TRP  53   7.091   2.823  -0.254
  430    HE3  TRP  53           HE3      TRP  53   1.935   4.012  -0.591
  431    HZ2  TRP  53           HZ2      TRP  53   5.566   0.760  -1.483
  432    HZ3  TRP  53           HZ3      TRP  53   1.424   1.858  -1.688
  433    HH2  TRP  53           HH2      TRP  53   3.237   0.218  -2.130
  434    H    ARG  54           H        ARG  54   6.295   5.078   3.225
  435    HA   ARG  54           HA       ARG  54   7.713   7.413   4.035
  436   1HB   ARG  54          2HB       ARG  54   8.409   4.542   3.589
  437   2HB   ARG  54          1HB       ARG  54   9.738   5.694   3.710
  438   1HG   ARG  54          2HG       ARG  54   7.516   5.360   5.744
  439   2HG   ARG  54          1HG       ARG  54   9.169   4.771   5.926
  440   1HD   ARG  54          2HD       ARG  54   9.382   7.498   5.209
  441   2HD   ARG  54          1HD       ARG  54   8.128   7.412   6.446
  442    HE   ARG  54           HE       ARG  54   9.772   6.438   7.969
  443   1HH1  ARG  54          2HH1      ARG  54  11.343   5.607   5.298
  444   2HH1  ARG  54          1HH1      ARG  54  12.820   6.460   5.601
  445   1HH2  ARG  54          1HH2      ARG  54  11.510   8.345   8.199
  446   2HH2  ARG  54          2HH2      ARG  54  12.915   8.010   7.243
  447    H    GLN  55           H        GLN  55  10.249   7.274   2.918
  448    HA   GLN  55           HA       GLN  55  10.240   8.958   0.757
  449   1HB   GLN  55          2HB       GLN  55  12.138   6.714   1.436
  450   2HB   GLN  55          1HB       GLN  55  12.429   7.776   0.058
  451   1HG   GLN  55          2HG       GLN  55  11.719   9.206   2.531
  452   2HG   GLN  55          1HG       GLN  55  13.231   8.303   2.637
  453   1HE2  GLN  55          2HE2      GLN  55  13.118  10.964  -0.491
  454   2HE2  GLN  55          1HE2      GLN  55  11.814   9.906  -0.250
  455    H    PHE  56           H        PHE  56   9.503   5.534   0.676
  456    HA   PHE  56           HA       PHE  56   8.385   4.338  -1.023
  457   1HB   PHE  56          2HB       PHE  56   7.440   6.600  -1.701
  458   2HB   PHE  56          1HB       PHE  56   8.794   6.738  -2.821
  459    HD1  PHE  56           HD2      PHE  56   5.777   4.752  -1.980
  460    HD2  PHE  56           HD1      PHE  56   8.908   5.449  -4.836
  461    HE1  PHE  56           HE2      PHE  56   4.584   3.350  -3.632
  462    HE2  PHE  56           HE1      PHE  56   7.717   4.045  -6.485
  463    HZ   PHE  56           HZ       PHE  56   5.555   2.992  -5.886
  464    H    GLU  57           H        GLU  57  10.618   6.350  -2.956
  465    HA   GLU  57           HA       GLU  57  11.629   4.436  -4.644
  466   1HB   GLU  57          2HB       GLU  57  13.080   6.692  -3.251
  467   2HB   GLU  57          1HB       GLU  57  13.852   5.704  -4.491
  468   1HG   GLU  57          2HG       GLU  57  12.469   6.497  -6.182
  469   2HG   GLU  57          1HG       GLU  57  11.163   6.900  -5.065
  470    H    GLN  58           H        GLN  58  12.300   4.717  -1.224
  471    HA   GLN  58           HA       GLN  58  14.636   3.145  -1.022
  472   1HB   GLN  58          2HB       GLN  58  13.368   2.379   1.234
  473   2HB   GLN  58          1HB       GLN  58  14.139   3.953   1.058
  474   1HG   GLN  58          2HG       GLN  58  12.081   5.040   0.627
  475   2HG   GLN  58          1HG       GLN  58  11.255   3.525   0.283
  476   1HE2  GLN  58          2HE2      GLN  58  12.247   3.583   4.218
  477   2HE2  GLN  58          1HE2      GLN  58  13.442   3.558   3.012
  478    H    SER  59           H        SER  59  11.281   1.917  -0.577
  479    HA   SER  59           HA       SER  59  12.288  -0.818  -1.022
  480   1HB   SER  59          2HB       SER  59  10.067  -1.540  -0.355
  481   2HB   SER  59          1HB       SER  59  10.619  -0.304   0.778
  482    HG   SER  59           HG       SER  59   9.485   1.174  -0.799
  483    H    LYS  60           H        LYS  60  11.340   1.655  -2.991
  484    HA   LYS  60           HA       LYS  60   9.706   0.105  -4.874
  485   1HB   LYS  60          2HB       LYS  60   9.468   2.577  -4.488
  486   2HB   LYS  60          1HB       LYS  60  11.033   2.786  -5.283
  487   1HG   LYS  60          2HG       LYS  60   9.713   1.164  -7.062
  488   2HG   LYS  60          1HG       LYS  60   8.401   2.175  -6.457
  489   1HD   LYS  60          2HD       LYS  60   9.826   4.192  -6.923
  490   2HD   LYS  60          1HD       LYS  60  11.002   3.122  -7.687
  491   1HE   LYS  60          2HE       LYS  60   8.737   2.310  -8.938
  492   2HE   LYS  60          1HE       LYS  60   8.344   4.006  -8.655
  493   1HZ   LYS  60          2HZ       LYS  60  10.749   4.361  -9.543
  494   2HZ   LYS  60          1HZ       LYS  60  10.506   2.842 -10.263
  495   3HZ   LYS  60          3HZ       LYS  60   9.464   4.128 -10.630
  496    H    GLN  61           H        GLN  61  13.100   0.801  -4.414
  497    HA   GLN  61           HA       GLN  61  13.846   0.253  -7.181
  498   1HB   GLN  61          2HB       GLN  61  15.171   1.742  -5.676
  499   2HB   GLN  61          1HB       GLN  61  15.609   0.321  -4.728
  500   1HG   GLN  61          2HG       GLN  61  16.901  -0.594  -6.452
  501   2HG   GLN  61          1HG       GLN  61  16.074   0.340  -7.699
  502   1HE2  GLN  61          2HE2      GLN  61  18.622   2.551  -5.347
  503   2HE2  GLN  61          1HE2      GLN  61  17.546   1.464  -4.610
  504    H    LEU  62           H        LEU  62  14.771  -1.385  -4.219
  505    HA   LEU  62           HA       LEU  62  15.844  -3.708  -5.153
  506   1HB   LEU  62          2HB       LEU  62  14.171  -4.716  -3.157
  507   2HB   LEU  62          1HB       LEU  62  15.811  -4.105  -2.938
  508    HG   LEU  62           HG       LEU  62  14.947  -1.859  -2.508
  509   1HD1  LEU  62          2HD1      LEU  62  12.553  -3.031  -3.670
  510   2HD1  LEU  62          1HD1      LEU  62  12.200  -2.244  -2.139
  511   3HD1  LEU  62          3HD1      LEU  62  12.955  -1.327  -3.445
  512   1HD2  LEU  62          1HD2      LEU  62  15.108  -3.460  -0.618
  513   2HD2  LEU  62          3HD2      LEU  62  13.805  -2.295  -0.388
  514   3HD2  LEU  62          2HD2      LEU  62  13.436  -3.941  -0.905
  515    H    THR  63           H        THR  63  12.506  -2.825  -5.454
  516    HA   THR  63           HA       THR  63  11.933  -5.489  -6.668
  517    HB   THR  63           HB       THR  63  10.512  -4.632  -4.707
  518    HG1  THR  63           HG1      THR  63   8.523  -5.075  -6.128
  519   1HG2  THR  63          1HG2      THR  63  10.369  -2.367  -6.367
  520   2HG2  THR  63          3HG2      THR  63   8.764  -3.096  -6.418
  521   3HG2  THR  63          2HG2      THR  63   9.479  -2.645  -4.869
  522    H    GLU  64           H        GLU  64   9.482  -4.136  -7.895
  523    HA   GLU  64           HA       GLU  64  10.469  -2.148  -9.743
  524   1HB   GLU  64          2HB       GLU  64  10.243  -3.620 -11.785
  525   2HB   GLU  64          1HB       GLU  64  11.634  -4.007 -10.772
  526   1HG   GLU  64          2HG       GLU  64   9.673  -5.562  -9.642
  527   2HG   GLU  64          1HG       GLU  64   9.228  -5.609 -11.348
  528    H    ASN  65           H        ASN  65   8.555  -1.044  -9.361
  529    HA   ASN  65           HA       ASN  65   6.314  -0.494  -9.891
  530   1HB   ASN  65          2HB       ASN  65   5.896  -3.333 -10.820
  531   2HB   ASN  65          1HB       ASN  65   5.037  -1.876 -11.323
  532   1HD2  ASN  65          2HD2      ASN  65   8.153  -0.781 -13.123
  533   2HD2  ASN  65          1HD2      ASN  65   7.277  -0.162 -11.807
  534    H    GLY  66           H        GLY  66   7.482  -2.810  -7.798
  535   1HA   GLY  66          2HA       GLY  66   5.119  -3.978  -6.721
  536   2HA   GLY  66          1HA       GLY  66   6.626  -3.743  -5.828
  537    H    ALA  67           H        ALA  67   7.000  -1.304  -5.237
  538    HA   ALA  67           HA       ALA  67   4.848  -0.495  -3.537
  539   1HB   ALA  67          2HB       ALA  67   7.209   1.124  -4.537
  540   2HB   ALA  67          1HB       ALA  67   6.174   1.556  -3.176
  541   3HB   ALA  67          3HB       ALA  67   7.192   0.119  -3.088
  542    H    GLU  68           H        GLU  68   5.857   0.539  -6.770
  543    HA   GLU  68           HA       GLU  68   4.078   2.754  -6.976
  544   1HB   GLU  68          2HB       GLU  68   5.712   1.127  -8.841
  545   2HB   GLU  68          1HB       GLU  68   4.360   2.008  -9.553
  546   1HG   GLU  68          2HG       GLU  68   6.067   3.499  -7.620
  547   2HG   GLU  68          1HG       GLU  68   6.774   3.137  -9.195
  548    H    SER  69           H        SER  69   3.480  -0.607  -6.946
  549    HA   SER  69           HA       SER  69   1.015  -0.365  -8.553
  550   1HB   SER  69          2HB       SER  69   2.568  -2.621  -7.357
  551   2HB   SER  69          1HB       SER  69   0.842  -2.864  -7.608
  552    HG   SER  69           HG       SER  69   2.011  -3.458  -9.455
  553    H    VAL  70           H        VAL  70   1.734  -1.509  -5.202
  554    HA   VAL  70           HA       VAL  70  -0.910  -1.504  -4.286
  555    HB   VAL  70           HB       VAL  70   1.607  -0.639  -2.823
  556   1HG1  VAL  70          3HG1      VAL  70  -1.119  -0.260  -2.088
  557   2HG1  VAL  70          2HG1      VAL  70  -0.493  -1.563  -1.089
  558   3HG1  VAL  70          1HG1      VAL  70   0.311   0.005  -1.091
  559   1HG2  VAL  70          2HG2      VAL  70   0.915  -3.136  -3.718
  560   2HG2  VAL  70          1HG2      VAL  70   1.903  -2.847  -2.285
  561   3HG2  VAL  70          3HG2      VAL  70   0.172  -3.138  -2.118
  562    H    LEU  71           H        LEU  71   1.303   1.025  -5.054
  563    HA   LEU  71           HA       LEU  71  -0.276   3.067  -3.784
  564   1HB   LEU  71          2HB       LEU  71   2.272   3.074  -4.239
  565   2HB   LEU  71          1HB       LEU  71   1.828   3.571  -5.870
  566    HG   LEU  71           HG       LEU  71   0.971   5.610  -5.155
  567   1HD1  LEU  71          1HD1      LEU  71   0.534   4.205  -2.535
  568   2HD1  LEU  71          3HD1      LEU  71   0.590   5.971  -2.586
  569   3HD1  LEU  71          2HD1      LEU  71  -0.632   5.099  -3.525
  570   1HD2  LEU  71          1HD2      LEU  71   3.488   4.869  -4.301
  571   2HD2  LEU  71          3HD2      LEU  71   2.874   6.519  -4.352
  572   3HD2  LEU  71          2HD2      LEU  71   2.777   5.591  -2.857
  573    H    GLN  72           H        GLN  72   0.294   2.055  -7.180
  574    HA   GLN  72           HA       GLN  72  -1.315   4.039  -8.381
  575   1HB   GLN  72          2HB       GLN  72  -0.671   1.197  -9.079
  576   2HB   GLN  72          1HB       GLN  72  -1.924   2.031  -9.999
  577   1HG   GLN  72          2HG       GLN  72   0.167   3.885  -9.806
  578   2HG   GLN  72          1HG       GLN  72   0.962   2.345 -10.134
  579   1HE2  GLN  72          2HE2      GLN  72  -0.816   1.918 -13.294
  580   2HE2  GLN  72          1HE2      GLN  72  -0.361   1.008 -11.936
  581    H    VAL  73           H        VAL  73  -2.155   1.237  -6.543
  582    HA   VAL  73           HA       VAL  73  -5.013   1.383  -7.157
  583    HB   VAL  73           HB       VAL  73  -3.494  -0.214  -5.080
  584   1HG1  VAL  73          1HG1      VAL  73  -5.986   0.261  -4.692
  585   2HG1  VAL  73          3HG1      VAL  73  -6.268  -0.702  -6.139
  586   3HG1  VAL  73          2HG1      VAL  73  -5.496  -1.434  -4.735
  587   1HG2  VAL  73          2HG2      VAL  73  -3.629  -0.406  -7.887
  588   2HG2  VAL  73          1HG2      VAL  73  -3.029  -1.633  -6.770
  589   3HG2  VAL  73          3HG2      VAL  73  -4.721  -1.656  -7.280
  590    H    PHE  74           H        PHE  74  -3.004   2.070  -4.271
  591    HA   PHE  74           HA       PHE  74  -4.992   2.854  -2.518
  592   1HB   PHE  74          2HB       PHE  74  -2.124   3.474  -2.931
  593   2HB   PHE  74          1HB       PHE  74  -3.025   4.645  -1.975
  594    HD1  PHE  74           HD1      PHE  74  -4.827   3.405  -0.328
  595    HD2  PHE  74           HD2      PHE  74  -1.093   1.785  -1.694
  596    HE1  PHE  74           HE1      PHE  74  -4.793   1.832   1.577
  597    HE2  PHE  74           HE2      PHE  74  -1.068   0.230   0.237
  598    HZ   PHE  74           HZ       PHE  74  -2.930   0.264   1.856
  599    H    ARG  75           H        ARG  75  -3.168   4.830  -4.812
  600    HA   ARG  75           HA       ARG  75  -4.748   7.197  -4.538
  601   1HB   ARG  75          2HB       ARG  75  -2.729   6.168  -6.461
  602   2HB   ARG  75          1HB       ARG  75  -3.807   7.432  -7.054
  603   1HG   ARG  75          2HG       ARG  75  -3.044   8.999  -5.511
  604   2HG   ARG  75          1HG       ARG  75  -2.517   7.764  -4.367
  605   1HD   ARG  75          2HD       ARG  75  -0.682   9.026  -5.680
  606   2HD   ARG  75          1HD       ARG  75  -0.572   7.268  -5.619
  607    HE   ARG  75           HE       ARG  75  -1.977   8.444  -7.946
  608   1HH1  ARG  75          1HH2      ARG  75  -0.429   5.722  -7.186
  609   2HH1  ARG  75          2HH2      ARG  75   0.794   5.788  -8.410
  610   1HH2  ARG  75          2HH1      ARG  75   0.137   9.084  -9.263
  611   2HH2  ARG  75          1HH1      ARG  75   1.115   7.691  -9.587
  612    H    GLU  76           H        GLU  76  -5.003   4.380  -6.769
  613    HA   GLU  76           HA       GLU  76  -7.031   5.426  -8.455
  614   1HB   GLU  76          2HB       GLU  76  -6.249   2.694  -7.559
  615   2HB   GLU  76          1HB       GLU  76  -7.827   2.876  -8.320
  616   1HG   GLU  76          2HG       GLU  76  -5.228   3.863  -9.518
  617   2HG   GLU  76          1HG       GLU  76  -6.023   2.351  -9.956
  618    H    ALA  77           H        ALA  77  -7.205   4.205  -5.182
  619    HA   ALA  77           HA       ALA  77 -10.128   4.124  -5.129
  620   1HB   ALA  77          2HB       ALA  77  -8.050   3.081  -3.545
  621   2HB   ALA  77          1HB       ALA  77  -8.850   4.276  -2.526
  622   3HB   ALA  77          3HB       ALA  77  -9.780   2.954  -3.225
  623    H    LYS  78           H        LYS  78  -7.609   6.228  -3.660
  624    HA   LYS  78           HA       LYS  78  -9.440   8.106  -2.560
  625   1HB   LYS  78          2HB       LYS  78  -7.549   9.423  -2.165
  626   2HB   LYS  78          1HB       LYS  78  -6.861   7.809  -2.233
  627   1HG   LYS  78          2HG       LYS  78  -5.433   8.732  -3.746
  628   2HG   LYS  78          1HG       LYS  78  -6.778   8.531  -4.869
  629   1HD   LYS  78          2HD       LYS  78  -5.932  10.827  -4.985
  630   2HD   LYS  78          1HD       LYS  78  -7.562  10.819  -4.308
  631   1HE   LYS  78          2HE       LYS  78  -5.905  10.485  -2.089
  632   2HE   LYS  78          1HE       LYS  78  -5.061  11.675  -3.082
  633   1HZ   LYS  78          1HZ       LYS  78  -7.742  12.350  -3.156
  634   2HZ   LYS  78          3HZ       LYS  78  -7.403  11.997  -1.532
  635   3HZ   LYS  78          2HZ       LYS  78  -6.494  13.174  -2.351
  636    H    ALA  79           H        ALA  79  -8.644   7.367  -5.782
  637    HA   ALA  79           HA       ALA  79  -9.275  10.028  -6.875
  638   1HB   ALA  79          1HB       ALA  79  -7.737   7.908  -7.761
  639   2HB   ALA  79          3HB       ALA  79  -9.214   7.733  -8.715
  640   3HB   ALA  79          2HB       ALA  79  -8.295   9.242  -8.774
  641    H    GLU  80           H        GLU  80 -10.465   6.794  -7.705
  642    HA   GLU  80           HA       GLU  80 -12.862   7.541  -8.889
  643   1HB   GLU  80          2HB       GLU  80 -12.549   5.086  -7.157
  644   2HB   GLU  80          1HB       GLU  80 -13.557   5.285  -8.591
  645   1HG   GLU  80          2HG       GLU  80 -10.889   5.955  -9.324
  646   2HG   GLU  80          1HG       GLU  80 -10.840   4.418  -8.460
  647    H    GLY  81           H        GLY  81 -12.743   6.240  -5.532
  648   1HA   GLY  81          2HA       GLY  81 -14.607   8.386  -4.704
  649   2HA   GLY  81          1HA       GLY  81 -15.246   6.742  -4.638
  650    H    ALA  82           H        ALA  82 -12.759   5.491  -3.832
  651    HA   ALA  82           HA       ALA  82 -12.935   5.367  -1.106
  652   1HB   ALA  82          2HB       ALA  82 -11.075   4.520  -3.002
  653   2HB   ALA  82          1HB       ALA  82 -10.121   5.466  -1.855
  654   3HB   ALA  82          3HB       ALA  82 -11.082   4.096  -1.290
  655    H    ASP  83           H        ASP  83 -11.957   6.440   0.676
  656    HA   ASP  83           HA       ASP  83 -11.158   9.259   0.094
  657   1HB   ASP  83          2HB       ASP  83 -13.123   8.327   1.787
  658   2HB   ASP  83          1HB       ASP  83 -11.760   8.530   2.887
  659    H    ILE  84           H        ILE  84  -9.116   7.687  -0.394
  660    HA   ILE  84           HA       ILE  84  -7.563   7.347   2.122
  661    HB   ILE  84           HB       ILE  84  -7.119   6.294  -0.682
  662   1HG1  ILE  84          2HG1      ILE  84  -7.354   4.471   1.605
  663   2HG1  ILE  84          1HG1      ILE  84  -8.814   5.411   1.290
  664   1HG2  ILE  84          2HG2      ILE  84  -5.041   6.872   0.782
  665   2HG2  ILE  84          1HG2      ILE  84  -5.564   5.518   1.784
  666   3HG2  ILE  84          3HG2      ILE  84  -5.142   5.252   0.092
  667   1HD1  ILE  84          2HD1      ILE  84  -7.566   4.370  -1.148
  668   2HD1  ILE  84          1HD1      ILE  84  -8.086   3.102  -0.040
  669   3HD1  ILE  84          3HD1      ILE  84  -9.248   4.291  -0.625
  670    H    THR  85           H        THR  85  -6.442   9.202   2.591
  671    HA   THR  85           HA       THR  85  -5.470  10.970   0.476
  672    HB   THR  85           HB       THR  85  -4.904  10.957   3.461
  673    HG1  THR  85           HG1      THR  85  -6.548  12.402   3.578
  674   1HG2  THR  85          3HG2      THR  85  -3.224  12.154   2.029
  675   2HG2  THR  85          2HG2      THR  85  -4.534  13.172   1.430
  676   3HG2  THR  85          1HG2      THR  85  -4.094  13.215   3.136
  677    H    ILE  86           H        ILE  86  -3.833  10.099  -0.736
  678    HA   ILE  86           HA       ILE  86  -1.846   8.329   0.460
  679    HB   ILE  86           HB       ILE  86  -2.687   9.117  -2.230
  680   1HG1  ILE  86          2HG1      ILE  86  -2.046   6.844  -2.733
  681   2HG1  ILE  86          1HG1      ILE  86  -1.064   6.748  -1.274
  682   1HG2  ILE  86          2HG2      ILE  86  -0.390  10.184  -2.150
  683   2HG2  ILE  86          1HG2      ILE  86   0.272   8.577  -1.849
  684   3HG2  ILE  86          3HG2      ILE  86  -0.567   8.916  -3.363
  685   1HD1  ILE  86          2HD1      ILE  86  -3.569   7.494  -0.316
  686   2HD1  ILE  86          1HD1      ILE  86  -3.940   6.346  -1.603
  687   3HD1  ILE  86          3HD1      ILE  86  -2.889   5.864  -0.270
  688    H    ILE  87           H        ILE  87   0.235   8.871   1.062
  689    HA   ILE  87           HA       ILE  87   0.807  11.780   1.221
  690    HB   ILE  87           HB       ILE  87   2.026   9.336   2.513
  691   1HG1  ILE  87          2HG1      ILE  87   1.409  10.719   4.573
  692   2HG1  ILE  87          1HG1      ILE  87   0.548  11.799   3.477
  693   1HG2  ILE  87          1HG2      ILE  87   3.194  12.023   2.067
  694   2HG2  ILE  87          3HG2      ILE  87   3.280  11.429   3.725
  695   3HG2  ILE  87          2HG2      ILE  87   3.995  10.490   2.414
  696   1HD1  ILE  87          2HD1      ILE  87  -0.196   9.111   2.847
  697   2HD1  ILE  87          1HD1      ILE  87  -0.364   9.335   4.587
  698   3HD1  ILE  87          3HD1      ILE  87  -1.215  10.406   3.473
  699    H    LEU  88           H        LEU  88   2.984   9.004   0.635
  700    HA   LEU  88           HA       LEU  88   4.632   8.698  -1.010
  701   1HB   LEU  88          2HB       LEU  88   2.590  10.370  -2.310
  702   2HB   LEU  88          1HB       LEU  88   4.208  10.574  -2.982
  703    HG   LEU  88           HG       LEU  88   2.823   7.908  -2.570
  704   1HD1  LEU  88          1HD1      LEU  88   2.480   9.864  -4.597
  705   2HD1  LEU  88          3HD1      LEU  88   3.442   8.565  -5.303
  706   3HD1  LEU  88          2HD1      LEU  88   1.870   8.208  -4.585
  707   1HD2  LEU  88          2HD2      LEU  88   5.558   8.762  -3.357
  708   2HD2  LEU  88          1HD2      LEU  88   5.023   7.266  -2.589
  709   3HD2  LEU  88          3HD2      LEU  88   4.842   7.477  -4.331
  710    H    SER  89           HN       SER  89   6.098   9.621   0.637
  711    HA   SER  89           HA       SER  89   6.714  12.371   0.890
  712   1HB   SER  89          2HB       SER  89   7.572  10.400   2.300
  713   2HB   SER  89          1HB       SER  89   8.784  10.171   1.037
  714    HG   SER  89           HG       SER  89   9.574  12.199   1.452
   
  No H/Q in entry =         714
  Start of MODEL    6
    1   1H    LYS   1          3H        LYS   1  -8.571   4.684   8.906
    2   2H    LYS   1          2H        LYS   1  -8.374   3.524   7.680
    3   3H    LYS   1          1H        LYS   1  -9.227   3.132   9.096
    4    HA   LYS   1           HA       LYS   1  -7.246   3.296  10.418
    5   1HB   LYS   1          2HB       LYS   1  -7.095   1.622   7.907
    6   2HB   LYS   1          1HB       LYS   1  -5.865   1.514   9.168
    7   1HG   LYS   1          2HG       LYS   1  -7.873   1.208  10.791
    8   2HG   LYS   1          1HG       LYS   1  -8.794   0.830   9.335
    9   1HD   LYS   1          2HD       LYS   1  -6.611  -0.715   8.910
   10   2HD   LYS   1          1HD       LYS   1  -6.650  -0.727  10.673
   11   1HE   LYS   1          2HE       LYS   1  -8.872  -1.554   8.789
   12   2HE   LYS   1          1HE       LYS   1  -7.991  -2.582   9.918
   13   1HZ   LYS   1          2HZ       LYS   1  -8.963  -0.531  11.447
   14   2HZ   LYS   1          1HZ       LYS   1 -10.240  -0.898  10.390
   15   3HZ   LYS   1          3HZ       LYS   1  -9.580  -2.111  11.373
   16    H    LYS   2           H        LYS   2  -4.688   3.114   9.979
   17    HA   LYS   2           HA       LYS   2  -3.924   5.226   8.017
   18   1HB   LYS   2          2HB       LYS   2  -3.919   6.484  10.003
   19   2HB   LYS   2          1HB       LYS   2  -3.349   5.127  10.974
   20   1HG   LYS   2          2HG       LYS   2  -1.135   5.323  10.147
   21   2HG   LYS   2          1HG       LYS   2  -1.643   6.338   8.797
   22   1HD   LYS   2          2HD       LYS   2  -2.493   7.921  10.756
   23   2HD   LYS   2          1HD       LYS   2  -1.251   7.066  11.672
   24   1HE   LYS   2          2HE       LYS   2   0.453   8.039  10.513
   25   2HE   LYS   2          1HE       LYS   2  -0.418   7.964   8.980
   26   1HZ   LYS   2          1HZ       LYS   2  -1.801   9.817   9.754
   27   2HZ   LYS   2          3HZ       LYS   2  -0.873   9.919  11.169
   28   3HZ   LYS   2          2HZ       LYS   2  -0.159  10.241   9.662
   29    H    ALA   3           H        ALA   3  -2.762   3.971   6.611
   30    HA   ALA   3           HA       ALA   3  -0.842   1.992   7.707
   31   1HB   ALA   3          1HB       ALA   3  -2.126   2.448   5.036
   32   2HB   ALA   3          3HB       ALA   3  -0.576   1.610   5.098
   33   3HB   ALA   3          2HB       ALA   3  -1.970   0.953   5.957
   34    H    VAL   4           H        VAL   4   1.384   2.190   7.332
   35    HA   VAL   4           HA       VAL   4   2.286   4.654   5.924
   36    HB   VAL   4           HB       VAL   4   3.240   3.708   8.647
   37   1HG1  VAL   4          1HG1      VAL   4   4.451   5.394   6.592
   38   2HG1  VAL   4          3HG1      VAL   4   4.259   6.246   8.123
   39   3HG1  VAL   4          2HG1      VAL   4   5.166   4.734   8.063
   40   1HG2  VAL   4          2HG2      VAL   4   1.118   5.449   7.837
   41   2HG2  VAL   4          1HG2      VAL   4   1.672   5.098   9.474
   42   3HG2  VAL   4          3HG2      VAL   4   2.383   6.435   8.570
   43    H    ILE   5           H        ILE   5   3.756   4.096   4.417
   44    HA   ILE   5           HA       ILE   5   4.993   1.435   4.491
   45    HB   ILE   5           HB       ILE   5   4.927   3.683   2.470
   46   1HG1  ILE   5          2HG1      ILE   5   4.043   1.275   1.411
   47   2HG1  ILE   5          1HG1      ILE   5   3.433   1.272   3.063
   48   1HG2  ILE   5          2HG2      ILE   5   6.634   1.233   2.614
   49   2HG2  ILE   5          1HG2      ILE   5   5.966   1.696   1.047
   50   3HG2  ILE   5          3HG2      ILE   5   7.003   2.817   1.930
   51   1HD1  ILE   5          2HD1      ILE   5   3.111   3.820   1.612
   52   2HD1  ILE   5          1HD1      ILE   5   2.159   2.467   0.995
   53   3HD1  ILE   5          3HD1      ILE   5   1.988   2.975   2.674
   54    H    ASN   6           H        ASN   6   6.955   1.134   5.396
   55    HA   ASN   6           HA       ASN   6   8.694   3.530   5.675
   56   1HB   ASN   6          2HB       ASN   6   9.220   1.026   7.226
   57   2HB   ASN   6          1HB       ASN   6   9.479   2.705   7.694
   58   1HD2  ASN   6          2HD2      ASN   6   6.553   2.565   9.616
   59   2HD2  ASN   6          1HD2      ASN   6   8.202   2.955   9.520
   60    H    GLY   7           H        GLY   7   9.899   3.432   3.776
   61   1HA   GLY   7          2HA       GLY   7  10.811   0.954   2.631
   62   2HA   GLY   7          1HA       GLY   7  11.382   2.566   2.178
   63    H    GLU   8           H        GLU   8  11.769   2.627   5.379
   64    HA   GLU   8           HA       GLU   8  14.616   2.011   5.169
   65   1HB   GLU   8          2HB       GLU   8  13.681   4.004   6.433
   66   2HB   GLU   8          1HB       GLU   8  13.092   2.859   7.640
   67   1HG   GLU   8          2HG       GLU   8  15.185   2.433   8.451
   68   2HG   GLU   8          1HG       GLU   8  15.935   2.547   6.859
   69    H    GLN   9           H        GLN   9  11.819   0.322   5.992
   70    HA   GLN   9           HA       GLN   9  13.440  -1.720   7.445
   71   1HB   GLN   9          2HB       GLN   9  11.722  -0.555   8.877
   72   2HB   GLN   9          1HB       GLN   9  10.480  -1.216   7.813
   73   1HG   GLN   9          2HG       GLN   9  11.558  -3.514   8.290
   74   2HG   GLN   9          1HG       GLN   9  12.370  -2.707   9.632
   75   1HE2  GLN   9          2HE2      GLN   9   8.526  -3.799  10.052
   76   2HE2  GLN   9          1HE2      GLN   9   9.484  -4.292   8.741
   77    H    ILE  10           H        ILE  10  11.249  -1.029   4.885
   78    HA   ILE  10           HA       ILE  10  10.314  -3.697   4.378
   79    HB   ILE  10           HB       ILE  10  10.693  -1.341   2.512
   80   1HG1  ILE  10          2HG1      ILE  10   9.033  -1.099   4.387
   81   2HG1  ILE  10          1HG1      ILE  10   8.297  -1.036   2.787
   82   1HG2  ILE  10          2HG2      ILE  10   9.490  -4.077   2.095
   83   2HG2  ILE  10          1HG2      ILE  10   8.997  -2.694   1.117
   84   3HG2  ILE  10          3HG2      ILE  10  10.675  -3.236   1.095
   85   1HD1  ILE  10          3HD1      ILE  10   8.085  -3.665   3.178
   86   2HD1  ILE  10          2HD1      ILE  10   8.133  -3.172   4.870
   87   3HD1  ILE  10          1HD1      ILE  10   6.875  -2.547   3.805
   88    H    ARG  11           H        ARG  11  11.851  -5.281   4.219
   89    HA   ARG  11           HA       ARG  11  14.459  -4.863   3.008
   90   1HB   ARG  11          2HB       ARG  11  13.393  -7.630   3.027
   91   2HB   ARG  11          1HB       ARG  11  14.917  -7.009   3.664
   92   1HG   ARG  11          2HG       ARG  11  13.524  -5.933   5.523
   93   2HG   ARG  11          1HG       ARG  11  12.193  -6.947   4.957
   94   1HD   ARG  11          2HD       ARG  11  14.841  -8.248   5.463
   95   2HD   ARG  11          1HD       ARG  11  13.853  -7.805   6.855
   96    HE   ARG  11           HE       ARG  11  12.355  -9.261   4.821
   97   1HH1  ARG  11          2HH1      ARG  11  13.062  -9.152   8.045
   98   2HH1  ARG  11          1HH1      ARG  11  13.164 -10.864   8.288
   99   1HH2  ARG  11          1HH2      ARG  11  13.088 -11.617   4.904
  100   2HH2  ARG  11          2HH2      ARG  11  13.178 -12.259   6.510
  101    H    SER  12           H        SER  12  11.409  -6.304   1.982
  102    HA   SER  12           HA       SER  12  12.175  -5.811  -0.844
  103   1HB   SER  12          2HB       SER  12  11.874  -8.017  -1.565
  104   2HB   SER  12          1HB       SER  12  12.692  -8.252  -0.023
  105    HG   SER  12           HG       SER  12  10.643  -9.468  -0.506
  106    H    ILE  13           H        ILE  13  10.205  -6.052  -2.283
  107    HA   ILE  13           HA       ILE  13   8.038  -4.536  -1.415
  108    HB   ILE  13           HB       ILE  13   8.357  -5.108  -3.771
  109   1HG1  ILE  13          2HG1      ILE  13   6.004  -5.732  -4.326
  110   2HG1  ILE  13          1HG1      ILE  13   5.744  -6.143  -2.631
  111   1HG2  ILE  13          1HG2      ILE  13   8.106  -7.849  -2.661
  112   2HG2  ILE  13          3HG2      ILE  13   7.341  -7.578  -4.227
  113   3HG2  ILE  13          2HG2      ILE  13   9.066  -7.270  -4.024
  114   1HD1  ILE  13          2HD1      ILE  13   6.451  -3.783  -2.048
  115   2HD1  ILE  13          1HD1      ILE  13   6.417  -3.422  -3.774
  116   3HD1  ILE  13          3HD1      ILE  13   4.935  -3.897  -2.943
  117    H    SER  14           H        SER  14   8.726  -7.883  -0.754
  118    HA   SER  14           HA       SER  14   6.152  -8.838  -0.076
  119   1HB   SER  14          2HB       SER  14   8.615  -9.937  -0.020
  120   2HB   SER  14          1HB       SER  14   8.415  -9.610   1.699
  121    HG   SER  14           HG       SER  14   6.597 -10.862   1.717
  122    H    ASP  15           H        ASP  15   8.566  -7.246   2.043
  123    HA   ASP  15           HA       ASP  15   6.883  -7.161   4.340
  124   1HB   ASP  15          2HB       ASP  15   9.446  -6.034   3.484
  125   2HB   ASP  15          1HB       ASP  15   8.556  -4.970   4.563
  126    H    LEU  16           H        LEU  16   6.918  -5.351   1.438
  127    HA   LEU  16           HA       LEU  16   5.627  -2.948   2.410
  128   1HB   LEU  16          2HB       LEU  16   6.832  -3.181   0.198
  129   2HB   LEU  16          1HB       LEU  16   5.483  -4.153  -0.368
  130    HG   LEU  16           HG       LEU  16   4.301  -2.303  -0.876
  131   1HD1  LEU  16          2HD1      LEU  16   4.948  -1.288   1.910
  132   2HD1  LEU  16          1HD1      LEU  16   3.866  -0.468   0.778
  133   3HD1  LEU  16          3HD1      LEU  16   3.456  -2.072   1.391
  134   1HD2  LEU  16          1HD2      LEU  16   7.021  -1.429  -0.482
  135   2HD2  LEU  16          3HD2      LEU  16   5.852  -0.912  -1.697
  136   3HD2  LEU  16          2HD2      LEU  16   5.898  -0.117  -0.125
  137    H    HIS  17           H        HIS  17   4.356  -5.679   0.483
  138    HA   HIS  17           HA       HIS  17   1.618  -5.044   0.863
  139   1HB   HIS  17          2HB       HIS  17   2.962  -7.714   0.381
  140   2HB   HIS  17          1HB       HIS  17   1.217  -7.448   0.273
  141    HD1  HIS  17           HD1      HIS  17   0.507  -5.476  -1.500
  142    HD2  HIS  17           HD2      HIS  17   4.312  -7.114  -1.958
  143    HE1  HIS  17           HE1      HIS  17   1.284  -4.842  -3.826
  144    H    GLN  18           H        GLN  18   3.925  -6.475   2.971
  145    HA   GLN  18           HA       GLN  18   1.947  -7.664   4.766
  146   1HB   GLN  18          2HB       GLN  18   4.914  -7.127   5.034
  147   2HB   GLN  18          1HB       GLN  18   3.952  -7.862   6.318
  148   1HG   GLN  18          2HG       GLN  18   3.184  -9.516   4.437
  149   2HG   GLN  18          1HG       GLN  18   4.639  -8.965   3.607
  150   1HE2  GLN  18          2HE2      GLN  18   5.034 -11.725   6.446
  151   2HE2  GLN  18          1HE2      GLN  18   3.572 -11.357   5.666
  152    H    THR  19           H        THR  19   3.679  -4.693   4.414
  153    HA   THR  19           HA       THR  19   2.975  -3.592   6.997
  154    HB   THR  19           HB       THR  19   4.180  -2.538   4.460
  155    HG1  THR  19           HG1      THR  19   5.339  -3.507   6.270
  156   1HG2  THR  19          1HG2      THR  19   2.497  -0.833   5.183
  157   2HG2  THR  19          3HG2      THR  19   3.303  -0.757   6.750
  158   3HG2  THR  19          2HG2      THR  19   4.159  -0.257   5.291
  159    H    LEU  20           H        LEU  20   1.553  -3.624   3.821
  160    HA   LEU  20           HA       LEU  20  -0.567  -1.719   4.560
  161   1HB   LEU  20          2HB       LEU  20  -0.932  -3.542   2.227
  162   2HB   LEU  20          1HB       LEU  20  -1.292  -1.821   2.369
  163    HG   LEU  20           HG       LEU  20   1.490  -2.967   2.217
  164   1HD1  LEU  20          1HD1      LEU  20  -0.460  -2.328   0.149
  165   2HD1  LEU  20          3HD1      LEU  20   1.069  -1.468  -0.058
  166   3HD1  LEU  20          2HD1      LEU  20   1.052  -3.230   0.026
  167   1HD2  LEU  20          3HD2      LEU  20   0.399  -0.150   2.102
  168   2HD2  LEU  20          2HD2      LEU  20   1.405  -0.833   3.379
  169   3HD2  LEU  20          1HD2      LEU  20   2.079  -0.575   1.770
  170    H    LYS  21           H        LYS  21   0.016  -5.140   4.398
  171    HA   LYS  21           HA       LYS  21  -2.745  -5.932   4.896
  172   1HB   LYS  21          2HB       LYS  21  -1.333  -7.551   3.828
  173   2HB   LYS  21          1HB       LYS  21  -0.094  -7.382   5.074
  174   1HG   LYS  21          2HG       LYS  21  -1.240  -8.685   6.580
  175   2HG   LYS  21          1HG       LYS  21  -2.817  -8.155   5.992
  176   1HD   LYS  21          2HD       LYS  21  -2.660  -9.590   4.058
  177   2HD   LYS  21          1HD       LYS  21  -0.982  -9.990   4.429
  178   1HE   LYS  21          2HE       LYS  21  -3.346 -10.648   6.212
  179   2HE   LYS  21          1HE       LYS  21  -2.556 -11.792   5.126
  180   1HZ   LYS  21          3HZ       LYS  21  -0.441 -10.974   6.400
  181   2HZ   LYS  21          2HZ       LYS  21  -1.568 -10.596   7.612
  182   3HZ   LYS  21          1HZ       LYS  21  -1.427 -12.192   7.049
  183    H    LYS  22           H        LYS  22  -0.050  -4.880   6.786
  184    HA   LYS  22           HA       LYS  22  -1.190  -5.931   9.297
  185   1HB   LYS  22          2HB       LYS  22   0.859  -5.472  10.267
  186   2HB   LYS  22          1HB       LYS  22   1.372  -5.639   8.590
  187   1HG   LYS  22          2HG       LYS  22   1.284  -3.214   8.289
  188   2HG   LYS  22          1HG       LYS  22   0.683  -3.008   9.932
  189   1HD   LYS  22          2HD       LYS  22   2.972  -4.564  10.251
  190   2HD   LYS  22          1HD       LYS  22   3.421  -3.400   9.003
  191   1HE   LYS  22          2HE       LYS  22   3.543  -1.738  10.516
  192   2HE   LYS  22          1HE       LYS  22   1.914  -2.087  11.094
  193   1HZ   LYS  22          3HZ       LYS  22   4.314  -3.636  11.892
  194   2HZ   LYS  22          2HZ       LYS  22   3.682  -2.345  12.796
  195   3HZ   LYS  22          1HZ       LYS  22   2.756  -3.748  12.551
  196    H    GLU  23           H        GLU  23  -0.843  -2.862   7.573
  197    HA   GLU  23           HA       GLU  23  -1.909  -1.305   9.802
  198   1HB   GLU  23          2HB       GLU  23  -1.427  -0.597   6.901
  199   2HB   GLU  23          1HB       GLU  23  -1.952   0.554   8.131
  200   1HG   GLU  23          2HG       GLU  23   0.544  -1.117   8.464
  201   2HG   GLU  23          1HG       GLU  23   0.568   0.455   7.664
  202    H    LEU  24           H        LEU  24  -3.094  -2.306   6.642
  203    HA   LEU  24           HA       LEU  24  -5.776  -1.295   7.155
  204   1HB   LEU  24          2HB       LEU  24  -5.041  -3.299   5.021
  205   2HB   LEU  24          1HB       LEU  24  -6.306  -2.070   4.985
  206    HG   LEU  24           HG       LEU  24  -3.406  -1.287   5.232
  207   1HD1  LEU  24          2HD1      LEU  24  -4.773  -2.444   2.912
  208   2HD1  LEU  24          1HD1      LEU  24  -4.054  -0.864   2.590
  209   3HD1  LEU  24          3HD1      LEU  24  -3.052  -2.184   3.196
  210   1HD2  LEU  24          2HD2      LEU  24  -6.017   0.016   4.777
  211   2HD2  LEU  24          1HD2      LEU  24  -4.545   0.658   5.508
  212   3HD2  LEU  24          3HD2      LEU  24  -4.705   0.599   3.752
  213    H    ALA  25           H        ALA  25  -4.065  -4.289   7.639
  214    HA   ALA  25           HA       ALA  25  -4.737  -6.152   8.920
  215   1HB   ALA  25          1HB       ALA  25  -6.560  -4.173   9.677
  216   2HB   ALA  25          3HB       ALA  25  -7.569  -5.530   9.177
  217   3HB   ALA  25          2HB       ALA  25  -6.355  -5.751  10.437
  218    H    LEU  26           H        LEU  26  -4.588  -6.463   6.243
  219    HA   LEU  26           HA       LEU  26  -7.078  -7.348   5.042
  220   1HB   LEU  26          2HB       LEU  26  -4.267  -8.136   4.209
  221   2HB   LEU  26          1HB       LEU  26  -5.712  -8.076   3.201
  222    HG   LEU  26           HG       LEU  26  -4.548  -5.647   4.575
  223   1HD1  LEU  26          2HD1      LEU  26  -3.173  -6.851   2.681
  224   2HD1  LEU  26          1HD1      LEU  26  -4.395  -6.151   1.620
  225   3HD1  LEU  26          3HD1      LEU  26  -3.395  -5.102   2.624
  226   1HD2  LEU  26          1HD2      LEU  26  -7.059  -6.167   3.410
  227   2HD2  LEU  26          3HD2      LEU  26  -6.395  -4.587   3.831
  228   3HD2  LEU  26          2HD2      LEU  26  -6.171  -5.233   2.205
  229    HA   PRO  27           HA       PRO  27  -7.219 -11.438   6.586
  230   1HB   PRO  27          2HB       PRO  27  -8.073 -12.862   4.398
  231   2HB   PRO  27          1HB       PRO  27  -9.115 -11.764   5.325
  232   1HG   PRO  27          2HG       PRO  27  -7.897 -11.371   2.640
  233   2HG   PRO  27          1HG       PRO  27  -9.354 -10.636   3.326
  234   1HD   PRO  27          2HD       PRO  27  -6.804  -9.424   3.081
  235   2HD   PRO  27          1HD       PRO  27  -8.181  -8.786   4.002
  236    H    GLU  28           H        GLU  28  -6.717 -13.892   5.525
  237    HA   GLU  28           HA       GLU  28  -3.802 -13.911   5.349
  238   1HB   GLU  28          2HB       GLU  28  -4.860 -15.658   6.633
  239   2HB   GLU  28          1HB       GLU  28  -5.894 -16.099   5.270
  240   1HG   GLU  28          2HG       GLU  28  -4.246 -17.287   4.241
  241   2HG   GLU  28          1HG       GLU  28  -2.997 -16.125   4.688
  242    H    TYR  29           H        TYR  29  -6.467 -14.958   3.213
  243    HA   TYR  29           HA       TYR  29  -4.825 -15.807   1.065
  244   1HB   TYR  29          2HB       TYR  29  -6.846 -15.572  -0.327
  245   2HB   TYR  29          1HB       TYR  29  -7.216 -16.350   1.216
  246    HD1  TYR  29           HD2      TYR  29  -7.059 -12.941  -0.351
  247    HD2  TYR  29           HD1      TYR  29  -8.950 -15.511   2.529
  248    HE1  TYR  29           HE2      TYR  29  -8.729 -11.172   0.130
  249    HE2  TYR  29           HE1      TYR  29 -10.617 -13.737   3.014
  250    HH   TYR  29           HH       TYR  29 -11.381 -11.729   2.446
  251    H    TYR  30           H        TYR  30  -5.374 -12.656   2.213
  252    HA   TYR  30           HA       TYR  30  -5.446 -10.960   0.054
  253   1HB   TYR  30          2HB       TYR  30  -5.159 -10.017   2.251
  254   2HB   TYR  30          1HB       TYR  30  -3.593 -10.806   2.446
  255    HD1  TYR  30           HD1      TYR  30  -5.180  -8.794  -0.305
  256    HD2  TYR  30           HD2      TYR  30  -1.845  -9.268   2.362
  257    HE1  TYR  30           HE1      TYR  30  -4.068  -6.832  -1.346
  258    HE2  TYR  30           HE2      TYR  30  -0.729  -7.317   1.312
  259    HH   TYR  30           HH       TYR  30  -1.036  -5.545  -0.057
  260    H    GLY  31           H        GLY  31  -4.201 -10.559  -1.712
  261   1HA   GLY  31          2HA       GLY  31  -1.925 -12.330  -2.227
  262   2HA   GLY  31          1HA       GLY  31  -2.595 -11.147  -3.356
  263    H    GLU  32           H        GLU  32  -1.011  -9.733  -3.865
  264    HA   GLU  32           HA       GLU  32   0.133  -7.998  -1.879
  265   1HB   GLU  32          2HB       GLU  32   2.548  -8.755  -2.363
  266   2HB   GLU  32          1HB       GLU  32   1.602  -9.761  -1.264
  267   1HG   GLU  32          2HG       GLU  32   1.052 -11.290  -3.104
  268   2HG   GLU  32          1HG       GLU  32   1.944 -10.272  -4.234
  269    H    ASN  33           H        ASN  33  -1.233  -7.415  -4.146
  270    HA   ASN  33           HA       ASN  33   0.757  -5.920  -5.688
  271   1HB   ASN  33          2HB       ASN  33  -0.852  -7.094  -7.690
  272   2HB   ASN  33          1HB       ASN  33   0.879  -7.286  -7.461
  273   1HD2  ASN  33          2HD2      ASN  33  -1.560 -10.144  -5.763
  274   2HD2  ASN  33          1HD2      ASN  33  -2.104  -8.537  -5.832
  275    H    LEU  34           H        LEU  34  -0.984  -5.252  -7.836
  276    HA   LEU  34           HA       LEU  34  -2.735  -3.390  -6.420
  277   1HB   LEU  34          2HB       LEU  34  -3.390  -2.825  -8.894
  278   2HB   LEU  34          1HB       LEU  34  -1.790  -2.385  -8.300
  279    HG   LEU  34           HG       LEU  34  -1.979  -5.112  -9.417
  280   1HD1  LEU  34          1HD1      LEU  34  -3.420  -3.339 -10.838
  281   2HD1  LEU  34          3HD1      LEU  34  -1.816  -2.947 -11.459
  282   3HD1  LEU  34          2HD1      LEU  34  -2.444  -4.588 -11.610
  283   1HD2  LEU  34          2HD2      LEU  34  -0.102  -2.814  -9.256
  284   2HD2  LEU  34          1HD2      LEU  34   0.217  -4.538  -9.074
  285   3HD2  LEU  34          3HD2      LEU  34   0.053  -3.836 -10.684
  286    H    ASP  35           H        ASP  35  -3.119  -6.566  -7.566
  287    HA   ASP  35           HA       ASP  35  -5.941  -6.277  -8.281
  288   1HB   ASP  35          2HB       ASP  35  -5.584  -8.951  -7.817
  289   2HB   ASP  35          1HB       ASP  35  -5.387  -8.167  -9.379
  290    H    ALA  36           H        ALA  36  -4.241  -8.022  -5.638
  291    HA   ALA  36           HA       ALA  36  -6.708  -8.409  -4.180
  292   1HB   ALA  36          1HB       ALA  36  -4.245  -9.566  -4.046
  293   2HB   ALA  36          3HB       ALA  36  -4.191  -8.497  -2.644
  294   3HB   ALA  36          2HB       ALA  36  -5.467  -9.708  -2.780
  295    H    LEU  37           H        LEU  37  -4.149  -6.041  -4.107
  296    HA   LEU  37           HA       LEU  37  -4.991  -4.728  -1.673
  297   1HB   LEU  37          2HB       LEU  37  -2.749  -4.390  -2.670
  298   2HB   LEU  37          1HB       LEU  37  -3.502  -3.588  -4.049
  299    HG   LEU  37           HG       LEU  37  -4.605  -2.331  -1.815
  300   1HD1  LEU  37          3HD1      LEU  37  -1.746  -3.122  -1.387
  301   2HD1  LEU  37          2HD1      LEU  37  -2.276  -1.532  -0.839
  302   3HD1  LEU  37          1HD1      LEU  37  -3.056  -2.984  -0.213
  303   1HD2  LEU  37          1HD2      LEU  37  -2.542  -1.657  -3.888
  304   2HD2  LEU  37          3HD2      LEU  37  -4.166  -1.006  -3.676
  305   3HD2  LEU  37          2HD2      LEU  37  -2.866  -0.500  -2.594
  306    H    TRP  38           H        TRP  38  -5.430  -3.888  -5.117
  307    HA   TRP  38           HA       TRP  38  -7.262  -1.748  -4.721
  308   1HB   TRP  38          2HB       TRP  38  -6.214  -2.276  -6.898
  309   2HB   TRP  38          1HB       TRP  38  -7.064  -3.810  -6.929
  310    HD1  TRP  38           HD1      TRP  38  -8.938  -3.778  -8.514
  311    HE1  TRP  38           HE1      TRP  38 -10.723  -2.099  -9.309
  312    HE3  TRP  38           HE3      TRP  38  -7.610   0.323  -5.754
  313    HZ2  TRP  38           HZ2      TRP  38 -11.473   0.614  -8.857
  314    HZ3  TRP  38           HZ3      TRP  38  -8.859   2.439  -5.984
  315    HH2  TRP  38           HH2      TRP  38 -10.796   2.590  -7.521
  316    H    ASP  39           H        ASP  39  -7.648  -5.208  -4.926
  317    HA   ASP  39           HA       ASP  39 -10.508  -5.276  -4.857
  318   1HB   ASP  39          2HB       ASP  39  -8.307  -7.191  -4.490
  319   2HB   ASP  39          1HB       ASP  39  -9.746  -7.568  -3.538
  320    H    ALA  40           H        ALA  40  -8.053  -4.945  -2.402
  321    HA   ALA  40           HA       ALA  40  -9.971  -5.239  -0.192
  322   1HB   ALA  40          3HB       ALA  40  -7.473  -5.804  -0.055
  323   2HB   ALA  40          2HB       ALA  40  -7.193  -4.063   0.002
  324   3HB   ALA  40          1HB       ALA  40  -8.136  -4.848   1.272
  325    H    LEU  41           H        LEU  41  -7.759  -2.548  -0.940
  326    HA   LEU  41           HA       LEU  41  -8.905  -0.466   0.368
  327   1HB   LEU  41          2HB       LEU  41  -7.792  -0.552  -2.425
  328   2HB   LEU  41          1HB       LEU  41  -8.305   0.966  -1.689
  329    HG   LEU  41           HG       LEU  41  -6.463  -0.880  -0.201
  330   1HD1  LEU  41          2HD1      LEU  41  -5.680   1.167  -2.300
  331   2HD1  LEU  41          1HD1      LEU  41  -4.553   0.430  -1.152
  332   3HD1  LEU  41          3HD1      LEU  41  -5.372  -0.570  -2.355
  333   1HD2  LEU  41          2HD2      LEU  41  -7.712   1.428   0.494
  334   2HD2  LEU  41          1HD2      LEU  41  -6.189   0.882   1.196
  335   3HD2  LEU  41          3HD2      LEU  41  -6.183   2.055  -0.122
  336    H    THR  42           H        THR  42 -10.049  -1.784  -2.658
  337    HA   THR  42           HA       THR  42 -12.361   0.017  -2.727
  338    HB   THR  42           HB       THR  42 -12.982  -1.122  -4.742
  339    HG1  THR  42           HG1      THR  42 -12.509  -3.150  -5.077
  340   1HG2  THR  42          1HG2      THR  42 -10.009  -0.814  -4.357
  341   2HG2  THR  42          3HG2      THR  42 -10.685  -1.295  -5.913
  342   3HG2  THR  42          2HG2      THR  42 -11.126   0.258  -5.204
  343    H    GLY  43           H        GLY  43 -12.277  -1.468  -0.254
  344   1HA   GLY  43          2HA       GLY  43 -14.701  -2.132   0.470
  345   2HA   GLY  43          1HA       GLY  43 -14.428  -3.483  -0.629
  346    H    TRP  44           H        TRP  44 -12.049  -2.052   1.682
  347    HA   TRP  44           HA       TRP  44 -12.427  -4.201   3.598
  348   1HB   TRP  44          2HB       TRP  44 -11.302  -5.536   1.882
  349   2HB   TRP  44          1HB       TRP  44  -9.995  -4.352   1.796
  350    HD1  TRP  44           HD1      TRP  44  -8.720  -3.903   4.266
  351    HE1  TRP  44           HE1      TRP  44  -8.042  -5.651   6.034
  352    HE3  TRP  44           HE3      TRP  44 -11.736  -7.771   2.878
  353    HZ2  TRP  44           HZ2      TRP  44  -8.697  -8.340   6.765
  354    HZ3  TRP  44           HZ3      TRP  44 -11.695  -9.914   4.123
  355    HH2  TRP  44           HH2      TRP  44 -10.179 -10.204   6.063
  356    H    VAL  45           H        VAL  45  -9.577  -2.512   2.371
  357    HA   VAL  45           HA       VAL  45  -8.241  -1.861   4.639
  358    HB   VAL  45           HB       VAL  45  -8.779  -0.385   2.116
  359   1HG1  VAL  45          1HG1      VAL  45  -7.698   0.821   4.598
  360   2HG1  VAL  45          3HG1      VAL  45  -6.880   1.204   3.083
  361   3HG1  VAL  45          2HG1      VAL  45  -8.597   1.559   3.273
  362   1HG2  VAL  45          3HG2      VAL  45  -6.779  -2.137   3.198
  363   2HG2  VAL  45          2HG2      VAL  45  -6.936  -1.534   1.550
  364   3HG2  VAL  45          1HG2      VAL  45  -6.027  -0.609   2.743
  365    H    GLU  46           H        GLU  46 -11.292  -0.491   3.666
  366    HA   GLU  46           HA       GLU  46 -12.851   0.728   4.945
  367   1HB   GLU  46          2HB       GLU  46 -11.575  -0.683   6.815
  368   2HB   GLU  46          1HB       GLU  46 -10.973   0.915   7.257
  369   1HG   GLU  46          2HG       GLU  46 -13.444   1.667   7.131
  370   2HG   GLU  46          1HG       GLU  46 -13.830  -0.054   7.171
  371    H    TYR  47           H        TYR  47 -13.187   2.949   5.144
  372    HA   TYR  47           HA       TYR  47 -10.765   4.702   5.076
  373   1HB   TYR  47          2HB       TYR  47 -13.281   4.986   3.397
  374   2HB   TYR  47          1HB       TYR  47 -11.911   6.097   3.382
  375    HD1  TYR  47           HD2      TYR  47  -9.605   4.216   3.532
  376    HD2  TYR  47           HD1      TYR  47 -13.256   3.992   1.265
  377    HE1  TYR  47           HE2      TYR  47  -8.479   2.776   1.853
  378    HE2  TYR  47           HE1      TYR  47 -12.118   2.560  -0.411
  379    HH   TYR  47           HH       TYR  47  -9.995   1.969  -1.170
  380    HA   PRO  48           HA       PRO  48 -11.026   7.160   4.490
  381   1HB   PRO  48          2HB       PRO  48  -9.908   9.031   6.164
  382   2HB   PRO  48          1HB       PRO  48 -11.396   9.295   5.233
  383   1HG   PRO  48          2HG       PRO  48 -11.075   8.708   8.151
  384   2HG   PRO  48          1HG       PRO  48 -12.330   9.649   7.325
  385   1HD   PRO  48          2HD       PRO  48 -12.654   7.027   8.246
  386   2HD   PRO  48          1HD       PRO  48 -13.666   7.803   7.006
  387    H    LEU  49           H        LEU  49  -8.906   6.613   4.131
  388    HA   LEU  49           HA       LEU  49  -7.467   5.273   6.384
  389   1HB   LEU  49          2HB       LEU  49  -7.725   3.578   4.841
  390   2HB   LEU  49          1HB       LEU  49  -7.806   4.689   3.479
  391    HG   LEU  49           HG       LEU  49  -5.305   5.093   3.819
  392   1HD1  LEU  49          3HD1      LEU  49  -5.825   3.511   6.117
  393   2HD1  LEU  49          2HD1      LEU  49  -4.834   2.526   5.041
  394   3HD1  LEU  49          1HD1      LEU  49  -4.264   4.112   5.559
  395   1HD2  LEU  49          1HD2      LEU  49  -6.732   2.981   2.559
  396   2HD2  LEU  49          3HD2      LEU  49  -5.179   3.677   2.092
  397   3HD2  LEU  49          2HD2      LEU  49  -5.235   2.308   3.204
  398    H    VAL  50           H        VAL  50  -5.111   5.559   6.394
  399    HA   VAL  50           HA       VAL  50  -4.245   8.095   5.066
  400    HB   VAL  50           HB       VAL  50  -3.860   7.069   7.860
  401   1HG1  VAL  50          2HG1      VAL  50  -1.855   8.752   6.333
  402   2HG1  VAL  50          1HG1      VAL  50  -1.921   8.678   8.094
  403   3HG1  VAL  50          3HG1      VAL  50  -1.555   7.227   7.164
  404   1HG2  VAL  50          2HG2      VAL  50  -5.390   9.007   6.919
  405   2HG2  VAL  50          1HG2      VAL  50  -4.542   9.206   8.453
  406   3HG2  VAL  50          3HG2      VAL  50  -3.889   9.930   6.983
  407    H    LEU  51           H        LEU  51  -3.191   7.162   3.292
  408    HA   LEU  51           HA       LEU  51  -1.401   4.862   3.702
  409   1HB   LEU  51          2HB       LEU  51  -2.755   5.097   1.620
  410   2HB   LEU  51          1HB       LEU  51  -1.849   6.567   1.237
  411    HG   LEU  51           HG       LEU  51   0.254   5.030   1.511
  412   1HD1  LEU  51          3HD1      LEU  51  -2.020   3.098   1.293
  413   2HD1  LEU  51          2HD1      LEU  51  -0.459   2.697   0.564
  414   3HD1  LEU  51          1HD1      LEU  51  -0.572   3.005   2.305
  415   1HD2  LEU  51          2HD2      LEU  51  -1.043   6.012  -0.607
  416   2HD2  LEU  51          1HD2      LEU  51   0.332   4.930  -0.773
  417   3HD2  LEU  51          3HD2      LEU  51  -1.305   4.293  -0.900
  418    H    GLU  52           H        GLU  52  -0.288   6.575   5.327
  419    HA   GLU  52           HA       GLU  52   1.390   8.604   4.212
  420   1HB   GLU  52          2HB       GLU  52   1.016   8.572   6.594
  421   2HB   GLU  52          1HB       GLU  52   1.653   6.934   6.726
  422   1HG   GLU  52          2HG       GLU  52   3.703   7.791   7.067
  423   2HG   GLU  52          1HG       GLU  52   3.654   8.480   5.443
  424    H    TRP  53           H        TRP  53   2.354   7.639   2.288
  425    HA   TRP  53           HA       TRP  53   4.005   5.258   2.611
  426   1HB   TRP  53          2HB       TRP  53   2.800   6.117   0.435
  427   2HB   TRP  53          1HB       TRP  53   4.278   7.065   0.236
  428    HD1  TRP  53           HD1      TRP  53   6.579   5.357   0.892
  429    HE1  TRP  53           HE1      TRP  53   7.080   3.079  -0.198
  430    HE3  TRP  53           HE3      TRP  53   1.947   4.184  -0.817
  431    HZ2  TRP  53           HZ2      TRP  53   5.671   1.019  -1.598
  432    HZ3  TRP  53           HZ3      TRP  53   1.524   2.067  -2.017
  433    HH2  TRP  53           HH2      TRP  53   3.390   0.469  -2.405
  434    H    ARG  54           H        ARG  54   5.740   5.625   3.958
  435    HA   ARG  54           HA       ARG  54   7.183   8.112   4.077
  436   1HB   ARG  54          2HB       ARG  54   8.399   5.439   4.782
  437   2HB   ARG  54          1HB       ARG  54   8.706   7.012   5.513
  438   1HG   ARG  54          2HG       ARG  54   5.889   6.338   5.681
  439   2HG   ARG  54          1HG       ARG  54   6.881   5.080   6.417
  440   1HD   ARG  54          2HD       ARG  54   6.760   8.015   7.111
  441   2HD   ARG  54          1HD       ARG  54   6.508   6.629   8.171
  442    HE   ARG  54           HE       ARG  54   8.981   6.175   7.912
  443   1HH1  ARG  54          1HH2      ARG  54   7.642   9.224   8.354
  444   2HH1  ARG  54          2HH2      ARG  54   9.111  10.101   8.082
  445   1HH2  ARG  54          2HH1      ARG  54  10.894   7.314   7.043
  446   2HH2  ARG  54          1HH1      ARG  54  10.952   9.020   7.340
  447    H    GLN  55           H        GLN  55   9.878   6.606   3.847
  448    HA   GLN  55           HA       GLN  55  10.800   7.578   1.437
  449   1HB   GLN  55          2HB       GLN  55  11.561   5.195   3.080
  450   2HB   GLN  55          1HB       GLN  55  12.292   5.377   1.485
  451   1HG   GLN  55          2HG       GLN  55  12.252   7.870   3.035
  452   2HG   GLN  55          1HG       GLN  55  13.202   6.591   3.792
  453   1HE2  GLN  55          2HE2      GLN  55  15.482   8.326   1.426
  454   2HE2  GLN  55          1HE2      GLN  55  14.663   8.732   2.856
  455    H    PHE  56           H        PHE  56   9.344   7.404  -0.289
  456    HA   PHE  56           HA       PHE  56   8.300   4.771  -1.072
  457   1HB   PHE  56          2HB       PHE  56   6.864   6.714  -1.376
  458   2HB   PHE  56          1HB       PHE  56   8.092   7.509  -2.360
  459    HD1  PHE  56           HD1      PHE  56   8.592   6.732  -4.633
  460    HD2  PHE  56           HD2      PHE  56   5.547   4.858  -2.254
  461    HE1  PHE  56           HE1      PHE  56   7.709   5.606  -6.651
  462    HE2  PHE  56           HE2      PHE  56   4.664   3.732  -4.271
  463    HZ   PHE  56           HZ       PHE  56   5.742   4.104  -6.474
  464    H    GLU  57           H        GLU  57  10.943   6.889  -1.916
  465    HA   GLU  57           HA       GLU  57  11.541   5.910  -4.517
  466   1HB   GLU  57          2HB       GLU  57  12.888   7.467  -2.457
  467   2HB   GLU  57          1HB       GLU  57  14.012   6.397  -3.295
  468   1HG   GLU  57          2HG       GLU  57  13.752   7.470  -5.308
  469   2HG   GLU  57          1HG       GLU  57  12.063   7.871  -4.993
  470    H    GLN  58           H        GLN  58  13.269   4.982  -1.513
  471    HA   GLN  58           HA       GLN  58  14.364   2.598  -2.696
  472   1HB   GLN  58          2HB       GLN  58  14.963   1.995  -0.362
  473   2HB   GLN  58          1HB       GLN  58  15.408   3.658  -0.743
  474   1HG   GLN  58          2HG       GLN  58  13.028   4.225   0.202
  475   2HG   GLN  58          1HG       GLN  58  13.164   2.650   0.983
  476   1HE2  GLN  58          2HE2      GLN  58  14.680   4.709   3.530
  477   2HE2  GLN  58          1HE2      GLN  58  13.180   4.098   3.022
  478    H    SER  59           H        SER  59  13.791   0.388  -2.182
  479    HA   SER  59           HA       SER  59  12.324  -1.368  -1.556
  480   1HB   SER  59          2HB       SER  59  11.481   0.449   0.187
  481   2HB   SER  59          1HB       SER  59  10.111   0.550  -0.921
  482    HG   SER  59           HG       SER  59   9.733  -1.042   0.629
  483    H    LYS  60           H        LYS  60  11.474   1.330  -3.568
  484    HA   LYS  60           HA       LYS  60   9.269  -0.037  -4.916
  485   1HB   LYS  60          2HB       LYS  60   9.226   2.379  -4.817
  486   2HB   LYS  60          1HB       LYS  60  10.837   2.477  -5.540
  487   1HG   LYS  60          2HG       LYS  60   9.289   0.900  -7.301
  488   2HG   LYS  60          1HG       LYS  60   8.271   2.272  -6.856
  489   1HD   LYS  60          2HD       LYS  60  11.148   2.580  -7.745
  490   2HD   LYS  60          1HD       LYS  60   9.785   2.656  -8.862
  491   1HE   LYS  60          2HE       LYS  60   8.928   4.614  -7.882
  492   2HE   LYS  60          1HE       LYS  60   9.827   4.368  -6.384
  493   1HZ   LYS  60          1HZ       LYS  60  11.672   4.506  -8.467
  494   2HZ   LYS  60          3HZ       LYS  60  10.600   5.803  -8.670
  495   3HZ   LYS  60          2HZ       LYS  60  11.437   5.617  -7.203
  496    H    GLN  61           H        GLN  61  12.578   0.951  -5.840
  497    HA   GLN  61           HA       GLN  61  12.478  -0.657  -8.287
  498   1HB   GLN  61          2HB       GLN  61  13.780   1.498  -8.043
  499   2HB   GLN  61          1HB       GLN  61  14.874   0.628  -6.966
  500   1HG   GLN  61          2HG       GLN  61  15.604  -0.823  -8.692
  501   2HG   GLN  61          1HG       GLN  61  14.249  -0.393  -9.737
  502   1HE2  GLN  61          2HE2      GLN  61  16.196   2.058 -11.328
  503   2HE2  GLN  61          1HE2      GLN  61  15.040   0.823 -11.459
  504    H    LEU  62           H        LEU  62  13.218  -1.146  -5.029
  505    HA   LEU  62           HA       LEU  62  15.194  -3.231  -5.297
  506   1HB   LEU  62          2HB       LEU  62  13.318  -2.420  -3.062
  507   2HB   LEU  62          1HB       LEU  62  14.479  -3.740  -2.901
  508    HG   LEU  62           HG       LEU  62  16.342  -2.257  -3.213
  509   1HD1  LEU  62          2HD1      LEU  62  14.268  -0.149  -3.909
  510   2HD1  LEU  62          1HD1      LEU  62  15.981   0.183  -3.657
  511   3HD1  LEU  62          3HD1      LEU  62  15.473  -0.840  -4.999
  512   1HD2  LEU  62          2HD2      LEU  62  14.180  -1.256  -1.381
  513   2HD2  LEU  62          1HD2      LEU  62  15.683  -2.085  -0.971
  514   3HD2  LEU  62          3HD2      LEU  62  15.717  -0.397  -1.484
  515    H    THR  63           H        THR  63  11.992  -3.152  -6.188
  516    HA   THR  63           HA       THR  63  11.766  -6.118  -5.884
  517    HB   THR  63           HB       THR  63  10.010  -5.561  -4.522
  518    HG1  THR  63           HG1      THR  63   8.496  -6.231  -5.762
  519   1HG2  THR  63          2HG2      THR  63  10.635  -3.114  -4.679
  520   2HG2  THR  63          1HG2      THR  63   9.512  -2.992  -6.030
  521   3HG2  THR  63          3HG2      THR  63   8.920  -3.435  -4.431
  522    H    GLU  64           H        GLU  64   9.493  -4.013  -7.518
  523    HA   GLU  64           HA       GLU  64  10.470  -3.979 -10.135
  524   1HB   GLU  64          2HB       GLU  64   9.129  -5.958 -11.080
  525   2HB   GLU  64          1HB       GLU  64  10.616  -6.361 -10.220
  526   1HG   GLU  64          2HG       GLU  64   8.621  -6.241  -8.238
  527   2HG   GLU  64          1HG       GLU  64   7.888  -7.108  -9.590
  528    H    ASN  65           H        ASN  65   9.020  -2.174  -8.898
  529    HA   ASN  65           HA       ASN  65   7.154  -0.800  -9.363
  530   1HB   ASN  65          2HB       ASN  65   7.119  -2.407 -11.530
  531   2HB   ASN  65          1HB       ASN  65   5.643  -2.960 -10.741
  532   1HD2  ASN  65          2HD2      ASN  65   3.855  -0.179 -11.920
  533   2HD2  ASN  65          1HD2      ASN  65   3.861  -1.823 -11.500
  534    H    GLY  66           H        GLY  66   7.466  -3.243  -7.377
  535   1HA   GLY  66          2HA       GLY  66   4.826  -4.080  -6.673
  536   2HA   GLY  66          1HA       GLY  66   6.212  -4.076  -5.574
  537    H    ALA  67           H        ALA  67   6.867  -1.642  -5.006
  538    HA   ALA  67           HA       ALA  67   4.745  -0.549  -3.436
  539   1HB   ALA  67          1HB       ALA  67   7.337   0.664  -4.440
  540   2HB   ALA  67          3HB       ALA  67   6.265   1.479  -3.302
  541   3HB   ALA  67          2HB       ALA  67   7.033  -0.044  -2.854
  542    H    GLU  68           H        GLU  68   6.127   0.607  -6.534
  543    HA   GLU  68           HA       GLU  68   4.447   2.817  -6.900
  544   1HB   GLU  68          2HB       GLU  68   6.044   1.053  -8.660
  545   2HB   GLU  68          1HB       GLU  68   4.749   1.946  -9.458
  546   1HG   GLU  68          2HG       GLU  68   5.604   4.055  -8.556
  547   2HG   GLU  68          1HG       GLU  68   6.862   3.189  -7.674
  548    H    SER  69           H        SER  69   3.747  -0.593  -7.255
  549    HA   SER  69           HA       SER  69   1.276  -0.132  -8.747
  550   1HB   SER  69          2HB       SER  69   2.772  -2.474  -7.732
  551   2HB   SER  69          1HB       SER  69   1.022  -2.668  -7.776
  552    HG   SER  69           HG       SER  69   2.829  -2.119  -9.870
  553    H    VAL  70           H        VAL  70   1.962  -1.245  -5.388
  554    HA   VAL  70           HA       VAL  70  -0.705  -1.287  -4.522
  555    HB   VAL  70           HB       VAL  70   1.714  -0.331  -2.951
  556   1HG1  VAL  70          1HG1      VAL  70  -0.970  -0.116  -2.306
  557   2HG1  VAL  70          3HG1      VAL  70  -0.501  -1.628  -1.535
  558   3HG1  VAL  70          2HG1      VAL  70   0.360  -0.138  -1.148
  559   1HG2  VAL  70          1HG2      VAL  70   1.158  -2.878  -4.013
  560   2HG2  VAL  70          3HG2      VAL  70   2.316  -2.507  -2.735
  561   3HG2  VAL  70          2HG2      VAL  70   0.670  -2.981  -2.322
  562    H    LEU  71           H        LEU  71   1.488   1.279  -5.245
  563    HA   LEU  71           HA       LEU  71  -0.148   3.280  -3.958
  564   1HB   LEU  71          2HB       LEU  71   2.368   3.438  -4.289
  565   2HB   LEU  71          1HB       LEU  71   2.026   3.774  -5.989
  566    HG   LEU  71           HG       LEU  71   0.819   5.752  -5.459
  567   1HD1  LEU  71          2HD1      LEU  71   0.718   4.527  -2.740
  568   2HD1  LEU  71          1HD1      LEU  71   0.711   6.291  -2.847
  569   3HD1  LEU  71          3HD1      LEU  71  -0.556   5.353  -3.651
  570   1HD2  LEU  71          3HD2      LEU  71   3.463   5.486  -4.930
  571   2HD2  LEU  71          2HD2      LEU  71   2.606   7.024  -4.829
  572   3HD2  LEU  71          1HD2      LEU  71   2.890   6.076  -3.370
  573    H    GLN  72           H        GLN  72   0.350   2.093  -7.257
  574    HA   GLN  72           HA       GLN  72  -1.170   4.051  -8.620
  575   1HB   GLN  72          2HB       GLN  72  -0.872   2.654 -10.390
  576   2HB   GLN  72          1HB       GLN  72   0.093   1.699  -9.268
  577   1HG   GLN  72          2HG       GLN  72  -1.824   0.358  -8.673
  578   2HG   GLN  72          1HG       GLN  72  -2.871   1.355  -9.681
  579   1HE2  GLN  72          2HE2      GLN  72  -0.407  -1.408 -11.447
  580   2HE2  GLN  72          1HE2      GLN  72  -0.177  -0.987  -9.820
  581    H    VAL  73           H        VAL  73  -2.069   1.215  -6.867
  582    HA   VAL  73           HA       VAL  73  -4.923   1.424  -7.362
  583    HB   VAL  73           HB       VAL  73  -3.379  -0.148  -5.288
  584   1HG1  VAL  73          2HG1      VAL  73  -5.832   0.271  -4.812
  585   2HG1  VAL  73          1HG1      VAL  73  -6.182  -0.587  -6.311
  586   3HG1  VAL  73          3HG1      VAL  73  -5.380  -1.425  -4.984
  587   1HG2  VAL  73          1HG2      VAL  73  -3.581  -0.359  -8.105
  588   2HG2  VAL  73          3HG2      VAL  73  -2.876  -1.532  -6.990
  589   3HG2  VAL  73          2HG2      VAL  73  -4.583  -1.651  -7.435
  590    H    PHE  74           H        PHE  74  -2.943   2.051  -4.430
  591    HA   PHE  74           HA       PHE  74  -4.937   2.858  -2.701
  592   1HB   PHE  74          2HB       PHE  74  -2.063   3.473  -3.071
  593   2HB   PHE  74          1HB       PHE  74  -2.972   4.636  -2.126
  594    HD1  PHE  74           HD2      PHE  74  -4.745   3.437  -0.427
  595    HD2  PHE  74           HD1      PHE  74  -1.070   1.759  -1.885
  596    HE1  PHE  74           HE2      PHE  74  -4.691   1.856   1.471
  597    HE2  PHE  74           HE1      PHE  74  -1.030   0.192   0.034
  598    HZ   PHE  74           HZ       PHE  74  -2.854   0.256   1.697
  599    H    ARG  75           H        ARG  75  -3.052   4.840  -4.929
  600    HA   ARG  75           HA       ARG  75  -4.562   7.239  -4.664
  601   1HB   ARG  75          2HB       ARG  75  -2.776   6.114  -6.810
  602   2HB   ARG  75          1HB       ARG  75  -3.658   7.618  -7.079
  603   1HG   ARG  75          2HG       ARG  75  -2.617   8.654  -5.163
  604   2HG   ARG  75          1HG       ARG  75  -1.889   7.123  -4.673
  605   1HD   ARG  75          2HD       ARG  75  -0.148   8.326  -5.773
  606   2HD   ARG  75          1HD       ARG  75  -0.704   7.128  -6.942
  607    HE   ARG  75           HE       ARG  75  -1.675   8.891  -8.236
  608   1HH1  ARG  75          1HH2      ARG  75  -2.989  10.649  -6.400
  609   2HH1  ARG  75          2HH2      ARG  75  -1.934  12.016  -6.267
  610   1HH2  ARG  75          2HH1      ARG  75   0.819  10.352  -7.562
  611   2HH2  ARG  75          1HH1      ARG  75   0.221  11.849  -6.926
  612    H    GLU  76           H        GLU  76  -4.937   4.423  -6.855
  613    HA   GLU  76           HA       GLU  76  -6.975   5.498  -8.515
  614   1HB   GLU  76          2HB       GLU  76  -6.196   2.761  -7.632
  615   2HB   GLU  76          1HB       GLU  76  -7.796   2.952  -8.346
  616   1HG   GLU  76          2HG       GLU  76  -5.161   3.755  -9.601
  617   2HG   GLU  76          1HG       GLU  76  -6.202   2.422 -10.101
  618    H    ALA  77           H        ALA  77  -7.069   4.332  -5.232
  619    HA   ALA  77           HA       ALA  77  -9.996   4.249  -5.102
  620   1HB   ALA  77          2HB       ALA  77  -8.051   3.030  -3.646
  621   2HB   ALA  77          1HB       ALA  77  -8.381   4.419  -2.613
  622   3HB   ALA  77          3HB       ALA  77  -9.681   3.306  -3.027
  623    H    LYS  78           H        LYS  78  -7.454   6.343  -3.663
  624    HA   LYS  78           HA       LYS  78  -9.284   8.249  -2.603
  625   1HB   LYS  78          2HB       LYS  78  -7.394   9.391  -1.987
  626   2HB   LYS  78          1HB       LYS  78  -6.636   7.851  -2.356
  627   1HG   LYS  78          2HG       LYS  78  -5.284   9.149  -3.664
  628   2HG   LYS  78          1HG       LYS  78  -6.605   8.988  -4.821
  629   1HD   LYS  78          2HD       LYS  78  -6.071  11.335  -4.657
  630   2HD   LYS  78          1HD       LYS  78  -7.609  11.085  -3.830
  631   1HE   LYS  78          2HE       LYS  78  -6.363  12.425  -2.329
  632   2HE   LYS  78          1HE       LYS  78  -6.192  10.790  -1.690
  633   1HZ   LYS  78          3HZ       LYS  78  -4.218  11.554  -3.663
  634   2HZ   LYS  78          2HZ       LYS  78  -4.139  12.419  -2.204
  635   3HZ   LYS  78          1HZ       LYS  78  -4.024  10.724  -2.198
  636    H    ALA  79           H        ALA  79  -8.458   7.489  -5.800
  637    HA   ALA  79           HA       ALA  79  -9.001  10.166  -6.910
  638   1HB   ALA  79          2HB       ALA  79  -7.441   8.121  -7.790
  639   2HB   ALA  79          1HB       ALA  79  -8.934   7.773  -8.670
  640   3HB   ALA  79          3HB       ALA  79  -8.132   9.335  -8.867
  641    H    GLU  80           H        GLU  80 -10.260   6.946  -7.683
  642    HA   GLU  80           HA       GLU  80 -12.632   7.739  -8.908
  643   1HB   GLU  80          2HB       GLU  80 -12.354   5.282  -7.167
  644   2HB   GLU  80          1HB       GLU  80 -13.382   5.497  -8.583
  645   1HG   GLU  80          2HG       GLU  80 -10.660   6.098  -9.290
  646   2HG   GLU  80          1HG       GLU  80 -10.735   4.508  -8.530
  647    H    GLY  81           H        GLY  81 -12.335   6.706  -5.461
  648   1HA   GLY  81          2HA       GLY  81 -14.183   8.814  -4.651
  649   2HA   GLY  81          1HA       GLY  81 -14.948   7.223  -4.653
  650    H    ALA  82           H        ALA  82 -12.495   5.818  -3.855
  651    HA   ALA  82           HA       ALA  82 -12.765   5.516  -1.161
  652   1HB   ALA  82          3HB       ALA  82 -10.865   4.752  -3.021
  653   2HB   ALA  82          2HB       ALA  82  -9.921   5.668  -1.842
  654   3HB   ALA  82          1HB       ALA  82 -10.881   4.281  -1.322
  655    H    ASP  83           H        ASP  83 -11.956   6.477   0.736
  656    HA   ASP  83           HA       ASP  83 -11.071   9.310   0.414
  657   1HB   ASP  83          2HB       ASP  83 -12.468   7.845   2.669
  658   2HB   ASP  83          1HB       ASP  83 -11.763   9.450   2.874
  659    H    ILE  84           H        ILE  84  -9.010   7.825  -0.086
  660    HA   ILE  84           HA       ILE  84  -7.607   7.190   2.457
  661    HB   ILE  84           HB       ILE  84  -7.034   6.482  -0.431
  662   1HG1  ILE  84          2HG1      ILE  84  -7.409   4.464   1.690
  663   2HG1  ILE  84          1HG1      ILE  84  -8.840   5.402   1.269
  664   1HG2  ILE  84          1HG2      ILE  84  -4.977   6.848   1.063
  665   2HG2  ILE  84          3HG2      ILE  84  -5.575   5.496   2.026
  666   3HG2  ILE  84          2HG2      ILE  84  -5.129   5.248   0.335
  667   1HD1  ILE  84          2HD1      ILE  84  -7.332   4.556  -1.080
  668   2HD1  ILE  84          1HD1      ILE  84  -7.885   3.191  -0.109
  669   3HD1  ILE  84          3HD1      ILE  84  -9.048   4.367  -0.719
  670    H    THR  85           H        THR  85  -5.428   7.977   2.761
  671    HA   THR  85           HA       THR  85  -4.935  10.569   1.368
  672    HB   THR  85           HB       THR  85  -3.321  10.050   3.750
  673    HG1  THR  85           HG1      THR  85  -6.091  10.371   4.170
  674   1HG2  THR  85          3HG2      THR  85  -4.878  12.195   2.469
  675   2HG2  THR  85          2HG2      THR  85  -4.897  12.245   4.232
  676   3HG2  THR  85          1HG2      THR  85  -3.362  12.285   3.366
  677    H    ILE  86           H        ILE  86  -3.786   9.730  -0.408
  678    HA   ILE  86           HA       ILE  86  -1.605   7.842  -0.026
  679    HB   ILE  86           HB       ILE  86  -2.918   9.218  -2.304
  680   1HG1  ILE  86          2HG1      ILE  86  -3.040   7.040  -3.181
  681   2HG1  ILE  86          1HG1      ILE  86  -1.623   6.496  -2.289
  682   1HG2  ILE  86          3HG2      ILE  86   0.022   8.718  -2.200
  683   2HG2  ILE  86          2HG2      ILE  86  -0.821   8.253  -3.677
  684   3HG2  ILE  86          1HG2      ILE  86  -0.882   9.923  -3.117
  685   1HD1  ILE  86          3HD1      ILE  86  -3.792   7.411  -0.532
  686   2HD1  ILE  86          2HD1      ILE  86  -4.257   6.053  -1.550
  687   3HD1  ILE  86          1HD1      ILE  86  -2.865   5.910  -0.476
  688    H    ILE  87           H        ILE  87   0.010   8.672   1.241
  689    HA   ILE  87           HA       ILE  87   0.993  11.418   0.715
  690    HB   ILE  87           HB       ILE  87   2.104   9.435   2.707
  691   1HG1  ILE  87          2HG1      ILE  87  -0.244   9.558   3.205
  692   2HG1  ILE  87          1HG1      ILE  87   0.565  10.644   4.336
  693   1HG2  ILE  87          2HG2      ILE  87   2.240  12.406   2.267
  694   2HG2  ILE  87          1HG2      ILE  87   2.463  11.743   3.886
  695   3HG2  ILE  87          3HG2      ILE  87   3.551  11.270   2.581
  696   1HD1  ILE  87          2HD1      ILE  87  -0.660  11.535   1.712
  697   2HD1  ILE  87          1HD1      ILE  87  -1.476  11.649   3.271
  698   3HD1  ILE  87          3HD1      ILE  87  -0.001  12.571   2.978
  699    H    LEU  88           H        LEU  88   2.834  11.836  -0.436
  700    HA   LEU  88           HA       LEU  88   4.675   9.560  -1.013
  701   1HB   LEU  88          2HB       LEU  88   3.284  11.377  -2.968
  702   2HB   LEU  88          1HB       LEU  88   4.860  10.692  -3.366
  703    HG   LEU  88           HG       LEU  88   2.684   8.902  -2.327
  704   1HD1  LEU  88          2HD1      LEU  88   2.138  10.475  -4.463
  705   2HD1  LEU  88          1HD1      LEU  88   2.987   9.158  -5.272
  706   3HD1  LEU  88          3HD1      LEU  88   1.545   8.821  -4.313
  707   1HD2  LEU  88          2HD2      LEU  88   5.354   8.637  -3.321
  708   2HD2  LEU  88          1HD2      LEU  88   4.270   7.363  -2.762
  709   3HD2  LEU  88          3HD2      LEU  88   4.268   7.840  -4.459
  710    H    SER  89           HN       SER  89   6.844  10.151  -1.054
  711    HA   SER  89           HA       SER  89   7.893  12.729  -1.530
  712   1HB   SER  89          2HB       SER  89   8.395  13.427   0.837
  713   2HB   SER  89          1HB       SER  89   6.682  13.505   0.420
  714    HG   SER  89           HG       SER  89   6.290  11.806   1.670
   
  No H/Q in entry =         714
  Start of MODEL    7
    1   1H    LYS   1          2H        LYS   1  -8.492   5.041   8.359
    2   2H    LYS   1          1H        LYS   1  -8.503   3.509   7.623
    3   3H    LYS   1          3H        LYS   1  -9.394   3.772   9.043
    4    HA   LYS   1           HA       LYS   1  -7.543   3.805  10.391
    5   1HB   LYS   1          2HB       LYS   1  -7.839   1.691   8.534
    6   2HB   LYS   1          1HB       LYS   1  -6.106   2.001   8.653
    7   1HG   LYS   1          2HG       LYS   1  -6.775   2.138  11.272
    8   2HG   LYS   1          1HG       LYS   1  -7.992   0.990  10.711
    9   1HD   LYS   1          2HD       LYS   1  -6.127  -0.313   9.609
   10   2HD   LYS   1          1HD       LYS   1  -4.986   0.752  10.431
   11   1HE   LYS   1          2HE       LYS   1  -7.130  -0.671  11.992
   12   2HE   LYS   1          1HE       LYS   1  -5.629  -1.499  11.577
   13   1HZ   LYS   1          1HZ       LYS   1  -5.761   1.124  12.959
   14   2HZ   LYS   1          3HZ       LYS   1  -5.572  -0.362  13.755
   15   3HZ   LYS   1          2HZ       LYS   1  -4.373   0.184  12.682
   16    H    LYS   2           H        LYS   2  -4.900   3.360  10.055
   17    HA   LYS   2           HA       LYS   2  -3.982   5.513   8.198
   18   1HB   LYS   2          2HB       LYS   2  -3.871   6.586  10.296
   19   2HB   LYS   2          1HB       LYS   2  -3.352   5.117  11.120
   20   1HG   LYS   2          2HG       LYS   2  -1.169   5.506  10.660
   21   2HG   LYS   2          1HG       LYS   2  -1.517   5.940   8.985
   22   1HD   LYS   2          2HD       LYS   2  -2.411   8.157   9.890
   23   2HD   LYS   2          1HD       LYS   2  -1.675   7.712  11.431
   24   1HE   LYS   2          2HE       LYS   2   0.521   7.586  10.416
   25   2HE   LYS   2          1HE       LYS   2  -0.163   7.823   8.808
   26   1HZ   LYS   2          1HZ       LYS   2  -1.119   9.950  10.114
   27   2HZ   LYS   2          3HZ       LYS   2   0.375   9.757  10.891
   28   3HZ   LYS   2          2HZ       LYS   2   0.316   9.960   9.205
   29    H    ALA   3           H        ALA   3  -2.944   4.290   6.676
   30    HA   ALA   3           HA       ALA   3  -1.184   2.069   7.557
   31   1HB   ALA   3          3HB       ALA   3  -2.841   2.442   5.320
   32   2HB   ALA   3          2HB       ALA   3  -1.199   2.599   4.696
   33   3HB   ALA   3          1HB       ALA   3  -1.679   1.137   5.559
   34    H    VAL   4           H        VAL   4   1.065   2.186   7.309
   35    HA   VAL   4           HA       VAL   4   2.127   4.702   6.115
   36    HB   VAL   4           HB       VAL   4   2.970   3.471   8.756
   37   1HG1  VAL   4          1HG1      VAL   4   4.331   5.237   6.870
   38   2HG1  VAL   4          3HG1      VAL   4   4.152   5.977   8.461
   39   3HG1  VAL   4          2HG1      VAL   4   4.968   4.422   8.299
   40   1HG2  VAL   4          2HG2      VAL   4   1.187   5.693   7.950
   41   2HG2  VAL   4          1HG2      VAL   4   1.209   4.752   9.442
   42   3HG2  VAL   4          3HG2      VAL   4   2.340   6.087   9.225
   43    H    ILE   5           H        ILE   5   3.783   4.366   4.763
   44    HA   ILE   5           HA       ILE   5   4.887   1.621   4.543
   45    HB   ILE   5           HB       ILE   5   5.353   3.927   2.645
   46   1HG1  ILE   5          2HG1      ILE   5   2.832   3.211   3.298
   47   2HG1  ILE   5          1HG1      ILE   5   3.279   3.678   1.673
   48   1HG2  ILE   5          2HG2      ILE   5   5.866   1.024   2.704
   49   2HG2  ILE   5          1HG2      ILE   5   5.184   1.613   1.190
   50   3HG2  ILE   5          3HG2      ILE   5   6.686   2.302   1.805
   51   1HD1  ILE   5          2HD1      ILE   5   3.666   0.817   2.332
   52   2HD1  ILE   5          1HD1      ILE   5   1.994   1.372   2.263
   53   3HD1  ILE   5          3HD1      ILE   5   3.043   1.560   0.858
   54    H    ASN   6           H        ASN   6   6.895   1.242   5.339
   55    HA   ASN   6           HA       ASN   6   8.614   3.617   5.889
   56   1HB   ASN   6          2HB       ASN   6   9.125   0.977   7.200
   57   2HB   ASN   6          1HB       ASN   6   9.377   2.606   7.827
   58   1HD2  ASN   6          2HD2      ASN   6   6.441   2.256   9.711
   59   2HD2  ASN   6          1HD2      ASN   6   8.094   2.638   9.673
   60    H    GLY   7           H        GLY   7   9.949   3.734   4.113
   61   1HA   GLY   7          2HA       GLY   7  10.890   1.343   2.760
   62   2HA   GLY   7          1HA       GLY   7  11.413   2.998   2.419
   63    H    GLU   8           H        GLU   8  11.690   2.688   5.674
   64    HA   GLU   8           HA       GLU   8  14.564   2.069   5.438
   65   1HB   GLU   8          2HB       GLU   8  14.481   2.955   7.909
   66   2HB   GLU   8          1HB       GLU   8  14.418   4.091   6.559
   67   1HG   GLU   8          2HG       GLU   8  12.174   4.497   6.818
   68   2HG   GLU   8          1HG       GLU   8  11.867   2.916   7.528
   69    H    GLN   9           H        GLN   9  11.661   0.697   6.475
   70    HA   GLN   9           HA       GLN   9  13.134  -1.300   8.139
   71   1HB   GLN   9          2HB       GLN   9  11.107   0.207   9.041
   72   2HB   GLN   9          1HB       GLN   9  10.165  -1.083   8.290
   73   1HG   GLN   9          2HG       GLN   9  12.354  -1.459  10.356
   74   2HG   GLN   9          1HG       GLN   9  10.622  -1.619  10.647
   75   1HE2  GLN   9          2HE2      GLN   9  12.587  -4.821   9.363
   76   2HE2  GLN   9          1HE2      GLN   9  13.312  -3.478  10.107
   77    H    ILE  10           H        ILE  10  11.183  -0.743   5.385
   78    HA   ILE  10           HA       ILE  10  10.313  -3.490   5.009
   79    HB   ILE  10           HB       ILE  10  10.519  -1.171   3.061
   80   1HG1  ILE  10          2HG1      ILE  10   8.917  -1.044   5.072
   81   2HG1  ILE  10          1HG1      ILE  10   8.200  -0.818   3.478
   82   1HG2  ILE  10          2HG2      ILE  10   9.701  -4.020   2.763
   83   2HG2  ILE  10          1HG2      ILE  10   8.676  -2.817   1.980
   84   3HG2  ILE  10          3HG2      ILE  10  10.389  -2.915   1.573
   85   1HD1  ILE  10          2HD1      ILE  10   7.656  -3.297   3.492
   86   2HD1  ILE  10          1HD1      ILE  10   8.151  -3.316   5.184
   87   3HD1  ILE  10          3HD1      ILE  10   6.776  -2.337   4.679
   88    H    ARG  11           H        ARG  11  12.021  -4.898   4.967
   89    HA   ARG  11           HA       ARG  11  14.587  -4.358   3.801
   90   1HB   ARG  11          2HB       ARG  11  13.688  -7.180   3.710
   91   2HB   ARG  11          1HB       ARG  11  15.140  -6.485   4.433
   92   1HG   ARG  11          2HG       ARG  11  13.590  -5.532   6.240
   93   2HG   ARG  11          1HG       ARG  11  12.360  -6.623   5.591
   94   1HD   ARG  11          2HD       ARG  11  14.792  -8.102   5.901
   95   2HD   ARG  11          1HD       ARG  11  14.474  -7.243   7.410
   96    HE   ARG  11           HE       ARG  11  12.110  -8.583   6.360
   97   1HH1  ARG  11          1HH2      ARG  11  12.797  -8.241   9.273
   98   2HH1  ARG  11          2HH2      ARG  11  13.211  -9.859   9.732
   99   1HH2  ARG  11          2HH1      ARG  11  13.602 -10.967   6.470
  100   2HH2  ARG  11          1HH1      ARG  11  13.666 -11.402   8.145
  101    H    SER  12           H        SER  12  11.715  -6.028   2.559
  102    HA   SER  12           HA       SER  12  12.620  -5.355  -0.189
  103   1HB   SER  12          2HB       SER  12  12.805  -7.509  -0.945
  104   2HB   SER  12          1HB       SER  12  13.206  -7.822   0.741
  105    HG   SER  12           HG       SER  12  11.537  -9.193  -0.102
  106    H    ILE  13           H        ILE  13  10.846  -5.777  -1.789
  107    HA   ILE  13           HA       ILE  13   8.462  -4.505  -1.215
  108    HB   ILE  13           HB       ILE  13   9.225  -5.224  -3.465
  109   1HG1  ILE  13          2HG1      ILE  13   6.755  -4.653  -2.825
  110   2HG1  ILE  13          1HG1      ILE  13   7.081  -5.386  -4.392
  111   1HG2  ILE  13          1HG2      ILE  13   8.367  -7.929  -2.434
  112   2HG2  ILE  13          3HG2      ILE  13   8.596  -7.582  -4.147
  113   3HG2  ILE  13          2HG2      ILE  13   9.957  -7.456  -3.032
  114   1HD1  ILE  13          3HD1      ILE  13   6.647  -7.645  -3.239
  115   2HD1  ILE  13          2HD1      ILE  13   5.973  -6.700  -1.918
  116   3HD1  ILE  13          1HD1      ILE  13   5.257  -6.607  -3.521
  117    H    SER  14           H        SER  14   9.283  -7.881  -0.578
  118    HA   SER  14           HA       SER  14   6.758  -8.943   0.016
  119   1HB   SER  14          2HB       SER  14   9.308  -9.857   0.260
  120   2HB   SER  14          1HB       SER  14   8.892  -9.621   1.955
  121    HG   SER  14           HG       SER  14   7.686 -11.325   1.814
  122    H    ASP  15           H        ASP  15   8.938  -7.246   2.311
  123    HA   ASP  15           HA       ASP  15   7.078  -7.279   4.474
  124   1HB   ASP  15          2HB       ASP  15   9.679  -6.099   3.866
  125   2HB   ASP  15          1HB       ASP  15   8.688  -5.061   4.883
  126    H    LEU  16           H        LEU  16   7.317  -5.313   1.672
  127    HA   LEU  16           HA       LEU  16   5.975  -2.954   2.593
  128   1HB   LEU  16          2HB       LEU  16   7.156  -3.061   0.428
  129   2HB   LEU  16          1HB       LEU  16   5.990  -4.240  -0.158
  130    HG   LEU  16           HG       LEU  16   4.546  -2.616  -0.761
  131   1HD1  LEU  16          2HD1      LEU  16   4.981  -1.548   2.026
  132   2HD1  LEU  16          1HD1      LEU  16   4.077  -0.616   0.833
  133   3HD1  LEU  16          3HD1      LEU  16   3.512  -2.214   1.313
  134   1HD2  LEU  16          3HD2      LEU  16   7.006  -1.587  -0.977
  135   2HD2  LEU  16          2HD2      LEU  16   5.560  -0.684  -1.435
  136   3HD2  LEU  16          1HD2      LEU  16   6.312  -0.408   0.137
  137    H    HIS  17           H        HIS  17   4.726  -5.706   0.721
  138    HA   HIS  17           HA       HIS  17   1.981  -5.010   1.043
  139   1HB   HIS  17          2HB       HIS  17   3.273  -7.689   0.476
  140   2HB   HIS  17          1HB       HIS  17   1.549  -7.336   0.280
  141    HD1  HIS  17           HD1      HIS  17   0.988  -6.723  -2.072
  142    HD2  HIS  17           HD2      HIS  17   4.834  -5.499  -1.069
  143    HE1  HIS  17           HE1      HIS  17   1.945  -5.565  -4.123
  144    H    GLN  18           H        GLN  18   4.232  -6.343   3.205
  145    HA   GLN  18           HA       GLN  18   2.242  -7.675   4.899
  146   1HB   GLN  18          2HB       GLN  18   5.160  -6.972   5.319
  147   2HB   GLN  18          1HB       GLN  18   4.177  -7.793   6.532
  148   1HG   GLN  18          2HG       GLN  18   3.654  -9.546   4.780
  149   2HG   GLN  18          1HG       GLN  18   4.870  -8.783   3.756
  150   1HE2  GLN  18          2HE2      GLN  18   6.087 -10.811   7.120
  151   2HE2  GLN  18          1HE2      GLN  18   4.482 -10.270   7.010
  152    H    THR  19           H        THR  19   3.851  -4.640   4.582
  153    HA   THR  19           HA       THR  19   2.980  -3.508   7.100
  154    HB   THR  19           HB       THR  19   4.244  -2.450   4.590
  155    HG1  THR  19           HG1      THR  19   5.492  -3.318   6.291
  156   1HG2  THR  19          2HG2      THR  19   2.523  -0.921   6.410
  157   2HG2  THR  19          1HG2      THR  19   4.149  -0.252   6.261
  158   3HG2  THR  19          3HG2      THR  19   3.156  -0.482   4.822
  159    H    LEU  20           H        LEU  20   1.747  -3.647   3.849
  160    HA   LEU  20           HA       LEU  20  -0.502  -1.829   4.432
  161   1HB   LEU  20          2HB       LEU  20  -0.613  -3.713   2.108
  162   2HB   LEU  20          1HB       LEU  20  -1.106  -2.021   2.200
  163    HG   LEU  20           HG       LEU  20   1.767  -2.928   2.278
  164   1HD1  LEU  20          2HD1      LEU  20  -0.056  -2.730   0.055
  165   2HD1  LEU  20          1HD1      LEU  20   1.244  -1.551  -0.108
  166   3HD1  LEU  20          3HD1      LEU  20   1.626  -3.263   0.068
  167   1HD2  LEU  20          2HD2      LEU  20   0.960  -0.662   3.252
  168   2HD2  LEU  20          1HD2      LEU  20   2.313  -0.642   2.121
  169   3HD2  LEU  20          3HD2      LEU  20   0.695  -0.209   1.566
  170    H    LYS  21           H        LYS  21   0.223  -5.223   4.335
  171    HA   LYS  21           HA       LYS  21  -2.530  -6.115   4.677
  172   1HB   LYS  21          2HB       LYS  21  -0.947  -7.663   3.712
  173   2HB   LYS  21          1HB       LYS  21   0.145  -7.482   5.089
  174   1HG   LYS  21          2HG       LYS  21  -1.023  -8.965   6.342
  175   2HG   LYS  21          1HG       LYS  21  -2.574  -8.268   5.864
  176   1HD   LYS  21          2HD       LYS  21  -2.766  -9.630   3.992
  177   2HD   LYS  21          1HD       LYS  21  -1.022  -9.852   3.848
  178   1HE   LYS  21          2HE       LYS  21  -2.817 -11.070   5.966
  179   2HE   LYS  21          1HE       LYS  21  -2.033 -11.928   4.639
  180   1HZ   LYS  21          1HZ       LYS  21   0.029 -10.646   5.807
  181   2HZ   LYS  21          3HZ       LYS  21  -0.939 -11.024   7.147
  182   3HZ   LYS  21          2HZ       LYS  21  -0.406 -12.260   6.111
  183    H    LYS  22           H        LYS  22   0.006  -4.941   6.710
  184    HA   LYS  22           HA       LYS  22  -1.170  -6.018   9.180
  185   1HB   LYS  22          2HB       LYS  22   1.162  -5.867   9.347
  186   2HB   LYS  22          1HB       LYS  22   1.221  -4.329   8.490
  187   1HG   LYS  22          2HG       LYS  22   0.304  -3.155  10.392
  188   2HG   LYS  22          1HG       LYS  22  -0.003  -4.672  11.240
  189   1HD   LYS  22          2HD       LYS  22   2.215  -4.982  11.784
  190   2HD   LYS  22          1HD       LYS  22   2.793  -4.161  10.334
  191   1HE   LYS  22          2HE       LYS  22   1.745  -2.030  11.446
  192   2HE   LYS  22          1HE       LYS  22   1.859  -2.973  12.933
  193   1HZ   LYS  22          1HZ       LYS  22   4.271  -3.375  11.823
  194   2HZ   LYS  22          3HZ       LYS  22   3.952  -1.781  11.340
  195   3HZ   LYS  22          2HZ       LYS  22   3.936  -2.186  12.990
  196    H    GLU  23           H        GLU  23  -0.845  -2.836   7.583
  197    HA   GLU  23           HA       GLU  23  -2.363  -1.482   9.663
  198   1HB   GLU  23          2HB       GLU  23  -1.732  -0.535   6.860
  199   2HB   GLU  23          1HB       GLU  23  -2.228   0.471   8.221
  200   1HG   GLU  23          2HG       GLU  23   0.276  -1.233   8.228
  201   2HG   GLU  23          1HG       GLU  23   0.260   0.474   7.785
  202    H    LEU  24           H        LEU  24  -3.018  -2.380   6.327
  203    HA   LEU  24           HA       LEU  24  -5.799  -1.616   6.404
  204   1HB   LEU  24          2HB       LEU  24  -4.591  -3.666   4.535
  205   2HB   LEU  24          1HB       LEU  24  -5.955  -2.590   4.234
  206    HG   LEU  24           HG       LEU  24  -3.217  -1.477   4.829
  207   1HD1  LEU  24          3HD1      LEU  24  -4.270  -2.637   2.272
  208   2HD1  LEU  24          2HD1      LEU  24  -3.190  -1.244   2.216
  209   3HD1  LEU  24          1HD1      LEU  24  -2.652  -2.748   2.966
  210   1HD2  LEU  24          1HD2      LEU  24  -5.751  -0.373   4.468
  211   2HD2  LEU  24          3HD2      LEU  24  -4.217   0.493   4.412
  212   3HD2  LEU  24          2HD2      LEU  24  -4.943  -0.112   2.922
  213    H    ALA  25           H        ALA  25  -4.011  -4.404   7.413
  214    HA   ALA  25           HA       ALA  25  -4.727  -6.323   8.561
  215   1HB   ALA  25          2HB       ALA  25  -6.632  -4.359   9.150
  216   2HB   ALA  25          1HB       ALA  25  -7.580  -5.750   8.620
  217   3HB   ALA  25          3HB       ALA  25  -6.449  -5.914   9.964
  218    H    LEU  26           H        LEU  26  -4.435  -6.546   5.860
  219    HA   LEU  26           HA       LEU  26  -6.810  -7.554   4.539
  220   1HB   LEU  26          2HB       LEU  26  -3.928  -8.137   3.788
  221   2HB   LEU  26          1HB       LEU  26  -5.336  -8.103   2.727
  222    HG   LEU  26           HG       LEU  26  -4.292  -5.694   4.237
  223   1HD1  LEU  26          1HD1      LEU  26  -3.999  -6.556   1.351
  224   2HD1  LEU  26          3HD1      LEU  26  -3.679  -4.916   1.918
  225   3HD1  LEU  26          2HD1      LEU  26  -2.705  -6.261   2.514
  226   1HD2  LEU  26          2HD2      LEU  26  -6.804  -6.265   3.065
  227   2HD2  LEU  26          1HD2      LEU  26  -6.223  -4.702   3.637
  228   3HD2  LEU  26          3HD2      LEU  26  -5.978  -5.171   1.955
  229    HA   PRO  27           HA       PRO  27  -6.826 -11.702   5.914
  230   1HB   PRO  27          2HB       PRO  27  -7.458 -13.071   3.615
  231   2HB   PRO  27          1HB       PRO  27  -8.616 -12.079   4.524
  232   1HG   PRO  27          2HG       PRO  27  -7.235 -11.468   1.950
  233   2HG   PRO  27          1HG       PRO  27  -8.804 -10.895   2.545
  234   1HD   PRO  27          2HD       PRO  27  -6.397  -9.437   2.549
  235   2HD   PRO  27          1HD       PRO  27  -7.860  -9.016   3.464
  236    H    GLU  28           H        GLU  28  -6.084 -14.076   4.975
  237    HA   GLU  28           HA       GLU  28  -3.172 -13.899   4.845
  238   1HB   GLU  28          2HB       GLU  28  -4.252 -15.646   6.189
  239   2HB   GLU  28          1HB       GLU  28  -5.034 -16.292   4.744
  240   1HG   GLU  28          2HG       GLU  28  -2.545 -16.378   3.837
  241   2HG   GLU  28          1HG       GLU  28  -2.154 -16.417   5.557
  242    H    TYR  29           H        TYR  29  -5.776 -14.944   2.640
  243    HA   TYR  29           HA       TYR  29  -3.931 -15.789   0.577
  244   1HB   TYR  29          2HB       TYR  29  -6.027 -15.646  -0.890
  245   2HB   TYR  29          1HB       TYR  29  -6.089 -16.763   0.477
  246    HD1  TYR  29           HD2      TYR  29  -6.765 -13.137  -0.265
  247    HD2  TYR  29           HD1      TYR  29  -7.958 -16.684   1.848
  248    HE1  TYR  29           HE2      TYR  29  -8.760 -11.950   0.610
  249    HE2  TYR  29           HE1      TYR  29  -9.950 -15.494   2.724
  250    HH   TYR  29           HH       TYR  29 -10.613 -13.103   3.165
  251    H    TYR  30           H        TYR  30  -4.530 -12.753   1.735
  252    HA   TYR  30           HA       TYR  30  -5.002 -10.961  -0.271
  253   1HB   TYR  30          2HB       TYR  30  -4.268 -10.279   1.969
  254   2HB   TYR  30          1HB       TYR  30  -2.645 -10.882   1.639
  255    HD1  TYR  30           HD1      TYR  30  -4.685  -9.230  -0.946
  256    HD2  TYR  30           HD2      TYR  30  -1.564  -8.731   1.963
  257    HE1  TYR  30           HE1      TYR  30  -4.090  -7.044  -1.955
  258    HE2  TYR  30           HE2      TYR  30  -0.967  -6.551   0.953
  259    HH   TYR  30           HH       TYR  30  -1.417  -5.078  -0.633
  260    H    GLY  31           H        GLY  31  -4.418 -11.182  -2.381
  261   1HA   GLY  31          2HA       GLY  31  -2.153 -12.612  -3.331
  262   2HA   GLY  31          1HA       GLY  31  -3.063 -11.431  -4.279
  263    H    GLU  32           H        GLU  32  -2.534  -9.235  -2.407
  264    HA   GLU  32           HA       GLU  32  -0.823  -7.729  -1.787
  265   1HB   GLU  32          2HB       GLU  32   1.323  -8.461  -1.503
  266   2HB   GLU  32          1HB       GLU  32   0.596 -10.046  -1.754
  267   1HG   GLU  32          2HG       GLU  32   1.045  -9.380  -4.327
  268   2HG   GLU  32          1HG       GLU  32   2.334  -8.444  -3.569
  269    H    ASN  33           H        ASN  33  -1.384  -9.017  -4.927
  270    HA   ASN  33           HA       ASN  33   0.138  -6.995  -6.360
  271   1HB   ASN  33          2HB       ASN  33  -2.151  -8.289  -7.680
  272   2HB   ASN  33          1HB       ASN  33  -0.518  -8.048  -8.273
  273   1HD2  ASN  33          2HD2      ASN  33  -1.440 -11.466  -6.230
  274   2HD2  ASN  33          1HD2      ASN  33  -2.557 -10.190  -6.309
  275    H    LEU  34           H        LEU  34  -1.281  -5.664  -8.059
  276    HA   LEU  34           HA       LEU  34  -2.825  -3.817  -6.459
  277   1HB   LEU  34          2HB       LEU  34  -3.480  -2.970  -8.875
  278   2HB   LEU  34          1HB       LEU  34  -1.844  -2.731  -8.267
  279    HG   LEU  34           HG       LEU  34  -2.338  -5.314  -9.635
  280   1HD1  LEU  34          3HD1      LEU  34  -3.617  -3.645 -11.015
  281   2HD1  LEU  34          2HD1      LEU  34  -2.122  -2.730 -11.207
  282   3HD1  LEU  34          1HD1      LEU  34  -2.248  -4.362 -11.866
  283   1HD2  LEU  34          2HD2      LEU  34  -0.157  -3.870  -8.746
  284   2HD2  LEU  34          1HD2      LEU  34  -0.083  -5.200  -9.902
  285   3HD2  LEU  34          3HD2      LEU  34  -0.151  -3.534 -10.478
  286    H    ASP  35           H        ASP  35  -3.601  -6.795  -7.848
  287    HA   ASP  35           HA       ASP  35  -6.395  -6.176  -8.440
  288   1HB   ASP  35          2HB       ASP  35  -6.384  -8.853  -8.251
  289   2HB   ASP  35          1HB       ASP  35  -5.899  -8.006  -9.715
  290    H    ALA  36           H        ALA  36  -4.751  -8.202  -5.974
  291    HA   ALA  36           HA       ALA  36  -7.172  -8.488  -4.412
  292   1HB   ALA  36          1HB       ALA  36  -4.867  -9.877  -4.459
  293   2HB   ALA  36          3HB       ALA  36  -4.520  -8.806  -3.102
  294   3HB   ALA  36          2HB       ALA  36  -5.928  -9.868  -3.050
  295    H    LEU  37           H        LEU  37  -4.466  -6.323  -4.437
  296    HA   LEU  37           HA       LEU  37  -5.014  -5.023  -1.916
  297   1HB   LEU  37          2HB       LEU  37  -2.821  -4.847  -3.012
  298   2HB   LEU  37          1HB       LEU  37  -3.566  -4.014  -4.374
  299    HG   LEU  37           HG       LEU  37  -4.404  -2.665  -2.019
  300   1HD1  LEU  37          1HD1      LEU  37  -1.496  -3.455  -2.068
  301   2HD1  LEU  37          3HD1      LEU  37  -1.986  -1.909  -1.375
  302   3HD1  LEU  37          2HD1      LEU  37  -2.608  -3.415  -0.700
  303   1HD2  LEU  37          3HD2      LEU  37  -3.531  -2.091  -4.578
  304   2HD2  LEU  37          2HD2      LEU  37  -3.893  -0.890  -3.341
  305   3HD2  LEU  37          1HD2      LEU  37  -2.236  -1.438  -3.576
  306    H    TRP  38           H        TRP  38  -5.589  -4.012  -5.299
  307    HA   TRP  38           HA       TRP  38  -7.181  -1.735  -4.694
  308   1HB   TRP  38          2HB       TRP  38  -6.356  -2.185  -6.953
  309   2HB   TRP  38          1HB       TRP  38  -7.251  -3.693  -6.999
  310    HD1  TRP  38           HD1      TRP  38  -9.228  -3.532  -8.441
  311    HE1  TRP  38           HE1      TRP  38 -11.005  -1.765  -9.043
  312    HE3  TRP  38           HE3      TRP  38  -7.565   0.392  -5.626
  313    HZ2  TRP  38           HZ2      TRP  38 -11.621   0.955  -8.430
  314    HZ3  TRP  38           HZ3      TRP  38  -8.742   2.560  -5.680
  315    HH2  TRP  38           HH2      TRP  38 -10.776   2.847  -7.067
  316    H    ASP  39           H        ASP  39  -7.934  -5.127  -5.062
  317    HA   ASP  39           HA       ASP  39 -10.771  -4.915  -4.762
  318   1HB   ASP  39          2HB       ASP  39  -8.768  -7.065  -4.679
  319   2HB   ASP  39          1HB       ASP  39 -10.161  -7.350  -3.634
  320    H    ALA  40           H        ALA  40  -8.121  -4.968  -2.494
  321    HA   ALA  40           HA       ALA  40  -9.889  -5.264  -0.168
  322   1HB   ALA  40          3HB       ALA  40  -7.382  -5.948  -0.323
  323   2HB   ALA  40          2HB       ALA  40  -7.060  -4.239  -0.024
  324   3HB   ALA  40          1HB       ALA  40  -7.956  -5.188   1.162
  325    H    LEU  41           H        LEU  41  -7.572  -2.662  -0.952
  326    HA   LEU  41           HA       LEU  41  -8.434  -0.620   0.602
  327   1HB   LEU  41          2HB       LEU  41  -7.470  -0.660  -2.209
  328   2HB   LEU  41          1HB       LEU  41  -8.172   0.846  -1.622
  329    HG   LEU  41           HG       LEU  41  -6.213  -0.513   0.164
  330   1HD1  LEU  41          3HD1      LEU  41  -5.290  -0.603  -2.220
  331   2HD1  LEU  41          2HD1      LEU  41  -5.293   1.162  -2.189
  332   3HD1  LEU  41          1HD1      LEU  41  -4.293   0.257  -1.044
  333   1HD2  LEU  41          1HD2      LEU  41  -7.386   1.646   0.700
  334   2HD2  LEU  41          3HD2      LEU  41  -5.624   1.765   0.719
  335   3HD2  LEU  41          2HD2      LEU  41  -6.539   2.384  -0.661
  336    H    THR  42           H        THR  42  -9.789  -0.948  -2.645
  337    HA   THR  42           HA       THR  42 -12.181   0.536  -1.786
  338    HB   THR  42           HB       THR  42 -11.174   0.890  -4.042
  339    HG1  THR  42           HG1      THR  42 -13.662  -0.243  -4.548
  340   1HG2  THR  42          3HG2      THR  42 -11.535  -2.014  -4.114
  341   2HG2  THR  42          2HG2      THR  42 -12.169  -1.203  -5.546
  342   3HG2  THR  42          1HG2      THR  42 -10.479  -0.988  -5.085
  343    H    GLY  43           H        GLY  43 -12.170  -1.651  -0.235
  344   1HA   GLY  43          2HA       GLY  43 -14.591  -2.853  -0.340
  345   2HA   GLY  43          1HA       GLY  43 -13.692  -3.824  -1.508
  346    H    TRP  44           H        TRP  44 -12.266  -2.420   1.442
  347    HA   TRP  44           HA       TRP  44 -12.530  -4.769   3.073
  348   1HB   TRP  44          2HB       TRP  44 -11.068  -5.824   1.420
  349   2HB   TRP  44          1HB       TRP  44  -9.927  -4.485   1.553
  350    HD1  TRP  44           HD1      TRP  44  -9.002  -4.069   4.186
  351    HE1  TRP  44           HE1      TRP  44  -8.224  -5.859   5.865
  352    HE3  TRP  44           HE3      TRP  44 -11.229  -8.198   2.168
  353    HZ2  TRP  44           HZ2      TRP  44  -8.505  -8.676   6.298
  354    HZ3  TRP  44           HZ3      TRP  44 -10.956 -10.420   3.233
  355    HH2  TRP  44           HH2      TRP  44  -9.599 -10.663   5.293
  356    H    VAL  45           H        VAL  45 -10.546  -2.030   2.139
  357    HA   VAL  45           HA       VAL  45  -9.476  -1.626   4.821
  358    HB   VAL  45           HB       VAL  45  -9.302  -0.280   2.157
  359   1HG1  VAL  45          1HG1      VAL  45  -8.541   1.018   4.780
  360   2HG1  VAL  45          3HG1      VAL  45  -8.028   1.588   3.192
  361   3HG1  VAL  45          2HG1      VAL  45  -9.739   1.596   3.622
  362   1HG2  VAL  45          1HG2      VAL  45  -7.360  -1.314   4.233
  363   2HG2  VAL  45          3HG2      VAL  45  -7.659  -1.960   2.619
  364   3HG2  VAL  45          2HG2      VAL  45  -6.842  -0.409   2.810
  365    H    GLU  46           H        GLU  46  -9.867   0.481   5.971
  366    HA   GLU  46           HA       GLU  46 -12.716   1.334   5.657
  367   1HB   GLU  46          2HB       GLU  46 -12.288   0.197   7.796
  368   2HB   GLU  46          1HB       GLU  46 -10.970   1.319   8.140
  369   1HG   GLU  46          2HG       GLU  46 -12.485   3.187   8.253
  370   2HG   GLU  46          1HG       GLU  46 -13.823   2.208   7.646
  371    H    TYR  47           H        TYR  47 -13.001   3.432   5.082
  372    HA   TYR  47           HA       TYR  47 -10.648   5.253   5.271
  373   1HB   TYR  47          2HB       TYR  47 -13.135   5.480   3.548
  374   2HB   TYR  47          1HB       TYR  47 -11.708   6.514   3.453
  375    HD1  TYR  47           HD2      TYR  47  -9.444   4.718   3.656
  376    HD2  TYR  47           HD1      TYR  47 -13.203   4.123   1.645
  377    HE1  TYR  47           HE2      TYR  47  -8.376   3.074   2.134
  378    HE2  TYR  47           HE1      TYR  47 -12.120   2.489   0.126
  379    HH   TYR  47           HH       TYR  47  -9.177   1.097   0.723
  380    HA   PRO  48           HA       PRO  48 -10.894   7.681   4.528
  381   1HB   PRO  48          2HB       PRO  48  -9.745   9.612   6.114
  382   2HB   PRO  48          1HB       PRO  48 -11.224   9.856   5.164
  383   1HG   PRO  48          2HG       PRO  48 -10.929   9.406   8.108
  384   2HG   PRO  48          1HG       PRO  48 -12.162  10.329   7.230
  385   1HD   PRO  48          2HD       PRO  48 -12.542   7.763   8.275
  386   2HD   PRO  48          1HD       PRO  48 -13.531   8.493   6.989
  387    H    LEU  49           H        LEU  49  -8.902   6.854   4.169
  388    HA   LEU  49           HA       LEU  49  -7.474   5.619   6.473
  389   1HB   LEU  49          2HB       LEU  49  -7.850   3.971   4.858
  390   2HB   LEU  49          1HB       LEU  49  -7.628   5.095   3.521
  391    HG   LEU  49           HG       LEU  49  -5.164   5.229   4.256
  392   1HD1  LEU  49          3HD1      LEU  49  -5.776   4.074   6.498
  393   2HD1  LEU  49          2HD1      LEU  49  -5.790   2.581   5.562
  394   3HD1  LEU  49          1HD1      LEU  49  -4.313   3.535   5.676
  395   1HD2  LEU  49          2HD2      LEU  49  -6.635   3.184   2.788
  396   2HD2  LEU  49          1HD2      LEU  49  -5.132   4.008   2.364
  397   3HD2  LEU  49          3HD2      LEU  49  -5.096   2.585   3.407
  398    H    VAL  50           H        VAL  50  -5.072   5.793   6.449
  399    HA   VAL  50           HA       VAL  50  -4.143   8.334   5.167
  400    HB   VAL  50           HB       VAL  50  -3.955   7.372   7.981
  401   1HG1  VAL  50          1HG1      VAL  50  -1.636   8.585   6.484
  402   2HG1  VAL  50          3HG1      VAL  50  -1.867   8.914   8.202
  403   3HG1  VAL  50          2HG1      VAL  50  -1.627   7.258   7.647
  404   1HG2  VAL  50          1HG2      VAL  50  -5.250   9.385   7.011
  405   2HG2  VAL  50          3HG2      VAL  50  -4.286   9.663   8.463
  406   3HG2  VAL  50          2HG2      VAL  50  -3.674  10.167   6.887
  407    H    LEU  51           H        LEU  51  -3.118   7.305   3.404
  408    HA   LEU  51           HA       LEU  51  -1.302   5.037   3.896
  409   1HB   LEU  51          2HB       LEU  51  -2.643   5.114   1.826
  410   2HB   LEU  51          1HB       LEU  51  -1.874   6.646   1.388
  411    HG   LEU  51           HG       LEU  51   0.353   5.249   1.666
  412   1HD1  LEU  51          3HD1      LEU  51  -1.528   3.240   2.133
  413   2HD1  LEU  51          2HD1      LEU  51  -1.020   2.981   0.456
  414   3HD1  LEU  51          1HD1      LEU  51   0.178   3.001   1.758
  415   1HD2  LEU  51          1HD2      LEU  51  -1.054   6.208  -0.410
  416   2HD2  LEU  51          3HD2      LEU  51   0.426   5.275  -0.614
  417   3HD2  LEU  51          2HD2      LEU  51  -1.146   4.482  -0.768
  418    H    GLU  52           H        GLU  52  -0.159   6.739   5.450
  419    HA   GLU  52           HA       GLU  52   1.461   8.803   4.314
  420   1HB   GLU  52          2HB       GLU  52   1.077   8.720   6.710
  421   2HB   GLU  52          1HB       GLU  52   1.836   7.130   6.814
  422   1HG   GLU  52          2HG       GLU  52   3.964   7.980   6.623
  423   2HG   GLU  52          1HG       GLU  52   3.450   9.317   5.593
  424    H    TRP  53           H        TRP  53   2.406   7.815   2.368
  425    HA   TRP  53           HA       TRP  53   4.172   5.509   2.708
  426   1HB   TRP  53          2HB       TRP  53   2.853   6.300   0.550
  427   2HB   TRP  53          1HB       TRP  53   4.321   7.243   0.274
  428    HD1  TRP  53           HD1      TRP  53   6.642   5.547   0.941
  429    HE1  TRP  53           HE1      TRP  53   7.112   3.234  -0.092
  430    HE3  TRP  53           HE3      TRP  53   1.963   4.347  -0.689
  431    HZ2  TRP  53           HZ2      TRP  53   5.682   1.155  -1.430
  432    HZ3  TRP  53           HZ3      TRP  53   1.534   2.201  -1.833
  433    HH2  TRP  53           HH2      TRP  53   3.394   0.592  -2.204
  434    H    ARG  54           H        ARG  54   6.223   5.679   3.458
  435    HA   ARG  54           HA       ARG  54   7.551   8.348   3.322
  436   1HB   ARG  54          2HB       ARG  54   8.574   6.029   4.946
  437   2HB   ARG  54          1HB       ARG  54   8.780   7.757   5.230
  438   1HG   ARG  54          2HG       ARG  54   6.315   7.916   5.678
  439   2HG   ARG  54          1HG       ARG  54   6.226   6.159   5.557
  440   1HD   ARG  54          2HD       ARG  54   6.437   6.889   7.913
  441   2HD   ARG  54          1HD       ARG  54   7.832   5.935   7.407
  442    HE   ARG  54           HE       ARG  54   9.109   8.043   7.236
  443   1HH1  ARG  54          1HH2      ARG  54   6.448   9.669   7.127
  444   2HH1  ARG  54          2HH2      ARG  54   6.534  10.481   8.654
  445   1HH2  ARG  54          2HH1      ARG  54   9.041   8.435   9.900
  446   2HH2  ARG  54          1HH1      ARG  54   8.004   9.783  10.225
  447    H    GLN  55           H        GLN  55   9.715   8.470   2.510
  448    HA   GLN  55           HA       GLN  55  11.479   7.885   1.081
  449   1HB   GLN  55          2HB       GLN  55  10.703   5.133   2.081
  450   2HB   GLN  55          1HB       GLN  55  12.098   5.433   1.044
  451   1HG   GLN  55          2HG       GLN  55  11.668   6.871   3.671
  452   2HG   GLN  55          1HG       GLN  55  12.598   5.377   3.537
  453   1HE2  GLN  55          2HE2      GLN  55  15.235   7.831   3.138
  454   2HE2  GLN  55          1HE2      GLN  55  14.372   7.001   4.343
  455    H    PHE  56           H        PHE  56   9.743   4.892   0.440
  456    HA   PHE  56           HA       PHE  56   8.385   4.266  -1.394
  457   1HB   PHE  56          2HB       PHE  56   7.601   6.685  -1.478
  458   2HB   PHE  56          1HB       PHE  56   8.927   6.992  -2.599
  459    HD1  PHE  56           HD2      PHE  56   6.137   4.536  -2.092
  460    HD2  PHE  56           HD1      PHE  56   8.530   6.754  -4.878
  461    HE1  PHE  56           HE2      PHE  56   4.785   3.641  -3.959
  462    HE2  PHE  56           HE1      PHE  56   7.180   5.863  -6.749
  463    HZ   PHE  56           HZ       PHE  56   5.303   4.305  -6.294
  464    H    GLU  57           H        GLU  57  11.204   6.301  -2.247
  465    HA   GLU  57           HA       GLU  57  11.877   5.026  -4.671
  466   1HB   GLU  57          2HB       GLU  57  13.726   6.196  -2.567
  467   2HB   GLU  57          1HB       GLU  57  14.195   5.816  -4.225
  468   1HG   GLU  57          2HG       GLU  57  13.414   7.813  -4.900
  469   2HG   GLU  57          1HG       GLU  57  11.803   7.368  -4.337
  470    H    GLN  58           H        GLN  58  13.064   4.261  -1.377
  471    HA   GLN  58           HA       GLN  58  14.468   1.889  -2.274
  472   1HB   GLN  58          2HB       GLN  58  14.615   1.377   0.176
  473   2HB   GLN  58          1HB       GLN  58  15.196   2.989  -0.240
  474   1HG   GLN  58          2HG       GLN  58  12.530   3.466   0.211
  475   2HG   GLN  58          1HG       GLN  58  12.867   2.192   1.383
  476   1HE2  GLN  58          2HE2      GLN  58  15.140   5.614   1.717
  477   2HE2  GLN  58          1HE2      GLN  58  14.743   5.037   0.170
  478    H    SER  59           H        SER  59  13.823  -0.263  -2.110
  479    HA   SER  59           HA       SER  59  12.365  -2.096  -1.741
  480   1HB   SER  59          2HB       SER  59  11.459  -0.618   0.196
  481   2HB   SER  59          1HB       SER  59  10.180  -0.179  -0.938
  482    HG   SER  59           HG       SER  59  10.917  -2.855  -0.352
  483    H    LYS  60           H        LYS  60  11.517   0.781  -3.492
  484    HA   LYS  60           HA       LYS  60   9.377  -0.475  -5.039
  485   1HB   LYS  60          2HB       LYS  60   9.386   1.947  -4.635
  486   2HB   LYS  60          1HB       LYS  60  10.938   2.085  -5.469
  487   1HG   LYS  60          2HG       LYS  60   9.551   0.813  -7.389
  488   2HG   LYS  60          1HG       LYS  60   8.212   1.641  -6.593
  489   1HD   LYS  60          2HD       LYS  60   8.816   3.616  -7.489
  490   2HD   LYS  60          1HD       LYS  60  10.469   3.431  -6.897
  491   1HE   LYS  60          2HE       LYS  60  11.221   2.514  -8.870
  492   2HE   LYS  60          1HE       LYS  60   9.668   1.764  -9.236
  493   1HZ   LYS  60          2HZ       LYS  60   9.965   4.698  -9.253
  494   2HZ   LYS  60          1HZ       LYS  60  10.411   3.778 -10.610
  495   3HZ   LYS  60          3HZ       LYS  60   8.811   3.737 -10.048
  496    H    GLN  61           H        GLN  61  12.738   0.536  -5.668
  497    HA   GLN  61           HA       GLN  61  12.740  -0.691  -8.328
  498   1HB   GLN  61          2HB       GLN  61  14.914   0.518  -6.606
  499   2HB   GLN  61          1HB       GLN  61  15.194  -0.101  -8.234
  500   1HG   GLN  61          2HG       GLN  61  13.777   1.534  -9.218
  501   2HG   GLN  61          1HG       GLN  61  13.064   1.964  -7.662
  502   1HE2  GLN  61          2HE2      GLN  61  16.993   3.075  -7.822
  503   2HE2  GLN  61          1HE2      GLN  61  16.553   1.452  -8.056
  504    H    LEU  62           H        LEU  62  13.243  -1.679  -5.145
  505    HA   LEU  62           HA       LEU  62  15.142  -3.805  -5.609
  506   1HB   LEU  62          2HB       LEU  62  13.191  -3.214  -3.368
  507   2HB   LEU  62          1HB       LEU  62  14.307  -4.582  -3.337
  508    HG   LEU  62           HG       LEU  62  16.224  -3.104  -3.431
  509   1HD1  LEU  62          1HD1      LEU  62  14.160  -0.907  -3.799
  510   2HD1  LEU  62          3HD1      LEU  62  15.845  -0.598  -3.381
  511   3HD1  LEU  62          2HD1      LEU  62  15.446  -1.364  -4.916
  512   1HD2  LEU  62          3HD2      LEU  62  15.084  -3.457  -1.226
  513   2HD2  LEU  62          2HD2      LEU  62  15.963  -1.931  -1.318
  514   3HD2  LEU  62          1HD2      LEU  62  14.208  -1.949  -1.489
  515    H    THR  63           H        THR  63  11.987  -3.395  -6.574
  516    HA   THR  63           HA       THR  63  11.621  -6.340  -6.862
  517    HB   THR  63           HB       THR  63  10.191  -5.314  -5.021
  518    HG1  THR  63           HG1      THR  63   9.679  -7.164  -6.592
  519   1HG2  THR  63          3HG2      THR  63   9.790  -3.329  -6.877
  520   2HG2  THR  63          2HG2      THR  63   8.292  -4.253  -6.980
  521   3HG2  THR  63          1HG2      THR  63   8.806  -3.581  -5.435
  522    H    GLU  64           H        GLU  64   8.928  -5.522  -8.144
  523    HA   GLU  64           HA       GLU  64  10.073  -4.460 -10.695
  524   1HB   GLU  64          2HB       GLU  64   8.149  -5.919 -11.721
  525   2HB   GLU  64          1HB       GLU  64   9.656  -6.701 -11.238
  526   1HG   GLU  64          2HG       GLU  64   8.594  -7.180  -9.000
  527   2HG   GLU  64          1HG       GLU  64   7.070  -6.588  -9.662
  528    H    ASN  65           H        ASN  65   7.311  -4.654  -8.519
  529    HA   ASN  65           HA       ASN  65   6.428  -2.004  -9.069
  530   1HB   ASN  65          2HB       ASN  65   5.827  -3.418 -11.236
  531   2HB   ASN  65          1HB       ASN  65   4.466  -3.944 -10.245
  532   1HD2  ASN  65          2HD2      ASN  65   2.785  -1.023 -11.312
  533   2HD2  ASN  65          1HD2      ASN  65   2.803  -2.720 -11.287
  534    H    GLY  66           H        GLY  66   6.804  -3.213  -6.721
  535   1HA   GLY  66          2HA       GLY  66   4.188  -4.228  -5.752
  536   2HA   GLY  66          1HA       GLY  66   5.710  -4.271  -4.852
  537    H    ALA  67           H        ALA  67   6.630  -1.786  -4.819
  538    HA   ALA  67           HA       ALA  67   4.756  -0.378  -3.094
  539   1HB   ALA  67          3HB       ALA  67   7.532   0.169  -4.120
  540   2HB   ALA  67          2HB       ALA  67   6.621   1.447  -3.314
  541   3HB   ALA  67          1HB       ALA  67   6.992  -0.049  -2.456
  542    H    GLU  68           H        GLU  68   5.905  -0.010  -6.422
  543    HA   GLU  68           HA       GLU  68   4.637   2.542  -6.818
  544   1HB   GLU  68          2HB       GLU  68   6.476   0.997  -8.217
  545   2HB   GLU  68          1HB       GLU  68   5.045   0.986  -9.247
  546   1HG   GLU  68          2HG       GLU  68   5.870   3.590  -8.034
  547   2HG   GLU  68          1HG       GLU  68   6.824   2.968  -9.381
  548    H    SER  69           H        SER  69   3.703  -0.822  -7.439
  549    HA   SER  69           HA       SER  69   1.272  -0.054  -8.844
  550   1HB   SER  69          2HB       SER  69   0.868  -2.345  -9.080
  551   2HB   SER  69          1HB       SER  69   2.624  -2.304  -8.953
  552    HG   SER  69           HG       SER  69   1.853  -3.830  -7.521
  553    H    VAL  70           H        VAL  70   1.928  -1.303  -5.529
  554    HA   VAL  70           HA       VAL  70  -0.737  -1.335  -4.651
  555    HB   VAL  70           HB       VAL  70   1.726  -0.441  -3.108
  556   1HG1  VAL  70          1HG1      VAL  70  -1.130  -0.432  -2.451
  557   2HG1  VAL  70          3HG1      VAL  70  -0.183  -1.368  -1.303
  558   3HG1  VAL  70          2HG1      VAL  70   0.210   0.329  -1.588
  559   1HG2  VAL  70          2HG2      VAL  70   1.127  -2.949  -4.059
  560   2HG2  VAL  70          1HG2      VAL  70   2.082  -2.647  -2.608
  561   3HG2  VAL  70          3HG2      VAL  70   0.357  -2.991  -2.473
  562    H    LEU  71           H        LEU  71   1.563   1.226  -5.164
  563    HA   LEU  71           HA       LEU  71  -0.065   3.232  -3.952
  564   1HB   LEU  71          2HB       LEU  71   2.456   3.343  -4.383
  565   2HB   LEU  71          1HB       LEU  71   2.037   3.748  -6.048
  566    HG   LEU  71           HG       LEU  71   0.978   5.754  -5.416
  567   1HD1  LEU  71          3HD1      LEU  71   0.766   4.415  -2.756
  568   2HD1  LEU  71          2HD1      LEU  71   0.825   6.181  -2.790
  569   3HD1  LEU  71          1HD1      LEU  71  -0.458   5.322  -3.657
  570   1HD2  LEU  71          1HD2      LEU  71   3.557   5.489  -5.001
  571   2HD2  LEU  71          3HD2      LEU  71   2.735   6.959  -4.478
  572   3HD2  LEU  71          2HD2      LEU  71   3.106   5.692  -3.308
  573    H    GLN  72           H        GLN  72   0.404   2.182  -7.334
  574    HA   GLN  72           HA       GLN  72  -1.214   4.172  -8.527
  575   1HB   GLN  72          2HB       GLN  72  -0.488   1.365  -9.207
  576   2HB   GLN  72          1HB       GLN  72  -1.878   2.051 -10.048
  577   1HG   GLN  72          2HG       GLN  72  -0.422   4.053 -10.604
  578   2HG   GLN  72          1HG       GLN  72   0.949   3.130  -9.987
  579   1HE2  GLN  72          2HE2      GLN  72   0.382   0.569 -12.649
  580   2HE2  GLN  72          1HE2      GLN  72   0.390   0.553 -10.952
  581    H    VAL  73           H        VAL  73  -2.034   1.328  -6.711
  582    HA   VAL  73           HA       VAL  73  -4.902   1.511  -7.243
  583    HB   VAL  73           HB       VAL  73  -3.298  -0.127  -5.270
  584   1HG1  VAL  73          2HG1      VAL  73  -5.770   0.426  -4.692
  585   2HG1  VAL  73          1HG1      VAL  73  -6.154  -0.616  -6.059
  586   3HG1  VAL  73          3HG1      VAL  73  -5.272  -1.265  -4.683
  587   1HG2  VAL  73          1HG2      VAL  73  -3.550  -0.304  -8.015
  588   2HG2  VAL  73          3HG2      VAL  73  -3.126  -1.647  -6.951
  589   3HG2  VAL  73          2HG2      VAL  73  -4.807  -1.407  -7.449
  590    H    PHE  74           H        PHE  74  -2.838   2.210  -4.404
  591    HA   PHE  74           HA       PHE  74  -4.819   2.983  -2.613
  592   1HB   PHE  74          2HB       PHE  74  -1.945   3.546  -3.014
  593   2HB   PHE  74          1HB       PHE  74  -2.816   4.759  -2.097
  594    HD1  PHE  74           HD1      PHE  74  -3.907   4.201   0.036
  595    HD2  PHE  74           HD2      PHE  74  -1.672   1.291  -2.173
  596    HE1  PHE  74           HE1      PHE  74  -3.869   2.711   2.006
  597    HE2  PHE  74           HE2      PHE  74  -1.643  -0.198  -0.195
  598    HZ   PHE  74           HZ       PHE  74  -2.758   0.529   1.884
  599    H    ARG  75           H        ARG  75  -2.982   4.932  -4.921
  600    HA   ARG  75           HA       ARG  75  -4.460   7.339  -4.619
  601   1HB   ARG  75          2HB       ARG  75  -2.706   6.180  -6.759
  602   2HB   ARG  75          1HB       ARG  75  -3.676   7.602  -7.144
  603   1HG   ARG  75          2HG       ARG  75  -2.729   8.704  -5.080
  604   2HG   ARG  75          1HG       ARG  75  -1.633   7.331  -4.926
  605   1HD   ARG  75          2HD       ARG  75  -0.437   9.042  -6.119
  606   2HD   ARG  75          1HD       ARG  75  -0.870   7.803  -7.298
  607    HE   ARG  75           HE       ARG  75  -2.813   9.329  -7.917
  608   1HH1  ARG  75          1HH2      ARG  75  -0.982  10.855  -5.576
  609   2HH1  ARG  75          2HH2      ARG  75  -0.710  12.311  -6.474
  610   1HH2  ARG  75          2HH1      ARG  75  -2.041  11.055  -9.420
  611   2HH2  ARG  75          1HH1      ARG  75  -1.310  12.424  -8.651
  612    H    GLU  76           H        GLU  76  -4.920   4.504  -6.792
  613    HA   GLU  76           HA       GLU  76  -7.105   5.555  -8.290
  614   1HB   GLU  76          2HB       GLU  76  -6.211   2.816  -7.497
  615   2HB   GLU  76          1HB       GLU  76  -7.838   2.996  -8.149
  616   1HG   GLU  76          2HG       GLU  76  -5.267   3.878  -9.477
  617   2HG   GLU  76          1HG       GLU  76  -6.290   2.530  -9.966
  618    H    ALA  77           H        ALA  77  -6.903   4.439  -5.013
  619    HA   ALA  77           HA       ALA  77  -9.790   4.155  -4.644
  620   1HB   ALA  77          1HB       ALA  77  -7.956   2.896  -3.356
  621   2HB   ALA  77          3HB       ALA  77  -7.661   4.409  -2.497
  622   3HB   ALA  77          2HB       ALA  77  -9.230   3.614  -2.368
  623    H    LYS  78           H        LYS  78  -7.328   6.476  -3.391
  624    HA   LYS  78           HA       LYS  78  -9.302   8.259  -2.326
  625   1HB   LYS  78          2HB       LYS  78  -7.346   9.892  -2.418
  626   2HB   LYS  78          1HB       LYS  78  -7.079   8.431  -1.474
  627   1HG   LYS  78          2HG       LYS  78  -5.306   7.946  -2.766
  628   2HG   LYS  78          1HG       LYS  78  -6.369   7.859  -4.170
  629   1HD   LYS  78          2HD       LYS  78  -4.493   9.534  -4.398
  630   2HD   LYS  78          1HD       LYS  78  -6.106  10.218  -4.608
  631   1HE   LYS  78          2HE       LYS  78  -6.058  11.315  -2.559
  632   2HE   LYS  78          1HE       LYS  78  -4.895  10.186  -1.866
  633   1HZ   LYS  78          3HZ       LYS  78  -3.240  11.103  -3.456
  634   2HZ   LYS  78          2HZ       LYS  78  -4.369  12.300  -3.879
  635   3HZ   LYS  78          1HZ       LYS  78  -3.771  12.216  -2.291
  636    H    ALA  79           H        ALA  79  -8.456   7.498  -5.500
  637    HA   ALA  79           HA       ALA  79  -9.103  10.171  -6.606
  638   1HB   ALA  79          1HB       ALA  79  -7.327   8.366  -7.482
  639   2HB   ALA  79          3HB       ALA  79  -8.750   7.747  -8.326
  640   3HB   ALA  79          2HB       ALA  79  -8.206   9.406  -8.602
  641    H    GLU  80           H        GLU  80 -10.076   6.876  -7.437
  642    HA   GLU  80           HA       GLU  80 -12.448   7.438  -8.750
  643   1HB   GLU  80          2HB       GLU  80 -12.000   5.076  -6.908
  644   2HB   GLU  80          1HB       GLU  80 -13.082   5.161  -8.295
  645   1HG   GLU  80          2HG       GLU  80 -10.345   5.899  -8.986
  646   2HG   GLU  80          1HG       GLU  80 -10.468   4.252  -8.363
  647    H    GLY  81           H        GLY  81 -12.303   6.437  -5.279
  648   1HA   GLY  81          2HA       GLY  81 -14.297   8.495  -4.631
  649   2HA   GLY  81          1HA       GLY  81 -14.938   6.851  -4.577
  650    H    ALA  82           H        ALA  82 -12.513   5.617  -3.609
  651    HA   ALA  82           HA       ALA  82 -12.845   5.525  -0.898
  652   1HB   ALA  82          3HB       ALA  82 -10.981   4.511  -2.598
  653   2HB   ALA  82          2HB       ALA  82  -9.997   5.652  -1.679
  654   3HB   ALA  82          1HB       ALA  82 -10.880   4.374  -0.843
  655    H    ASP  83           H        ASP  83 -11.946   6.596   0.928
  656    HA   ASP  83           HA       ASP  83 -11.098   9.411   0.391
  657   1HB   ASP  83          2HB       ASP  83 -12.610   8.090   2.634
  658   2HB   ASP  83          1HB       ASP  83 -11.702   9.568   2.953
  659    H    ILE  84           H        ILE  84  -9.040   7.929  -0.041
  660    HA   ILE  84           HA       ILE  84  -7.616   7.347   2.496
  661    HB   ILE  84           HB       ILE  84  -7.093   6.647  -0.399
  662   1HG1  ILE  84          2HG1      ILE  84  -7.189   4.662   1.793
  663   2HG1  ILE  84          1HG1      ILE  84  -8.711   5.464   1.406
  664   1HG2  ILE  84          1HG2      ILE  84  -4.978   7.188   0.958
  665   2HG2  ILE  84          3HG2      ILE  84  -5.409   5.807   1.965
  666   3HG2  ILE  84          2HG2      ILE  84  -5.059   5.578   0.248
  667   1HD1  ILE  84          2HD1      ILE  84  -6.971   4.316  -0.764
  668   2HD1  ILE  84          1HD1      ILE  84  -8.113   3.300   0.113
  669   3HD1  ILE  84          3HD1      ILE  84  -8.694   4.683  -0.810
  670    H    THR  85           H        THR  85  -5.476   8.153   2.834
  671    HA   THR  85           HA       THR  85  -4.966  10.764   1.484
  672    HB   THR  85           HB       THR  85  -3.649   9.870   4.045
  673    HG1  THR  85           HG1      THR  85  -5.513  11.242   4.907
  674   1HG2  THR  85          1HG2      THR  85  -3.901  12.311   2.447
  675   2HG2  THR  85          3HG2      THR  85  -4.269  12.566   4.153
  676   3HG2  THR  85          2HG2      THR  85  -2.710  11.893   3.678
  677    H    ILE  86           H        ILE  86  -3.855   9.835  -0.308
  678    HA   ILE  86           HA       ILE  86  -1.667   7.967   0.095
  679    HB   ILE  86           HB       ILE  86  -3.037   9.258  -2.179
  680   1HG1  ILE  86          2HG1      ILE  86  -2.979   7.071  -3.068
  681   2HG1  ILE  86          1HG1      ILE  86  -1.556   6.630  -2.132
  682   1HG2  ILE  86          2HG2      ILE  86  -0.063   8.893  -2.160
  683   2HG2  ILE  86          1HG2      ILE  86  -0.950   8.484  -3.627
  684   3HG2  ILE  86          3HG2      ILE  86  -1.035  10.119  -2.974
  685   1HD1  ILE  86          3HD1      ILE  86  -3.661   7.414  -0.327
  686   2HD1  ILE  86          2HD1      ILE  86  -4.279   6.210  -1.452
  687   3HD1  ILE  86          1HD1      ILE  86  -2.860   5.845  -0.464
  688    H    ILE  87           H        ILE  87  -0.048   8.805   1.339
  689    HA   ILE  87           HA       ILE  87   0.973  11.526   0.730
  690    HB   ILE  87           HB       ILE  87   2.122   9.708   2.831
  691   1HG1  ILE  87          2HG1      ILE  87  -0.498  11.226   2.921
  692   2HG1  ILE  87          1HG1      ILE  87  -0.227   9.520   3.274
  693   1HG2  ILE  87          1HG2      ILE  87   2.554  12.353   2.006
  694   2HG2  ILE  87          3HG2      ILE  87   1.620  12.493   3.497
  695   3HG2  ILE  87          2HG2      ILE  87   3.145  11.606   3.490
  696   1HD1  ILE  87          1HD1      ILE  87   1.476  10.630   5.060
  697   2HD1  ILE  87          3HD1      ILE  87   0.260  11.905   4.975
  698   3HD1  ILE  87          2HD1      ILE  87  -0.208  10.268   5.438
  699    H    LEU  88           H        LEU  88   3.034  11.889  -0.111
  700    HA   LEU  88           HA       LEU  88   4.782   9.544  -0.609
  701   1HB   LEU  88          2HB       LEU  88   3.466  11.250  -2.701
  702   2HB   LEU  88          1HB       LEU  88   5.076  10.596  -3.007
  703    HG   LEU  88           HG       LEU  88   3.044   8.710  -1.924
  704   1HD1  LEU  88          2HD1      LEU  88   2.049  10.229  -3.839
  705   2HD1  LEU  88          1HD1      LEU  88   3.065   9.230  -4.880
  706   3HD1  LEU  88          3HD1      LEU  88   1.813   8.482  -3.889
  707   1HD2  LEU  88          2HD2      LEU  88   5.619   8.605  -3.065
  708   2HD2  LEU  88          1HD2      LEU  88   4.592   7.235  -2.644
  709   3HD2  LEU  88          3HD2      LEU  88   4.540   7.909  -4.273
  710    H    SER  89           HN       SER  89   4.446  13.054  -1.255
  711    HA   SER  89           HA       SER  89   6.033  14.776  -1.066
  712   1HB   SER  89          2HB       SER  89   6.834  12.933   1.199
  713   2HB   SER  89          1HB       SER  89   7.579  14.512   0.940
  714    HG   SER  89           HG       SER  89   5.916  15.276   1.959
   
  No H/Q in entry =         714
  Start of MODEL    8
    1   1H    LYS   1          2H        LYS   1  -8.855   5.238   8.724
    2   2H    LYS   1          1H        LYS   1  -8.939   4.007   7.557
    3   3H    LYS   1          3H        LYS   1  -9.783   3.846   9.019
    4    HA   LYS   1           HA       LYS   1  -7.842   3.531  10.263
    5   1HB   LYS   1          2HB       LYS   1  -8.428   1.917   7.981
    6   2HB   LYS   1          1HB       LYS   1  -6.674   1.997   8.146
    7   1HG   LYS   1          2HG       LYS   1  -6.911   0.381   9.713
    8   2HG   LYS   1          1HG       LYS   1  -7.513   1.667  10.760
    9   1HD   LYS   1          2HD       LYS   1  -9.240   0.083  10.863
   10   2HD   LYS   1          1HD       LYS   1  -9.811   1.190   9.615
   11   1HE   LYS   1          2HE       LYS   1  -9.634  -0.377   7.984
   12   2HE   LYS   1          1HE       LYS   1  -8.078  -0.952   8.586
   13   1HZ   LYS   1          2HZ       LYS   1  -9.608  -1.851  10.509
   14   2HZ   LYS   1          1HZ       LYS   1 -10.780  -1.825   9.279
   15   3HZ   LYS   1          3HZ       LYS   1  -9.365  -2.738   9.080
   16    H    LYS   2           H        LYS   2  -5.309   3.103   9.869
   17    HA   LYS   2           HA       LYS   2  -4.264   5.358   8.218
   18   1HB   LYS   2          2HB       LYS   2  -3.774   6.377  10.187
   19   2HB   LYS   2          1HB       LYS   2  -4.046   4.905  11.114
   20   1HG   LYS   2          2HG       LYS   2  -1.714   5.593  11.345
   21   2HG   LYS   2          1HG       LYS   2  -1.785   4.097  10.412
   22   1HD   LYS   2          2HD       LYS   2  -0.627   5.141   8.788
   23   2HD   LYS   2          1HD       LYS   2  -2.039   6.163   8.523
   24   1HE   LYS   2          2HE       LYS   2  -1.233   7.791  10.135
   25   2HE   LYS   2          1HE       LYS   2   0.111   6.739  10.579
   26   1HZ   LYS   2          1HZ       LYS   2   0.147   7.066   7.806
   27   2HZ   LYS   2          3HZ       LYS   2  -0.018   8.607   8.494
   28   3HZ   LYS   2          2HZ       LYS   2   1.286   7.613   8.942
   29    H    ALA   3           H        ALA   3  -2.322   4.936   7.144
   30    HA   ALA   3           HA       ALA   3  -1.104   2.249   7.565
   31   1HB   ALA   3          2HB       ALA   3  -2.564   3.168   5.241
   32   2HB   ALA   3          1HB       ALA   3  -0.884   2.842   4.814
   33   3HB   ALA   3          3HB       ALA   3  -1.867   1.578   5.552
   34    H    VAL   4           H        VAL   4   1.144   2.220   7.242
   35    HA   VAL   4           HA       VAL   4   2.415   4.764   6.380
   36    HB   VAL   4           HB       VAL   4   2.957   3.262   8.953
   37   1HG1  VAL   4          3HG1      VAL   4   4.811   4.614   7.233
   38   2HG1  VAL   4          2HG1      VAL   4   4.594   5.580   8.692
   39   3HG1  VAL   4          1HG1      VAL   4   5.111   3.898   8.816
   40   1HG2  VAL   4          3HG2      VAL   4   1.492   5.641   8.224
   41   2HG2  VAL   4          2HG2      VAL   4   1.649   4.887   9.810
   42   3HG2  VAL   4          1HG2      VAL   4   2.839   6.074   9.276
   43    H    ILE   5           H        ILE   5   3.802   4.278   4.802
   44    HA   ILE   5           HA       ILE   5   4.866   1.524   4.569
   45    HB   ILE   5           HB       ILE   5   5.256   3.801   2.623
   46   1HG1  ILE   5          2HG1      ILE   5   2.775   3.258   3.388
   47   2HG1  ILE   5          1HG1      ILE   5   3.146   3.502   1.693
   48   1HG2  ILE   5          2HG2      ILE   5   5.757   0.913   2.686
   49   2HG2  ILE   5          1HG2      ILE   5   4.903   1.439   1.236
   50   3HG2  ILE   5          3HG2      ILE   5   6.459   2.157   1.650
   51   1HD1  ILE   5          3HD1      ILE   5   3.520   0.724   2.539
   52   2HD1  ILE   5          2HD1      ILE   5   1.866   1.296   2.751
   53   3HD1  ILE   5          1HD1      ILE   5   2.628   1.374   1.162
   54    H    ASN   6           H        ASN   6   6.890   1.135   5.319
   55    HA   ASN   6           HA       ASN   6   8.719   3.481   5.597
   56   1HB   ASN   6          2HB       ASN   6   9.161   0.970   7.159
   57   2HB   ASN   6          1HB       ASN   6   9.497   2.645   7.612
   58   1HD2  ASN   6          2HD2      ASN   6   6.412   1.309   9.407
   59   2HD2  ASN   6          1HD2      ASN   6   7.969   0.661   9.212
   60    H    GLY   7           H        GLY   7   9.928   3.327   3.719
   61   1HA   GLY   7          2HA       GLY   7  10.719   0.805   2.565
   62   2HA   GLY   7          1HA       GLY   7  11.363   2.389   2.114
   63    H    GLU   8           H        GLU   8  11.757   2.467   5.301
   64    HA   GLU   8           HA       GLU   8  14.565   1.678   5.100
   65   1HB   GLU   8          2HB       GLU   8  14.022   3.738   6.298
   66   2HB   GLU   8          1HB       GLU   8  12.971   2.844   7.398
   67   1HG   GLU   8          2HG       GLU   8  14.723   2.311   8.702
   68   2HG   GLU   8          1HG       GLU   8  15.563   1.592   7.328
   69    H    GLN   9           H        GLN   9  11.652   0.228   6.010
   70    HA   GLN   9           HA       GLN   9  13.122  -1.876   7.538
   71   1HB   GLN   9          2HB       GLN   9  11.319  -0.526   8.773
   72   2HB   GLN   9          1HB       GLN   9  10.157  -1.345   7.727
   73   1HG   GLN   9          2HG       GLN   9  10.210  -2.776   9.570
   74   2HG   GLN   9          1HG       GLN   9  11.410  -3.519   8.512
   75   1HE2  GLN   9          2HE2      GLN   9  13.605  -3.366  11.290
   76   2HE2  GLN   9          1HE2      GLN   9  12.734  -4.371  10.236
   77    H    ILE  10           H        ILE  10  11.143  -1.133   4.845
   78    HA   ILE  10           HA       ILE  10  10.191  -3.833   4.350
   79    HB   ILE  10           HB       ILE  10  10.431  -1.425   2.525
   80   1HG1  ILE  10          2HG1      ILE  10   8.855  -1.229   4.460
   81   2HG1  ILE  10          1HG1      ILE  10   8.025  -1.214   2.905
   82   1HG2  ILE  10          3HG2      ILE  10   9.639  -4.236   2.049
   83   2HG2  ILE  10          2HG2      ILE  10   8.519  -3.025   1.423
   84   3HG2  ILE  10          1HG2      ILE  10  10.206  -3.017   0.908
   85   1HD1  ILE  10          1HD1      ILE  10   7.984  -3.855   3.350
   86   2HD1  ILE  10          3HD1      ILE  10   8.046  -3.308   5.025
   87   3HD1  ILE  10          2HD1      ILE  10   6.730  -2.786   3.975
   88    H    ARG  11           H        ARG  11  11.870  -5.294   4.222
   89    HA   ARG  11           HA       ARG  11  14.395  -4.781   2.935
   90   1HB   ARG  11          2HB       ARG  11  13.439  -7.583   2.858
   91   2HB   ARG  11          1HB       ARG  11  14.938  -6.925   3.517
   92   1HG   ARG  11          2HG       ARG  11  13.522  -5.995   5.428
   93   2HG   ARG  11          1HG       ARG  11  12.216  -7.014   4.816
   94   1HD   ARG  11          2HD       ARG  11  13.260  -8.380   6.434
   95   2HD   ARG  11          1HD       ARG  11  13.960  -8.935   4.913
   96    HE   ARG  11           HE       ARG  11  15.473  -6.827   6.307
   97   1HH1  ARG  11          2HH1      ARG  11  16.491  -8.911   4.301
   98   2HH1  ARG  11          1HH1      ARG  11  17.414  -9.941   5.345
   99   1HH2  ARG  11          1HH2      ARG  11  16.005  -8.697   8.258
  100   2HH2  ARG  11          2HH2      ARG  11  17.138  -9.819   7.585
  101    H    SER  12           H        SER  12  11.395  -6.325   1.874
  102    HA   SER  12           HA       SER  12  12.118  -5.683  -0.933
  103   1HB   SER  12          2HB       SER  12  12.901  -8.016  -0.516
  104   2HB   SER  12          1HB       SER  12  11.261  -8.458  -0.052
  105    HG   SER  12           HG       SER  12  12.345  -7.914  -2.548
  106    H    ILE  13           H        ILE  13  10.151  -6.109  -2.384
  107    HA   ILE  13           HA       ILE  13   7.903  -4.701  -1.513
  108    HB   ILE  13           HB       ILE  13   8.328  -5.311  -3.880
  109   1HG1  ILE  13          2HG1      ILE  13   5.991  -5.764  -4.483
  110   2HG1  ILE  13          1HG1      ILE  13   5.659  -6.324  -2.844
  111   1HG2  ILE  13          3HG2      ILE  13   7.983  -8.017  -2.717
  112   2HG2  ILE  13          2HG2      ILE  13   7.237  -7.760  -4.294
  113   3HG2  ILE  13          1HG2      ILE  13   8.969  -7.498  -4.083
  114   1HD1  ILE  13          2HD1      ILE  13   6.575  -3.528  -3.582
  115   2HD1  ILE  13          1HD1      ILE  13   4.921  -3.981  -3.168
  116   3HD1  ILE  13          3HD1      ILE  13   6.197  -4.097  -1.957
  117    H    SER  14           H        SER  14   8.789  -7.993  -0.833
  118    HA   SER  14           HA       SER  14   6.247  -9.078  -0.172
  119   1HB   SER  14          2HB       SER  14   7.911 -10.275   1.636
  120   2HB   SER  14          1HB       SER  14   7.759 -10.774  -0.045
  121    HG   SER  14           HG       SER  14   9.545  -8.749   0.811
  122    H    ASP  15           H        ASP  15   8.614  -7.381   1.912
  123    HA   ASP  15           HA       ASP  15   6.971  -7.457   4.253
  124   1HB   ASP  15          2HB       ASP  15   9.481  -6.223   3.403
  125   2HB   ASP  15          1HB       ASP  15   8.565  -5.205   4.507
  126    H    LEU  16           H        LEU  16   6.910  -5.543   1.416
  127    HA   LEU  16           HA       LEU  16   5.573  -3.217   2.486
  128   1HB   LEU  16          2HB       LEU  16   6.728  -3.384   0.229
  129   2HB   LEU  16          1HB       LEU  16   5.355  -4.332  -0.321
  130    HG   LEU  16           HG       LEU  16   4.131  -2.471  -0.685
  131   1HD1  LEU  16          1HD1      LEU  16   5.000  -1.516   2.061
  132   2HD1  LEU  16          3HD1      LEU  16   3.826  -0.686   1.039
  133   3HD1  LEU  16          2HD1      LEU  16   3.473  -2.302   1.654
  134   1HD2  LEU  16          2HD2      LEU  16   6.882  -1.607  -0.438
  135   2HD2  LEU  16          1HD2      LEU  16   5.650  -1.086  -1.588
  136   3HD2  LEU  16          3HD2      LEU  16   5.774  -0.303  -0.013
  137    H    HIS  17           H        HIS  17   4.325  -5.928   0.524
  138    HA   HIS  17           HA       HIS  17   1.588  -5.393   0.885
  139   1HB   HIS  17          2HB       HIS  17   3.024  -8.036   0.548
  140   2HB   HIS  17          1HB       HIS  17   1.271  -7.842   0.420
  141    HD1  HIS  17           HD1      HIS  17   0.421  -6.210  -1.527
  142    HD2  HIS  17           HD2      HIS  17   4.446  -7.271  -1.736
  143    HE1  HIS  17           HE1      HIS  17   1.201  -5.601  -3.858
  144    H    GLN  18           H        GLN  18   3.897  -6.621   3.108
  145    HA   GLN  18           HA       GLN  18   1.924  -7.783   4.928
  146   1HB   GLN  18          2HB       GLN  18   4.856  -7.110   5.291
  147   2HB   GLN  18          1HB       GLN  18   3.870  -7.921   6.509
  148   1HG   GLN  18          2HG       GLN  18   3.306  -9.583   4.561
  149   2HG   GLN  18          1HG       GLN  18   4.774  -8.937   3.828
  150   1HE2  GLN  18          2HE2      GLN  18   6.733 -10.074   6.795
  151   2HE2  GLN  18          1HE2      GLN  18   6.444  -8.581   6.042
  152    H    THR  19           H        THR  19   3.734  -4.825   4.599
  153    HA   THR  19           HA       THR  19   2.910  -3.616   7.069
  154    HB   THR  19           HB       THR  19   3.965  -2.513   4.466
  155    HG1  THR  19           HG1      THR  19   5.382  -3.556   5.929
  156   1HG2  THR  19          3HG2      THR  19   2.461  -1.088   6.480
  157   2HG2  THR  19          2HG2      THR  19   4.125  -0.507   6.441
  158   3HG2  THR  19          1HG2      THR  19   3.149  -0.482   4.972
  159    H    LEU  20           H        LEU  20   1.518  -3.823   3.895
  160    HA   LEU  20           HA       LEU  20  -0.647  -1.937   4.489
  161   1HB   LEU  20          2HB       LEU  20  -0.869  -3.990   2.310
  162   2HB   LEU  20          1HB       LEU  20  -1.401  -2.306   2.313
  163    HG   LEU  20           HG       LEU  20   1.459  -3.250   2.226
  164   1HD1  LEU  20          1HD1      LEU  20  -0.374  -2.078   0.134
  165   2HD1  LEU  20          3HD1      LEU  20   1.379  -2.153  -0.052
  166   3HD1  LEU  20          2HD1      LEU  20   0.442  -3.641   0.093
  167   1HD2  LEU  20          1HD2      LEU  20   0.809  -1.019   3.418
  168   2HD2  LEU  20          3HD2      LEU  20   2.114  -0.993   2.232
  169   3HD2  LEU  20          2HD2      LEU  20   0.504  -0.435   1.782
  170    H    LYS  21           H        LYS  21  -0.086  -5.399   4.417
  171    HA   LYS  21           HA       LYS  21  -2.764  -6.240   5.009
  172   1HB   LYS  21          2HB       LYS  21  -0.033  -7.434   5.292
  173   2HB   LYS  21          1HB       LYS  21  -1.368  -8.181   6.175
  174   1HG   LYS  21          2HG       LYS  21  -2.301  -7.650   3.555
  175   2HG   LYS  21          1HG       LYS  21  -0.724  -8.430   3.407
  176   1HD   LYS  21          2HD       LYS  21  -2.729  -9.514   5.363
  177   2HD   LYS  21          1HD       LYS  21  -2.883  -9.910   3.657
  178   1HE   LYS  21          2HE       LYS  21  -0.356 -10.335   5.274
  179   2HE   LYS  21          1HE       LYS  21  -1.550 -11.596   4.954
  180   1HZ   LYS  21          2HZ       LYS  21  -1.203 -11.242   2.576
  181   2HZ   LYS  21          1HZ       LYS  21  -0.009 -10.081   2.914
  182   3HZ   LYS  21          3HZ       LYS  21   0.235 -11.701   3.355
  183    H    LYS  22           H        LYS  22  -0.202  -4.858   6.933
  184    HA   LYS  22           HA       LYS  22  -1.431  -5.602   9.493
  185   1HB   LYS  22          2HB       LYS  22   0.926  -5.435   9.585
  186   2HB   LYS  22          1HB       LYS  22   0.942  -3.925   8.677
  187   1HG   LYS  22          2HG       LYS  22  -0.069  -2.735  10.546
  188   2HG   LYS  22          1HG       LYS  22  -0.239  -4.241  11.451
  189   1HD   LYS  22          2HD       LYS  22   2.245  -4.514  11.382
  190   2HD   LYS  22          1HD       LYS  22   2.363  -2.937  10.600
  191   1HE   LYS  22          2HE       LYS  22   0.809  -2.288  12.724
  192   2HE   LYS  22          1HE       LYS  22   1.749  -3.606  13.425
  193   1HZ   LYS  22          1HZ       LYS  22   3.605  -2.173  12.074
  194   2HZ   LYS  22          3HZ       LYS  22   2.581  -0.961  12.673
  195   3HZ   LYS  22          2HZ       LYS  22   3.305  -2.064  13.744
  196    H    GLU  23           H        GLU  23  -0.964  -2.560   7.652
  197    HA   GLU  23           HA       GLU  23  -2.500  -0.977   9.509
  198   1HB   GLU  23          2HB       GLU  23  -1.956  -0.409   6.589
  199   2HB   GLU  23          1HB       GLU  23  -2.390   0.768   7.828
  200   1HG   GLU  23          2HG       GLU  23   0.102  -0.951   7.951
  201   2HG   GLU  23          1HG       GLU  23   0.076   0.688   7.300
  202    H    LEU  24           H        LEU  24  -3.246  -1.987   6.228
  203    HA   LEU  24           HA       LEU  24  -6.016  -1.336   6.316
  204   1HB   LEU  24          2HB       LEU  24  -4.825  -3.556   4.641
  205   2HB   LEU  24          1HB       LEU  24  -6.209  -2.533   4.260
  206    HG   LEU  24           HG       LEU  24  -3.523  -1.263   4.703
  207   1HD1  LEU  24          3HD1      LEU  24  -4.463  -2.711   2.227
  208   2HD1  LEU  24          2HD1      LEU  24  -3.214  -1.467   2.190
  209   3HD1  LEU  24          1HD1      LEU  24  -2.957  -2.947   3.115
  210   1HD2  LEU  24          1HD2      LEU  24  -5.570   0.104   4.492
  211   2HD2  LEU  24          3HD2      LEU  24  -4.457   0.389   3.158
  212   3HD2  LEU  24          2HD2      LEU  24  -5.881  -0.621   2.914
  213    H    ALA  25           H        ALA  25  -4.180  -4.104   7.397
  214    HA   ALA  25           HA       ALA  25  -4.871  -5.833   8.845
  215   1HB   ALA  25          3HB       ALA  25  -6.836  -3.880   9.173
  216   2HB   ALA  25          2HB       ALA  25  -7.742  -5.338   8.766
  217   3HB   ALA  25          1HB       ALA  25  -6.648  -5.337  10.149
  218    H    LEU  26           H        LEU  26  -4.450  -6.470   6.265
  219    HA   LEU  26           HA       LEU  26  -6.824  -7.724   5.084
  220   1HB   LEU  26          2HB       LEU  26  -3.961  -8.164   4.223
  221   2HB   LEU  26          1HB       LEU  26  -5.427  -8.259   3.243
  222    HG   LEU  26           HG       LEU  26  -4.470  -5.701   4.551
  223   1HD1  LEU  26          3HD1      LEU  26  -3.505  -7.069   2.198
  224   2HD1  LEU  26          2HD1      LEU  26  -4.284  -5.558   1.731
  225   3HD1  LEU  26          1HD1      LEU  26  -2.955  -5.543   2.891
  226   1HD2  LEU  26          3HD2      LEU  26  -6.952  -6.427   3.527
  227   2HD2  LEU  26          2HD2      LEU  26  -6.372  -4.775   3.737
  228   3HD2  LEU  26          1HD2      LEU  26  -6.188  -5.582   2.181
  229    HA   PRO  27           HA       PRO  27  -6.214 -11.729   6.776
  230   1HB   PRO  27          2HB       PRO  27  -7.175 -13.262   4.711
  231   2HB   PRO  27          1HB       PRO  27  -8.216 -12.288   5.769
  232   1HG   PRO  27          2HG       PRO  27  -7.421 -11.784   2.945
  233   2HG   PRO  27          1HG       PRO  27  -8.848 -11.214   3.827
  234   1HD   PRO  27          2HD       PRO  27  -6.495  -9.713   3.257
  235   2HD   PRO  27          1HD       PRO  27  -7.823  -9.231   4.336
  236    H    GLU  28           H        GLU  28  -5.575 -14.101   5.574
  237    HA   GLU  28           HA       GLU  28  -2.731 -13.758   4.977
  238   1HB   GLU  28          2HB       GLU  28  -3.457 -15.629   6.374
  239   2HB   GLU  28          1HB       GLU  28  -4.503 -16.220   5.078
  240   1HG   GLU  28          2HG       GLU  28  -2.443 -16.422   3.630
  241   2HG   GLU  28          1HG       GLU  28  -1.476 -16.065   5.062
  242    H    TYR  29           H        TYR  29  -5.494 -15.237   3.244
  243    HA   TYR  29           HA       TYR  29  -4.142 -15.809   0.840
  244   1HB   TYR  29          2HB       TYR  29  -6.353 -15.830  -0.219
  245   2HB   TYR  29          1HB       TYR  29  -6.423 -16.607   1.366
  246    HD1  TYR  29           HD2      TYR  29  -6.847 -13.222  -0.231
  247    HD2  TYR  29           HD1      TYR  29  -8.032 -15.924   2.901
  248    HE1  TYR  29           HE2      TYR  29  -8.604 -11.628   0.485
  249    HE2  TYR  29           HE1      TYR  29  -9.788 -14.323   3.613
  250    HH   TYR  29           HH       TYR  29 -11.140 -12.400   2.363
  251    H    TYR  30           H        TYR  30  -4.953 -12.765   2.142
  252    HA   TYR  30           HA       TYR  30  -5.557 -11.018   0.166
  253   1HB   TYR  30          2HB       TYR  30  -4.970 -10.034   2.207
  254   2HB   TYR  30          1HB       TYR  30  -3.435 -10.894   2.280
  255    HD1  TYR  30           HD2      TYR  30  -5.098  -8.673  -0.260
  256    HD2  TYR  30           HD1      TYR  30  -1.618  -9.481   2.112
  257    HE1  TYR  30           HE2      TYR  30  -3.946  -6.728  -1.283
  258    HE2  TYR  30           HE1      TYR  30  -0.467  -7.537   1.107
  259    HH   TYR  30           HH       TYR  30  -1.213  -5.337  -0.013
  260    H    GLY  31           H        GLY  31  -4.812 -10.514  -1.825
  261   1HA   GLY  31          2HA       GLY  31  -2.475 -11.917  -2.884
  262   2HA   GLY  31          1HA       GLY  31  -3.522 -10.815  -3.790
  263    H    GLU  32           H        GLU  32  -0.470 -11.069  -3.174
  264    HA   GLU  32           HA       GLU  32   0.077  -8.451  -1.961
  265   1HB   GLU  32          2HB       GLU  32   2.362  -9.094  -2.032
  266   2HB   GLU  32          1HB       GLU  32   1.482 -10.585  -1.690
  267   1HG   GLU  32          2HG       GLU  32   2.473 -11.498  -3.493
  268   2HG   GLU  32          1HG       GLU  32   1.532 -10.390  -4.493
  269    H    ASN  33           H        ASN  33  -1.490  -8.092  -4.205
  270    HA   ASN  33           HA       ASN  33   0.414  -6.685  -5.990
  271   1HB   ASN  33          2HB       ASN  33  -1.242  -7.528  -7.895
  272   2HB   ASN  33          1HB       ASN  33   0.140  -8.504  -7.398
  273   1HD2  ASN  33          2HD2      ASN  33  -2.207 -11.120  -6.912
  274   2HD2  ASN  33          1HD2      ASN  33  -0.901 -10.557  -7.840
  275    H    LEU  34           H        LEU  34  -1.214  -5.530  -7.759
  276    HA   LEU  34           HA       LEU  34  -2.786  -3.722  -6.088
  277   1HB   LEU  34          2HB       LEU  34  -3.336  -2.718  -8.427
  278   2HB   LEU  34          1HB       LEU  34  -1.684  -2.592  -7.821
  279    HG   LEU  34           HG       LEU  34  -2.249  -5.077  -9.306
  280   1HD1  LEU  34          3HD1      LEU  34  -3.493  -3.002 -10.435
  281   2HD1  LEU  34          2HD1      LEU  34  -1.863  -2.647 -11.005
  282   3HD1  LEU  34          1HD1      LEU  34  -2.623  -4.187 -11.409
  283   1HD2  LEU  34          3HD2      LEU  34  -0.071  -3.264  -8.673
  284   2HD2  LEU  34          2HD2      LEU  34   0.002  -4.939  -9.220
  285   3HD2  LEU  34          1HD2      LEU  34  -0.100  -3.630 -10.399
  286    H    ASP  35           H        ASP  35  -3.472  -6.655  -7.640
  287    HA   ASP  35           HA       ASP  35  -6.235  -5.984  -8.334
  288   1HB   ASP  35          2HB       ASP  35  -6.171  -8.718  -8.198
  289   2HB   ASP  35          1HB       ASP  35  -5.855  -7.779  -9.651
  290    H    ALA  36           H        ALA  36  -4.725  -8.135  -5.890
  291    HA   ALA  36           HA       ALA  36  -7.240  -8.443  -4.479
  292   1HB   ALA  36          2HB       ALA  36  -5.154 -10.028  -4.504
  293   2HB   ALA  36          1HB       ALA  36  -4.569  -8.977  -3.214
  294   3HB   ALA  36          3HB       ALA  36  -6.084  -9.861  -3.014
  295    H    LEU  37           H        LEU  37  -4.405  -6.436  -4.154
  296    HA   LEU  37           HA       LEU  37  -5.071  -5.285  -1.604
  297   1HB   LEU  37          2HB       LEU  37  -2.829  -5.032  -2.518
  298   2HB   LEU  37          1HB       LEU  37  -3.474  -4.161  -3.911
  299    HG   LEU  37           HG       LEU  37  -4.503  -2.875  -1.600
  300   1HD1  LEU  37          2HD1      LEU  37  -1.684  -3.825  -1.343
  301   2HD1  LEU  37          1HD1      LEU  37  -2.022  -2.164  -0.855
  302   3HD1  LEU  37          3HD1      LEU  37  -2.881  -3.500  -0.087
  303   1HD2  LEU  37          1HD2      LEU  37  -3.538  -2.176  -4.036
  304   2HD2  LEU  37          3HD2      LEU  37  -3.766  -1.019  -2.726
  305   3HD2  LEU  37          2HD2      LEU  37  -2.170  -1.706  -3.026
  306    H    TRP  38           H        TRP  38  -5.558  -4.087  -4.944
  307    HA   TRP  38           HA       TRP  38  -7.122  -1.818  -4.197
  308   1HB   TRP  38          2HB       TRP  38  -6.323  -1.968  -6.474
  309   2HB   TRP  38          1HB       TRP  38  -7.060  -3.553  -6.662
  310    HD1  TRP  38           HD1      TRP  38  -9.307  -3.659  -7.672
  311    HE1  TRP  38           HE1      TRP  38 -11.168  -1.982  -8.290
  312    HE3  TRP  38           HE3      TRP  38  -7.412   0.584  -5.554
  313    HZ2  TRP  38           HZ2      TRP  38 -11.756   0.792  -7.940
  314    HZ3  TRP  38           HZ3      TRP  38  -8.636   2.719  -5.722
  315    HH2  TRP  38           HH2      TRP  38 -10.806   2.833  -6.907
  316    H    ASP  39           H        ASP  39  -7.884  -5.146  -4.906
  317    HA   ASP  39           HA       ASP  39 -10.702  -5.019  -4.685
  318   1HB   ASP  39          2HB       ASP  39  -8.648  -7.106  -4.533
  319   2HB   ASP  39          1HB       ASP  39 -10.058  -7.447  -3.522
  320    H    ALA  40           H        ALA  40  -8.181  -5.017  -2.267
  321    HA   ALA  40           HA       ALA  40 -10.085  -5.332  -0.047
  322   1HB   ALA  40          1HB       ALA  40  -7.242  -5.444  -0.322
  323   2HB   ALA  40          3HB       ALA  40  -7.630  -4.202   0.871
  324   3HB   ALA  40          2HB       ALA  40  -8.224  -5.850   1.089
  325    H    LEU  41           H        LEU  41  -7.765  -2.701  -0.741
  326    HA   LEU  41           HA       LEU  41  -8.727  -0.667   0.776
  327   1HB   LEU  41          2HB       LEU  41  -7.694  -0.678  -2.025
  328   2HB   LEU  41          1HB       LEU  41  -8.340   0.827  -1.376
  329    HG   LEU  41           HG       LEU  41  -6.458  -0.675   0.370
  330   1HD1  LEU  41          3HD1      LEU  41  -5.409  -0.827  -1.882
  331   2HD1  LEU  41          2HD1      LEU  41  -5.543   0.926  -2.042
  332   3HD1  LEU  41          1HD1      LEU  41  -4.497   0.228  -0.801
  333   1HD2  LEU  41          1HD2      LEU  41  -7.647   1.661   0.690
  334   2HD2  LEU  41          3HD2      LEU  41  -5.973   1.437   1.210
  335   3HD2  LEU  41          2HD2      LEU  41  -6.322   2.237  -0.324
  336    H    THR  42           H        THR  42  -9.933  -1.059  -2.520
  337    HA   THR  42           HA       THR  42 -12.389   0.392  -1.790
  338    HB   THR  42           HB       THR  42 -11.432   0.886  -3.965
  339    HG1  THR  42           HG1      THR  42 -13.810   0.505  -3.636
  340   1HG2  THR  42          3HG2      THR  42 -11.400  -2.093  -4.164
  341   2HG2  THR  42          2HG2      THR  42 -11.625  -1.164  -5.646
  342   3HG2  THR  42          1HG2      THR  42 -10.180  -0.923  -4.664
  343    H    GLY  43           H        GLY  43 -12.399  -1.803  -0.244
  344   1HA   GLY  43          2HA       GLY  43 -14.782  -3.076  -0.501
  345   2HA   GLY  43          1HA       GLY  43 -13.780  -4.017  -1.609
  346    H    TRP  44           H        TRP  44 -12.579  -2.584   1.416
  347    HA   TRP  44           HA       TRP  44 -12.885  -4.958   3.018
  348   1HB   TRP  44          2HB       TRP  44 -11.233  -5.954   1.543
  349   2HB   TRP  44          1HB       TRP  44 -10.199  -4.532   1.690
  350    HD1  TRP  44           HD1      TRP  44  -9.343  -3.981   4.279
  351    HE1  TRP  44           HE1      TRP  44  -8.601  -5.639   6.106
  352    HE3  TRP  44           HE3      TRP  44 -11.452  -8.269   2.485
  353    HZ2  TRP  44           HZ2      TRP  44  -8.869  -8.419   6.728
  354    HZ3  TRP  44           HZ3      TRP  44 -11.196 -10.406   3.713
  355    HH2  TRP  44           HH2      TRP  44  -9.907 -10.487   5.830
  356    H    VAL  45           H        VAL  45 -10.742  -2.260   2.283
  357    HA   VAL  45           HA       VAL  45 -10.059  -1.745   5.048
  358    HB   VAL  45           HB       VAL  45  -9.586  -0.489   2.384
  359   1HG1  VAL  45          1HG1      VAL  45 -10.301   1.405   3.805
  360   2HG1  VAL  45          3HG1      VAL  45  -9.067   0.966   4.987
  361   3HG1  VAL  45          2HG1      VAL  45  -8.593   1.505   3.377
  362   1HG2  VAL  45          2HG2      VAL  45  -8.170  -2.027   4.328
  363   2HG2  VAL  45          1HG2      VAL  45  -7.605  -1.484   2.746
  364   3HG2  VAL  45          3HG2      VAL  45  -7.360  -0.468   4.169
  365    H    GLU  46           H        GLU  46 -10.557   0.492   5.998
  366    HA   GLU  46           HA       GLU  46 -13.367   1.281   5.339
  367   1HB   GLU  46          2HB       GLU  46 -12.179   0.407   7.856
  368   2HB   GLU  46          1HB       GLU  46 -12.918   2.002   8.002
  369   1HG   GLU  46          2HG       GLU  46 -14.663   0.361   6.441
  370   2HG   GLU  46          1HG       GLU  46 -14.224  -0.535   7.895
  371    H    TYR  47           H        TYR  47 -13.209   3.232   4.367
  372    HA   TYR  47           HA       TYR  47 -11.023   5.073   5.005
  373   1HB   TYR  47          2HB       TYR  47 -13.417   5.401   3.171
  374   2HB   TYR  47          1HB       TYR  47 -11.984   6.432   3.195
  375    HD1  TYR  47           HD2      TYR  47  -9.697   4.812   3.316
  376    HD2  TYR  47           HD1      TYR  47 -13.426   3.921   1.372
  377    HE1  TYR  47           HE2      TYR  47  -8.531   3.211   1.814
  378    HE2  TYR  47           HE1      TYR  47 -12.257   2.332  -0.131
  379    HH   TYR  47           HH       TYR  47  -9.840   2.074  -0.995
  380    HA   PRO  48           HA       PRO  48 -11.177   7.525   4.351
  381   1HB   PRO  48          2HB       PRO  48 -10.045   9.360   6.057
  382   2HB   PRO  48          1HB       PRO  48 -11.473   9.682   5.054
  383   1HG   PRO  48          2HG       PRO  48 -11.321   9.118   7.988
  384   2HG   PRO  48          1HG       PRO  48 -12.490  10.104   7.093
  385   1HD   PRO  48          2HD       PRO  48 -12.978   7.512   8.025
  386   2HD   PRO  48          1HD       PRO  48 -13.895   8.315   6.730
  387    H    LEU  49           H        LEU  49  -9.048   6.953   4.099
  388    HA   LEU  49           HA       LEU  49  -7.736   5.578   6.411
  389   1HB   LEU  49          2HB       LEU  49  -8.235   3.883   4.836
  390   2HB   LEU  49          1HB       LEU  49  -7.877   4.932   3.465
  391    HG   LEU  49           HG       LEU  49  -5.441   4.938   4.380
  392   1HD1  LEU  49          2HD1      LEU  49  -6.394   3.717   6.521
  393   2HD1  LEU  49          1HD1      LEU  49  -6.205   2.274   5.522
  394   3HD1  LEU  49          3HD1      LEU  49  -4.806   3.285   5.887
  395   1HD2  LEU  49          2HD2      LEU  49  -6.941   2.994   2.784
  396   2HD2  LEU  49          1HD2      LEU  49  -5.398   3.781   2.440
  397   3HD2  LEU  49          3HD2      LEU  49  -5.447   2.337   3.453
  398    H    VAL  50           H        VAL  50  -5.383   5.745   6.439
  399    HA   VAL  50           HA       VAL  50  -4.390   8.179   5.012
  400    HB   VAL  50           HB       VAL  50  -4.000   7.149   7.794
  401   1HG1  VAL  50          3HG1      VAL  50  -1.704   7.036   6.757
  402   2HG1  VAL  50          2HG1      VAL  50  -1.843   8.755   6.386
  403   3HG1  VAL  50          1HG1      VAL  50  -1.837   8.212   8.064
  404   1HG2  VAL  50          3HG2      VAL  50  -5.258   9.284   6.805
  405   2HG2  VAL  50          2HG2      VAL  50  -4.435   9.341   8.364
  406   3HG2  VAL  50          1HG2      VAL  50  -3.643   9.983   6.926
  407    H    LEU  51           H        LEU  51  -2.383   7.954   3.912
  408    HA   LEU  51           HA       LEU  51  -1.164   5.232   4.021
  409   1HB   LEU  51          2HB       LEU  51  -2.603   5.404   1.993
  410   2HB   LEU  51          1HB       LEU  51  -1.663   6.813   1.485
  411    HG   LEU  51           HG       LEU  51   0.400   5.253   1.735
  412   1HD1  LEU  51          3HD1      LEU  51  -1.811   3.456   2.271
  413   2HD1  LEU  51          2HD1      LEU  51  -0.833   2.894   0.905
  414   3HD1  LEU  51          1HD1      LEU  51  -0.082   3.184   2.482
  415   1HD2  LEU  51          2HD2      LEU  51  -0.663   6.097  -0.398
  416   2HD2  LEU  51          1HD2      LEU  51   0.192   4.564  -0.539
  417   3HD2  LEU  51          3HD2      LEU  51  -1.568   4.579  -0.441
  418    H    GLU  52           H        GLU  52   0.089   6.859   5.511
  419    HA   GLU  52           HA       GLU  52   1.785   8.841   4.327
  420   1HB   GLU  52          2HB       GLU  52   1.542   8.932   6.680
  421   2HB   GLU  52          1HB       GLU  52   1.893   7.214   6.870
  422   1HG   GLU  52          2HG       GLU  52   3.765   8.863   7.513
  423   2HG   GLU  52          1HG       GLU  52   4.215   7.541   6.437
  424    H    TRP  53           H        TRP  53   2.613   7.754   2.366
  425    HA   TRP  53           HA       TRP  53   4.194   5.333   2.679
  426   1HB   TRP  53          2HB       TRP  53   2.947   6.209   0.539
  427   2HB   TRP  53          1HB       TRP  53   4.457   7.087   0.265
  428    HD1  TRP  53           HD1      TRP  53   6.731   5.346   0.763
  429    HE1  TRP  53           HE1      TRP  53   7.070   2.991  -0.230
  430    HE3  TRP  53           HE3      TRP  53   1.933   4.232  -0.508
  431    HZ2  TRP  53           HZ2      TRP  53   5.493   0.908  -1.400
  432    HZ3  TRP  53           HZ3      TRP  53   1.362   2.073  -1.556
  433    HH2  TRP  53           HH2      TRP  53   3.146   0.399  -2.008
  434    H    ARG  54           H        ARG  54   5.851   5.897   4.191
  435    HA   ARG  54           HA       ARG  54   7.517   8.211   3.963
  436   1HB   ARG  54          2HB       ARG  54   8.524   5.591   5.058
  437   2HB   ARG  54          1HB       ARG  54   8.841   7.228   5.636
  438   1HG   ARG  54          2HG       ARG  54   6.043   6.900   5.763
  439   2HG   ARG  54          1HG       ARG  54   6.731   5.411   6.411
  440   1HD   ARG  54          2HD       ARG  54   7.598   8.181   7.277
  441   2HD   ARG  54          1HD       ARG  54   6.400   7.215   8.137
  442    HE   ARG  54           HE       ARG  54   9.218   6.285   7.743
  443   1HH1  ARG  54          2HH1      ARG  54   6.968   4.518   8.870
  444   2HH1  ARG  54          1HH1      ARG  54   7.281   4.645  10.568
  445   1HH2  ARG  54          1HH2      ARG  54   9.360   7.402  10.247
  446   2HH2  ARG  54          2HH2      ARG  54   8.636   6.278  11.348
  447    H    GLN  55           H        GLN  55   9.985   6.164   4.013
  448    HA   GLN  55           HA       GLN  55  11.129   6.790   1.572
  449   1HB   GLN  55          2HB       GLN  55  11.392   4.440   3.405
  450   2HB   GLN  55          1HB       GLN  55  12.156   4.342   1.818
  451   1HG   GLN  55          2HG       GLN  55  13.534   6.220   2.237
  452   2HG   GLN  55          1HG       GLN  55  12.543   6.748   3.598
  453   1HE2  GLN  55          2HE2      GLN  55  14.801   3.372   4.282
  454   2HE2  GLN  55          1HE2      GLN  55  13.986   3.535   2.802
  455    H    PHE  56           H        PHE  56  10.301   6.539  -0.445
  456    HA   PHE  56           HA       PHE  56   8.623   4.120  -0.980
  457   1HB   PHE  56          2HB       PHE  56   7.366   6.187  -1.224
  458   2HB   PHE  56          1HB       PHE  56   8.610   6.857  -2.279
  459    HD1  PHE  56           HD2      PHE  56   8.965   5.935  -4.556
  460    HD2  PHE  56           HD1      PHE  56   5.786   4.553  -2.026
  461    HE1  PHE  56           HE2      PHE  56   7.865   4.891  -6.511
  462    HE2  PHE  56           HE1      PHE  56   4.682   3.509  -3.976
  463    HZ   PHE  56           HZ       PHE  56   5.722   3.675  -6.226
  464    H    GLU  57           H        GLU  57  10.643   6.416  -2.843
  465    HA   GLU  57           HA       GLU  57  11.176   4.953  -5.095
  466   1HB   GLU  57          2HB       GLU  57  12.680   6.939  -3.533
  467   2HB   GLU  57          1HB       GLU  57  13.695   5.910  -4.546
  468   1HG   GLU  57          2HG       GLU  57  12.515   6.525  -6.527
  469   2HG   GLU  57          1HG       GLU  57  11.209   7.268  -5.602
  470    H    GLN  58           H        GLN  58  13.085   4.619  -2.078
  471    HA   GLN  58           HA       GLN  58  14.826   2.596  -2.921
  472   1HB   GLN  58          2HB       GLN  58  14.560   1.819  -0.402
  473   2HB   GLN  58          1HB       GLN  58  15.335   3.353  -0.796
  474   1HG   GLN  58          2HG       GLN  58  12.434   3.613  -0.610
  475   2HG   GLN  58          1HG       GLN  58  13.144   3.017   0.891
  476   1HE2  GLN  58          2HE2      GLN  58  15.383   6.012   0.968
  477   2HE2  GLN  58          1HE2      GLN  58  15.632   4.334   0.892
  478    H    SER  59           H        SER  59  11.933   1.850  -0.935
  479    HA   SER  59           HA       SER  59  11.940  -0.916  -1.432
  480   1HB   SER  59          2HB       SER  59   9.331   0.543  -1.187
  481   2HB   SER  59          1HB       SER  59   9.836  -0.974  -0.441
  482    HG   SER  59           HG       SER  59   9.813   1.246   0.756
  483    H    LYS  60           H        LYS  60  11.066   1.641  -3.578
  484    HA   LYS  60           HA       LYS  60   9.384  -0.040  -5.294
  485   1HB   LYS  60          2HB       LYS  60   9.182   2.496  -4.951
  486   2HB   LYS  60          1HB       LYS  60  10.572   2.627  -6.034
  487   1HG   LYS  60          2HG       LYS  60   8.461   0.823  -7.013
  488   2HG   LYS  60          1HG       LYS  60   7.953   2.505  -6.866
  489   1HD   LYS  60          2HD       LYS  60   9.463   3.247  -8.452
  490   2HD   LYS  60          1HD       LYS  60  10.610   1.949  -8.118
  491   1HE   LYS  60          2HE       LYS  60   9.372   0.372  -9.366
  492   2HE   LYS  60          1HE       LYS  60   7.918   1.371  -9.348
  493   1HZ   LYS  60          1HZ       LYS  60   9.841   2.937 -10.511
  494   2HZ   LYS  60          3HZ       LYS  60  10.104   1.398 -11.176
  495   3HZ   LYS  60          2HZ       LYS  60   8.577   2.131 -11.310
  496    H    GLN  61           H        GLN  61  12.766   0.962  -5.204
  497    HA   GLN  61           HA       GLN  61  13.282   0.153  -7.954
  498   1HB   GLN  61          2HB       GLN  61  14.576   1.952  -6.863
  499   2HB   GLN  61          1HB       GLN  61  15.234   0.769  -5.733
  500   1HG   GLN  61          2HG       GLN  61  16.514  -0.285  -7.371
  501   2HG   GLN  61          1HG       GLN  61  15.473   0.269  -8.683
  502   1HE2  GLN  61          2HE2      GLN  61  17.003   3.541  -8.813
  503   2HE2  GLN  61          1HE2      GLN  61  15.513   2.758  -9.029
  504    H    LEU  62           H        LEU  62  14.545  -1.052  -4.898
  505    HA   LEU  62           HA       LEU  62  15.896  -3.287  -5.659
  506   1HB   LEU  62          2HB       LEU  62  14.449  -4.361  -3.550
  507   2HB   LEU  62          1HB       LEU  62  15.951  -3.445  -3.412
  508    HG   LEU  62           HG       LEU  62  14.686  -1.365  -3.172
  509   1HD1  LEU  62          3HD1      LEU  62  12.544  -3.076  -4.153
  510   2HD1  LEU  62          2HD1      LEU  62  12.067  -2.210  -2.702
  511   3HD1  LEU  62          1HD1      LEU  62  12.628  -1.314  -4.115
  512   1HD2  LEU  62          3HD2      LEU  62  15.158  -2.684  -1.141
  513   2HD2  LEU  62          2HD2      LEU  62  13.624  -1.826  -1.001
  514   3HD2  LEU  62          1HD2      LEU  62  13.638  -3.553  -1.355
  515    H    THR  63           H        THR  63  12.471  -2.887  -5.961
  516    HA   THR  63           HA       THR  63  12.186  -5.734  -6.780
  517    HB   THR  63           HB       THR  63  10.379  -5.337  -5.388
  518    HG1  THR  63           HG1      THR  63   8.571  -4.780  -6.749
  519   1HG2  THR  63          3HG2      THR  63  10.674  -2.503  -6.310
  520   2HG2  THR  63          2HG2      THR  63   9.145  -3.023  -5.600
  521   3HG2  THR  63          1HG2      THR  63  10.636  -3.145  -4.667
  522    H    GLU  64           H        GLU  64  10.141  -3.166  -7.979
  523    HA   GLU  64           HA       GLU  64  11.326  -2.428 -10.376
  524   1HB   GLU  64          2HB       GLU  64  10.180  -4.092 -11.961
  525   2HB   GLU  64          1HB       GLU  64  11.592  -4.695 -11.092
  526   1HG   GLU  64          2HG       GLU  64   9.826  -5.428  -9.290
  527   2HG   GLU  64          1HG       GLU  64   8.686  -5.304 -10.631
  528    H    ASN  65           H        ASN  65   8.468  -3.468  -8.675
  529    HA   ASN  65           HA       ASN  65   7.010  -1.096  -9.302
  530   1HB   ASN  65          2HB       ASN  65   5.454  -1.833 -10.930
  531   2HB   ASN  65          1HB       ASN  65   7.017  -2.391 -11.526
  532   1HD2  ASN  65          2HD2      ASN  65   4.158  -5.103 -10.826
  533   2HD2  ASN  65          1HD2      ASN  65   3.862  -3.434 -10.907
  534    H    GLY  66           H        GLY  66   7.648  -2.980  -7.091
  535   1HA   GLY  66          2HA       GLY  66   5.124  -4.267  -6.373
  536   2HA   GLY  66          1HA       GLY  66   6.554  -4.138  -5.343
  537    H    ALA  67           H        ALA  67   7.029  -1.638  -4.845
  538    HA   ALA  67           HA       ALA  67   4.832  -0.722  -3.231
  539   1HB   ALA  67          1HB       ALA  67   7.415   0.581  -4.119
  540   2HB   ALA  67          3HB       ALA  67   6.257   1.395  -3.065
  541   3HB   ALA  67          2HB       ALA  67   7.032  -0.099  -2.537
  542    H    GLU  68           H        GLU  68   6.079   0.272  -6.413
  543    HA   GLU  68           HA       GLU  68   4.363   2.508  -6.751
  544   1HB   GLU  68          2HB       GLU  68   6.334   1.221  -8.267
  545   2HB   GLU  68          1HB       GLU  68   4.868   1.103  -9.241
  546   1HG   GLU  68          2HG       GLU  68   5.164   3.737  -8.015
  547   2HG   GLU  68          1HG       GLU  68   6.528   3.331  -9.058
  548    H    SER  69           H        SER  69   3.747  -0.881  -6.815
  549    HA   SER  69           HA       SER  69   1.311  -0.628  -8.434
  550   1HB   SER  69          2HB       SER  69   1.791  -2.816  -8.740
  551   2HB   SER  69          1HB       SER  69   2.970  -2.791  -7.434
  552    HG   SER  69           HG       SER  69   1.316  -4.196  -6.889
  553    H    VAL  70           H        VAL  70   1.959  -1.536  -4.995
  554    HA   VAL  70           HA       VAL  70  -0.724  -1.499  -4.171
  555    HB   VAL  70           HB       VAL  70   1.807  -0.692  -2.708
  556   1HG1  VAL  70          2HG1      VAL  70  -1.031  -0.698  -1.632
  557   2HG1  VAL  70          1HG1      VAL  70   0.416  -0.568  -0.634
  558   3HG1  VAL  70          3HG1      VAL  70   0.025   0.704  -1.787
  559   1HG2  VAL  70          1HG2      VAL  70   0.914  -3.153  -3.298
  560   2HG2  VAL  70          3HG2      VAL  70   1.722  -2.805  -1.770
  561   3HG2  VAL  70          2HG2      VAL  70  -0.039  -2.876  -1.840
  562    H    LEU  71           H        LEU  71   1.576   1.006  -4.894
  563    HA   LEU  71           HA       LEU  71  -0.072   3.106  -3.866
  564   1HB   LEU  71          2HB       LEU  71   2.485   3.130  -4.379
  565   2HB   LEU  71          1HB       LEU  71   1.973   3.548  -6.016
  566    HG   LEU  71           HG       LEU  71   0.871   5.522  -5.272
  567   1HD1  LEU  71          2HD1      LEU  71   1.043   4.190  -2.607
  568   2HD1  LEU  71          1HD1      LEU  71   1.042   5.957  -2.654
  569   3HD1  LEU  71          3HD1      LEU  71  -0.313   5.054  -3.351
  570   1HD2  LEU  71          1HD2      LEU  71   3.557   5.171  -5.019
  571   2HD2  LEU  71          3HD2      LEU  71   2.749   6.725  -4.812
  572   3HD2  LEU  71          2HD2      LEU  71   3.144   5.742  -3.401
  573    H    GLN  72           H        GLN  72   0.412   1.733  -7.129
  574    HA   GLN  72           HA       GLN  72  -1.209   3.583  -8.516
  575   1HB   GLN  72          2HB       GLN  72  -0.447   0.745  -8.900
  576   2HB   GLN  72          1HB       GLN  72  -1.928   1.243  -9.719
  577   1HG   GLN  72          2HG       GLN  72  -0.463   3.324 -10.435
  578   2HG   GLN  72          1HG       GLN  72   0.877   2.221 -10.121
  579   1HE2  GLN  72          2HE2      GLN  72  -0.730  -0.138 -12.621
  580   2HE2  GLN  72          1HE2      GLN  72  -0.545  -0.216 -10.936
  581    H    VAL  73           H        VAL  73  -2.017   0.975  -6.373
  582    HA   VAL  73           HA       VAL  73  -4.897   1.117  -6.866
  583    HB   VAL  73           HB       VAL  73  -3.226  -0.309  -4.791
  584   1HG1  VAL  73          3HG1      VAL  73  -5.538   0.341  -3.970
  585   2HG1  VAL  73          2HG1      VAL  73  -6.188  -0.623  -5.292
  586   3HG1  VAL  73          1HG1      VAL  73  -5.237  -1.393  -4.036
  587   1HG2  VAL  73          1HG2      VAL  73  -4.388  -0.878  -7.456
  588   2HG2  VAL  73          3HG2      VAL  73  -2.941  -1.541  -6.692
  589   3HG2  VAL  73          2HG2      VAL  73  -4.533  -2.175  -6.265
  590    H    PHE  74           H        PHE  74  -2.877   1.930  -4.017
  591    HA   PHE  74           HA       PHE  74  -4.837   2.978  -2.385
  592   1HB   PHE  74          2HB       PHE  74  -1.923   3.390  -2.757
  593   2HB   PHE  74          1HB       PHE  74  -2.780   4.628  -1.855
  594    HD1  PHE  74           HD2      PHE  74  -3.930   4.097   0.248
  595    HD2  PHE  74           HD1      PHE  74  -1.751   1.133  -1.929
  596    HE1  PHE  74           HE2      PHE  74  -3.998   2.596   2.211
  597    HE2  PHE  74           HE1      PHE  74  -1.803  -0.370   0.027
  598    HZ   PHE  74           HZ       PHE  74  -2.940   0.374   2.098
  599    H    ARG  75           H        ARG  75  -2.792   4.650  -4.719
  600    HA   ARG  75           HA       ARG  75  -4.114   7.160  -4.621
  601   1HB   ARG  75          2HB       ARG  75  -2.378   5.762  -6.639
  602   2HB   ARG  75          1HB       ARG  75  -3.214   7.241  -7.112
  603   1HG   ARG  75          2HG       ARG  75  -2.246   8.330  -5.036
  604   2HG   ARG  75          1HG       ARG  75  -1.248   6.889  -4.838
  605   1HD   ARG  75          2HD       ARG  75   0.225   8.054  -6.138
  606   2HD   ARG  75          1HD       ARG  75  -0.777   7.444  -7.455
  607    HE   ARG  75           HE       ARG  75  -1.217  10.140  -6.233
  608   1HH1  ARG  75          2HH1      ARG  75   0.033   8.531  -8.899
  609   2HH1  ARG  75          1HH1      ARG  75  -0.845   9.442 -10.083
  610   1HH2  ARG  75          1HH2      ARG  75  -2.819  11.078  -7.747
  611   2HH2  ARG  75          2HH2      ARG  75  -2.459  10.883  -9.430
  612    H    GLU  76           H        GLU  76  -4.687   4.243  -6.680
  613    HA   GLU  76           HA       GLU  76  -6.754   5.408  -8.282
  614   1HB   GLU  76          2HB       GLU  76  -5.969   2.646  -7.494
  615   2HB   GLU  76          1HB       GLU  76  -7.609   2.862  -8.109
  616   1HG   GLU  76          2HG       GLU  76  -6.892   3.479 -10.207
  617   2HG   GLU  76          1HG       GLU  76  -5.389   4.178  -9.605
  618    H    ALA  77           H        ALA  77  -6.700   4.409  -4.990
  619    HA   ALA  77           HA       ALA  77  -9.603   4.200  -4.696
  620   1HB   ALA  77          3HB       ALA  77  -7.371   4.332  -2.632
  621   2HB   ALA  77          2HB       ALA  77  -9.049   3.911  -2.293
  622   3HB   ALA  77          1HB       ALA  77  -8.061   2.853  -3.296
  623    H    LYS  78           H        LYS  78  -7.161   6.429  -3.268
  624    HA   LYS  78           HA       LYS  78  -9.058   8.328  -2.368
  625   1HB   LYS  78          2HB       LYS  78  -7.195   9.708  -1.963
  626   2HB   LYS  78          1HB       LYS  78  -6.533   8.084  -1.840
  627   1HG   LYS  78          2HG       LYS  78  -5.019   8.685  -3.396
  628   2HG   LYS  78          1HG       LYS  78  -6.342   8.731  -4.562
  629   1HD   LYS  78          2HD       LYS  78  -5.388  10.885  -4.718
  630   2HD   LYS  78          1HD       LYS  78  -6.783  11.120  -3.662
  631   1HE   LYS  78          2HE       LYS  78  -5.270  10.833  -1.686
  632   2HE   LYS  78          1HE       LYS  78  -3.899  10.761  -2.794
  633   1HZ   LYS  78          3HZ       LYS  78  -4.780  12.966  -3.669
  634   2HZ   LYS  78          2HZ       LYS  78  -5.712  13.031  -2.250
  635   3HZ   LYS  78          1HZ       LYS  78  -4.016  12.980  -2.155
  636    H    ALA  79           H        ALA  79  -8.023   7.516  -5.517
  637    HA   ALA  79           HA       ALA  79  -8.628  10.137  -6.719
  638   1HB   ALA  79          1HB       ALA  79  -6.919   8.278  -7.526
  639   2HB   ALA  79          3HB       ALA  79  -8.355   7.597  -8.299
  640   3HB   ALA  79          2HB       ALA  79  -7.815   9.229  -8.708
  641    H    GLU  80           H        GLU  80  -9.773   6.860  -7.398
  642    HA   GLU  80           HA       GLU  80 -12.094   7.527  -8.779
  643   1HB   GLU  80          2HB       GLU  80 -11.785   5.164  -6.911
  644   2HB   GLU  80          1HB       GLU  80 -12.843   5.290  -8.312
  645   1HG   GLU  80          2HG       GLU  80 -10.037   5.870  -8.929
  646   2HG   GLU  80          1HG       GLU  80 -10.314   4.220  -8.369
  647    H    GLY  81           H        GLY  81 -12.051   6.563  -5.289
  648   1HA   GLY  81          2HA       GLY  81 -13.965   8.721  -4.721
  649   2HA   GLY  81          1HA       GLY  81 -14.678   7.107  -4.652
  650    H    ALA  82           H        ALA  82 -12.290   5.814  -3.596
  651    HA   ALA  82           HA       ALA  82 -12.719   5.778  -0.897
  652   1HB   ALA  82          2HB       ALA  82 -10.600   4.970  -2.615
  653   2HB   ALA  82          1HB       ALA  82  -9.874   5.756  -1.212
  654   3HB   ALA  82          3HB       ALA  82 -10.963   4.387  -0.993
  655    H    ASP  83           H        ASP  83 -11.731   6.807   0.942
  656    HA   ASP  83           HA       ASP  83 -10.903   9.629   0.401
  657   1HB   ASP  83          2HB       ASP  83 -12.241   8.342   2.803
  658   2HB   ASP  83          1HB       ASP  83 -11.596   9.984   2.821
  659    H    ILE  84           H        ILE  84  -8.891   8.026  -0.007
  660    HA   ILE  84           HA       ILE  84  -7.447   7.527   2.533
  661    HB   ILE  84           HB       ILE  84  -6.846   6.768  -0.336
  662   1HG1  ILE  84          2HG1      ILE  84  -7.317   4.700   1.701
  663   2HG1  ILE  84          1HG1      ILE  84  -8.721   5.717   1.366
  664   1HG2  ILE  84          2HG2      ILE  84  -4.884   7.098   1.375
  665   2HG2  ILE  84          1HG2      ILE  84  -5.501   5.608   2.090
  666   3HG2  ILE  84          3HG2      ILE  84  -4.945   5.620   0.415
  667   1HD1  ILE  84          1HD1      ILE  84  -7.840   5.293  -1.154
  668   2HD1  ILE  84          3HD1      ILE  84  -7.318   3.789  -0.397
  669   3HD1  ILE  84          2HD1      ILE  84  -9.020   4.253  -0.364
  670    H    THR  85           H        THR  85  -5.338   8.403   2.878
  671    HA   THR  85           HA       THR  85  -4.809  10.897   1.334
  672    HB   THR  85           HB       THR  85  -3.359  10.314   3.875
  673    HG1  THR  85           HG1      THR  85  -5.163  10.989   5.070
  674   1HG2  THR  85          3HG2      THR  85  -3.691  12.487   2.173
  675   2HG2  THR  85          2HG2      THR  85  -4.734  12.867   3.543
  676   3HG2  THR  85          1HG2      THR  85  -3.020  12.543   3.803
  677    H    ILE  86           H        ILE  86  -3.739   9.752  -0.388
  678    HA   ILE  86           HA       ILE  86  -1.511   7.983   0.123
  679    HB   ILE  86           HB       ILE  86  -2.847   9.169  -2.240
  680   1HG1  ILE  86          2HG1      ILE  86  -2.840   6.931  -3.001
  681   2HG1  ILE  86          1HG1      ILE  86  -1.456   6.502  -2.004
  682   1HG2  ILE  86          1HG2      ILE  86   0.111   8.755  -2.127
  683   2HG2  ILE  86          3HG2      ILE  86  -0.737   8.206  -3.572
  684   3HG2  ILE  86          2HG2      ILE  86  -0.828   9.899  -3.089
  685   1HD1  ILE  86          3HD1      ILE  86  -3.669   7.482  -0.382
  686   2HD1  ILE  86          2HD1      ILE  86  -4.148   6.104  -1.370
  687   3HD1  ILE  86          1HD1      ILE  86  -2.786   5.956  -0.253
  688    H    ILE  87           H        ILE  87   0.281   8.753   1.115
  689    HA   ILE  87           HA       ILE  87   1.176  11.524   0.482
  690    HB   ILE  87           HB       ILE  87   2.008   9.586   2.658
  691   1HG1  ILE  87          2HG1      ILE  87   1.065  11.880   3.840
  692   2HG1  ILE  87          1HG1      ILE  87   0.032  11.765   2.415
  693   1HG2  ILE  87          3HG2      ILE  87   3.835  11.126   1.775
  694   2HG2  ILE  87          2HG2      ILE  87   2.845  12.476   2.332
  695   3HG2  ILE  87          1HG2      ILE  87   3.463  11.300   3.490
  696   1HD1  ILE  87          2HD1      ILE  87  -0.124   9.219   3.150
  697   2HD1  ILE  87          1HD1      ILE  87   0.282   9.886   4.731
  698   3HD1  ILE  87          3HD1      ILE  87  -1.166  10.437   3.887
  699    H    LEU  88           H        LEU  88   2.981  11.861  -0.749
  700    HA   LEU  88           HA       LEU  88   4.850   9.576  -1.163
  701   1HB   LEU  88          2HB       LEU  88   3.391  11.168  -3.267
  702   2HB   LEU  88          1HB       LEU  88   4.942  10.407  -3.623
  703    HG   LEU  88           HG       LEU  88   2.726   8.822  -2.344
  704   1HD1  LEU  88          1HD1      LEU  88   2.265  10.095  -4.693
  705   2HD1  LEU  88          3HD1      LEU  88   3.076   8.646  -5.286
  706   3HD1  LEU  88          2HD1      LEU  88   1.610   8.501  -4.317
  707   1HD2  LEU  88          2HD2      LEU  88   5.388   8.317  -3.097
  708   2HD2  LEU  88          1HD2      LEU  88   4.182   7.121  -2.625
  709   3HD2  LEU  88          3HD2      LEU  88   4.404   7.526  -4.328
  710    H    SER  89           HN       SER  89   4.273  13.060  -1.707
  711    HA   SER  89           HA       SER  89   5.755  14.873  -1.545
  712   1HB   SER  89          2HB       SER  89   6.209  13.579   0.677
  713   2HB   SER  89          1HB       SER  89   7.697  13.063  -0.120
  714    HG   SER  89           HG       SER  89   8.034  14.987   1.023
   
  No H/Q in entry =         714
  Start of MODEL    9
    1   1H    LYS   1          1H        LYS   1  -8.490   5.199   8.433
    2   2H    LYS   1          3H        LYS   1  -8.875   3.675   7.796
    3   3H    LYS   1          2H        LYS   1  -9.450   4.124   9.331
    4    HA   LYS   1           HA       LYS   1  -7.494   3.725  10.366
    5   1HB   LYS   1          2HB       LYS   1  -7.112   2.061   7.860
    6   2HB   LYS   1          1HB       LYS   1  -6.494   1.703   9.474
    7   1HG   LYS   1          2HG       LYS   1  -9.429   1.891   8.728
    8   2HG   LYS   1          1HG       LYS   1  -8.535   0.390   8.976
    9   1HD   LYS   1          2HD       LYS   1  -8.779   0.540  11.210
   10   2HD   LYS   1          1HD       LYS   1  -8.144   2.185  11.216
   11   1HE   LYS   1          2HE       LYS   1 -10.212   3.101  11.321
   12   2HE   LYS   1          1HE       LYS   1 -10.853   1.997  10.104
   13   1HZ   LYS   1          3HZ       LYS   1 -10.275   1.131  12.874
   14   2HZ   LYS   1          2HZ       LYS   1 -11.780   1.778  12.425
   15   3HZ   LYS   1          1HZ       LYS   1 -11.219   0.345  11.705
   16    H    LYS   2           H        LYS   2  -4.982   3.397  10.009
   17    HA   LYS   2           HA       LYS   2  -4.077   5.466   8.052
   18   1HB   LYS   2          2HB       LYS   2  -2.696   6.464   9.631
   19   2HB   LYS   2          1HB       LYS   2  -4.045   5.968  10.650
   20   1HG   LYS   2          2HG       LYS   2  -2.403   5.008  11.911
   21   2HG   LYS   2          1HG       LYS   2  -2.516   3.712  10.719
   22   1HD   LYS   2          2HD       LYS   2  -0.173   4.414  11.026
   23   2HD   LYS   2          1HD       LYS   2  -0.726   4.777   9.392
   24   1HE   LYS   2          2HE       LYS   2  -0.120   6.919   9.733
   25   2HE   LYS   2          1HE       LYS   2  -1.404   7.034  10.935
   26   1HZ   LYS   2          1HZ       LYS   2   0.429   5.827  12.381
   27   2HZ   LYS   2          3HZ       LYS   2   1.462   6.635  11.307
   28   3HZ   LYS   2          2HZ       LYS   2   0.356   7.519  12.246
   29    H    ALA   3           H        ALA   3  -2.171   5.006   6.919
   30    HA   ALA   3           HA       ALA   3  -0.872   2.389   7.496
   31   1HB   ALA   3          2HB       ALA   3  -2.340   3.207   5.085
   32   2HB   ALA   3          1HB       ALA   3  -0.713   2.614   4.746
   33   3HB   ALA   3          3HB       ALA   3  -1.861   1.594   5.615
   34    H    VAL   4           H        VAL   4   1.335   2.486   7.375
   35    HA   VAL   4           HA       VAL   4   2.538   4.951   6.196
   36    HB   VAL   4           HB       VAL   4   3.278   3.548   8.781
   37   1HG1  VAL   4          1HG1      VAL   4   4.974   4.874   6.956
   38   2HG1  VAL   4          3HG1      VAL   4   4.680   6.023   8.261
   39   3HG1  VAL   4          2HG1      VAL   4   5.344   4.430   8.622
   40   1HG2  VAL   4          3HG2      VAL   4   1.415   5.535   8.283
   41   2HG2  VAL   4          2HG2      VAL   4   2.192   5.237   9.837
   42   3HG2  VAL   4          1HG2      VAL   4   2.848   6.452   8.741
   43    H    ILE   5           H        ILE   5   3.916   4.428   4.603
   44    HA   ILE   5           HA       ILE   5   4.913   1.654   4.382
   45    HB   ILE   5           HB       ILE   5   5.398   3.920   2.446
   46   1HG1  ILE   5          2HG1      ILE   5   2.901   3.476   3.174
   47   2HG1  ILE   5          1HG1      ILE   5   3.294   3.654   1.475
   48   1HG2  ILE   5          2HG2      ILE   5   5.830   1.025   2.508
   49   2HG2  ILE   5          1HG2      ILE   5   4.978   1.562   1.060
   50   3HG2  ILE   5          3HG2      ILE   5   6.550   2.251   1.462
   51   1HD1  ILE   5          2HD1      ILE   5   3.578   0.897   2.412
   52   2HD1  ILE   5          1HD1      ILE   5   1.938   1.521   2.588
   53   3HD1  ILE   5          3HD1      ILE   5   2.717   1.527   1.005
   54    H    ASN   6           H        ASN   6   6.700   1.345   5.607
   55    HA   ASN   6           HA       ASN   6   8.770   3.485   5.628
   56   1HB   ASN   6          2HB       ASN   6   8.982   1.086   7.391
   57   2HB   ASN   6          1HB       ASN   6   9.390   2.771   7.740
   58   1HD2  ASN   6          2HD2      ASN   6   6.203   1.747   9.538
   59   2HD2  ASN   6          1HD2      ASN   6   7.744   1.041   9.460
   60    H    GLY   7           H        GLY   7   9.808   2.988   3.657
   61   1HA   GLY   7          2HA       GLY   7  10.414   0.323   2.812
   62   2HA   GLY   7          1HA       GLY   7  11.182   1.789   2.189
   63    H    GLU   8           H        GLU   8  11.680   2.193   5.316
   64    HA   GLU   8           HA       GLU   8  14.425   1.359   5.208
   65   1HB   GLU   8          2HB       GLU   8  13.730   3.283   6.573
   66   2HB   GLU   8          1HB       GLU   8  12.745   2.222   7.578
   67   1HG   GLU   8          2HG       GLU   8  14.540   1.812   8.867
   68   2HG   GLU   8          1HG       GLU   8  15.346   1.083   7.477
   69    H    GLN   9           H        GLN   9  11.519  -0.176   6.070
   70    HA   GLN   9           HA       GLN   9  13.004  -2.448   7.310
   71   1HB   GLN   9          2HB       GLN   9  11.093  -1.112   8.583
   72   2HB   GLN   9          1HB       GLN   9  10.040  -2.129   7.599
   73   1HG   GLN   9          2HG       GLN   9  10.356  -3.800   9.075
   74   2HG   GLN   9          1HG       GLN   9  12.056  -3.837   8.605
   75   1HE2  GLN   9          2HE2      GLN   9  12.586  -3.117  12.068
   76   2HE2  GLN   9          1HE2      GLN   9  12.577  -4.358  10.909
   77    H    ILE  10           H        ILE  10  10.957  -1.390   4.757
   78    HA   ILE  10           HA       ILE  10   9.952  -3.974   3.981
   79    HB   ILE  10           HB       ILE  10  10.515  -1.609   2.164
   80   1HG1  ILE  10          2HG1      ILE  10   9.039  -0.802   3.864
   81   2HG1  ILE  10          1HG1      ILE  10   8.000  -1.238   2.512
   82   1HG2  ILE  10          3HG2      ILE  10   9.999  -4.082   1.368
   83   2HG2  ILE  10          2HG2      ILE  10   8.349  -3.663   1.827
   84   3HG2  ILE  10          1HG2      ILE  10   9.186  -2.718   0.592
   85   1HD1  ILE  10          3HD1      ILE  10   8.130  -3.607   3.842
   86   2HD1  ILE  10          2HD1      ILE  10   8.226  -2.472   5.187
   87   3HD1  ILE  10          1HD1      ILE  10   6.851  -2.418   4.082
   88    H    ARG  11           H        ARG  11  11.596  -5.458   3.984
   89    HA   ARG  11           HA       ARG  11  14.231  -5.168   3.064
   90   1HB   ARG  11          2HB       ARG  11  13.018  -7.755   2.307
   91   2HB   ARG  11          1HB       ARG  11  14.419  -7.424   3.331
   92   1HG   ARG  11          2HG       ARG  11  12.771  -6.632   5.108
   93   2HG   ARG  11          1HG       ARG  11  11.500  -7.328   4.095
   94   1HD   ARG  11          2HD       ARG  11  12.157  -9.496   4.516
   95   2HD   ARG  11          1HD       ARG  11  13.857  -9.058   4.688
   96    HE   ARG  11           HE       ARG  11  11.809  -8.563   6.814
   97   1HH1  ARG  11          1HH2      ARG  11  14.465  -7.128   6.981
   98   2HH1  ARG  11          2HH2      ARG  11  15.375  -8.196   7.996
   99   1HH2  ARG  11          2HH1      ARG  11  13.206 -10.869   7.577
  100   2HH2  ARG  11          1HH1      ARG  11  14.663 -10.314   8.333
  101    H    SER  12           H        SER  12  11.345  -6.124   1.195
  102    HA   SER  12           HA       SER  12  12.169  -4.731  -1.150
  103   1HB   SER  12          2HB       SER  12  14.004  -6.241  -1.383
  104   2HB   SER  12          1HB       SER  12  12.991  -7.636  -1.028
  105    HG   SER  12           HG       SER  12  13.407  -7.332  -3.286
  106    H    ILE  13           H        ILE  13   9.796  -4.483  -0.606
  107    HA   ILE  13           HA       ILE  13   7.626  -4.705  -1.410
  108    HB   ILE  13           HB       ILE  13   8.950  -5.645  -3.485
  109   1HG1  ILE  13          2HG1      ILE  13   6.562  -4.677  -3.239
  110   2HG1  ILE  13          1HG1      ILE  13   6.909  -5.667  -4.654
  111   1HG2  ILE  13          1HG2      ILE  13   8.187  -8.103  -2.106
  112   2HG2  ILE  13          3HG2      ILE  13   7.508  -8.015  -3.724
  113   3HG2  ILE  13          2HG2      ILE  13   9.247  -7.878  -3.487
  114   1HD1  ILE  13          2HD1      ILE  13   5.990  -7.646  -3.425
  115   2HD1  ILE  13          1HD1      ILE  13   5.530  -6.561  -2.115
  116   3HD1  ILE  13          3HD1      ILE  13   4.797  -6.383  -3.707
  117    H    SER  14           H        SER  14   9.196  -7.686  -0.264
  118    HA   SER  14           HA       SER  14   6.803  -9.080   0.392
  119   1HB   SER  14          2HB       SER  14   8.458  -9.944   2.329
  120   2HB   SER  14          1HB       SER  14   8.612 -10.476   0.657
  121    HG   SER  14           HG       SER  14  10.570  -9.707   0.954
  122    H    ASP  15           H        ASP  15   8.923  -7.257   2.614
  123    HA   ASP  15           HA       ASP  15   7.058  -7.153   4.751
  124   1HB   ASP  15          2HB       ASP  15   9.626  -5.931   4.027
  125   2HB   ASP  15          1HB       ASP  15   8.623  -4.906   5.045
  126    H    LEU  16           H        LEU  16   7.183  -5.459   1.795
  127    HA   LEU  16           HA       LEU  16   5.863  -3.024   2.615
  128   1HB   LEU  16          2HB       LEU  16   7.112  -3.201   0.496
  129   2HB   LEU  16          1HB       LEU  16   5.950  -4.390  -0.091
  130    HG   LEU  16           HG       LEU  16   4.443  -2.786  -0.661
  131   1HD1  LEU  16          2HD1      LEU  16   5.150  -1.470   1.973
  132   2HD1  LEU  16          1HD1      LEU  16   4.114  -0.675   0.788
  133   3HD1  LEU  16          3HD1      LEU  16   3.621  -2.211   1.499
  134   1HD2  LEU  16          1HD2      LEU  16   6.802  -1.913  -1.297
  135   2HD2  LEU  16          3HD2      LEU  16   5.436  -0.802  -1.406
  136   3HD2  LEU  16          2HD2      LEU  16   6.529  -0.727  -0.022
  137    H    HIS  17           H        HIS  17   4.634  -5.659   0.592
  138    HA   HIS  17           HA       HIS  17   1.901  -4.999   0.945
  139   1HB   HIS  17          2HB       HIS  17   3.227  -7.616   0.211
  140   2HB   HIS  17          1HB       HIS  17   1.485  -7.326   0.098
  141    HD1  HIS  17           HD1      HIS  17   0.949  -6.845  -2.304
  142    HD2  HIS  17           HD2      HIS  17   4.509  -5.016  -1.140
  143    HE1  HIS  17           HE1      HIS  17   1.742  -5.473  -4.284
  144    H    GLN  18           H        GLN  18   4.097  -6.560   3.042
  145    HA   GLN  18           HA       GLN  18   2.023  -7.878   4.644
  146   1HB   GLN  18          2HB       GLN  18   4.974  -7.374   5.116
  147   2HB   GLN  18          1HB       GLN  18   3.937  -8.209   6.273
  148   1HG   GLN  18          2HG       GLN  18   3.301  -9.730   4.260
  149   2HG   GLN  18          1HG       GLN  18   4.761  -9.085   3.511
  150   1HE2  GLN  18          2HE2      GLN  18   6.469 -11.716   5.167
  151   2HE2  GLN  18          1HE2      GLN  18   5.966 -11.087   3.672
  152    H    THR  19           H        THR  19   3.859  -4.946   4.575
  153    HA   THR  19           HA       THR  19   3.060  -3.930   7.149
  154    HB   THR  19           HB       THR  19   4.360  -2.816   4.690
  155    HG1  THR  19           HG1      THR  19   5.923  -3.257   5.994
  156   1HG2  THR  19          2HG2      THR  19   2.720  -1.262   6.579
  157   2HG2  THR  19          1HG2      THR  19   4.356  -0.643   6.360
  158   3HG2  THR  19          3HG2      THR  19   3.291  -0.833   4.965
  159    H    LEU  20           H        LEU  20   1.720  -3.856   3.949
  160    HA   LEU  20           HA       LEU  20  -0.404  -1.944   4.672
  161   1HB   LEU  20          2HB       LEU  20  -0.583  -3.778   2.291
  162   2HB   LEU  20          1HB       LEU  20  -1.139  -2.108   2.453
  163    HG   LEU  20           HG       LEU  20   1.768  -2.879   2.511
  164   1HD1  LEU  20          2HD1      LEU  20  -0.059  -2.740   0.267
  165   2HD1  LEU  20          1HD1      LEU  20   1.243  -1.560   0.114
  166   3HD1  LEU  20          3HD1      LEU  20   1.622  -3.271   0.306
  167   1HD2  LEU  20          3HD2      LEU  20   0.858  -0.660   3.479
  168   2HD2  LEU  20          2HD2      LEU  20   2.186  -0.561   2.323
  169   3HD2  LEU  20          1HD2      LEU  20   0.535  -0.224   1.798
  170    H    LYS  21           H        LYS  21   0.098  -5.377   4.293
  171    HA   LYS  21           HA       LYS  21  -2.624  -6.199   4.742
  172   1HB   LYS  21          2HB       LYS  21  -1.124  -7.836   3.858
  173   2HB   LYS  21          1HB       LYS  21   0.038  -7.580   5.164
  174   1HG   LYS  21          2HG       LYS  21  -1.192  -8.811   6.677
  175   2HG   LYS  21          1HG       LYS  21  -2.730  -8.388   5.925
  176   1HD   LYS  21          2HD       LYS  21  -2.447  -9.976   4.188
  177   2HD   LYS  21          1HD       LYS  21  -0.727 -10.164   4.530
  178   1HE   LYS  21          2HE       LYS  21  -2.979 -10.996   6.384
  179   2HE   LYS  21          1HE       LYS  21  -2.029 -12.091   5.380
  180   1HZ   LYS  21          2HZ       LYS  21  -0.175 -10.599   6.726
  181   2HZ   LYS  21          1HZ       LYS  21  -1.371 -10.912   7.891
  182   3HZ   LYS  21          3HZ       LYS  21  -0.625 -12.200   7.079
  183    H    LYS  22           H        LYS  22  -0.050  -5.087   6.819
  184    HA   LYS  22           HA       LYS  22  -1.444  -6.006   9.252
  185   1HB   LYS  22          2HB       LYS  22   0.526  -5.627  10.351
  186   2HB   LYS  22          1HB       LYS  22   1.199  -5.670   8.725
  187   1HG   LYS  22          2HG       LYS  22   0.847  -3.157   8.628
  188   2HG   LYS  22          1HG       LYS  22   0.459  -3.220  10.346
  189   1HD   LYS  22          2HD       LYS  22   2.770  -4.630  10.348
  190   2HD   LYS  22          1HD       LYS  22   3.076  -3.553   8.985
  191   1HE   LYS  22          2HE       LYS  22   3.517  -1.873  10.412
  192   2HE   LYS  22          1HE       LYS  22   1.887  -2.005  11.069
  193   1HZ   LYS  22          2HZ       LYS  22   3.889  -3.965  11.919
  194   2HZ   LYS  22          1HZ       LYS  22   3.984  -2.396  12.563
  195   3HZ   LYS  22          3HZ       LYS  22   2.576  -3.315  12.779
  196    H    GLU  23           H        GLU  23  -0.954  -3.014   7.416
  197    HA   GLU  23           HA       GLU  23  -2.169  -1.340   9.476
  198   1HB   GLU  23          2HB       GLU  23  -1.734  -0.739   6.543
  199   2HB   GLU  23          1HB       GLU  23  -2.067   0.440   7.811
  200   1HG   GLU  23          2HG       GLU  23   0.057   0.296   8.696
  201   2HG   GLU  23          1HG       GLU  23   0.265  -1.384   8.201
  202    H    LEU  24           H        LEU  24  -3.185  -2.102   6.200
  203    HA   LEU  24           HA       LEU  24  -5.903  -1.316   6.539
  204   1HB   LEU  24          2HB       LEU  24  -4.943  -3.430   4.599
  205   2HB   LEU  24          1HB       LEU  24  -6.295  -2.316   4.406
  206    HG   LEU  24           HG       LEU  24  -3.512  -1.234   4.762
  207   1HD1  LEU  24          3HD1      LEU  24  -4.617  -2.666   2.412
  208   2HD1  LEU  24          2HD1      LEU  24  -3.787  -1.144   2.087
  209   3HD1  LEU  24          1HD1      LEU  24  -2.941  -2.451   2.919
  210   1HD2  LEU  24          3HD2      LEU  24  -5.979  -0.073   4.578
  211   2HD2  LEU  24          2HD2      LEU  24  -4.466   0.725   4.157
  212   3HD2  LEU  24          1HD2      LEU  24  -5.445  -0.028   2.898
  213    H    ALA  25           H        ALA  25  -4.144  -4.212   7.321
  214    HA   ALA  25           HA       ALA  25  -4.831  -6.009   8.683
  215   1HB   ALA  25          2HB       ALA  25  -6.733  -4.023   9.193
  216   2HB   ALA  25          1HB       ALA  25  -7.682  -5.450   8.771
  217   3HB   ALA  25          3HB       ALA  25  -6.519  -5.526  10.094
  218    H    LEU  26           H        LEU  26  -4.490  -6.613   6.137
  219    HA   LEU  26           HA       LEU  26  -6.948  -7.656   4.915
  220   1HB   LEU  26          2HB       LEU  26  -4.118  -8.254   4.020
  221   2HB   LEU  26          1HB       LEU  26  -5.590  -8.202   3.046
  222    HG   LEU  26           HG       LEU  26  -4.431  -5.789   4.462
  223   1HD1  LEU  26          3HD1      LEU  26  -3.702  -7.080   1.953
  224   2HD1  LEU  26          2HD1      LEU  26  -4.257  -5.426   1.699
  225   3HD1  LEU  26          1HD1      LEU  26  -2.912  -5.746   2.795
  226   1HD2  LEU  26          1HD2      LEU  26  -6.955  -6.359   3.226
  227   2HD2  LEU  26          3HD2      LEU  26  -6.400  -4.835   3.920
  228   3HD2  LEU  26          2HD2      LEU  26  -6.098  -5.192   2.220
  229    HA   PRO  27           HA       PRO  27  -6.699 -11.705   6.550
  230   1HB   PRO  27          2HB       PRO  27  -7.542 -13.207   4.409
  231   2HB   PRO  27          1HB       PRO  27  -8.621 -12.190   5.383
  232   1HG   PRO  27          2HG       PRO  27  -7.553 -11.708   2.643
  233   2HG   PRO  27          1HG       PRO  27  -9.048 -11.112   3.384
  234   1HD   PRO  27          2HD       PRO  27  -6.656  -9.642   3.034
  235   2HD   PRO  27          1HD       PRO  27  -8.031  -9.168   4.055
  236    H    GLU  28           H        GLU  28  -6.062 -14.124   5.487
  237    HA   GLU  28           HA       GLU  28  -3.166 -13.932   5.156
  238   1HB   GLU  28          2HB       GLU  28  -4.038 -15.734   6.512
  239   2HB   GLU  28          1HB       GLU  28  -5.082 -16.278   5.195
  240   1HG   GLU  28          2HG       GLU  28  -3.265 -17.069   3.918
  241   2HG   GLU  28          1HG       GLU  28  -2.093 -16.123   4.836
  242    H    TYR  29           H        TYR  29  -5.851 -15.221   3.172
  243    HA   TYR  29           HA       TYR  29  -4.238 -15.899   0.925
  244   1HB   TYR  29          2HB       TYR  29  -6.357 -15.888  -0.349
  245   2HB   TYR  29          1HB       TYR  29  -6.533 -16.728   1.196
  246    HD1  TYR  29           HD2      TYR  29  -6.873 -13.280  -0.271
  247    HD2  TYR  29           HD1      TYR  29  -8.296 -16.148   2.597
  248    HE1  TYR  29           HE2      TYR  29  -8.707 -11.738   0.362
  249    HE2  TYR  29           HE1      TYR  29 -10.129 -14.602   3.230
  250    HH   TYR  29           HH       TYR  29 -10.760 -11.663   1.427
  251    H    TYR  30           H        TYR  30  -5.054 -12.864   2.165
  252    HA   TYR  30           HA       TYR  30  -5.520 -11.095   0.159
  253   1HB   TYR  30          2HB       TYR  30  -5.023 -10.137   2.261
  254   2HB   TYR  30          1HB       TYR  30  -3.461 -10.949   2.362
  255    HD1  TYR  30           HD1      TYR  30  -5.109  -8.904  -0.319
  256    HD2  TYR  30           HD2      TYR  30  -1.738  -9.370   2.303
  257    HE1  TYR  30           HE1      TYR  30  -4.016  -6.944  -1.374
  258    HE2  TYR  30           HE2      TYR  30  -0.644  -7.413   1.244
  259    HH   TYR  30           HH       TYR  30  -1.428  -5.336  -0.028
  260    H    GLY  31           H        GLY  31  -4.715 -10.772  -1.836
  261   1HA   GLY  31          2HA       GLY  31  -2.233 -12.099  -2.656
  262   2HA   GLY  31          1HA       GLY  31  -3.300 -11.152  -3.704
  263    H    GLU  32           H        GLU  32  -0.286 -11.109  -2.989
  264    HA   GLU  32           HA       GLU  32   0.006  -8.395  -1.905
  265   1HB   GLU  32          2HB       GLU  32   2.351  -8.844  -1.904
  266   2HB   GLU  32          1HB       GLU  32   1.565 -10.348  -1.422
  267   1HG   GLU  32          2HG       GLU  32   2.622 -11.384  -3.114
  268   2HG   GLU  32          1HG       GLU  32   1.672 -10.412  -4.239
  269    H    ASN  33           H        ASN  33  -1.462  -7.950  -4.032
  270    HA   ASN  33           HA       ASN  33   0.410  -6.673  -5.921
  271   1HB   ASN  33          2HB       ASN  33  -1.271  -7.623  -7.778
  272   2HB   ASN  33          1HB       ASN  33   0.171  -8.514  -7.289
  273   1HD2  ASN  33          2HD2      ASN  33  -3.198  -9.786  -5.326
  274   2HD2  ASN  33          1HD2      ASN  33  -2.796  -8.137  -5.325
  275    H    LEU  34           H        LEU  34  -1.240  -5.643  -7.745
  276    HA   LEU  34           HA       LEU  34  -2.831  -3.763  -6.174
  277   1HB   LEU  34          2HB       LEU  34  -3.409  -2.918  -8.577
  278   2HB   LEU  34          1HB       LEU  34  -1.769  -2.704  -7.970
  279    HG   LEU  34           HG       LEU  34  -2.213  -5.295  -9.291
  280   1HD1  LEU  34          3HD1      LEU  34  -3.291  -2.963 -10.530
  281   2HD1  LEU  34          2HD1      LEU  34  -1.818  -3.393 -11.399
  282   3HD1  LEU  34          1HD1      LEU  34  -3.114  -4.575 -11.223
  283   1HD2  LEU  34          1HD2      LEU  34  -0.195  -3.047  -9.353
  284   2HD2  LEU  34          3HD2      LEU  34   0.015  -4.685  -8.738
  285   3HD2  LEU  34          2HD2      LEU  34  -0.094  -4.405 -10.476
  286    H    ASP  35           H        ASP  35  -3.469  -6.774  -7.618
  287    HA   ASP  35           HA       ASP  35  -6.250  -6.200  -8.299
  288   1HB   ASP  35          2HB       ASP  35  -6.219  -8.868  -8.159
  289   2HB   ASP  35          1HB       ASP  35  -5.647  -8.000  -9.578
  290    H    ALA  36           H        ALA  36  -4.646  -8.175  -5.764
  291    HA   ALA  36           HA       ALA  36  -7.138  -8.507  -4.317
  292   1HB   ALA  36          3HB       ALA  36  -4.822  -9.884  -4.270
  293   2HB   ALA  36          2HB       ALA  36  -4.554  -8.827  -2.883
  294   3HB   ALA  36          1HB       ALA  36  -5.957  -9.898  -2.919
  295    H    LEU  37           H        LEU  37  -4.445  -6.313  -4.222
  296    HA   LEU  37           HA       LEU  37  -5.136  -5.034  -1.722
  297   1HB   LEU  37          2HB       LEU  37  -2.893  -4.816  -2.763
  298   2HB   LEU  37          1HB       LEU  37  -3.621  -3.915  -4.092
  299    HG   LEU  37           HG       LEU  37  -4.589  -2.659  -1.792
  300   1HD1  LEU  37          3HD1      LEU  37  -1.641  -3.324  -1.535
  301   2HD1  LEU  37          2HD1      LEU  37  -2.472  -2.092  -0.584
  302   3HD1  LEU  37          1HD1      LEU  37  -2.924  -3.790  -0.417
  303   1HD2  LEU  37          3HD2      LEU  37  -2.390  -2.008  -3.758
  304   2HD2  LEU  37          2HD2      LEU  37  -4.050  -1.417  -3.740
  305   3HD2  LEU  37          1HD2      LEU  37  -2.910  -0.864  -2.521
  306    H    TRP  38           H        TRP  38  -5.591  -4.054  -5.129
  307    HA   TRP  38           HA       TRP  38  -7.242  -1.807  -4.608
  308   1HB   TRP  38          2HB       TRP  38  -6.332  -2.266  -6.831
  309   2HB   TRP  38          1HB       TRP  38  -7.214  -3.781  -6.895
  310    HD1  TRP  38           HD1      TRP  38  -9.152  -3.665  -8.383
  311    HE1  TRP  38           HE1      TRP  38 -10.917  -1.921  -9.080
  312    HE3  TRP  38           HE3      TRP  38  -7.603   0.340  -5.602
  313    HZ2  TRP  38           HZ2      TRP  38 -11.565   0.806  -8.552
  314    HZ3  TRP  38           HZ3      TRP  38  -8.785   2.497  -5.751
  315    HH2  TRP  38           HH2      TRP  38 -10.776   2.737  -7.209
  316    H    ASP  39           H        ASP  39  -7.939  -5.208  -4.987
  317    HA   ASP  39           HA       ASP  39 -10.779  -5.043  -4.774
  318   1HB   ASP  39          2HB       ASP  39  -8.739  -7.148  -4.590
  319   2HB   ASP  39          1HB       ASP  39 -10.157  -7.447  -3.580
  320    H    ALA  40           H        ALA  40  -8.213  -5.026  -2.404
  321    HA   ALA  40           HA       ALA  40 -10.075  -5.277  -0.145
  322   1HB   ALA  40          1HB       ALA  40  -7.570  -5.984  -0.197
  323   2HB   ALA  40          3HB       ALA  40  -7.247  -4.274   0.101
  324   3HB   ALA  40          2HB       ALA  40  -8.199  -5.207   1.259
  325    H    LEU  41           H        LEU  41  -7.701  -2.712  -0.855
  326    HA   LEU  41           HA       LEU  41  -8.588  -0.630   0.621
  327   1HB   LEU  41          2HB       LEU  41  -7.562  -0.715  -2.176
  328   2HB   LEU  41          1HB       LEU  41  -8.227   0.811  -1.596
  329    HG   LEU  41           HG       LEU  41  -6.348  -0.589   0.234
  330   1HD1  LEU  41          1HD1      LEU  41  -5.311  -0.820  -2.060
  331   2HD1  LEU  41          3HD1      LEU  41  -5.355   0.941  -2.198
  332   3HD1  LEU  41          2HD1      LEU  41  -4.366   0.175  -0.948
  333   1HD2  LEU  41          3HD2      LEU  41  -7.530   1.739   0.459
  334   2HD2  LEU  41          2HD2      LEU  41  -5.837   1.574   0.938
  335   3HD2  LEU  41          1HD2      LEU  41  -6.248   2.283  -0.625
  336    H    THR  42           H        THR  42  -9.861  -1.027  -2.653
  337    HA   THR  42           HA       THR  42 -12.273   0.485  -1.892
  338    HB   THR  42           HB       THR  42 -11.176   0.797  -4.126
  339    HG1  THR  42           HG1      THR  42 -13.229   0.453  -5.293
  340   1HG2  THR  42          1HG2      THR  42 -11.579  -2.101  -4.161
  341   2HG2  THR  42          3HG2      THR  42 -12.179  -1.308  -5.619
  342   3HG2  THR  42          2HG2      THR  42 -10.495  -1.105  -5.134
  343    H    GLY  43           H        GLY  43 -12.326  -1.651  -0.309
  344   1HA   GLY  43          2HA       GLY  43 -14.723  -2.895  -0.492
  345   2HA   GLY  43          1HA       GLY  43 -13.758  -3.881  -1.593
  346    H    TRP  44           H        TRP  44 -12.472  -2.378   1.357
  347    HA   TRP  44           HA       TRP  44 -12.780  -4.634   3.088
  348   1HB   TRP  44          2HB       TRP  44 -11.296  -5.806   1.544
  349   2HB   TRP  44          1HB       TRP  44 -10.150  -4.466   1.593
  350    HD1  TRP  44           HD1      TRP  44  -9.230  -3.878   4.192
  351    HE1  TRP  44           HE1      TRP  44  -8.487  -5.553   6.006
  352    HE3  TRP  44           HE3      TRP  44 -11.498  -8.112   2.466
  353    HZ2  TRP  44           HZ2      TRP  44  -8.813  -8.323   6.642
  354    HZ3  TRP  44           HZ3      TRP  44 -11.269 -10.253   3.693
  355    HH2  TRP  44           HH2      TRP  44  -9.929 -10.365   5.777
  356    H    VAL  45           H        VAL  45 -10.596  -2.073   2.046
  357    HA   VAL  45           HA       VAL  45  -9.523  -1.464   4.631
  358    HB   VAL  45           HB       VAL  45  -9.694  -0.100   1.968
  359   1HG1  VAL  45          2HG1      VAL  45  -8.807   1.205   4.546
  360   2HG1  VAL  45          1HG1      VAL  45  -8.400   1.816   2.943
  361   3HG1  VAL  45          3HG1      VAL  45 -10.085   1.746   3.457
  362   1HG2  VAL  45          1HG2      VAL  45  -7.452  -0.941   3.826
  363   2HG2  VAL  45          3HG2      VAL  45  -7.930  -1.732   2.324
  364   3HG2  VAL  45          2HG2      VAL  45  -7.205  -0.124   2.282
  365    H    GLU  46           H        GLU  46 -10.002   0.580   5.833
  366    HA   GLU  46           HA       GLU  46 -12.905   1.282   5.658
  367   1HB   GLU  46          2HB       GLU  46 -11.827   0.031   7.764
  368   2HB   GLU  46          1HB       GLU  46 -11.379   1.682   8.198
  369   1HG   GLU  46          2HG       GLU  46 -13.464   1.820   9.077
  370   2HG   GLU  46          1HG       GLU  46 -13.998   1.985   7.403
  371    H    TYR  47           H        TYR  47 -12.939   3.223   4.633
  372    HA   TYR  47           HA       TYR  47 -10.790   5.174   5.067
  373   1HB   TYR  47          2HB       TYR  47 -13.312   5.380   3.400
  374   2HB   TYR  47          1HB       TYR  47 -11.906   6.446   3.303
  375    HD1  TYR  47           HD2      TYR  47  -9.578   4.883   3.285
  376    HD2  TYR  47           HD1      TYR  47 -13.413   3.866   1.633
  377    HE1  TYR  47           HE2      TYR  47  -8.482   3.291   1.718
  378    HE2  TYR  47           HE1      TYR  47 -12.313   2.289   0.064
  379    HH   TYR  47           HH       TYR  47  -9.979   2.075  -0.971
  380    HA   PRO  48           HA       PRO  48 -11.059   7.589   4.417
  381   1HB   PRO  48          2HB       PRO  48  -9.892   9.469   6.053
  382   2HB   PRO  48          1HB       PRO  48 -11.377   9.743   5.122
  383   1HG   PRO  48          2HG       PRO  48 -11.061   9.199   8.049
  384   2HG   PRO  48          1HG       PRO  48 -12.298  10.153   7.210
  385   1HD   PRO  48          2HD       PRO  48 -12.683   7.559   8.175
  386   2HD   PRO  48          1HD       PRO  48 -13.672   8.328   6.912
  387    H    LEU  49           H        LEU  49  -9.027   6.874   4.023
  388    HA   LEU  49           HA       LEU  49  -7.543   5.602   6.284
  389   1HB   LEU  49          2HB       LEU  49  -8.133   3.919   4.713
  390   2HB   LEU  49          1HB       LEU  49  -7.777   4.968   3.342
  391    HG   LEU  49           HG       LEU  49  -5.328   4.933   4.263
  392   1HD1  LEU  49          3HD1      LEU  49  -6.426   3.539   6.303
  393   2HD1  LEU  49          2HD1      LEU  49  -5.990   2.207   5.234
  394   3HD1  LEU  49          1HD1      LEU  49  -4.750   3.331   5.793
  395   1HD2  LEU  49          3HD2      LEU  49  -6.862   3.077   2.594
  396   2HD2  LEU  49          2HD2      LEU  49  -5.319   3.873   2.268
  397   3HD2  LEU  49          1HD2      LEU  49  -5.365   2.386   3.220
  398    H    VAL  50           H        VAL  50  -5.220   5.815   6.254
  399    HA   VAL  50           HA       VAL  50  -4.274   8.205   4.727
  400    HB   VAL  50           HB       VAL  50  -3.710   7.221   7.514
  401   1HG1  VAL  50          1HG1      VAL  50  -1.733   8.422   5.625
  402   2HG1  VAL  50          3HG1      VAL  50  -1.753   9.046   7.274
  403   3HG1  VAL  50          2HG1      VAL  50  -1.465   7.331   6.984
  404   1HG2  VAL  50          2HG2      VAL  50  -4.945   9.466   6.269
  405   2HG2  VAL  50          1HG2      VAL  50  -4.739   9.160   7.995
  406   3HG2  VAL  50          3HG2      VAL  50  -3.503  10.047   7.102
  407    H    LEU  51           H        LEU  51  -2.273   7.968   3.627
  408    HA   LEU  51           HA       LEU  51  -1.021   5.266   3.796
  409   1HB   LEU  51          2HB       LEU  51  -2.464   5.344   1.765
  410   2HB   LEU  51          1HB       LEU  51  -1.574   6.771   1.224
  411    HG   LEU  51           HG       LEU  51   0.539   5.289   1.481
  412   1HD1  LEU  51          3HD1      LEU  51  -1.606   3.407   2.043
  413   2HD1  LEU  51          2HD1      LEU  51  -0.559   2.858   0.720
  414   3HD1  LEU  51          1HD1      LEU  51   0.128   3.237   2.310
  415   1HD2  LEU  51          2HD2      LEU  51  -0.450   6.044  -0.664
  416   2HD2  LEU  51          1HD2      LEU  51   0.287   4.447  -0.772
  417   3HD2  LEU  51          3HD2      LEU  51  -1.469   4.597  -0.657
  418    H    GLU  52           H        GLU  52   0.184   6.965   5.244
  419    HA   GLU  52           HA       GLU  52   1.851   8.939   4.003
  420   1HB   GLU  52          2HB       GLU  52   1.563   9.095   6.362
  421   2HB   GLU  52          1HB       GLU  52   2.025   7.409   6.606
  422   1HG   GLU  52          2HG       GLU  52   4.255   7.880   6.539
  423   2HG   GLU  52          1HG       GLU  52   4.063   9.077   5.257
  424    H    TRP  53           H        TRP  53   2.706   7.790   2.103
  425    HA   TRP  53           HA       TRP  53   4.296   5.405   2.474
  426   1HB   TRP  53          2HB       TRP  53   3.143   6.322   0.298
  427   2HB   TRP  53          1HB       TRP  53   4.672   7.187   0.095
  428    HD1  TRP  53           HD1      TRP  53   6.914   5.440   0.598
  429    HE1  TRP  53           HE1      TRP  53   7.258   3.082  -0.387
  430    HE3  TRP  53           HE3      TRP  53   2.118   4.339  -0.729
  431    HZ2  TRP  53           HZ2      TRP  53   5.692   1.013  -1.576
  432    HZ3  TRP  53           HZ3      TRP  53   1.562   2.173  -1.783
  433    HH2  TRP  53           HH2      TRP  53   3.349   0.499  -2.209
  434    H    ARG  54           H        ARG  54   5.965   5.801   3.959
  435    HA   ARG  54           HA       ARG  54   7.554   8.181   4.019
  436   1HB   ARG  54          2HB       ARG  54   8.509   5.452   4.903
  437   2HB   ARG  54          1HB       ARG  54   8.955   7.027   5.560
  438   1HG   ARG  54          2HG       ARG  54   6.074   6.617   5.638
  439   2HG   ARG  54          1HG       ARG  54   6.933   5.352   6.518
  440   1HD   ARG  54          2HD       ARG  54   6.310   7.589   7.750
  441   2HD   ARG  54          1HD       ARG  54   7.894   6.861   8.018
  442    HE   ARG  54           HE       ARG  54   7.524   9.033   5.997
  443   1HH1  ARG  54          1HH2      ARG  54   9.940   7.254   7.284
  444   2HH1  ARG  54          2HH2      ARG  54  10.827   8.563   7.992
  445   1HH2  ARG  54          2HH1      ARG  54   8.292  10.883   7.526
  446   2HH2  ARG  54          1HH1      ARG  54   9.894  10.617   8.129
  447    H    GLN  55           H        GLN  55   8.997   8.845   2.527
  448    HA   GLN  55           HA       GLN  55  10.369   8.751   0.605
  449   1HB   GLN  55          2HB       GLN  55  11.532   6.475   2.236
  450   2HB   GLN  55          1HB       GLN  55  12.369   7.384   0.977
  451   1HG   GLN  55          2HG       GLN  55  12.202   9.434   2.276
  452   2HG   GLN  55          1HG       GLN  55  11.222   8.621   3.496
  453   1HE2  GLN  55          1HE2      GLN  55  14.192   7.440   1.844
  454   2HE2  GLN  55          2HE2      GLN  55  15.090   7.246   3.271
  455    H    PHE  56           H        PHE  56   8.984   8.045  -1.065
  456    HA   PHE  56           HA       PHE  56   8.314   5.234  -1.400
  457   1HB   PHE  56          2HB       PHE  56   7.016   7.301  -2.267
  458   2HB   PHE  56          1HB       PHE  56   8.189   7.306  -3.586
  459    HD1  PHE  56           HD2      PHE  56   8.426   5.286  -5.056
  460    HD2  PHE  56           HD1      PHE  56   5.290   5.650  -2.147
  461    HE1  PHE  56           HE2      PHE  56   7.177   3.466  -6.174
  462    HE2  PHE  56           HE1      PHE  56   4.041   3.830  -3.265
  463    HZ   PHE  56           HZ       PHE  56   4.982   2.738  -5.281
  464    H    GLU  57           H        GLU  57  10.835   7.386  -2.584
  465    HA   GLU  57           HA       GLU  57  11.846   6.084  -4.799
  466   1HB   GLU  57          2HB       GLU  57  12.857   7.910  -2.897
  467   2HB   GLU  57          1HB       GLU  57  14.043   6.608  -2.994
  468   1HG   GLU  57          2HG       GLU  57  13.647   6.875  -5.598
  469   2HG   GLU  57          1HG       GLU  57  13.121   8.492  -5.133
  470    H    GLN  58           H        GLN  58  13.025   5.311  -1.500
  471    HA   GLN  58           HA       GLN  58  14.184   2.811  -2.349
  472   1HB   GLN  58          2HB       GLN  58  14.152   2.371   0.207
  473   2HB   GLN  58          1HB       GLN  58  15.129   3.714  -0.386
  474   1HG   GLN  58          2HG       GLN  58  13.611   5.325   0.365
  475   2HG   GLN  58          1HG       GLN  58  12.263   4.187   0.387
  476   1HE2  GLN  58          2HE2      GLN  58  14.983   3.631   3.421
  477   2HE2  GLN  58          1HE2      GLN  58  15.544   3.849   1.833
  478    H    SER  59           H        SER  59  13.454   0.661  -1.554
  479    HA   SER  59           HA       SER  59  11.803  -0.944  -1.004
  480   1HB   SER  59          2HB       SER  59  10.743   1.104   0.278
  481   2HB   SER  59          1HB       SER  59   9.633   1.126  -1.095
  482    HG   SER  59           HG       SER  59   8.901  -0.226   0.612
  483    H    LYS  60           H        LYS  60  11.146   1.564  -3.406
  484    HA   LYS  60           HA       LYS  60   9.421  -0.193  -4.993
  485   1HB   LYS  60          2HB       LYS  60   9.008   2.215  -4.947
  486   2HB   LYS  60          1HB       LYS  60  10.626   2.516  -5.590
  487   1HG   LYS  60          2HG       LYS  60   9.455   0.645  -7.341
  488   2HG   LYS  60          1HG       LYS  60   8.200   1.842  -7.020
  489   1HD   LYS  60          2HD       LYS  60  11.027   2.635  -7.737
  490   2HD   LYS  60          1HD       LYS  60   9.790   2.362  -8.963
  491   1HE   LYS  60          2HE       LYS  60   8.372   4.081  -7.979
  492   2HE   LYS  60          1HE       LYS  60   9.508   4.299  -6.649
  493   1HZ   LYS  60          3HZ       LYS  60  11.076   4.604  -8.817
  494   2HZ   LYS  60          2HZ       LYS  60   9.620   5.301  -9.347
  495   3HZ   LYS  60          1HZ       LYS  60  10.379   5.877  -7.941
  496    H    GLN  61           H        GLN  61  12.822   0.650  -4.899
  497    HA   GLN  61           HA       GLN  61  13.353  -0.252  -7.623
  498   1HB   GLN  61          2HB       GLN  61  15.021   0.662  -5.313
  499   2HB   GLN  61          1HB       GLN  61  15.796  -0.180  -6.655
  500   1HG   GLN  61          2HG       GLN  61  15.087   1.462  -8.231
  501   2HG   GLN  61          1HG       GLN  61  13.950   2.175  -7.085
  502   1HE2  GLN  61          2HE2      GLN  61  16.429   4.099  -5.405
  503   2HE2  GLN  61          1HE2      GLN  61  14.844   3.497  -5.325
  504    H    LEU  62           H        LEU  62  14.552  -1.446  -4.548
  505    HA   LEU  62           HA       LEU  62  15.662  -3.833  -5.247
  506   1HB   LEU  62          2HB       LEU  62  14.196  -4.633  -3.016
  507   2HB   LEU  62          1HB       LEU  62  15.803  -3.906  -3.000
  508    HG   LEU  62           HG       LEU  62  14.825  -1.679  -2.805
  509   1HD1  LEU  62          3HD1      LEU  62  12.465  -3.120  -3.672
  510   2HD1  LEU  62          2HD1      LEU  62  12.131  -2.198  -2.219
  511   3HD1  LEU  62          1HD1      LEU  62  12.751  -1.380  -3.653
  512   1HD2  LEU  62          1HD2      LEU  62  13.726  -3.730  -0.868
  513   2HD2  LEU  62          3HD2      LEU  62  15.204  -2.783  -0.700
  514   3HD2  LEU  62          2HD2      LEU  62  13.632  -1.989  -0.596
  515    H    THR  63           H        THR  63  12.276  -3.120  -5.456
  516    HA   THR  63           HA       THR  63  11.701  -5.968  -6.103
  517    HB   THR  63           HB       THR  63  10.290  -4.725  -4.392
  518    HG1  THR  63           HG1      THR  63   8.294  -5.303  -5.859
  519   1HG2  THR  63          1HG2      THR  63  10.146  -2.869  -6.577
  520   2HG2  THR  63          3HG2      THR  63   8.523  -3.435  -6.185
  521   3HG2  THR  63          2HG2      THR  63   9.523  -2.690  -4.938
  522    H    GLU  64           H        GLU  64   9.245  -4.776  -7.601
  523    HA   GLU  64           HA       GLU  64  10.465  -3.495  -9.925
  524   1HB   GLU  64          2HB       GLU  64   9.595  -5.397 -11.437
  525   2HB   GLU  64          1HB       GLU  64  11.094  -5.696 -10.556
  526   1HG   GLU  64          2HG       GLU  64  10.023  -7.067  -8.959
  527   2HG   GLU  64          1HG       GLU  64   8.422  -6.461  -9.385
  528    H    ASN  65           H        ASN  65   8.787  -1.975  -9.184
  529    HA   ASN  65           HA       ASN  65   6.718  -0.959  -9.703
  530   1HB   ASN  65          2HB       ASN  65   6.863  -3.065 -11.545
  531   2HB   ASN  65          1HB       ASN  65   5.309  -3.281 -10.740
  532   1HD2  ASN  65          2HD2      ASN  65   4.890  -0.846 -13.580
  533   2HD2  ASN  65          1HD2      ASN  65   5.456  -2.443 -13.480
  534    H    GLY  66           H        GLY  66   7.353  -3.446  -7.640
  535   1HA   GLY  66          2HA       GLY  66   4.813  -4.319  -6.724
  536   2HA   GLY  66          1HA       GLY  66   6.258  -4.215  -5.711
  537    H    ALA  67           H        ALA  67   6.820  -1.867  -5.056
  538    HA   ALA  67           HA       ALA  67   4.680  -0.769  -3.544
  539   1HB   ALA  67          3HB       ALA  67   7.345   0.335  -4.432
  540   2HB   ALA  67          2HB       ALA  67   6.219   1.311  -3.488
  541   3HB   ALA  67          1HB       ALA  67   6.858  -0.192  -2.821
  542    H    GLU  68           H        GLU  68   6.040   0.280  -6.682
  543    HA   GLU  68           HA       GLU  68   4.417   2.550  -7.041
  544   1HB   GLU  68          2HB       GLU  68   6.360   1.843  -8.492
  545   2HB   GLU  68          1HB       GLU  68   5.285   0.660  -9.238
  546   1HG   GLU  68          2HG       GLU  68   5.081   2.499 -10.678
  547   2HG   GLU  68          1HG       GLU  68   3.697   2.704  -9.604
  548    H    SER  69           H        SER  69   3.620  -0.824  -7.219
  549    HA   SER  69           HA       SER  69   1.147  -0.340  -8.727
  550   1HB   SER  69          2HB       SER  69   1.593  -2.506  -9.227
  551   2HB   SER  69          1HB       SER  69   2.702  -2.666  -7.870
  552    HG   SER  69           HG       SER  69   1.155  -3.527  -6.737
  553    H    VAL  70           H        VAL  70   1.893  -1.451  -5.371
  554    HA   VAL  70           HA       VAL  70  -0.756  -1.456  -4.459
  555    HB   VAL  70           HB       VAL  70   1.726  -0.536  -2.963
  556   1HG1  VAL  70          3HG1      VAL  70  -1.118  -0.523  -2.270
  557   2HG1  VAL  70          2HG1      VAL  70  -0.151  -1.424  -1.116
  558   3HG1  VAL  70          1HG1      VAL  70   0.228   0.271  -1.446
  559   1HG2  VAL  70          1HG2      VAL  70   1.308  -3.018  -3.861
  560   2HG2  VAL  70          3HG2      VAL  70   1.984  -2.738  -2.257
  561   3HG2  VAL  70          2HG2      VAL  70   0.269  -3.104  -2.439
  562    H    LEU  71           H        LEU  71   1.488   1.086  -5.165
  563    HA   LEU  71           HA       LEU  71  -0.121   3.128  -3.954
  564   1HB   LEU  71          2HB       LEU  71   2.404   3.222  -4.400
  565   2HB   LEU  71          1HB       LEU  71   1.971   3.602  -6.069
  566    HG   LEU  71           HG       LEU  71   0.864   5.604  -5.437
  567   1HD1  LEU  71          2HD1      LEU  71   0.802   4.305  -2.753
  568   2HD1  LEU  71          1HD1      LEU  71   0.861   6.070  -2.806
  569   3HD1  LEU  71          3HD1      LEU  71  -0.465   5.206  -3.597
  570   1HD2  LEU  71          1HD2      LEU  71   3.459   5.426  -5.178
  571   2HD2  LEU  71          3HD2      LEU  71   2.638   6.865  -4.576
  572   3HD2  LEU  71          2HD2      LEU  71   3.122   5.592  -3.456
  573    H    GLN  72           H        GLN  72   0.366   2.028  -7.336
  574    HA   GLN  72           HA       GLN  72  -1.266   3.983  -8.549
  575   1HB   GLN  72          2HB       GLN  72  -0.555   1.163  -9.176
  576   2HB   GLN  72          1HB       GLN  72  -1.970   1.817 -10.001
  577   1HG   GLN  72          2HG       GLN  72  -0.166   3.883 -10.234
  578   2HG   GLN  72          1HG       GLN  72   0.876   2.466 -10.367
  579   1HE2  GLN  72          2HE2      GLN  72  -1.393   1.288 -13.166
  580   2HE2  GLN  72          1HE2      GLN  72  -1.124   0.713 -11.591
  581    H    VAL  73           H        VAL  73  -2.078   1.184  -6.667
  582    HA   VAL  73           HA       VAL  73  -4.953   1.394  -7.162
  583    HB   VAL  73           HB       VAL  73  -3.387  -0.256  -5.164
  584   1HG1  VAL  73          3HG1      VAL  73  -5.814   0.191  -4.612
  585   2HG1  VAL  73          2HG1      VAL  73  -6.222  -0.597  -6.136
  586   3HG1  VAL  73          1HG1      VAL  73  -5.416  -1.508  -4.864
  587   1HG2  VAL  73          1HG2      VAL  73  -3.656  -0.392  -7.976
  588   2HG2  VAL  73          3HG2      VAL  73  -2.964  -1.614  -6.909
  589   3HG2  VAL  73          2HG2      VAL  73  -4.683  -1.673  -7.322
  590    H    PHE  74           H        PHE  74  -2.841   2.085  -4.349
  591    HA   PHE  74           HA       PHE  74  -4.805   2.854  -2.534
  592   1HB   PHE  74          2HB       PHE  74  -1.931   3.384  -2.944
  593   2HB   PHE  74          1HB       PHE  74  -2.781   4.639  -2.058
  594    HD1  PHE  74           HD2      PHE  74  -3.901   4.144   0.078
  595    HD2  PHE  74           HD1      PHE  74  -1.694   1.165  -2.043
  596    HE1  PHE  74           HE2      PHE  74  -3.925   2.685   2.074
  597    HE2  PHE  74           HE1      PHE  74  -1.718  -0.299  -0.056
  598    HZ   PHE  74           HZ       PHE  74  -2.855   0.474   2.000
  599    H    ARG  75           H        ARG  75  -2.980   4.827  -4.836
  600    HA   ARG  75           HA       ARG  75  -4.485   7.217  -4.502
  601   1HB   ARG  75          2HB       ARG  75  -2.573   6.137  -6.485
  602   2HB   ARG  75          1HB       ARG  75  -3.712   7.317  -7.133
  603   1HG   ARG  75          2HG       ARG  75  -2.898   9.033  -5.826
  604   2HG   ARG  75          1HG       ARG  75  -2.411   7.948  -4.523
  605   1HD   ARG  75          2HD       ARG  75  -0.374   7.491  -5.477
  606   2HD   ARG  75          1HD       ARG  75  -0.997   7.627  -7.122
  607    HE   ARG  75           HE       ARG  75  -0.402  10.003  -5.402
  608   1HH1  ARG  75          1HH1      ARG  75  -0.655  10.186  -9.295
  609   2HH1  ARG  75          2HH1      ARG  75  -1.763   9.274  -8.325
  610   1HH2  ARG  75          1HH2      ARG  75   1.546  10.790  -6.686
  611   2HH2  ARG  75          2HH2      ARG  75   1.218  11.043  -8.368
  612    H    GLU  76           H        GLU  76  -4.909   4.409  -6.725
  613    HA   GLU  76           HA       GLU  76  -7.107   5.456  -8.202
  614   1HB   GLU  76          2HB       GLU  76  -6.348   2.657  -7.372
  615   2HB   GLU  76          1HB       GLU  76  -7.810   2.968  -8.307
  616   1HG   GLU  76          2HG       GLU  76  -5.266   4.210  -9.243
  617   2HG   GLU  76          1HG       GLU  76  -5.485   2.480  -9.500
  618    H    ALA  77           H        ALA  77  -6.912   4.292  -4.939
  619    HA   ALA  77           HA       ALA  77  -9.800   3.968  -4.613
  620   1HB   ALA  77          2HB       ALA  77  -7.499   4.013  -2.621
  621   2HB   ALA  77          1HB       ALA  77  -9.169   3.628  -2.205
  622   3HB   ALA  77          3HB       ALA  77  -8.267   2.577  -3.296
  623    H    LYS  78           H        LYS  78  -7.361   6.260  -3.311
  624    HA   LYS  78           HA       LYS  78  -9.378   8.020  -2.232
  625   1HB   LYS  78          2HB       LYS  78  -7.459   8.586  -1.165
  626   2HB   LYS  78          1HB       LYS  78  -6.453   7.953  -2.459
  627   1HG   LYS  78          2HG       LYS  78  -7.913  10.590  -2.715
  628   2HG   LYS  78          1HG       LYS  78  -6.303  10.478  -2.006
  629   1HD   LYS  78          2HD       LYS  78  -6.635   9.058  -4.579
  630   2HD   LYS  78          1HD       LYS  78  -6.756  10.816  -4.672
  631   1HE   LYS  78          2HE       LYS  78  -4.591  10.394  -2.974
  632   2HE   LYS  78          1HE       LYS  78  -4.406   9.146  -4.206
  633   1HZ   LYS  78          2HZ       LYS  78  -4.854  12.027  -4.773
  634   2HZ   LYS  78          1HZ       LYS  78  -3.338  11.259  -4.810
  635   3HZ   LYS  78          3HZ       LYS  78  -4.544  10.805  -5.914
  636    H    ALA  79           H        ALA  79  -8.477   7.331  -5.386
  637    HA   ALA  79           HA       ALA  79  -9.090  10.043  -6.432
  638   1HB   ALA  79          3HB       ALA  79  -7.251   8.340  -7.317
  639   2HB   ALA  79          2HB       ALA  79  -8.629   7.648  -8.182
  640   3HB   ALA  79          1HB       ALA  79  -8.168   9.332  -8.451
  641    H    GLU  80           H        GLU  80  -9.998   6.758  -7.367
  642    HA   GLU  80           HA       GLU  80 -12.333   7.332  -8.748
  643   1HB   GLU  80          2HB       GLU  80 -11.911   4.925  -6.956
  644   2HB   GLU  80          1HB       GLU  80 -12.955   5.036  -8.369
  645   1HG   GLU  80          2HG       GLU  80 -10.192   5.811  -8.940
  646   2HG   GLU  80          1HG       GLU  80 -10.353   4.136  -8.409
  647    H    GLY  81           H        GLY  81 -12.235   6.312  -5.279
  648   1HA   GLY  81          2HA       GLY  81 -14.354   8.275  -4.704
  649   2HA   GLY  81          1HA       GLY  81 -14.878   6.593  -4.598
  650    H    ALA  82           H        ALA  82 -12.440   5.520  -3.551
  651    HA   ALA  82           HA       ALA  82 -12.792   5.569  -0.836
  652   1HB   ALA  82          2HB       ALA  82 -10.814   4.611  -2.535
  653   2HB   ALA  82          1HB       ALA  82  -9.937   5.691  -1.447
  654   3HB   ALA  82          3HB       ALA  82 -10.889   4.358  -0.793
  655    H    ASP  83           H        ASP  83 -11.717   6.677   0.922
  656    HA   ASP  83           HA       ASP  83 -10.984   9.501   0.254
  657   1HB   ASP  83          2HB       ASP  83 -12.435   8.264   2.594
  658   2HB   ASP  83          1HB       ASP  83 -11.563   9.784   2.801
  659    H    ILE  84           H        ILE  84  -8.917   8.071  -0.159
  660    HA   ILE  84           HA       ILE  84  -7.454   7.555   2.372
  661    HB   ILE  84           HB       ILE  84  -6.914   6.791  -0.511
  662   1HG1  ILE  84          2HG1      ILE  84  -7.242   4.749   1.584
  663   2HG1  ILE  84          1HG1      ILE  84  -8.687   5.715   1.276
  664   1HG2  ILE  84          2HG2      ILE  84  -4.858   7.187   1.006
  665   2HG2  ILE  84          1HG2      ILE  84  -5.428   5.789   1.920
  666   3HG2  ILE  84          3HG2      ILE  84  -4.985   5.616   0.220
  667   1HD1  ILE  84          3HD1      ILE  84  -7.861   5.244  -1.267
  668   2HD1  ILE  84          2HD1      ILE  84  -7.304   3.772  -0.474
  669   3HD1  ILE  84          1HD1      ILE  84  -9.009   4.215  -0.413
  670    H    THR  85           H        THR  85  -5.275   8.375   2.615
  671    HA   THR  85           HA       THR  85  -4.822  10.915   1.111
  672    HB   THR  85           HB       THR  85  -3.425  10.314   3.694
  673    HG1  THR  85           HG1      THR  85  -5.535   9.837   4.206
  674   1HG2  THR  85          1HG2      THR  85  -3.698  12.503   1.934
  675   2HG2  THR  85          3HG2      THR  85  -4.605  12.930   3.385
  676   3HG2  THR  85          2HG2      THR  85  -2.901  12.492   3.508
  677    H    ILE  86           H        ILE  86  -3.759   9.698  -0.595
  678    HA   ILE  86           HA       ILE  86  -1.480   8.015  -0.043
  679    HB   ILE  86           HB       ILE  86  -2.853   9.094  -2.438
  680   1HG1  ILE  86          2HG1      ILE  86  -2.878   6.837  -3.088
  681   2HG1  ILE  86          1HG1      ILE  86  -1.428   6.453  -2.167
  682   1HG2  ILE  86          1HG2      ILE  86   0.109   8.734  -2.319
  683   2HG2  ILE  86          3HG2      ILE  86  -0.728   8.094  -3.733
  684   3HG2  ILE  86          2HG2      ILE  86  -0.853   9.807  -3.335
  685   1HD1  ILE  86          2HD1      ILE  86  -3.628   7.436  -0.485
  686   2HD1  ILE  86          1HD1      ILE  86  -4.025   5.955  -1.352
  687   3HD1  ILE  86          3HD1      ILE  86  -2.621   5.999  -0.282
  688    H    ILE  87           H        ILE  87   0.232   8.908   0.995
  689    HA   ILE  87           HA       ILE  87   1.158  11.594   0.047
  690    HB   ILE  87           HB       ILE  87   1.550  10.129   2.660
  691   1HG1  ILE  87          2HG1      ILE  87  -0.543  11.444   2.308
  692   2HG1  ILE  87          1HG1      ILE  87   0.468  12.112   3.589
  693   1HG2  ILE  87          3HG2      ILE  87   3.026  12.482   1.492
  694   2HG2  ILE  87          2HG2      ILE  87   2.850  12.297   3.237
  695   3HG2  ILE  87          1HG2      ILE  87   3.688  11.061   2.299
  696   1HD1  ILE  87          1HD1      ILE  87   1.422  13.348   1.284
  697   2HD1  ILE  87          3HD1      ILE  87  -0.325  13.309   1.047
  698   3HD1  ILE  87          2HD1      ILE  87   0.353  14.078   2.483
  699    H    LEU  88           H        LEU  88   3.131  11.745  -0.935
  700    HA   LEU  88           HA       LEU  88   4.974   9.407  -0.739
  701   1HB   LEU  88          2HB       LEU  88   4.422  10.879  -3.327
  702   2HB   LEU  88          1HB       LEU  88   5.325   9.379  -3.109
  703    HG   LEU  88           HG       LEU  88   2.426   9.587  -2.303
  704   1HD1  LEU  88          3HD1      LEU  88   3.541   8.801  -5.012
  705   2HD1  LEU  88          2HD1      LEU  88   1.861   8.611  -4.510
  706   3HD1  LEU  88          1HD1      LEU  88   2.555  10.223  -4.673
  707   1HD2  LEU  88          3HD2      LEU  88   3.881   7.687  -1.520
  708   2HD2  LEU  88          2HD2      LEU  88   2.512   7.170  -2.504
  709   3HD2  LEU  88          1HD2      LEU  88   4.126   7.245  -3.209
  710    H    SER  89           HN       SER  89   5.966  11.017   0.814
  711    HA   SER  89           HA       SER  89   8.017  12.569  -0.609
  712   1HB   SER  89          2HB       SER  89   5.858  14.017  -0.145
  713   2HB   SER  89          1HB       SER  89   6.486  14.057   1.504
  714    HG   SER  89           HG       SER  89   7.258  15.786   0.176
   
  No H/Q in entry =         714
  Start of MODEL   10
    1   1H    LYS   1          2H        LYS   1  -8.348   4.821   7.854
    2   2H    LYS   1          1H        LYS   1  -9.278   3.507   8.397
    3   3H    LYS   1          3H        LYS   1  -8.819   4.726   9.484
    4    HA   LYS   1           HA       LYS   1  -7.267   3.171  10.019
    5   1HB   LYS   1          2HB       LYS   1  -7.699   2.318   7.178
    6   2HB   LYS   1          1HB       LYS   1  -6.200   1.852   7.982
    7   1HG   LYS   1          2HG       LYS   1  -8.978   1.341   9.086
    8   2HG   LYS   1          1HG       LYS   1  -7.988   0.139   8.255
    9   1HD   LYS   1          2HD       LYS   1  -6.174   0.764  10.023
   10   2HD   LYS   1          1HD       LYS   1  -7.530   1.430  10.934
   11   1HE   LYS   1          2HE       LYS   1  -8.456  -0.634  11.332
   12   2HE   LYS   1          1HE       LYS   1  -7.890  -1.299   9.800
   13   1HZ   LYS   1          2HZ       LYS   1  -5.572  -0.966  10.926
   14   2HZ   LYS   1          1HZ       LYS   1  -6.481  -1.055  12.359
   15   3HZ   LYS   1          3HZ       LYS   1  -6.506  -2.346  11.260
   16    H    LYS   2           H        LYS   2  -4.835   3.076   9.620
   17    HA   LYS   2           HA       LYS   2  -3.867   5.353   7.964
   18   1HB   LYS   2          2HB       LYS   2  -3.993   6.403  10.085
   19   2HB   LYS   2          1HB       LYS   2  -3.444   4.956  10.929
   20   1HG   LYS   2          2HG       LYS   2  -1.262   5.472  10.612
   21   2HG   LYS   2          1HG       LYS   2  -1.526   5.912   8.925
   22   1HD   LYS   2          2HD       LYS   2  -2.573   8.067   9.761
   23   2HD   LYS   2          1HD       LYS   2  -1.989   7.636  11.369
   24   1HE   LYS   2          2HE       LYS   2   0.013   7.468   9.187
   25   2HE   LYS   2          1HE       LYS   2  -0.531   9.093   9.605
   26   1HZ   LYS   2          3HZ       LYS   2  -0.062   7.563  11.943
   27   2HZ   LYS   2          2HZ       LYS   2   1.320   7.558  10.954
   28   3HZ   LYS   2          1HZ       LYS   2   0.642   9.029  11.465
   29    H    ALA   3           H        ALA   3  -2.693   4.112   6.532
   30    HA   ALA   3           HA       ALA   3  -0.881   2.024   7.631
   31   1HB   ALA   3          2HB       ALA   3  -2.492   1.753   5.557
   32   2HB   ALA   3          1HB       ALA   3  -1.191   2.579   4.698
   33   3HB   ALA   3          3HB       ALA   3  -0.877   1.048   5.515
   34    H    VAL   4           H        VAL   4   1.358   2.233   7.460
   35    HA   VAL   4           HA       VAL   4   2.368   4.696   6.110
   36    HB   VAL   4           HB       VAL   4   3.250   3.654   8.821
   37   1HG1  VAL   4          3HG1      VAL   4   4.576   5.265   6.870
   38   2HG1  VAL   4          2HG1      VAL   4   4.133   6.307   8.221
   39   3HG1  VAL   4          1HG1      VAL   4   5.115   4.870   8.503
   40   1HG2  VAL   4          3HG2      VAL   4   1.203   5.561   7.961
   41   2HG2  VAL   4          2HG2      VAL   4   1.479   4.860   9.555
   42   3HG2  VAL   4          1HG2      VAL   4   2.382   6.289   9.053
   43    H    ILE   5           H        ILE   5   3.773   4.074   4.567
   44    HA   ILE   5           HA       ILE   5   5.040   1.434   4.661
   45    HB   ILE   5           HB       ILE   5   4.970   3.690   2.653
   46   1HG1  ILE   5          2HG1      ILE   5   4.185   1.283   1.543
   47   2HG1  ILE   5          1HG1      ILE   5   3.558   1.216   3.187
   48   1HG2  ILE   5          3HG2      ILE   5   6.765   1.310   2.809
   49   2HG2  ILE   5          2HG2      ILE   5   6.102   1.753   1.233
   50   3HG2  ILE   5          1HG2      ILE   5   7.080   2.911   2.137
   51   1HD1  ILE   5          1HD1      ILE   5   3.158   3.765   1.732
   52   2HD1  ILE   5          3HD1      ILE   5   2.221   2.378   1.170
   53   3HD1  ILE   5          2HD1      ILE   5   2.083   2.919   2.843
   54    H    ASN   6           H        ASN   6   6.862   1.222   5.845
   55    HA   ASN   6           HA       ASN   6   8.631   3.591   6.070
   56   1HB   ASN   6          2HB       ASN   6   9.129   1.093   7.638
   57   2HB   ASN   6          1HB       ASN   6   9.378   2.774   8.108
   58   1HD2  ASN   6          2HD2      ASN   6   6.427   2.610   9.993
   59   2HD2  ASN   6          1HD2      ASN   6   8.079   2.997   9.926
   60    H    GLY   7           H        GLY   7   9.718   3.426   4.081
   61   1HA   GLY   7          2HA       GLY   7  10.753   0.945   3.074
   62   2HA   GLY   7          1HA       GLY   7  11.226   2.556   2.515
   63    H    GLU   8           H        GLU   8  11.678   2.836   5.693
   64    HA   GLU   8           HA       GLU   8  14.546   2.426   5.466
   65   1HB   GLU   8          2HB       GLU   8  13.868   4.338   6.733
   66   2HB   GLU   8          1HB       GLU   8  12.763   3.375   7.714
   67   1HG   GLU   8          2HG       GLU   8  14.532   2.313   8.873
   68   2HG   GLU   8          1HG       GLU   8  15.726   2.807   7.672
   69    H    GLN   9           H        GLN   9  11.906   0.522   6.374
   70    HA   GLN   9           HA       GLN   9  13.725  -1.402   7.751
   71   1HB   GLN   9          2HB       GLN   9  11.728  -0.224   9.051
   72   2HB   GLN   9          1HB       GLN   9  10.780  -1.476   8.246
   73   1HG   GLN   9          2HG       GLN   9  13.250  -2.539   9.380
   74   2HG   GLN   9          1HG       GLN   9  12.227  -1.789  10.606
   75   1HE2  GLN   9          2HE2      GLN   9  10.345  -4.765  10.720
   76   2HE2  GLN   9          1HE2      GLN   9  11.246  -3.610  11.575
   77    H    ILE  10           H        ILE  10  11.357  -0.873   5.298
   78    HA   ILE  10           HA       ILE  10  10.566  -3.566   4.802
   79    HB   ILE  10           HB       ILE  10  10.889  -1.241   2.882
   80   1HG1  ILE  10          2HG1      ILE  10   9.215  -0.992   4.734
   81   2HG1  ILE  10          1HG1      ILE  10   8.473  -1.018   3.136
   82   1HG2  ILE  10          1HG2      ILE  10   9.802  -4.035   2.531
   83   2HG2  ILE  10          3HG2      ILE  10   9.212  -2.700   1.539
   84   3HG2  ILE  10          2HG2      ILE  10  10.918  -3.147   1.490
   85   1HD1  ILE  10          2HD1      ILE  10   8.358  -3.628   3.616
   86   2HD1  ILE  10          1HD1      ILE  10   8.415  -3.090   5.293
   87   3HD1  ILE  10          3HD1      ILE  10   7.117  -2.539   4.234
   88    H    ARG  11           H        ARG  11  12.160  -5.090   4.720
   89    HA   ARG  11           HA       ARG  11  14.766  -4.646   3.539
   90   1HB   ARG  11          2HB       ARG  11  13.763  -7.435   3.560
   91   2HB   ARG  11          1HB       ARG  11  15.256  -6.772   4.232
   92   1HG   ARG  11          2HG       ARG  11  13.793  -5.715   6.046
   93   2HG   ARG  11          1HG       ARG  11  12.498  -6.759   5.452
   94   1HD   ARG  11          2HD       ARG  11  14.075  -8.721   5.759
   95   2HD   ARG  11          1HD       ARG  11  15.172  -7.618   6.589
   96    HE   ARG  11           HE       ARG  11  12.651  -8.664   7.655
   97   1HH1  ARG  11          1HH2      ARG  11  12.682  -5.623   7.880
   98   2HH1  ARG  11          2HH2      ARG  11  13.389  -5.410   9.446
   99   1HH2  ARG  11          2HH1      ARG  11  14.599  -8.655   9.632
  100   2HH2  ARG  11          1HH1      ARG  11  14.475  -7.127  10.438
  101    H    SER  12           H        SER  12  11.772  -6.171   2.447
  102    HA   SER  12           HA       SER  12  12.621  -5.687  -0.355
  103   1HB   SER  12          2HB       SER  12  12.194  -7.944  -1.060
  104   2HB   SER  12          1HB       SER  12  13.281  -8.041   0.323
  105    HG   SER  12           HG       SER  12  11.796  -9.209   1.221
  106    H    ILE  13           H        ILE  13  10.769  -5.919  -1.864
  107    HA   ILE  13           HA       ILE  13   8.507  -4.483  -1.219
  108    HB   ILE  13           HB       ILE  13   9.129  -5.294  -3.492
  109   1HG1  ILE  13          2HG1      ILE  13   6.744  -4.497  -2.728
  110   2HG1  ILE  13          1HG1      ILE  13   6.943  -5.226  -4.317
  111   1HG2  ILE  13          3HG2      ILE  13   8.059  -7.890  -2.380
  112   2HG2  ILE  13          2HG2      ILE  13   8.254  -7.591  -4.108
  113   3HG2  ILE  13          1HG2      ILE  13   9.663  -7.581  -3.046
  114   1HD1  ILE  13          1HD1      ILE  13   6.352  -7.461  -3.169
  115   2HD1  ILE  13          3HD1      ILE  13   5.801  -6.470  -1.821
  116   3HD1  ILE  13          2HD1      ILE  13   5.050  -6.302  -3.403
  117    H    SER  14           H        SER  14   9.095  -7.897  -0.543
  118    HA   SER  14           HA       SER  14   6.513  -8.756   0.134
  119   1HB   SER  14          2HB       SER  14   8.648 -10.131   0.150
  120   2HB   SER  14          1HB       SER  14   8.991  -9.439   1.732
  121    HG   SER  14           HG       SER  14   7.813 -11.500   1.687
  122    H    ASP  15           H        ASP  15   8.887  -7.245   2.369
  123    HA   ASP  15           HA       ASP  15   7.139  -7.126   4.594
  124   1HB   ASP  15          2HB       ASP  15   9.733  -6.027   3.822
  125   2HB   ASP  15          1HB       ASP  15   8.827  -4.949   4.874
  126    H    LEU  16           H        LEU  16   7.305  -5.205   1.748
  127    HA   LEU  16           HA       LEU  16   6.008  -2.829   2.732
  128   1HB   LEU  16          2HB       LEU  16   7.224  -2.933   0.567
  129   2HB   LEU  16          1HB       LEU  16   6.008  -4.040  -0.054
  130    HG   LEU  16           HG       LEU  16   4.708  -2.316  -0.679
  131   1HD1  LEU  16          1HD1      LEU  16   4.977  -1.387   2.187
  132   2HD1  LEU  16          3HD1      LEU  16   4.083  -0.458   0.978
  133   3HD1  LEU  16          2HD1      LEU  16   3.568  -2.091   1.393
  134   1HD2  LEU  16          3HD2      LEU  16   7.266  -1.106   0.010
  135   2HD2  LEU  16          2HD2      LEU  16   6.239  -0.839  -1.399
  136   3HD2  LEU  16          1HD2      LEU  16   5.934   0.047   0.095
  137    H    HIS  17           H        HIS  17   4.725  -5.452   0.705
  138    HA   HIS  17           HA       HIS  17   1.995  -4.746   1.112
  139   1HB   HIS  17          2HB       HIS  17   3.244  -7.389   0.329
  140   2HB   HIS  17          1HB       HIS  17   1.521  -7.011   0.195
  141    HD1  HIS  17           HD1      HIS  17   0.955  -6.319  -2.137
  142    HD2  HIS  17           HD2      HIS  17   4.763  -5.020  -1.059
  143    HE1  HIS  17           HE1      HIS  17   1.877  -5.044  -4.125
  144    H    GLN  18           H        GLN  18   4.243  -6.290   3.144
  145    HA   GLN  18           HA       GLN  18   2.241  -7.706   4.754
  146   1HB   GLN  18          2HB       GLN  18   5.184  -7.104   5.147
  147   2HB   GLN  18          1HB       GLN  18   4.212  -7.913   6.377
  148   1HG   GLN  18          2HG       GLN  18   3.579  -9.627   4.642
  149   2HG   GLN  18          1HG       GLN  18   4.746  -8.875   3.554
  150   1HE2  GLN  18          2HE2      GLN  18   6.857 -11.401   5.032
  151   2HE2  GLN  18          1HE2      GLN  18   5.789 -11.140   3.738
  152    H    THR  19           H        THR  19   3.916  -4.697   4.646
  153    HA   THR  19           HA       THR  19   3.079  -3.714   7.237
  154    HB   THR  19           HB       THR  19   4.375  -2.549   4.800
  155    HG1  THR  19           HG1      THR  19   5.775  -1.826   6.586
  156   1HG2  THR  19          1HG2      THR  19   2.648  -1.064   6.659
  157   2HG2  THR  19          3HG2      THR  19   4.277  -0.403   6.519
  158   3HG2  THR  19          2HG2      THR  19   3.274  -0.589   5.079
  159    H    LEU  20           H        LEU  20   1.822  -3.661   3.996
  160    HA   LEU  20           HA       LEU  20  -0.363  -1.814   4.625
  161   1HB   LEU  20          2HB       LEU  20  -0.579  -3.706   2.318
  162   2HB   LEU  20          1HB       LEU  20  -1.009  -1.995   2.408
  163    HG   LEU  20           HG       LEU  20   1.783  -3.115   2.332
  164   1HD1  LEU  20          2HD1      LEU  20  -0.008  -2.693   0.249
  165   2HD1  LEU  20          1HD1      LEU  20   1.030  -1.266   0.236
  166   3HD1  LEU  20          3HD1      LEU  20   1.740  -2.874   0.103
  167   1HD2  LEU  20          3HD2      LEU  20   0.705  -0.303   2.534
  168   2HD2  LEU  20          2HD2      LEU  20   1.804  -1.113   3.651
  169   3HD2  LEU  20          1HD2      LEU  20   2.362  -0.654   2.042
  170    H    LYS  21           H        LYS  21   0.191  -5.260   4.435
  171    HA   LYS  21           HA       LYS  21  -2.554  -6.067   4.868
  172   1HB   LYS  21          2HB       LYS  21  -1.069  -7.711   3.968
  173   2HB   LYS  21          1HB       LYS  21   0.117  -7.444   5.251
  174   1HG   LYS  21          2HG       LYS  21  -1.077  -8.677   6.791
  175   2HG   LYS  21          1HG       LYS  21  -2.633  -8.249   6.078
  176   1HD   LYS  21          2HD       LYS  21  -2.469  -9.886   4.413
  177   2HD   LYS  21          1HD       LYS  21  -0.713  -9.988   4.550
  178   1HE   LYS  21          2HE       LYS  21  -2.421 -10.739   6.904
  179   2HE   LYS  21          1HE       LYS  21  -2.208 -11.889   5.584
  180   1HZ   LYS  21          3HZ       LYS  21   0.124 -10.539   6.776
  181   2HZ   LYS  21          2HZ       LYS  21  -0.548 -11.906   7.528
  182   3HZ   LYS  21          1HZ       LYS  21   0.055 -12.015   5.943
  183    H    LYS  22           H        LYS  22   0.081  -5.024   6.896
  184    HA   LYS  22           HA       LYS  22  -1.106  -5.965   9.389
  185   1HB   LYS  22          2HB       LYS  22   1.236  -5.736   9.495
  186   2HB   LYS  22          1HB       LYS  22   1.215  -4.184   8.658
  187   1HG   LYS  22          2HG       LYS  22   0.079  -3.169  10.628
  188   2HG   LYS  22          1HG       LYS  22   0.206  -4.715  11.469
  189   1HD   LYS  22          2HD       LYS  22   2.709  -3.605  10.292
  190   2HD   LYS  22          1HD       LYS  22   2.070  -2.798  11.725
  191   1HE   LYS  22          2HE       LYS  22   2.074  -5.746  11.877
  192   2HE   LYS  22          1HE       LYS  22   3.676  -5.013  11.802
  193   1HZ   LYS  22          3HZ       LYS  22   1.876  -3.640  13.568
  194   2HZ   LYS  22          2HZ       LYS  22   2.159  -5.251  14.032
  195   3HZ   LYS  22          1HZ       LYS  22   3.461  -4.177  13.841
  196    H    GLU  23           H        GLU  23  -0.805  -2.790   7.759
  197    HA   GLU  23           HA       GLU  23  -2.407  -1.452   9.785
  198   1HB   GLU  23          2HB       GLU  23  -1.768  -0.494   6.988
  199   2HB   GLU  23          1HB       GLU  23  -2.239   0.498   8.369
  200   1HG   GLU  23          2HG       GLU  23   0.194  -1.259   8.555
  201   2HG   GLU  23          1HG       GLU  23   0.300   0.304   7.744
  202    H    LEU  24           H        LEU  24  -2.979  -2.018   6.360
  203    HA   LEU  24           HA       LEU  24  -5.729  -1.421   6.312
  204   1HB   LEU  24          2HB       LEU  24  -4.428  -3.604   4.659
  205   2HB   LEU  24          1HB       LEU  24  -5.825  -2.622   4.229
  206    HG   LEU  24           HG       LEU  24  -3.173  -1.312   4.795
  207   1HD1  LEU  24          3HD1      LEU  24  -4.085  -2.588   2.209
  208   2HD1  LEU  24          2HD1      LEU  24  -2.774  -1.412   2.314
  209   3HD1  LEU  24          1HD1      LEU  24  -2.630  -2.967   3.131
  210   1HD2  LEU  24          3HD2      LEU  24  -5.630  -0.282   4.373
  211   2HD2  LEU  24          2HD2      LEU  24  -4.152   0.536   3.873
  212   3HD2  LEU  24          1HD2      LEU  24  -5.076  -0.407   2.703
  213    H    ALA  25           H        ALA  25  -4.004  -4.220   7.470
  214    HA   ALA  25           HA       ALA  25  -4.782  -6.037   8.742
  215   1HB   ALA  25          3HB       ALA  25  -6.624  -3.975   9.195
  216   2HB   ALA  25          2HB       ALA  25  -7.612  -5.373   8.765
  217   3HB   ALA  25          1HB       ALA  25  -6.482  -5.473  10.116
  218    H    LEU  26           H        LEU  26  -4.447  -6.520   6.123
  219    HA   LEU  26           HA       LEU  26  -6.901  -7.516   4.877
  220   1HB   LEU  26          2HB       LEU  26  -4.066  -8.096   3.983
  221   2HB   LEU  26          1HB       LEU  26  -5.530  -8.023   2.999
  222    HG   LEU  26           HG       LEU  26  -4.426  -5.639   4.504
  223   1HD1  LEU  26          2HD1      LEU  26  -3.729  -6.793   1.882
  224   2HD1  LEU  26          1HD1      LEU  26  -4.112  -5.075   1.850
  225   3HD1  LEU  26          3HD1      LEU  26  -2.820  -5.672   2.892
  226   1HD2  LEU  26          1HD2      LEU  26  -6.944  -6.114   3.481
  227   2HD2  LEU  26          3HD2      LEU  26  -6.239  -4.515   3.730
  228   3HD2  LEU  26          2HD2      LEU  26  -6.145  -5.285   2.145
  229    HA   PRO  27           HA       PRO  27  -6.753 -11.635   6.344
  230   1HB   PRO  27          2HB       PRO  27  -7.586 -13.028   4.131
  231   2HB   PRO  27          1HB       PRO  27  -8.663 -12.021   5.119
  232   1HG   PRO  27          2HG       PRO  27  -7.508 -11.458   2.428
  233   2HG   PRO  27          1HG       PRO  27  -9.015 -10.866   3.145
  234   1HD   PRO  27          2HD       PRO  27  -6.600  -9.427   2.918
  235   2HD   PRO  27          1HD       PRO  27  -7.988  -8.972   3.929
  236    H    GLU  28           H        GLU  28  -6.200 -14.016   5.103
  237    HA   GLU  28           HA       GLU  28  -3.287 -13.932   4.898
  238   1HB   GLU  28          2HB       GLU  28  -4.276 -15.797   6.070
  239   2HB   GLU  28          1HB       GLU  28  -5.298 -16.188   4.684
  240   1HG   GLU  28          2HG       GLU  28  -3.638 -17.320   3.645
  241   2HG   GLU  28          1HG       GLU  28  -2.453 -16.061   3.997
  242    H    TYR  29           H        TYR  29  -5.906 -15.050   2.700
  243    HA   TYR  29           HA       TYR  29  -4.206 -15.542   0.485
  244   1HB   TYR  29          2HB       TYR  29  -6.139 -15.742  -0.815
  245   2HB   TYR  29          1HB       TYR  29  -6.747 -16.077   0.807
  246    HD1  TYR  29           HD1      TYR  29  -7.811 -14.186   2.124
  247    HD2  TYR  29           HD2      TYR  29  -6.939 -13.872  -2.070
  248    HE1  TYR  29           HE1      TYR  29  -9.429 -12.313   1.925
  249    HE2  TYR  29           HE2      TYR  29  -8.548 -11.999  -2.266
  250    HH   TYR  29           HH       TYR  29  -9.493 -10.190  -0.460
  251    H    TYR  30           H        TYR  30  -5.138 -12.616   1.933
  252    HA   TYR  30           HA       TYR  30  -5.382 -10.613   0.169
  253   1HB   TYR  30          2HB       TYR  30  -4.879  -9.931   2.374
  254   2HB   TYR  30          1HB       TYR  30  -3.358 -10.824   2.397
  255    HD1  TYR  30           HD1      TYR  30  -4.605  -8.711  -0.387
  256    HD2  TYR  30           HD2      TYR  30  -1.826  -9.040   2.873
  257    HE1  TYR  30           HE1      TYR  30  -3.407  -6.699  -1.202
  258    HE2  TYR  30           HE2      TYR  30  -0.626  -7.031   2.052
  259    HH   TYR  30           HH       TYR  30  -1.098  -5.736  -1.020
  260    H    GLY  31           H        GLY  31  -4.675 -10.621  -1.915
  261   1HA   GLY  31          2HA       GLY  31  -2.082 -11.682  -2.684
  262   2HA   GLY  31          1HA       GLY  31  -3.186 -10.788  -3.740
  263    H    GLU  32           H        GLU  32  -0.182 -10.605  -2.776
  264    HA   GLU  32           HA       GLU  32  -0.126  -7.841  -1.789
  265   1HB   GLU  32          2HB       GLU  32   2.209  -8.169  -1.521
  266   2HB   GLU  32          1HB       GLU  32   1.481  -9.728  -1.128
  267   1HG   GLU  32          2HG       GLU  32   2.791 -10.667  -2.697
  268   2HG   GLU  32          1HG       GLU  32   1.886  -9.769  -3.915
  269    H    ASN  33           H        ASN  33  -1.433  -7.750  -4.143
  270    HA   ASN  33           HA       ASN  33   0.548  -6.432  -5.914
  271   1HB   ASN  33          2HB       ASN  33  -0.997  -7.442  -7.828
  272   2HB   ASN  33          1HB       ASN  33   0.342  -8.378  -7.165
  273   1HD2  ASN  33          2HD2      ASN  33  -2.104 -10.911  -6.663
  274   2HD2  ASN  33          1HD2      ASN  33  -0.772 -10.424  -7.596
  275    H    LEU  34           H        LEU  34  -1.201  -5.636  -7.905
  276    HA   LEU  34           HA       LEU  34  -2.671  -3.525  -6.511
  277   1HB   LEU  34          2HB       LEU  34  -3.195  -3.820  -9.388
  278   2HB   LEU  34          1HB       LEU  34  -2.610  -2.421  -8.492
  279    HG   LEU  34           HG       LEU  34  -0.422  -3.993  -8.330
  280   1HD1  LEU  34          1HD1      LEU  34  -2.062  -5.375 -10.142
  281   2HD1  LEU  34          3HD1      LEU  34  -0.877  -4.540 -11.146
  282   3HD1  LEU  34          2HD1      LEU  34  -0.339  -5.636  -9.873
  283   1HD2  LEU  34          1HD2      LEU  34  -1.327  -2.098 -10.490
  284   2HD2  LEU  34          3HD2      LEU  34  -0.281  -1.762  -9.111
  285   3HD2  LEU  34          2HD2      LEU  34   0.313  -2.747 -10.449
  286    H    ASP  35           H        ASP  35  -3.405  -6.552  -8.065
  287    HA   ASP  35           HA       ASP  35  -6.223  -6.070  -8.401
  288   1HB   ASP  35          2HB       ASP  35  -6.218  -8.670  -8.363
  289   2HB   ASP  35          1HB       ASP  35  -5.464  -7.834  -9.714
  290    H    ALA  36           H        ALA  36  -4.404  -7.933  -5.920
  291    HA   ALA  36           HA       ALA  36  -6.802  -8.399  -4.365
  292   1HB   ALA  36          3HB       ALA  36  -4.042  -9.213  -4.257
  293   2HB   ALA  36          2HB       ALA  36  -4.563  -8.663  -2.665
  294   3HB   ALA  36          1HB       ALA  36  -5.443  -9.960  -3.480
  295    H    LEU  37           H        LEU  37  -4.135  -6.124  -4.138
  296    HA   LEU  37           HA       LEU  37  -4.957  -4.867  -1.692
  297   1HB   LEU  37          2HB       LEU  37  -2.726  -4.521  -2.730
  298   2HB   LEU  37          1HB       LEU  37  -3.504  -3.636  -4.043
  299    HG   LEU  37           HG       LEU  37  -4.525  -2.485  -1.700
  300   1HD1  LEU  37          1HD1      LEU  37  -1.562  -3.070  -1.504
  301   2HD1  LEU  37          3HD1      LEU  37  -2.342  -1.771  -0.604
  302   3HD1  LEU  37          2HD1      LEU  37  -2.814  -3.447  -0.321
  303   1HD2  LEU  37          1HD2      LEU  37  -2.595  -1.731  -3.858
  304   2HD2  LEU  37          3HD2      LEU  37  -4.164  -1.035  -3.460
  305   3HD2  LEU  37          2HD2      LEU  37  -2.755  -0.649  -2.471
  306    H    TRP  38           H        TRP  38  -5.447  -3.906  -5.078
  307    HA   TRP  38           HA       TRP  38  -7.213  -1.735  -4.620
  308   1HB   TRP  38          2HB       TRP  38  -6.217  -2.241  -6.820
  309   2HB   TRP  38          1HB       TRP  38  -7.098  -3.756  -6.869
  310    HD1  TRP  38           HD1      TRP  38  -9.016  -3.693  -8.367
  311    HE1  TRP  38           HE1      TRP  38 -10.767  -1.975  -9.152
  312    HE3  TRP  38           HE3      TRP  38  -7.498   0.416  -5.719
  313    HZ2  TRP  38           HZ2      TRP  38 -11.420   0.768  -8.736
  314    HZ3  TRP  38           HZ3      TRP  38  -8.682   2.563  -5.963
  315    HH2  TRP  38           HH2      TRP  38 -10.649   2.747  -7.457
  316    H    ASP  39           H        ASP  39  -7.740  -5.180  -4.924
  317    HA   ASP  39           HA       ASP  39 -10.594  -5.132  -4.776
  318   1HB   ASP  39          2HB       ASP  39  -8.474  -7.140  -4.565
  319   2HB   ASP  39          1HB       ASP  39  -9.854  -7.487  -3.518
  320    H    ALA  40           H        ALA  40  -8.086  -4.903  -2.377
  321    HA   ALA  40           HA       ALA  40  -9.943  -5.249  -0.123
  322   1HB   ALA  40          1HB       ALA  40  -7.393  -5.777  -0.135
  323   2HB   ALA  40          3HB       ALA  40  -7.191  -4.042   0.114
  324   3HB   ALA  40          2HB       ALA  40  -8.084  -5.003   1.294
  325    H    LEU  41           H        LEU  41  -7.744  -2.546  -0.875
  326    HA   LEU  41           HA       LEU  41  -8.870  -0.518   0.555
  327   1HB   LEU  41          2HB       LEU  41  -7.748  -0.496  -2.234
  328   2HB   LEU  41          1HB       LEU  41  -8.320   0.992  -1.481
  329    HG   LEU  41           HG       LEU  41  -6.452  -0.781   0.048
  330   1HD1  LEU  41          3HD1      LEU  41  -5.606   1.219  -2.080
  331   2HD1  LEU  41          2HD1      LEU  41  -4.519   0.416  -0.940
  332   3HD1  LEU  41          1HD1      LEU  41  -5.377  -0.529  -2.160
  333   1HD2  LEU  41          3HD2      LEU  41  -7.708   1.523   0.679
  334   2HD2  LEU  41          2HD2      LEU  41  -6.140   1.068   1.343
  335   3HD2  LEU  41          1HD2      LEU  41  -6.229   2.176  -0.027
  336    H    THR  42           H        THR  42  -9.926  -1.418  -2.679
  337    HA   THR  42           HA       THR  42 -12.357   0.209  -2.414
  338    HB   THR  42           HB       THR  42 -12.693  -0.184  -4.687
  339    HG1  THR  42           HG1      THR  42 -11.579  -2.100  -5.637
  340   1HG2  THR  42          2HG2      THR  42 -10.447   0.855  -4.215
  341   2HG2  THR  42          1HG2      THR  42  -9.731  -0.745  -4.408
  342   3HG2  THR  42          3HG2      THR  42 -10.548   0.026  -5.768
  343    H    GLY  43           H        GLY  43 -12.378  -1.689  -0.386
  344   1HA   GLY  43          2HA       GLY  43 -14.797  -2.794  -0.226
  345   2HA   GLY  43          1HA       GLY  43 -14.064  -3.923  -1.368
  346    H    TRP  44           H        TRP  44 -12.382  -2.396   1.392
  347    HA   TRP  44           HA       TRP  44 -12.678  -4.719   3.102
  348   1HB   TRP  44          2HB       TRP  44 -11.138  -5.762   1.530
  349   2HB   TRP  44          1HB       TRP  44 -10.050  -4.375   1.630
  350    HD1  TRP  44           HD1      TRP  44  -9.071  -3.854   4.184
  351    HE1  TRP  44           HE1      TRP  44  -8.330  -5.535   5.991
  352    HE3  TRP  44           HE3      TRP  44 -11.404  -8.061   2.483
  353    HZ2  TRP  44           HZ2      TRP  44  -8.686  -8.306   6.633
  354    HZ3  TRP  44           HZ3      TRP  44 -11.190 -10.206   3.707
  355    HH2  TRP  44           HH2      TRP  44  -9.832 -10.332   5.778
  356    H    VAL  45           H        VAL  45 -10.431  -2.127   2.232
  357    HA   VAL  45           HA       VAL  45  -9.608  -1.589   4.937
  358    HB   VAL  45           HB       VAL  45  -9.331  -0.324   2.258
  359   1HG1  VAL  45          3HG1      VAL  45  -8.823   1.143   4.846
  360   2HG1  VAL  45          2HG1      VAL  45  -8.174   1.634   3.282
  361   3HG1  VAL  45          1HG1      VAL  45  -9.918   1.615   3.547
  362   1HG2  VAL  45          1HG2      VAL  45  -7.407  -1.018   4.490
  363   2HG2  VAL  45          3HG2      VAL  45  -7.709  -1.979   3.040
  364   3HG2  VAL  45          2HG2      VAL  45  -6.940  -0.396   2.907
  365    H    GLU  46           H        GLU  46 -10.100   0.526   6.047
  366    HA   GLU  46           HA       GLU  46 -12.936   1.333   5.545
  367   1HB   GLU  46          2HB       GLU  46 -11.443   1.385   8.186
  368   2HB   GLU  46          1HB       GLU  46 -13.150   1.749   7.936
  369   1HG   GLU  46          2HG       GLU  46 -13.728  -0.447   7.824
  370   2HG   GLU  46          1HG       GLU  46 -12.300  -0.870   6.878
  371    H    TYR  47           H        TYR  47 -12.904   3.275   4.574
  372    HA   TYR  47           HA       TYR  47 -10.723   5.182   5.080
  373   1HB   TYR  47          2HB       TYR  47 -13.189   5.448   3.332
  374   2HB   TYR  47          1HB       TYR  47 -11.740   6.456   3.261
  375    HD1  TYR  47           HD2      TYR  47  -9.544   4.549   3.523
  376    HD2  TYR  47           HD1      TYR  47 -13.239   4.178   1.358
  377    HE1  TYR  47           HE2      TYR  47  -8.476   2.921   1.980
  378    HE2  TYR  47           HE1      TYR  47 -12.168   2.553  -0.182
  379    HH   TYR  47           HH       TYR  47  -9.945   1.948  -0.946
  380    HA   PRO  48           HA       PRO  48 -10.975   7.606   4.390
  381   1HB   PRO  48          2HB       PRO  48  -9.880   9.529   6.024
  382   2HB   PRO  48          1HB       PRO  48 -11.341   9.769   5.045
  383   1HG   PRO  48          2HG       PRO  48 -11.104   9.293   7.989
  384   2HG   PRO  48          1HG       PRO  48 -12.333  10.203   7.093
  385   1HD   PRO  48          2HD       PRO  48 -12.685   7.617   8.108
  386   2HD   PRO  48          1HD       PRO  48 -13.669   8.350   6.820
  387    H    LEU  49           H        LEU  49  -8.923   6.902   4.073
  388    HA   LEU  49           HA       LEU  49  -7.507   5.676   6.400
  389   1HB   LEU  49          2HB       LEU  49  -7.876   3.946   4.881
  390   2HB   LEU  49          1HB       LEU  49  -7.746   5.012   3.483
  391    HG   LEU  49           HG       LEU  49  -5.259   5.232   4.057
  392   1HD1  LEU  49          3HD1      LEU  49  -6.092   3.803   6.336
  393   2HD1  LEU  49          2HD1      LEU  49  -5.194   2.638   5.363
  394   3HD1  LEU  49          1HD1      LEU  49  -4.430   4.147   5.860
  395   1HD2  LEU  49          1HD2      LEU  49  -6.751   3.132   2.768
  396   2HD2  LEU  49          3HD2      LEU  49  -5.195   3.831   2.311
  397   3HD2  LEU  49          2HD2      LEU  49  -5.260   2.485   3.451
  398    H    VAL  50           H        VAL  50  -5.102   5.841   6.306
  399    HA   VAL  50           HA       VAL  50  -4.194   8.317   4.907
  400    HB   VAL  50           HB       VAL  50  -4.087   7.565   7.766
  401   1HG1  VAL  50          3HG1      VAL  50  -1.608   8.313   6.263
  402   2HG1  VAL  50          2HG1      VAL  50  -1.870   9.039   7.848
  403   3HG1  VAL  50          1HG1      VAL  50  -1.790   7.286   7.686
  404   1HG2  VAL  50          1HG2      VAL  50  -5.140   9.610   6.543
  405   2HG2  VAL  50          3HG2      VAL  50  -4.295   9.882   8.067
  406   3HG2  VAL  50          2HG2      VAL  50  -3.495  10.245   6.537
  407    H    LEU  51           H        LEU  51  -3.055   7.348   3.226
  408    HA   LEU  51           HA       LEU  51  -1.321   5.026   3.776
  409   1HB   LEU  51          2HB       LEU  51  -2.621   5.266   1.625
  410   2HB   LEU  51          1HB       LEU  51  -1.579   6.637   1.227
  411    HG   LEU  51           HG       LEU  51   0.390   4.994   1.624
  412   1HD1  LEU  51          3HD1      LEU  51  -1.986   3.182   1.541
  413   2HD1  LEU  51          2HD1      LEU  51  -0.441   2.636   0.872
  414   3HD1  LEU  51          1HD1      LEU  51  -0.559   3.092   2.579
  415   1HD2  LEU  51          2HD2      LEU  51  -1.510   4.657  -0.694
  416   2HD2  LEU  51          1HD2      LEU  51  -0.196   5.833  -0.581
  417   3HD2  LEU  51          3HD2      LEU  51   0.163   4.109  -0.682
  418    H    GLU  52           H        GLU  52  -0.152   6.599   5.381
  419    HA   GLU  52           HA       GLU  52   1.546   8.650   4.298
  420   1HB   GLU  52          2HB       GLU  52   1.149   8.644   6.672
  421   2HB   GLU  52          1HB       GLU  52   1.725   6.984   6.823
  422   1HG   GLU  52          2HG       GLU  52   3.484   8.492   7.567
  423   2HG   GLU  52          1HG       GLU  52   3.979   7.750   6.044
  424    H    TRP  53           H        TRP  53   2.494   7.652   2.391
  425    HA   TRP  53           HA       TRP  53   4.077   5.236   2.740
  426   1HB   TRP  53          2HB       TRP  53   2.874   6.062   0.574
  427   2HB   TRP  53          1HB       TRP  53   4.340   7.023   0.345
  428    HD1  TRP  53           HD1      TRP  53   6.677   5.345   0.937
  429    HE1  TRP  53           HE1      TRP  53   7.166   3.064  -0.153
  430    HE3  TRP  53           HE3      TRP  53   1.999   4.119  -0.596
  431    HZ2  TRP  53           HZ2      TRP  53   5.727   0.987  -1.505
  432    HZ3  TRP  53           HZ3      TRP  53   1.556   1.991  -1.765
  433    HH2  TRP  53           HH2      TRP  53   3.424   0.407  -2.218
  434    H    ARG  54           H        ARG  54   5.821   5.592   4.091
  435    HA   ARG  54           HA       ARG  54   7.343   8.037   4.128
  436   1HB   ARG  54          2HB       ARG  54   8.501   5.380   4.955
  437   2HB   ARG  54          1HB       ARG  54   8.774   6.971   5.660
  438   1HG   ARG  54          2HG       ARG  54   5.968   6.387   5.787
  439   2HG   ARG  54          1HG       ARG  54   6.862   5.026   6.464
  440   1HD   ARG  54          2HD       ARG  54   6.447   6.623   8.243
  441   2HD   ARG  54          1HD       ARG  54   8.167   6.655   7.858
  442    HE   ARG  54           HE       ARG  54   6.398   8.664   6.564
  443   1HH1  ARG  54          1HH2      ARG  54   9.467   8.637   6.609
  444   2HH1  ARG  54          2HH2      ARG  54   9.784   9.880   7.772
  445   1HH2  ARG  54          2HH1      ARG  54   6.546   9.918   9.009
  446   2HH2  ARG  54          1HH1      ARG  54   8.131  10.605   9.130
  447    H    GLN  55           H        GLN  55   9.984   6.421   3.991
  448    HA   GLN  55           HA       GLN  55  10.972   7.260   1.560
  449   1HB   GLN  55          2HB       GLN  55  11.633   4.996   3.370
  450   2HB   GLN  55          1HB       GLN  55  12.308   4.919   1.742
  451   1HG   GLN  55          2HG       GLN  55  13.787   6.569   2.178
  452   2HG   GLN  55          1HG       GLN  55  12.538   7.591   2.891
  453   1HE2  GLN  55          1HE2      GLN  55  11.744   6.512   5.171
  454   2HE2  GLN  55          2HE2      GLN  55  13.024   6.097   6.205
  455    H    PHE  56           H        PHE  56   9.523   7.082  -0.179
  456    HA   PHE  56           HA       PHE  56   8.419   4.445  -0.894
  457   1HB   PHE  56          2HB       PHE  56   6.999   6.393  -1.234
  458   2HB   PHE  56          1HB       PHE  56   8.234   7.160  -2.234
  459    HD1  PHE  56           HD1      PHE  56   8.793   6.242  -4.474
  460    HD2  PHE  56           HD2      PHE  56   5.614   4.616  -2.093
  461    HE1  PHE  56           HE1      PHE  56   7.905   5.067  -6.462
  462    HE2  PHE  56           HE2      PHE  56   4.724   3.440  -4.079
  463    HZ   PHE  56           HZ       PHE  56   5.868   3.663  -6.269
  464    H    GLU  57           H        GLU  57  10.595   6.850  -2.370
  465    HA   GLU  57           HA       GLU  57  11.325   5.744  -4.733
  466   1HB   GLU  57          2HB       GLU  57  13.849   6.237  -3.614
  467   2HB   GLU  57          1HB       GLU  57  12.870   7.357  -4.556
  468   1HG   GLU  57          2HG       GLU  57  11.972   8.375  -2.654
  469   2HG   GLU  57          1HG       GLU  57  12.372   7.009  -1.617
  470    H    GLN  58           H        GLN  58  12.557   4.555  -1.597
  471    HA   GLN  58           HA       GLN  58  14.003   2.376  -2.906
  472   1HB   GLN  58          2HB       GLN  58  14.726   1.749  -0.740
  473   2HB   GLN  58          1HB       GLN  58  14.638   3.510  -0.689
  474   1HG   GLN  58          2HG       GLN  58  13.251   3.331   1.076
  475   2HG   GLN  58          1HG       GLN  58  12.061   2.591   0.005
  476   1HE2  GLN  58          2HE2      GLN  58  12.286  -0.370   1.898
  477   2HE2  GLN  58          1HE2      GLN  58  11.291   0.821   1.210
  478    H    SER  59           H        SER  59  13.528   0.104  -2.492
  479    HA   SER  59           HA       SER  59  12.099  -1.751  -2.129
  480   1HB   SER  59          2HB       SER  59  11.034  -0.212  -0.329
  481   2HB   SER  59          1HB       SER  59   9.817   0.137  -1.560
  482    HG   SER  59           HG       SER  59   9.143  -1.906  -1.488
  483    H    LYS  60           H        LYS  60  11.369   0.981  -4.119
  484    HA   LYS  60           HA       LYS  60   9.317  -0.383  -5.696
  485   1HB   LYS  60          2HB       LYS  60   9.267   2.045  -5.506
  486   2HB   LYS  60          1HB       LYS  60  10.903   2.154  -6.172
  487   1HG   LYS  60          2HG       LYS  60   9.318   0.592  -7.968
  488   2HG   LYS  60          1HG       LYS  60   8.423   2.065  -7.594
  489   1HD   LYS  60          2HD       LYS  60   9.881   3.370  -8.735
  490   2HD   LYS  60          1HD       LYS  60  11.282   2.543  -8.050
  491   1HE   LYS  60          2HE       LYS  60  11.036   2.273 -10.550
  492   2HE   LYS  60          1HE       LYS  60  11.102   0.753  -9.658
  493   1HZ   LYS  60          3HZ       LYS  60   8.487   1.983 -10.141
  494   2HZ   LYS  60          2HZ       LYS  60   9.254   1.189 -11.432
  495   3HZ   LYS  60          1HZ       LYS  60   8.900   0.345 -10.001
  496    H    GLN  61           H        GLN  61  12.733   0.536  -6.152
  497    HA   GLN  61           HA       GLN  61  12.899  -0.873  -8.717
  498   1HB   GLN  61          2HB       GLN  61  14.267   1.178  -8.062
  499   2HB   GLN  61          1HB       GLN  61  15.175   0.110  -6.989
  500   1HG   GLN  61          2HG       GLN  61  15.044  -1.222  -9.477
  501   2HG   GLN  61          1HG       GLN  61  15.444   0.457  -9.846
  502   1HE2  GLN  61          2HE2      GLN  61  18.632   0.328  -8.235
  503   2HE2  GLN  61          1HE2      GLN  61  17.407   1.369  -8.780
  504    H    LEU  62           H        LEU  62  13.111  -1.652  -5.447
  505    HA   LEU  62           HA       LEU  62  14.988  -3.842  -5.602
  506   1HB   LEU  62          2HB       LEU  62  12.863  -3.071  -3.581
  507   2HB   LEU  62          1HB       LEU  62  13.951  -4.445  -3.363
  508    HG   LEU  62           HG       LEU  62  15.895  -2.988  -3.403
  509   1HD1  LEU  62          2HD1      LEU  62  13.886  -0.806  -4.055
  510   2HD1  LEU  62          1HD1      LEU  62  15.532  -0.479  -3.515
  511   3HD1  LEU  62          3HD1      LEU  62  15.259  -1.327  -5.035
  512   1HD2  LEU  62          1HD2      LEU  62  14.349  -3.182  -1.322
  513   2HD2  LEU  62          3HD2      LEU  62  15.575  -1.914  -1.332
  514   3HD2  LEU  62          2HD2      LEU  62  13.896  -1.520  -1.698
  515    H    THR  63           H        THR  63  11.934  -3.437  -6.857
  516    HA   THR  63           HA       THR  63  11.525  -6.392  -6.983
  517    HB   THR  63           HB       THR  63   9.742  -5.922  -5.586
  518    HG1  THR  63           HG1      THR  63   8.460  -6.553  -7.124
  519   1HG2  THR  63          1HG2      THR  63  10.073  -3.164  -6.655
  520   2HG2  THR  63          3HG2      THR  63   8.488  -3.604  -6.017
  521   3HG2  THR  63          2HG2      THR  63   9.915  -3.713  -4.986
  522    H    GLU  64           H        GLU  64   9.424  -3.933  -8.313
  523    HA   GLU  64           HA       GLU  64  10.565  -3.579 -10.872
  524   1HB   GLU  64          2HB       GLU  64   9.061  -5.147 -12.177
  525   2HB   GLU  64          1HB       GLU  64  10.323  -5.961 -11.249
  526   1HG   GLU  64          2HG       GLU  64   8.322  -5.843  -9.398
  527   2HG   GLU  64          1HG       GLU  64   7.390  -6.011 -10.886
  528    H    ASN  65           H        ASN  65   7.693  -4.004  -8.909
  529    HA   ASN  65           HA       ASN  65   6.652  -1.425  -9.466
  530   1HB   ASN  65          2HB       ASN  65   4.923  -1.819 -11.040
  531   2HB   ASN  65          1HB       ASN  65   6.330  -2.637 -11.716
  532   1HD2  ASN  65          2HD2      ASN  65   4.900  -5.860 -11.485
  533   2HD2  ASN  65          1HD2      ASN  65   6.258  -4.936 -11.912
  534    H    GLY  66           H        GLY  66   7.038  -3.382  -7.305
  535   1HA   GLY  66          2HA       GLY  66   4.360  -4.245  -6.491
  536   2HA   GLY  66          1HA       GLY  66   5.836  -4.387  -5.529
  537    H    ALA  67           H        ALA  67   6.750  -1.868  -5.255
  538    HA   ALA  67           HA       ALA  67   4.875  -0.688  -3.397
  539   1HB   ALA  67          1HB       ALA  67   7.486   0.278  -4.582
  540   2HB   ALA  67          3HB       ALA  67   6.556   1.237  -3.430
  541   3HB   ALA  67          2HB       ALA  67   7.198  -0.334  -2.954
  542    H    GLU  68           H        GLU  68   6.012   0.280  -6.648
  543    HA   GLU  68           HA       GLU  68   4.403   2.618  -6.812
  544   1HB   GLU  68          2HB       GLU  68   6.291   2.148  -8.348
  545   2HB   GLU  68          1HB       GLU  68   5.364   0.825  -9.058
  546   1HG   GLU  68          2HG       GLU  68   3.537   2.562  -9.529
  547   2HG   GLU  68          1HG       GLU  68   4.752   3.783  -9.151
  548    H    SER  69           H        SER  69   3.616  -0.726  -6.995
  549    HA   SER  69           HA       SER  69   1.150  -0.290  -8.531
  550   1HB   SER  69          2HB       SER  69   2.522  -2.657  -7.308
  551   2HB   SER  69          1HB       SER  69   0.804  -2.771  -7.673
  552    HG   SER  69           HG       SER  69   2.507  -1.692  -9.608
  553    H    VAL  70           H        VAL  70   1.836  -1.418  -5.174
  554    HA   VAL  70           HA       VAL  70  -0.809  -1.353  -4.265
  555    HB   VAL  70           HB       VAL  70   1.685  -0.482  -2.755
  556   1HG1  VAL  70          3HG1      VAL  70  -1.024  -0.172  -2.068
  557   2HG1  VAL  70          2HG1      VAL  70  -0.473  -1.575  -1.157
  558   3HG1  VAL  70          1HG1      VAL  70   0.364  -0.032  -0.990
  559   1HG2  VAL  70          1HG2      VAL  70   0.424  -3.115  -3.381
  560   2HG2  VAL  70          3HG2      VAL  70   2.120  -2.723  -3.094
  561   3HG2  VAL  70          2HG2      VAL  70   1.014  -2.899  -1.732
  562    H    LEU  71           H        LEU  71   1.455   1.129  -5.052
  563    HA   LEU  71           HA       LEU  71  -0.098   3.196  -3.776
  564   1HB   LEU  71          2HB       LEU  71   2.424   3.251  -4.153
  565   2HB   LEU  71          1HB       LEU  71   2.057   3.617  -5.839
  566    HG   LEU  71           HG       LEU  71   0.970   5.644  -5.273
  567   1HD1  LEU  71          3HD1      LEU  71   0.806   4.398  -2.566
  568   2HD1  LEU  71          2HD1      LEU  71   0.864   6.162  -2.665
  569   3HD1  LEU  71          1HD1      LEU  71  -0.434   5.271  -3.477
  570   1HD2  LEU  71          1HD2      LEU  71   3.610   5.179  -4.604
  571   2HD2  LEU  71          3HD2      LEU  71   2.857   6.766  -4.738
  572   3HD2  LEU  71          2HD2      LEU  71   2.971   5.976  -3.166
  573    H    GLN  72           H        GLN  72   0.393   2.087  -7.144
  574    HA   GLN  72           HA       GLN  72  -1.189   4.117  -8.351
  575   1HB   GLN  72          2HB       GLN  72  -0.418   1.329  -9.068
  576   2HB   GLN  72          1HB       GLN  72  -1.788   2.025  -9.935
  577   1HG   GLN  72          2HG       GLN  72  -0.203   4.102 -10.213
  578   2HG   GLN  72          1HG       GLN  72   1.075   2.930  -9.889
  579   1HE2  GLN  72          2HE2      GLN  72  -1.255   2.119 -13.187
  580   2HE2  GLN  72          1HE2      GLN  72  -2.002   2.661 -11.763
  581    H    VAL  73           H        VAL  73  -2.017   1.327  -6.500
  582    HA   VAL  73           HA       VAL  73  -4.873   1.442  -7.148
  583    HB   VAL  73           HB       VAL  73  -3.335  -0.173  -5.096
  584   1HG1  VAL  73          3HG1      VAL  73  -5.793   0.260  -4.615
  585   2HG1  VAL  73          2HG1      VAL  73  -6.137  -0.601  -6.115
  586   3HG1  VAL  73          1HG1      VAL  73  -5.337  -1.435  -4.787
  587   1HG2  VAL  73          3HG2      VAL  73  -3.442  -0.334  -7.882
  588   2HG2  VAL  73          2HG2      VAL  73  -2.938  -1.626  -6.788
  589   3HG2  VAL  73          1HG2      VAL  73  -4.616  -1.539  -7.342
  590    H    PHE  74           H        PHE  74  -2.885   2.111  -4.246
  591    HA   PHE  74           HA       PHE  74  -4.902   2.902  -2.507
  592   1HB   PHE  74          2HB       PHE  74  -2.018   3.476  -2.859
  593   2HB   PHE  74          1HB       PHE  74  -2.915   4.673  -1.940
  594    HD1  PHE  74           HD2      PHE  74  -4.672   3.590  -0.190
  595    HD2  PHE  74           HD1      PHE  74  -1.107   1.703  -1.672
  596    HE1  PHE  74           HE2      PHE  74  -4.660   2.046   1.736
  597    HE2  PHE  74           HE1      PHE  74  -1.114   0.170   0.278
  598    HZ   PHE  74           HZ       PHE  74  -2.901   0.363   1.968
  599    H    ARG  75           H        ARG  75  -2.964   4.878  -4.707
  600    HA   ARG  75           HA       ARG  75  -4.476   7.279  -4.484
  601   1HB   ARG  75          2HB       ARG  75  -2.646   6.143  -6.591
  602   2HB   ARG  75          1HB       ARG  75  -3.512   7.651  -6.878
  603   1HG   ARG  75          2HG       ARG  75  -2.579   8.297  -4.499
  604   2HG   ARG  75          1HG       ARG  75  -1.386   7.046  -4.849
  605   1HD   ARG  75          2HD       ARG  75  -1.820   9.679  -6.192
  606   2HD   ARG  75          1HD       ARG  75  -0.311   8.861  -5.788
  607    HE   ARG  75           HE       ARG  75  -1.847   8.516  -8.254
  608   1HH1  ARG  75          1HH2      ARG  75   1.131   8.163  -6.846
  609   2HH1  ARG  75          2HH2      ARG  75   1.552   6.683  -7.641
  610   1HH2  ARG  75          2HH1      ARG  75  -1.620   6.173  -8.945
  611   2HH2  ARG  75          1HH1      ARG  75  -0.006   5.557  -8.829
  612    H    GLU  76           H        GLU  76  -4.775   4.478  -6.733
  613    HA   GLU  76           HA       GLU  76  -6.813   5.560  -8.387
  614   1HB   GLU  76          2HB       GLU  76  -6.114   2.784  -7.495
  615   2HB   GLU  76          1HB       GLU  76  -7.617   3.048  -8.378
  616   1HG   GLU  76          2HG       GLU  76  -5.057   4.217  -9.416
  617   2HG   GLU  76          1HG       GLU  76  -5.431   2.520  -9.712
  618    H    ALA  77           H        ALA  77  -6.929   4.393  -5.109
  619    HA   ALA  77           HA       ALA  77  -9.851   4.232  -5.018
  620   1HB   ALA  77          3HB       ALA  77  -7.901   3.069  -3.538
  621   2HB   ALA  77          2HB       ALA  77  -8.266   4.456  -2.514
  622   3HB   ALA  77          1HB       ALA  77  -9.540   3.314  -2.931
  623    H    LYS  78           H        LYS  78  -7.393   6.396  -3.528
  624    HA   LYS  78           HA       LYS  78  -9.287   8.262  -2.512
  625   1HB   LYS  78          2HB       LYS  78  -7.429   9.558  -1.986
  626   2HB   LYS  78          1HB       LYS  78  -6.701   7.963  -2.103
  627   1HG   LYS  78          2HG       LYS  78  -5.248   8.975  -3.530
  628   2HG   LYS  78          1HG       LYS  78  -6.555   8.812  -4.704
  629   1HD   LYS  78          2HD       LYS  78  -5.666  11.135  -4.608
  630   2HD   LYS  78          1HD       LYS  78  -7.369  11.053  -4.158
  631   1HE   LYS  78          2HE       LYS  78  -6.913  11.365  -1.875
  632   2HE   LYS  78          1HE       LYS  78  -5.230  10.869  -2.047
  633   1HZ   LYS  78          1HZ       LYS  78  -6.163  13.228  -3.517
  634   2HZ   LYS  78          3HZ       LYS  78  -5.867  13.378  -1.854
  635   3HZ   LYS  78          2HZ       LYS  78  -4.620  12.881  -2.895
  636    H    ALA  79           H        ALA  79  -8.375   7.517  -5.695
  637    HA   ALA  79           HA       ALA  79  -8.973  10.186  -6.805
  638   1HB   ALA  79          1HB       ALA  79  -7.346   8.119  -7.631
  639   2HB   ALA  79          3HB       ALA  79  -8.777   7.888  -8.641
  640   3HB   ALA  79          2HB       ALA  79  -7.909   9.429  -8.672
  641    H    GLU  80           H        GLU  80 -10.056   6.936  -7.696
  642    HA   GLU  80           HA       GLU  80 -12.409   7.628  -8.995
  643   1HB   GLU  80          2HB       GLU  80 -12.090   5.185  -7.239
  644   2HB   GLU  80          1HB       GLU  80 -13.095   5.358  -8.676
  645   1HG   GLU  80          2HG       GLU  80 -10.372   6.060  -9.307
  646   2HG   GLU  80          1HG       GLU  80 -10.429   4.455  -8.579
  647    H    GLY  81           H        GLY  81 -12.274   6.528  -5.562
  648   1HA   GLY  81          2HA       GLY  81 -14.230   8.582  -4.828
  649   2HA   GLY  81          1HA       GLY  81 -14.906   6.952  -4.843
  650    H    ALA  82           H        ALA  82 -12.424   5.674  -3.935
  651    HA   ALA  82           HA       ALA  82 -12.780   5.427  -1.238
  652   1HB   ALA  82          1HB       ALA  82 -10.796   4.678  -3.026
  653   2HB   ALA  82          3HB       ALA  82  -9.926   5.633  -1.825
  654   3HB   ALA  82          2HB       ALA  82 -10.869   4.229  -1.322
  655    H    ASP  83           H        ASP  83 -11.980   6.449   0.653
  656    HA   ASP  83           HA       ASP  83 -11.212   9.308   0.252
  657   1HB   ASP  83          2HB       ASP  83 -12.775   7.842   2.348
  658   2HB   ASP  83          1HB       ASP  83 -11.864   9.273   2.835
  659    H    ILE  84           H        ILE  84  -9.096   7.829  -0.169
  660    HA   ILE  84           HA       ILE  84  -7.703   7.369   2.413
  661    HB   ILE  84           HB       ILE  84  -7.068   6.563  -0.435
  662   1HG1  ILE  84          2HG1      ILE  84  -7.243   4.599   1.744
  663   2HG1  ILE  84          1HG1      ILE  84  -8.749   5.450   1.408
  664   1HG2  ILE  84          3HG2      ILE  84  -5.015   7.145   0.938
  665   2HG2  ILE  84          2HG2      ILE  84  -5.516   5.896   2.081
  666   3HG2  ILE  84          1HG2      ILE  84  -5.093   5.459   0.424
  667   1HD1  ILE  84          2HD1      ILE  84  -7.228   4.504  -0.956
  668   2HD1  ILE  84          1HD1      ILE  84  -7.973   3.256   0.041
  669   3HD1  ILE  84          3HD1      ILE  84  -8.968   4.524  -0.670
  670    H    THR  85           H        THR  85  -5.533   8.237   2.686
  671    HA   THR  85           HA       THR  85  -5.118  10.780   1.173
  672    HB   THR  85           HB       THR  85  -4.262  10.059   3.997
  673    HG1  THR  85           HG1      THR  85  -6.559  10.601   3.406
  674   1HG2  THR  85          2HG2      THR  85  -3.146  11.903   2.209
  675   2HG2  THR  85          1HG2      THR  85  -4.184  12.866   3.260
  676   3HG2  THR  85          3HG2      THR  85  -2.913  11.860   3.956
  677    H    ILE  86           H        ILE  86  -3.794   9.868  -0.442
  678    HA   ILE  86           HA       ILE  86  -1.580   8.124   0.240
  679    HB   ILE  86           HB       ILE  86  -2.765   9.268  -2.211
  680   1HG1  ILE  86          2HG1      ILE  86  -2.558   7.038  -2.982
  681   2HG1  ILE  86          1HG1      ILE  86  -1.239   6.685  -1.869
  682   1HG2  ILE  86          3HG2      ILE  86   0.203   8.668  -2.041
  683   2HG2  ILE  86          2HG2      ILE  86  -0.697   8.760  -3.555
  684   3HG2  ILE  86          1HG2      ILE  86  -0.546  10.188  -2.531
  685   1HD1  ILE  86          3HD1      ILE  86  -3.592   7.518  -0.394
  686   2HD1  ILE  86          2HD1      ILE  86  -3.983   6.176  -1.464
  687   3HD1  ILE  86          1HD1      ILE  86  -2.690   6.005  -0.278
  688    H    ILE  87           H        ILE  87   0.073   8.926   1.405
  689    HA   ILE  87           HA       ILE  87   0.795  11.762   1.244
  690    HB   ILE  87           HB       ILE  87   2.070   9.431   2.696
  691   1HG1  ILE  87          2HG1      ILE  87  -0.209  10.180   3.442
  692   2HG1  ILE  87          1HG1      ILE  87   1.038  10.417   4.667
  693   1HG2  ILE  87          1HG2      ILE  87   2.839  12.307   2.406
  694   2HG2  ILE  87          3HG2      ILE  87   3.058  11.542   3.980
  695   3HG2  ILE  87          2HG2      ILE  87   3.869  10.883   2.559
  696   1HD1  ILE  87          3HD1      ILE  87   0.929  12.732   2.962
  697   2HD1  ILE  87          2HD1      ILE  87  -0.688  12.377   3.568
  698   3HD1  ILE  87          1HD1      ILE  87   0.642  12.629   4.699
  699    H    LEU  88           H        LEU  88   2.661   8.754   0.635
  700    HA   LEU  88           HA       LEU  88   4.327   8.336  -0.968
  701   1HB   LEU  88          2HB       LEU  88   2.633  10.410  -2.165
  702   2HB   LEU  88          1HB       LEU  88   4.300  10.462  -2.739
  703    HG   LEU  88           HG       LEU  88   2.574   7.971  -2.681
  704   1HD1  LEU  88          1HD1      LEU  88   2.455  10.137  -4.451
  705   2HD1  LEU  88          3HD1      LEU  88   3.437   8.934  -5.288
  706   3HD1  LEU  88          2HD1      LEU  88   1.815   8.518  -4.733
  707   1HD2  LEU  88          2HD2      LEU  88   5.420   8.569  -3.332
  708   2HD2  LEU  88          1HD2      LEU  88   4.705   7.102  -2.665
  709   3HD2  LEU  88          3HD2      LEU  88   4.583   7.436  -4.393
  710    H    SER  89           HN       SER  89   4.521  11.829  -1.400
  711    HA   SER  89           HA       SER  89   6.352  13.263  -1.035
  712   1HB   SER  89          2HB       SER  89   5.379  13.166   1.235
  713   2HB   SER  89          1HB       SER  89   6.354  11.739   1.591
  714    HG   SER  89           HG       SER  89   7.027  14.320   1.745
   
  No H/Q in entry =         714
  Start of MODEL   11
    1   1H    LYS   1          1H        LYS   1  -8.025   4.036   7.577
    2   2H    LYS   1          3H        LYS   1  -9.022   3.260   8.709
    3   3H    LYS   1          2H        LYS   1  -8.865   4.952   8.736
    4    HA   LYS   1           HA       LYS   1  -7.473   4.367  10.446
    5   1HB   LYS   1          2HB       LYS   1  -6.857   1.959   8.726
    6   2HB   LYS   1          1HB       LYS   1  -5.898   2.367  10.148
    7   1HG   LYS   1          2HG       LYS   1  -8.646   2.541  10.887
    8   2HG   LYS   1          1HG       LYS   1  -8.415   1.009  10.042
    9   1HD   LYS   1          2HD       LYS   1  -6.645   0.360  11.539
   10   2HD   LYS   1          1HD       LYS   1  -6.604   1.964  12.273
   11   1HE   LYS   1          2HE       LYS   1  -8.745   1.661  13.289
   12   2HE   LYS   1          1HE       LYS   1  -9.074   0.220  12.327
   13   1HZ   LYS   1          1HZ       LYS   1  -6.665   0.156  13.952
   14   2HZ   LYS   1          3HZ       LYS   1  -8.130   0.134  14.804
   15   3HZ   LYS   1          2HZ       LYS   1  -7.805  -1.066  13.646
   16    H    LYS   2           H        LYS   2  -4.783   3.849  10.242
   17    HA   LYS   2           HA       LYS   2  -3.893   5.713   8.079
   18   1HB   LYS   2          2HB       LYS   2  -3.617   7.048   9.967
   19   2HB   LYS   2          1HB       LYS   2  -3.287   5.672  11.015
   20   1HG   LYS   2          2HG       LYS   2  -1.056   5.482  10.271
   21   2HG   LYS   2          1HG       LYS   2  -1.368   6.428   8.815
   22   1HD   LYS   2          2HD       LYS   2  -1.997   8.300  10.606
   23   2HD   LYS   2          1HD       LYS   2  -0.904   7.355  11.618
   24   1HE   LYS   2          2HE       LYS   2   0.592   7.450   9.393
   25   2HE   LYS   2          1HE       LYS   2  -0.319   8.942   9.163
   26   1HZ   LYS   2          3HZ       LYS   2   0.963   8.325  11.749
   27   2HZ   LYS   2          2HZ       LYS   2   1.845   9.045  10.487
   28   3HZ   LYS   2          1HZ       LYS   2   0.484   9.831  11.134
   29    H    ALA   3           H        ALA   3  -2.808   4.410   6.657
   30    HA   ALA   3           HA       ALA   3  -1.134   2.210   7.739
   31   1HB   ALA   3          3HB       ALA   3  -2.642   2.623   5.308
   32   2HB   ALA   3          2HB       ALA   3  -0.955   2.288   4.917
   33   3HB   ALA   3          1HB       ALA   3  -1.877   1.147   5.896
   34    H    VAL   4           H        VAL   4   1.108   2.248   7.519
   35    HA   VAL   4           HA       VAL   4   2.261   4.696   6.255
   36    HB   VAL   4           HB       VAL   4   3.104   3.381   8.855
   37   1HG1  VAL   4          3HG1      VAL   4   4.609   4.895   6.958
   38   2HG1  VAL   4          2HG1      VAL   4   4.344   5.914   8.373
   39   3HG1  VAL   4          1HG1      VAL   4   5.116   4.339   8.553
   40   1HG2  VAL   4          1HG2      VAL   4   1.031   4.960   8.706
   41   2HG2  VAL   4          3HG2      VAL   4   2.243   5.282   9.945
   42   3HG2  VAL   4          2HG2      VAL   4   2.222   6.237   8.461
   43    H    ILE   5           H        ILE   5   3.778   4.242   4.774
   44    HA   ILE   5           HA       ILE   5   4.746   1.453   4.531
   45    HB   ILE   5           HB       ILE   5   5.275   3.781   2.674
   46   1HG1  ILE   5          2HG1      ILE   5   2.771   3.197   3.309
   47   2HG1  ILE   5          1HG1      ILE   5   3.211   3.490   1.639
   48   1HG2  ILE   5          3HG2      ILE   5   5.816   0.899   2.677
   49   2HG2  ILE   5          2HG2      ILE   5   5.007   1.446   1.208
   50   3HG2  ILE   5          1HG2      ILE   5   6.534   2.179   1.697
   51   1HD1  ILE   5          3HD1      ILE   5   3.569   0.695   2.454
   52   2HD1  ILE   5          2HD1      ILE   5   1.900   1.257   2.558
   53   3HD1  ILE   5          1HD1      ILE   5   2.771   1.361   1.027
   54    H    ASN   6           H        ASN   6   6.569   1.020   5.650
   55    HA   ASN   6           HA       ASN   6   8.570   3.203   5.954
   56   1HB   ASN   6          2HB       ASN   6   8.785   0.656   7.497
   57   2HB   ASN   6          1HB       ASN   6   9.190   2.300   7.991
   58   1HD2  ASN   6          2HD2      ASN   6   6.215   2.395   9.843
   59   2HD2  ASN   6          1HD2      ASN   6   7.898   2.615   9.801
   60    H    GLY   7           H        GLY   7   9.726   2.955   4.027
   61   1HA   GLY   7          2HA       GLY   7  10.466   0.377   2.979
   62   2HA   GLY   7          1HA       GLY   7  11.159   1.926   2.479
   63    H    GLU   8           H        GLU   8  11.520   2.080   5.676
   64    HA   GLU   8           HA       GLU   8  14.322   1.319   5.540
   65   1HB   GLU   8          2HB       GLU   8  13.811   3.270   6.840
   66   2HB   GLU   8          1HB       GLU   8  12.584   2.403   7.766
   67   1HG   GLU   8          2HG       GLU   8  14.119   1.493   9.167
   68   2HG   GLU   8          1HG       GLU   8  15.240   1.141   7.850
   69    H    GLN   9           H        GLN   9  11.425  -0.251   6.324
   70    HA   GLN   9           HA       GLN   9  12.936  -2.406   7.736
   71   1HB   GLN   9          2HB       GLN   9  11.213  -1.289   9.155
   72   2HB   GLN   9          1HB       GLN   9   9.985  -1.763   7.979
   73   1HG   GLN   9          2HG       GLN   9   9.789  -3.692   9.135
   74   2HG   GLN   9          1HG       GLN   9  11.374  -4.127   8.495
   75   1HE2  GLN   9          2HE2      GLN   9  11.913  -4.404  12.088
   76   2HE2  GLN   9          1HE2      GLN   9  11.247  -5.290  10.803
   77    H    ILE  10           H        ILE  10  10.918  -1.551   5.099
   78    HA   ILE  10           HA       ILE  10   9.995  -4.214   4.443
   79    HB   ILE  10           HB       ILE  10  10.317  -1.754   2.699
   80   1HG1  ILE  10          2HG1      ILE  10   8.748  -1.540   4.641
   81   2HG1  ILE  10          1HG1      ILE  10   7.925  -1.449   3.085
   82   1HG2  ILE  10          1HG2      ILE  10   9.249  -4.505   2.209
   83   2HG2  ILE  10          3HG2      ILE  10   8.415  -3.142   1.461
   84   3HG2  ILE  10          2HG2      ILE  10  10.121  -3.430   1.116
   85   1HD1  ILE  10          2HD1      ILE  10   7.857  -4.133   3.534
   86   2HD1  ILE  10          1HD1      ILE  10   7.769  -3.525   5.187
   87   3HD1  ILE  10          3HD1      ILE  10   6.561  -3.031   4.000
   88    H    ARG  11           H        ARG  11  11.619  -5.705   4.240
   89    HA   ARG  11           HA       ARG  11  14.201  -5.151   3.063
   90   1HB   ARG  11          2HB       ARG  11  13.218  -7.939   2.860
   91   2HB   ARG  11          1HB       ARG  11  14.711  -7.324   3.571
   92   1HG   ARG  11          2HG       ARG  11  13.264  -6.442   5.484
   93   2HG   ARG  11          1HG       ARG  11  11.965  -7.432   4.814
   94   1HD   ARG  11          2HD       ARG  11  13.894  -9.291   4.849
   95   2HD   ARG  11          1HD       ARG  11  14.489  -8.277   6.163
   96    HE   ARG  11           HE       ARG  11  11.688  -9.322   6.180
   97   1HH1  ARG  11          1HH2      ARG  11  14.697 -10.185   7.286
   98   2HH1  ARG  11          2HH2      ARG  11  14.294 -10.179   8.969
   99   1HH2  ARG  11          2HH1      ARG  11  11.188  -8.711   8.493
  100   2HH2  ARG  11          1HH1      ARG  11  12.307  -9.345   9.654
  101    H    SER  12           H        SER  12  11.222  -6.640   1.874
  102    HA   SER  12           HA       SER  12  12.046  -5.928  -0.892
  103   1HB   SER  12          2HB       SER  12  11.806  -8.090  -1.756
  104   2HB   SER  12          1HB       SER  12  12.596  -8.401  -0.213
  105    HG   SER  12           HG       SER  12  10.775  -9.741  -0.514
  106    H    ILE  13           H        ILE  13  10.128  -6.191  -2.409
  107    HA   ILE  13           HA       ILE  13   7.904  -4.732  -1.585
  108    HB   ILE  13           HB       ILE  13   8.426  -5.326  -3.950
  109   1HG1  ILE  13          2HG1      ILE  13   6.075  -5.666  -4.656
  110   2HG1  ILE  13          1HG1      ILE  13   5.652  -6.118  -3.005
  111   1HG2  ILE  13          1HG2      ILE  13   8.195  -7.976  -2.857
  112   2HG2  ILE  13          3HG2      ILE  13   7.019  -7.784  -4.157
  113   3HG2  ILE  13          2HG2      ILE  13   8.731  -7.494  -4.466
  114   1HD1  ILE  13          3HD1      ILE  13   6.935  -3.466  -3.687
  115   2HD1  ILE  13          2HD1      ILE  13   5.186  -3.690  -3.631
  116   3HD1  ILE  13          1HD1      ILE  13   6.153  -3.930  -2.176
  117    H    SER  14           H        SER  14   8.625  -8.078  -0.965
  118    HA   SER  14           HA       SER  14   6.019  -9.072  -0.436
  119   1HB   SER  14          2HB       SER  14   8.278 -10.332  -0.492
  120   2HB   SER  14          1HB       SER  14   8.435  -9.849   1.195
  121    HG   SER  14           HG       SER  14   6.418 -10.862   1.577
  122    H    ASP  15           H        ASP  15   8.379  -7.689   1.892
  123    HA   ASP  15           HA       ASP  15   6.590  -7.709   4.109
  124   1HB   ASP  15          2HB       ASP  15   9.217  -6.597   3.445
  125   2HB   ASP  15          1HB       ASP  15   8.309  -5.602   4.574
  126    H    LEU  16           H        LEU  16   6.753  -5.737   1.341
  127    HA   LEU  16           HA       LEU  16   5.605  -3.312   2.410
  128   1HB   LEU  16          2HB       LEU  16   6.776  -3.518   0.194
  129   2HB   LEU  16          1HB       LEU  16   5.388  -4.417  -0.402
  130    HG   LEU  16           HG       LEU  16   4.214  -2.522  -0.770
  131   1HD1  LEU  16          2HD1      LEU  16   5.152  -1.572   1.956
  132   2HD1  LEU  16          1HD1      LEU  16   4.061  -0.656   0.916
  133   3HD1  LEU  16          3HD1      LEU  16   3.566  -2.226   1.550
  134   1HD2  LEU  16          1HD2      LEU  16   6.833  -1.964  -1.098
  135   2HD2  LEU  16          3HD2      LEU  16   5.549  -0.811  -1.460
  136   3HD2  LEU  16          2HD2      LEU  16   6.406  -0.724   0.080
  137    H    HIS  17           H        HIS  17   4.145  -5.822   0.344
  138    HA   HIS  17           HA       HIS  17   1.458  -5.034   0.772
  139   1HB   HIS  17          2HB       HIS  17   2.607  -7.757   0.132
  140   2HB   HIS  17          1HB       HIS  17   0.896  -7.335  -0.007
  141    HD1  HIS  17           HD1      HIS  17   0.211  -5.738  -1.937
  142    HD2  HIS  17           HD2      HIS  17   4.288  -6.599  -1.850
  143    HE1  HIS  17           HE1      HIS  17   1.165  -4.910  -4.133
  144    H    GLN  18           H        GLN  18   3.649  -6.755   2.780
  145    HA   GLN  18           HA       GLN  18   1.576  -7.929   4.475
  146   1HB   GLN  18          2HB       GLN  18   4.568  -7.625   4.843
  147   2HB   GLN  18          1HB       GLN  18   3.517  -8.468   5.982
  148   1HG   GLN  18          2HG       GLN  18   2.729  -9.774   3.833
  149   2HG   GLN  18          1HG       GLN  18   4.281  -9.242   3.185
  150   1HE2  GLN  18          2HE2      GLN  18   4.476 -12.513   5.234
  151   2HE2  GLN  18          1HE2      GLN  18   3.280 -12.004   4.142
  152    H    THR  19           H        THR  19   3.534  -5.082   4.346
  153    HA   THR  19           HA       THR  19   2.915  -4.121   7.001
  154    HB   THR  19           HB       THR  19   4.124  -2.941   4.517
  155    HG1  THR  19           HG1      THR  19   5.462  -3.998   5.951
  156   1HG2  THR  19          2HG2      THR  19   2.657  -1.447   6.574
  157   2HG2  THR  19          1HG2      THR  19   4.321  -0.903   6.368
  158   3HG2  THR  19          3HG2      THR  19   3.224  -0.921   4.988
  159    H    LEU  20           H        LEU  20   1.474  -3.856   3.845
  160    HA   LEU  20           HA       LEU  20  -0.550  -1.915   4.735
  161   1HB   LEU  20          2HB       LEU  20  -1.033  -3.571   2.303
  162   2HB   LEU  20          1HB       LEU  20  -1.304  -1.846   2.556
  163    HG   LEU  20           HG       LEU  20   1.394  -3.151   2.245
  164   1HD1  LEU  20          2HD1      LEU  20  -0.117  -3.063   0.193
  165   2HD1  LEU  20          1HD1      LEU  20   0.004  -1.306   0.318
  166   3HD1  LEU  20          3HD1      LEU  20   1.455  -2.268   0.034
  167   1HD2  LEU  20          3HD2      LEU  20   0.842  -0.848   3.570
  168   2HD2  LEU  20          2HD2      LEU  20   2.339  -1.108   2.674
  169   3HD2  LEU  20          1HD2      LEU  20   1.002  -0.235   1.924
  170    H    LYS  21           H        LYS  21  -0.139  -5.343   4.336
  171    HA   LYS  21           HA       LYS  21  -2.921  -6.037   4.809
  172   1HB   LYS  21          2HB       LYS  21  -1.449  -7.586   3.624
  173   2HB   LYS  21          1HB       LYS  21  -0.372  -7.666   5.022
  174   1HG   LYS  21          2HG       LYS  21  -1.678  -9.204   6.038
  175   2HG   LYS  21          1HG       LYS  21  -3.136  -8.255   5.744
  176   1HD   LYS  21          2HD       LYS  21  -3.723  -9.798   4.207
  177   2HD   LYS  21          1HD       LYS  21  -2.386  -9.211   3.216
  178   1HE   LYS  21          2HE       LYS  21  -1.596 -11.057   5.387
  179   2HE   LYS  21          1HE       LYS  21  -2.596 -11.785   4.129
  180   1HZ   LYS  21          3HZ       LYS  21  -0.562 -10.075   3.068
  181   2HZ   LYS  21          2HZ       LYS  21   0.088 -11.346   3.990
  182   3HZ   LYS  21          1HZ       LYS  21  -0.935 -11.683   2.675
  183    H    LYS  22           H        LYS  22  -0.216  -5.149   6.737
  184    HA   LYS  22           HA       LYS  22  -1.387  -6.296   9.197
  185   1HB   LYS  22          2HB       LYS  22   0.680  -5.955  10.194
  186   2HB   LYS  22          1HB       LYS  22   1.179  -6.117   8.512
  187   1HG   LYS  22          2HG       LYS  22   2.279  -4.162   9.011
  188   2HG   LYS  22          1HG       LYS  22   0.727  -3.479   8.532
  189   1HD   LYS  22          2HD       LYS  22   0.771  -2.473  10.568
  190   2HD   LYS  22          1HD       LYS  22   0.282  -4.055  11.177
  191   1HE   LYS  22          2HE       LYS  22   2.765  -4.626  11.311
  192   2HE   LYS  22          1HE       LYS  22   3.080  -2.914  11.025
  193   1HZ   LYS  22          1HZ       LYS  22   1.572  -2.469  12.956
  194   2HZ   LYS  22          3HZ       LYS  22   1.605  -4.131  13.289
  195   3HZ   LYS  22          2HZ       LYS  22   3.042  -3.226  13.349
  196    H    GLU  23           H        GLU  23  -0.946  -3.182   7.589
  197    HA   GLU  23           HA       GLU  23  -1.899  -1.661   9.897
  198   1HB   GLU  23          2HB       GLU  23  -1.486  -0.835   7.019
  199   2HB   GLU  23          1HB       GLU  23  -1.823   0.267   8.356
  200   1HG   GLU  23          2HG       GLU  23   0.271  -0.018   9.304
  201   2HG   GLU  23          1HG       GLU  23   0.470  -1.635   8.629
  202    H    LEU  24           H        LEU  24  -3.173  -2.406   6.710
  203    HA   LEU  24           HA       LEU  24  -5.786  -1.300   7.258
  204   1HB   LEU  24          2HB       LEU  24  -5.103  -3.307   5.101
  205   2HB   LEU  24          1HB       LEU  24  -6.375  -2.082   5.084
  206    HG   LEU  24           HG       LEU  24  -3.469  -1.314   5.339
  207   1HD1  LEU  24          1HD1      LEU  24  -4.914  -2.309   2.973
  208   2HD1  LEU  24          3HD1      LEU  24  -4.081  -0.769   2.738
  209   3HD1  LEU  24          2HD1      LEU  24  -3.180  -2.190   3.274
  210   1HD2  LEU  24          3HD2      LEU  24  -6.053   0.022   5.117
  211   2HD2  LEU  24          2HD2      LEU  24  -4.495   0.668   5.630
  212   3HD2  LEU  24          1HD2      LEU  24  -4.897   0.594   3.913
  213    H    ALA  25           H        ALA  25  -4.242  -4.329   7.867
  214    HA   ALA  25           HA       ALA  25  -5.049  -6.136   9.150
  215   1HB   ALA  25          3HB       ALA  25  -6.798  -4.079   9.773
  216   2HB   ALA  25          2HB       ALA  25  -7.868  -5.359   9.199
  217   3HB   ALA  25          1HB       ALA  25  -6.765  -5.666  10.541
  218    H    LEU  26           H        LEU  26  -4.739  -6.583   6.535
  219    HA   LEU  26           HA       LEU  26  -7.233  -7.510   5.295
  220   1HB   LEU  26          2HB       LEU  26  -4.393  -8.059   4.368
  221   2HB   LEU  26          1HB       LEU  26  -5.867  -8.023   3.395
  222    HG   LEU  26           HG       LEU  26  -4.701  -5.636   4.848
  223   1HD1  LEU  26          1HD1      LEU  26  -3.503  -6.548   2.753
  224   2HD1  LEU  26          3HD1      LEU  26  -4.947  -6.048   1.874
  225   3HD1  LEU  26          2HD1      LEU  26  -3.979  -4.849   2.731
  226   1HD2  LEU  26          3HD2      LEU  26  -7.309  -6.217   3.686
  227   2HD2  LEU  26          2HD2      LEU  26  -6.801  -4.828   4.647
  228   3HD2  LEU  26          1HD2      LEU  26  -6.545  -4.835   2.902
  229    HA   PRO  27           HA       PRO  27  -7.031 -11.651   6.675
  230   1HB   PRO  27          2HB       PRO  27  -7.702 -13.080   4.426
  231   2HB   PRO  27          1HB       PRO  27  -8.860 -12.120   5.368
  232   1HG   PRO  27          2HG       PRO  27  -7.633 -11.515   2.725
  233   2HG   PRO  27          1HG       PRO  27  -9.173 -10.960   3.397
  234   1HD   PRO  27          2HD       PRO  27  -6.774  -9.476   3.247
  235   2HD   PRO  27          1HD       PRO  27  -8.217  -9.032   4.183
  236    H    GLU  28           H        GLU  28  -6.269 -14.008   5.643
  237    HA   GLU  28           HA       GLU  28  -3.363 -13.764   5.497
  238   1HB   GLU  28          2HB       GLU  28  -4.471 -15.548   6.801
  239   2HB   GLU  28          1HB       GLU  28  -5.171 -16.192   5.311
  240   1HG   GLU  28          2HG       GLU  28  -2.656 -16.210   4.503
  241   2HG   GLU  28          1HG       GLU  28  -2.314 -16.225   6.234
  242    H    TYR  29           H        TYR  29  -5.897 -15.038   3.328
  243    HA   TYR  29           HA       TYR  29  -4.171 -15.918   1.281
  244   1HB   TYR  29          2HB       TYR  29  -6.147 -15.771  -0.200
  245   2HB   TYR  29          1HB       TYR  29  -6.513 -16.545   1.345
  246    HD1  TYR  29           HD2      TYR  29  -6.462 -13.132  -0.229
  247    HD2  TYR  29           HD1      TYR  29  -8.337 -15.805   2.565
  248    HE1  TYR  29           HE2      TYR  29  -8.248 -11.459   0.173
  249    HE2  TYR  29           HE1      TYR  29 -10.124 -14.128   2.969
  250    HH   TYR  29           HH       TYR  29 -11.142 -12.201   1.750
  251    H    TYR  30           H        TYR  30  -4.645 -12.700   2.224
  252    HA   TYR  30           HA       TYR  30  -4.757 -11.091   0.019
  253   1HB   TYR  30          2HB       TYR  30  -4.199 -10.260   2.274
  254   2HB   TYR  30          1HB       TYR  30  -2.571 -10.919   2.107
  255    HD1  TYR  30           HD1      TYR  30  -1.273 -10.165  -0.052
  256    HD2  TYR  30           HD2      TYR  30  -4.609  -8.069   1.593
  257    HE1  TYR  30           HE1      TYR  30  -0.513  -8.090  -1.178
  258    HE2  TYR  30           HE2      TYR  30  -3.860  -5.982   0.453
  259    HH   TYR  30           HH       TYR  30  -1.609  -5.071  -0.402
  260    H    GLY  31           H        GLY  31  -3.295 -10.399  -1.601
  261   1HA   GLY  31          2HA       GLY  31  -0.993 -12.216  -2.146
  262   2HA   GLY  31          1HA       GLY  31  -2.098 -11.697  -3.429
  263    H    GLU  32           H        GLU  32   0.867 -11.121  -2.363
  264    HA   GLU  32           HA       GLU  32   1.104  -8.348  -1.943
  265   1HB   GLU  32          2HB       GLU  32   2.922 -10.436  -3.097
  266   2HB   GLU  32          1HB       GLU  32   3.432  -8.747  -3.024
  267   1HG   GLU  32          2HG       GLU  32   3.912  -8.960  -0.835
  268   2HG   GLU  32          1HG       GLU  32   2.257  -9.479  -0.506
  269    H    ASN  33           H        ASN  33  -0.453  -7.326  -3.481
  270    HA   ASN  33           HA       ASN  33   0.819  -6.261  -5.755
  271   1HB   ASN  33          2HB       ASN  33  -0.801  -7.544  -7.451
  272   2HB   ASN  33          1HB       ASN  33   0.804  -8.159  -7.051
  273   1HD2  ASN  33          2HD2      ASN  33  -2.246  -9.906  -4.919
  274   2HD2  ASN  33          1HD2      ASN  33  -2.194  -8.216  -5.068
  275    H    LEU  34           H        LEU  34  -0.787  -5.287  -7.363
  276    HA   LEU  34           HA       LEU  34  -2.627  -3.665  -5.871
  277   1HB   LEU  34          2HB       LEU  34  -3.314  -2.881  -8.195
  278   2HB   LEU  34          1HB       LEU  34  -1.603  -2.701  -7.806
  279    HG   LEU  34           HG       LEU  34  -2.315  -5.309  -8.985
  280   1HD1  LEU  34          3HD1      LEU  34  -3.574  -3.134 -10.130
  281   2HD1  LEU  34          2HD1      LEU  34  -2.078  -3.240 -11.058
  282   3HD1  LEU  34          1HD1      LEU  34  -3.164  -4.627 -10.975
  283   1HD2  LEU  34          3HD2      LEU  34  -0.050  -3.711  -8.591
  284   2HD2  LEU  34          2HD2      LEU  34  -0.121  -5.212  -9.515
  285   3HD2  LEU  34          1HD2      LEU  34  -0.326  -3.663 -10.332
  286    H    ASP  35           H        ASP  35  -3.000  -6.821  -7.032
  287    HA   ASP  35           HA       ASP  35  -5.819  -6.534  -7.754
  288   1HB   ASP  35          2HB       ASP  35  -5.379  -9.222  -7.147
  289   2HB   ASP  35          1HB       ASP  35  -5.392  -8.500  -8.748
  290    H    ALA  36           H        ALA  36  -4.029  -7.999  -5.028
  291    HA   ALA  36           HA       ALA  36  -6.450  -8.415  -3.481
  292   1HB   ALA  36          2HB       ALA  36  -3.500  -8.582  -2.888
  293   2HB   ALA  36          1HB       ALA  36  -4.687  -8.678  -1.579
  294   3HB   ALA  36          3HB       ALA  36  -4.703  -9.877  -2.875
  295    H    LEU  37           H        LEU  37  -3.962  -5.995  -3.700
  296    HA   LEU  37           HA       LEU  37  -4.783  -4.460  -1.401
  297   1HB   LEU  37          2HB       LEU  37  -2.550  -4.233  -2.480
  298   2HB   LEU  37          1HB       LEU  37  -3.340  -3.524  -3.890
  299    HG   LEU  37           HG       LEU  37  -4.407  -2.107  -1.737
  300   1HD1  LEU  37          2HD1      LEU  37  -1.530  -2.847  -1.280
  301   2HD1  LEU  37          1HD1      LEU  37  -2.107  -1.254  -0.792
  302   3HD1  LEU  37          3HD1      LEU  37  -2.843  -2.704  -0.112
  303   1HD2  LEU  37          3HD2      LEU  37  -2.416  -1.618  -3.910
  304   2HD2  LEU  37          2HD2      LEU  37  -3.979  -0.855  -3.623
  305   3HD2  LEU  37          1HD2      LEU  37  -2.579  -0.385  -2.659
  306    H    TRP  38           H        TRP  38  -5.205  -3.813  -4.900
  307    HA   TRP  38           HA       TRP  38  -7.094  -1.715  -4.604
  308   1HB   TRP  38          2HB       TRP  38  -5.999  -2.340  -6.755
  309   2HB   TRP  38          1HB       TRP  38  -6.893  -3.850  -6.734
  310    HD1  TRP  38           HD1      TRP  38  -8.712  -3.829  -8.369
  311    HE1  TRP  38           HE1      TRP  38 -10.456  -2.159  -9.253
  312    HE3  TRP  38           HE3      TRP  38  -7.419   0.353  -5.693
  313    HZ2  TRP  38           HZ2      TRP  38 -11.193   0.566  -8.906
  314    HZ3  TRP  38           HZ3      TRP  38  -8.645   2.468  -6.028
  315    HH2  TRP  38           HH2      TRP  38 -10.538   2.580  -7.618
  316    H    ASP  39           H        ASP  39  -7.384  -5.192  -4.675
  317    HA   ASP  39           HA       ASP  39 -10.222  -5.400  -4.652
  318   1HB   ASP  39          2HB       ASP  39  -7.960  -7.142  -3.786
  319   2HB   ASP  39          1HB       ASP  39  -9.568  -7.539  -3.186
  320    H    ALA  40           H        ALA  40  -7.878  -4.825  -2.129
  321    HA   ALA  40           HA       ALA  40  -9.893  -4.949   0.009
  322   1HB   ALA  40          1HB       ALA  40  -7.338  -5.462   0.191
  323   2HB   ALA  40          3HB       ALA  40  -7.171  -3.712   0.339
  324   3HB   ALA  40          2HB       ALA  40  -8.134  -4.610   1.514
  325    H    LEU  41           H        LEU  41  -7.639  -2.311  -0.836
  326    HA   LEU  41           HA       LEU  41  -8.861  -0.167   0.326
  327   1HB   LEU  41          2HB       LEU  41  -7.656  -0.328  -2.438
  328   2HB   LEU  41          1HB       LEU  41  -8.118   1.200  -1.686
  329    HG   LEU  41           HG       LEU  41  -6.377  -0.738  -0.197
  330   1HD1  LEU  41          2HD1      LEU  41  -5.491   1.263  -2.300
  331   2HD1  LEU  41          1HD1      LEU  41  -4.403   0.565  -1.094
  332   3HD1  LEU  41          3HD1      LEU  41  -5.187  -0.474  -2.287
  333   1HD2  LEU  41          2HD2      LEU  41  -7.543   1.526   0.585
  334   2HD2  LEU  41          1HD2      LEU  41  -5.964   1.026   1.184
  335   3HD2  LEU  41          3HD2      LEU  41  -6.079   2.215  -0.116
  336    H    THR  42           H        THR  42  -9.893  -1.736  -2.602
  337    HA   THR  42           HA       THR  42 -12.141   0.099  -2.999
  338    HB   THR  42           HB       THR  42 -12.763  -1.331  -4.851
  339    HG1  THR  42           HG1      THR  42 -12.519  -3.356  -4.185
  340   1HG2  THR  42          2HG2      THR  42  -9.807  -0.858  -4.493
  341   2HG2  THR  42          1HG2      THR  42 -10.460  -1.537  -5.985
  342   3HG2  THR  42          3HG2      THR  42 -10.958   0.069  -5.456
  343    H    GLY  43           H        GLY  43 -12.163  -1.161  -0.360
  344   1HA   GLY  43          2HA       GLY  43 -14.574  -1.599   0.453
  345   2HA   GLY  43          1HA       GLY  43 -14.505  -2.983  -0.638
  346    H    TRP  44           H        TRP  44 -12.047  -1.734   1.702
  347    HA   TRP  44           HA       TRP  44 -12.527  -3.897   3.563
  348   1HB   TRP  44          2HB       TRP  44 -11.485  -5.268   1.820
  349   2HB   TRP  44          1HB       TRP  44 -10.114  -4.157   1.743
  350    HD1  TRP  44           HD1      TRP  44  -8.821  -3.809   4.230
  351    HE1  TRP  44           HE1      TRP  44  -8.217  -5.628   5.954
  352    HE3  TRP  44           HE3      TRP  44 -12.003  -7.511   2.751
  353    HZ2  TRP  44           HZ2      TRP  44  -8.987  -8.302   6.619
  354    HZ3  TRP  44           HZ3      TRP  44 -12.052  -9.683   3.944
  355    HH2  TRP  44           HH2      TRP  44 -10.547 -10.083   5.875
  356    H    VAL  45           H        VAL  45  -9.679  -2.194   2.307
  357    HA   VAL  45           HA       VAL  45  -8.274  -1.707   4.605
  358    HB   VAL  45           HB       VAL  45  -8.736  -0.183   2.102
  359   1HG1  VAL  45          1HG1      VAL  45  -7.536   0.990   4.587
  360   2HG1  VAL  45          3HG1      VAL  45  -6.965   1.483   2.993
  361   3HG1  VAL  45          2HG1      VAL  45  -8.653   1.721   3.438
  362   1HG2  VAL  45          3HG2      VAL  45  -6.767  -1.925   3.269
  363   2HG2  VAL  45          2HG2      VAL  45  -6.893  -1.358   1.604
  364   3HG2  VAL  45          1HG2      VAL  45  -6.010  -0.403   2.795
  365    H    GLU  46           H        GLU  46 -11.325  -0.292   3.750
  366    HA   GLU  46           HA       GLU  46 -12.826   0.917   5.106
  367   1HB   GLU  46          2HB       GLU  46 -11.467  -0.467   6.923
  368   2HB   GLU  46          1HB       GLU  46 -10.808   1.124   7.301
  369   1HG   GLU  46          2HG       GLU  46 -13.781   0.654   7.042
  370   2HG   GLU  46          1HG       GLU  46 -12.934   0.424   8.572
  371    H    TYR  47           H        TYR  47 -13.163   3.134   5.205
  372    HA   TYR  47           HA       TYR  47 -10.750   4.891   5.049
  373   1HB   TYR  47          2HB       TYR  47 -13.265   5.051   3.356
  374   2HB   TYR  47          1HB       TYR  47 -11.945   6.217   3.312
  375    HD1  TYR  47           HD2      TYR  47  -9.574   4.397   3.584
  376    HD2  TYR  47           HD1      TYR  47 -13.160   4.029   1.234
  377    HE1  TYR  47           HE2      TYR  47  -8.368   2.950   1.961
  378    HE2  TYR  47           HE1      TYR  47 -11.946   2.593  -0.380
  379    HH   TYR  47           HH       TYR  47  -9.644   2.196  -1.093
  380    HA   PRO  48           HA       PRO  48 -10.996   7.281   4.350
  381   1HB   PRO  48          2HB       PRO  48  -9.884   9.256   5.900
  382   2HB   PRO  48          1HB       PRO  48 -11.368   9.457   4.949
  383   1HG   PRO  48          2HG       PRO  48 -11.059   9.085   7.899
  384   2HG   PRO  48          1HG       PRO  48 -12.324   9.942   7.000
  385   1HD   PRO  48          2HD       PRO  48 -12.596   7.380   8.114
  386   2HD   PRO  48          1HD       PRO  48 -13.642   8.065   6.848
  387    H    LEU  49           H        LEU  49  -8.833   6.814   4.044
  388    HA   LEU  49           HA       LEU  49  -7.405   5.582   6.364
  389   1HB   LEU  49          2HB       LEU  49  -7.663   3.801   4.912
  390   2HB   LEU  49          1HB       LEU  49  -7.709   4.834   3.488
  391    HG   LEU  49           HG       LEU  49  -5.196   5.252   3.922
  392   1HD1  LEU  49          2HD1      LEU  49  -5.553   4.082   6.281
  393   2HD1  LEU  49          1HD1      LEU  49  -5.270   2.615   5.343
  394   3HD1  LEU  49          3HD1      LEU  49  -4.041   3.877   5.395
  395   1HD2  LEU  49          2HD2      LEU  49  -6.603   3.250   2.535
  396   2HD2  LEU  49          1HD2      LEU  49  -4.953   3.799   2.232
  397   3HD2  LEU  49          3HD2      LEU  49  -5.247   2.434   3.310
  398    H    VAL  50           H        VAL  50  -4.995   5.842   6.270
  399    HA   VAL  50           HA       VAL  50  -4.195   8.315   4.788
  400    HB   VAL  50           HB       VAL  50  -3.984   7.643   7.672
  401   1HG1  VAL  50          1HG1      VAL  50  -1.651   8.792   6.119
  402   2HG1  VAL  50          3HG1      VAL  50  -1.881   9.094   7.841
  403   3HG1  VAL  50          2HG1      VAL  50  -1.634   7.449   7.262
  404   1HG2  VAL  50          2HG2      VAL  50  -5.212   9.576   6.419
  405   2HG2  VAL  50          1HG2      VAL  50  -4.357   9.941   7.919
  406   3HG2  VAL  50          3HG2      VAL  50  -3.614  10.323   6.365
  407    H    LEU  51           H        LEU  51  -3.038   7.336   3.122
  408    HA   LEU  51           HA       LEU  51  -1.251   5.075   3.726
  409   1HB   LEU  51          2HB       LEU  51  -2.527   5.267   1.552
  410   2HB   LEU  51          1HB       LEU  51  -1.504   6.651   1.149
  411    HG   LEU  51           HG       LEU  51   0.484   5.037   1.608
  412   1HD1  LEU  51          2HD1      LEU  51  -1.869   3.195   1.477
  413   2HD1  LEU  51          1HD1      LEU  51  -0.307   2.664   0.838
  414   3HD1  LEU  51          3HD1      LEU  51  -0.457   3.127   2.538
  415   1HD2  LEU  51          3HD2      LEU  51  -1.371   4.870  -0.760
  416   2HD2  LEU  51          2HD2      LEU  51   0.117   5.809  -0.605
  417   3HD2  LEU  51          1HD2      LEU  51   0.191   4.051  -0.728
  418    H    GLU  52           H        GLU  52  -0.122   6.694   5.328
  419    HA   GLU  52           HA       GLU  52   1.556   8.760   4.226
  420   1HB   GLU  52          2HB       GLU  52   1.089   8.776   6.600
  421   2HB   GLU  52          1HB       GLU  52   1.744   7.149   6.789
  422   1HG   GLU  52          2HG       GLU  52   3.839   7.946   7.009
  423   2HG   GLU  52          1HG       GLU  52   3.687   8.889   5.525
  424    H    TRP  53           H        TRP  53   2.532   7.708   2.357
  425    HA   TRP  53           HA       TRP  53   4.155   5.326   2.751
  426   1HB   TRP  53          2HB       TRP  53   2.969   6.178   0.570
  427   2HB   TRP  53          1HB       TRP  53   4.455   7.112   0.356
  428    HD1  TRP  53           HD1      TRP  53   6.755   5.413   0.966
  429    HE1  TRP  53           HE1      TRP  53   7.209   3.100  -0.078
  430    HE3  TRP  53           HE3      TRP  53   2.052   4.222  -0.610
  431    HZ2  TRP  53           HZ2      TRP  53   5.759   1.026  -1.399
  432    HZ3  TRP  53           HZ3      TRP  53   1.612   2.082  -1.764
  433    HH2  TRP  53           HH2      TRP  53   3.463   0.471  -2.155
  434    H    ARG  54           H        ARG  54   5.912   5.645   4.084
  435    HA   ARG  54           HA       ARG  54   7.404   8.099   4.225
  436   1HB   ARG  54          2HB       ARG  54   8.448   5.356   4.962
  437   2HB   ARG  54          1HB       ARG  54   8.896   6.912   5.663
  438   1HG   ARG  54          2HG       ARG  54   6.435   7.126   6.362
  439   2HG   ARG  54          1HG       ARG  54   6.293   5.411   5.975
  440   1HD   ARG  54          2HD       ARG  54   6.831   5.934   8.406
  441   2HD   ARG  54          1HD       ARG  54   7.939   4.814   7.612
  442    HE   ARG  54           HE       ARG  54   8.752   7.636   7.508
  443   1HH1  ARG  54          2HH1      ARG  54   8.559   4.977   9.641
  444   2HH1  ARG  54          1HH1      ARG  54  10.184   5.136  10.222
  445   1HH2  ARG  54          1HH2      ARG  54  11.003   7.687   8.021
  446   2HH2  ARG  54          2HH2      ARG  54  11.568   6.670   9.304
  447    H    GLN  55           H        GLN  55  10.055   6.544   4.063
  448    HA   GLN  55           HA       GLN  55  11.082   7.459   1.682
  449   1HB   GLN  55          2HB       GLN  55  12.077   5.906   3.654
  450   2HB   GLN  55          1HB       GLN  55  11.918   4.693   2.383
  451   1HG   GLN  55          2HG       GLN  55  13.524   5.661   1.069
  452   2HG   GLN  55          1HG       GLN  55  13.101   7.296   1.576
  453   1HE2  GLN  55          2HE2      GLN  55  15.845   7.379   3.768
  454   2HE2  GLN  55          1HE2      GLN  55  14.867   8.195   2.645
  455    H    PHE  56           H        PHE  56   9.659   7.328  -0.091
  456    HA   PHE  56           HA       PHE  56   8.570   4.723  -0.899
  457   1HB   PHE  56          2HB       PHE  56   7.239   6.770  -1.244
  458   2HB   PHE  56          1HB       PHE  56   8.500   7.416  -2.294
  459    HD1  PHE  56           HD2      PHE  56   5.849   4.874  -1.957
  460    HD2  PHE  56           HD1      PHE  56   8.869   6.516  -4.532
  461    HE1  PHE  56           HE2      PHE  56   4.872   3.659  -3.877
  462    HE2  PHE  56           HE1      PHE  56   7.892   5.300  -6.452
  463    HZ   PHE  56           HZ       PHE  56   5.891   3.868  -6.127
  464    H    GLU  57           H        GLU  57  11.197   6.883  -1.836
  465    HA   GLU  57           HA       GLU  57  11.930   5.945  -4.337
  466   1HB   GLU  57          2HB       GLU  57  13.381   7.024  -2.012
  467   2HB   GLU  57          1HB       GLU  57  14.375   6.018  -3.067
  468   1HG   GLU  57          2HG       GLU  57  13.266   7.407  -4.994
  469   2HG   GLU  57          1HG       GLU  57  12.919   8.568  -3.713
  470    H    GLN  58           H        GLN  58  13.942   4.656  -1.747
  471    HA   GLN  58           HA       GLN  58  14.470   2.197  -2.988
  472   1HB   GLN  58          2HB       GLN  58  14.939   1.348  -0.650
  473   2HB   GLN  58          1HB       GLN  58  15.771   2.845  -1.069
  474   1HG   GLN  58          2HG       GLN  58  14.862   3.195   1.114
  475   2HG   GLN  58          1HG       GLN  58  13.808   4.078   0.010
  476   1HE2  GLN  58          2HE2      GLN  58  12.400   0.585   1.676
  477   2HE2  GLN  58          1HE2      GLN  58  14.074   0.797   1.497
  478    H    SER  59           H        SER  59  13.702  -0.005  -2.105
  479    HA   SER  59           HA       SER  59  11.965  -1.489  -1.480
  480   1HB   SER  59          2HB       SER  59  10.176  -0.736  -0.246
  481   2HB   SER  59          1HB       SER  59  11.218   0.677  -0.075
  482    HG   SER  59           HG       SER  59   9.063   1.170  -0.781
  483    H    LYS  60           H        LYS  60  11.177   1.243  -3.608
  484    HA   LYS  60           HA       LYS  60   9.276  -0.368  -5.157
  485   1HB   LYS  60          2HB       LYS  60   8.795   1.975  -4.943
  486   2HB   LYS  60          1HB       LYS  60  10.413   2.410  -5.506
  487   1HG   LYS  60          2HG       LYS  60   8.900   0.671  -7.351
  488   2HG   LYS  60          1HG       LYS  60   8.210   2.279  -7.128
  489   1HD   LYS  60          2HD       LYS  60  10.159   3.357  -7.900
  490   2HD   LYS  60          1HD       LYS  60  11.157   1.925  -7.649
  491   1HE   LYS  60          2HE       LYS  60   9.948   0.765  -9.468
  492   2HE   LYS  60          1HE       LYS  60   8.967   2.206  -9.727
  493   1HZ   LYS  60          1HZ       LYS  60  11.084   3.427 -10.115
  494   2HZ   LYS  60          3HZ       LYS  60  11.898   1.939 -10.086
  495   3HZ   LYS  60          2HZ       LYS  60  10.735   2.246 -11.285
  496    H    GLN  61           H        GLN  61  12.663   0.544  -5.342
  497    HA   GLN  61           HA       GLN  61  12.937  -0.160  -8.158
  498   1HB   GLN  61          2HB       GLN  61  14.693   0.848  -6.008
  499   2HB   GLN  61          1HB       GLN  61  15.485  -0.118  -7.254
  500   1HG   GLN  61          2HG       GLN  61  15.485   1.705  -8.574
  501   2HG   GLN  61          1HG       GLN  61  13.726   1.591  -8.637
  502   1HE2  GLN  61          2HE2      GLN  61  15.487   4.418  -6.267
  503   2HE2  GLN  61          1HE2      GLN  61  16.429   3.212  -7.001
  504    H    LEU  62           H        LEU  62  14.450  -1.519  -5.290
  505    HA   LEU  62           HA       LEU  62  15.618  -3.776  -6.252
  506   1HB   LEU  62          2HB       LEU  62  14.343  -4.845  -4.018
  507   2HB   LEU  62          1HB       LEU  62  15.908  -4.031  -4.034
  508    HG   LEU  62           HG       LEU  62  14.826  -1.887  -3.593
  509   1HD1  LEU  62          3HD1      LEU  62  12.489  -3.410  -4.406
  510   2HD1  LEU  62          2HD1      LEU  62  12.217  -2.591  -2.879
  511   3HD1  LEU  62          1HD1      LEU  62  12.690  -1.660  -4.301
  512   1HD2  LEU  62          3HD2      LEU  62  13.985  -4.153  -1.772
  513   2HD2  LEU  62          2HD2      LEU  62  15.410  -3.124  -1.617
  514   3HD2  LEU  62          1HD2      LEU  62  13.803  -2.451  -1.347
  515    H    THR  63           H        THR  63  12.193  -3.252  -6.173
  516    HA   THR  63           HA       THR  63  11.671  -6.073  -6.921
  517    HB   THR  63           HB       THR  63   9.931  -5.459  -5.522
  518    HG1  THR  63           HG1      THR  63   8.422  -5.761  -6.914
  519   1HG2  THR  63          1HG2      THR  63  10.443  -2.708  -6.582
  520   2HG2  THR  63          3HG2      THR  63   8.881  -3.064  -5.843
  521   3HG2  THR  63          2HG2      THR  63  10.364  -3.267  -4.912
  522    H    GLU  64           H        GLU  64   9.832  -3.395  -8.210
  523    HA   GLU  64           HA       GLU  64  11.009  -2.895 -10.673
  524   1HB   GLU  64          2HB       GLU  64   9.630  -4.554 -12.116
  525   2HB   GLU  64          1HB       GLU  64  11.078  -5.172 -11.320
  526   1HG   GLU  64          2HG       GLU  64   9.862  -6.344  -9.715
  527   2HG   GLU  64          1HG       GLU  64   8.445  -5.308  -9.884
  528    H    ASN  65           H        ASN  65   8.099  -3.575  -8.881
  529    HA   ASN  65           HA       ASN  65   6.835  -1.123  -9.543
  530   1HB   ASN  65          2HB       ASN  65   6.598  -3.111 -11.593
  531   2HB   ASN  65          1HB       ASN  65   5.016  -2.909 -10.839
  532   1HD2  ASN  65          1HD2      ASN  65   7.024  -1.621 -13.226
  533   2HD2  ASN  65          2HD2      ASN  65   6.313  -0.085 -13.358
  534    H    GLY  66           H        GLY  66   7.300  -2.964  -7.319
  535   1HA   GLY  66          2HA       GLY  66   4.703  -4.126  -6.630
  536   2HA   GLY  66          1HA       GLY  66   6.128  -4.063  -5.584
  537    H    ALA  67           H        ALA  67   6.723  -1.614  -5.062
  538    HA   ALA  67           HA       ALA  67   4.520  -0.555  -3.521
  539   1HB   ALA  67          1HB       ALA  67   7.242   0.545  -4.265
  540   2HB   ALA  67          3HB       ALA  67   6.109   1.428  -3.244
  541   3HB   ALA  67          2HB       ALA  67   6.740  -0.132  -2.717
  542    H    GLU  68           H        GLU  68   5.959   0.294  -6.650
  543    HA   GLU  68           HA       GLU  68   4.588   2.730  -7.061
  544   1HB   GLU  68          2HB       GLU  68   6.078   0.810  -8.685
  545   2HB   GLU  68          1HB       GLU  68   4.769   1.580  -9.582
  546   1HG   GLU  68          2HG       GLU  68   6.288   3.447  -7.898
  547   2HG   GLU  68          1HG       GLU  68   7.256   2.690  -9.161
  548    H    SER  69           H        SER  69   3.543  -0.613  -7.431
  549    HA   SER  69           HA       SER  69   1.066   0.182  -8.792
  550   1HB   SER  69          2HB       SER  69   2.524  -2.200  -8.585
  551   2HB   SER  69          1HB       SER  69   1.044  -2.506  -7.682
  552    HG   SER  69           HG       SER  69   1.290  -2.625 -10.229
  553    H    VAL  70           H        VAL  70   1.907  -1.103  -5.537
  554    HA   VAL  70           HA       VAL  70  -0.698  -1.183  -4.501
  555    HB   VAL  70           HB       VAL  70   1.848  -0.279  -3.114
  556   1HG1  VAL  70          1HG1      VAL  70  -0.764   0.091  -2.240
  557   2HG1  VAL  70          3HG1      VAL  70  -0.298  -1.428  -1.485
  558   3HG1  VAL  70          2HG1      VAL  70   0.658   0.025  -1.200
  559   1HG2  VAL  70          3HG2      VAL  70   0.775  -2.870  -3.908
  560   2HG2  VAL  70          2HG2      VAL  70   2.363  -2.479  -3.246
  561   3HG2  VAL  70          1HG2      VAL  70   1.006  -2.780  -2.161
  562    H    LEU  71           H        LEU  71   1.408   1.401  -5.368
  563    HA   LEU  71           HA       LEU  71  -0.141   3.411  -4.002
  564   1HB   LEU  71          2HB       LEU  71   2.421   3.310  -4.968
  565   2HB   LEU  71          1HB       LEU  71   1.618   4.267  -6.207
  566    HG   LEU  71           HG       LEU  71   1.669   6.084  -4.881
  567   1HD1  LEU  71          3HD1      LEU  71  -0.433   5.281  -3.798
  568   2HD1  LEU  71          2HD1      LEU  71   0.555   4.445  -2.594
  569   3HD1  LEU  71          1HD1      LEU  71   0.594   6.206  -2.697
  570   1HD2  LEU  71          1HD2      LEU  71   3.198   4.103  -3.260
  571   2HD2  LEU  71          3HD2      LEU  71   3.776   5.535  -4.109
  572   3HD2  LEU  71          2HD2      LEU  71   2.900   5.705  -2.588
  573    H    GLN  72           H        GLN  72   0.389   2.569  -7.444
  574    HA   GLN  72           HA       GLN  72  -1.422   4.396  -8.557
  575   1HB   GLN  72          2HB       GLN  72  -0.418   1.720  -9.324
  576   2HB   GLN  72          1HB       GLN  72  -1.943   2.191 -10.076
  577   1HG   GLN  72          2HG       GLN  72  -0.838   4.391 -10.690
  578   2HG   GLN  72          1HG       GLN  72   0.690   3.681 -10.167
  579   1HE2  GLN  72          2HE2      GLN  72  -0.142   1.013 -12.844
  580   2HE2  GLN  72          1HE2      GLN  72  -0.385   0.949 -11.165
  581    H    VAL  73           H        VAL  73  -2.023   1.607  -6.632
  582    HA   VAL  73           HA       VAL  73  -4.906   1.568  -7.216
  583    HB   VAL  73           HB       VAL  73  -3.236  -0.042  -5.268
  584   1HG1  VAL  73          2HG1      VAL  73  -5.727   0.267  -4.744
  585   2HG1  VAL  73          1HG1      VAL  73  -6.030  -0.607  -6.244
  586   3HG1  VAL  73          3HG1      VAL  73  -5.163  -1.395  -4.929
  587   1HG2  VAL  73          1HG2      VAL  73  -3.558  -0.111  -8.090
  588   2HG2  VAL  73          3HG2      VAL  73  -2.732  -1.293  -7.074
  589   3HG2  VAL  73          2HG2      VAL  73  -4.450  -1.490  -7.437
  590    H    PHE  74           H        PHE  74  -2.819   2.343  -4.413
  591    HA   PHE  74           HA       PHE  74  -4.828   2.976  -2.583
  592   1HB   PHE  74          2HB       PHE  74  -1.978   3.670  -2.984
  593   2HB   PHE  74          1HB       PHE  74  -2.899   4.804  -2.013
  594    HD1  PHE  74           HD2      PHE  74  -4.597   3.582  -0.280
  595    HD2  PHE  74           HD1      PHE  74  -0.962   1.920  -1.854
  596    HE1  PHE  74           HE2      PHE  74  -4.507   1.966   1.593
  597    HE2  PHE  74           HE1      PHE  74  -0.891   0.306   0.026
  598    HZ   PHE  74           HZ       PHE  74  -2.678   0.339   1.738
  599    H    ARG  75           H        ARG  75  -3.045   5.069  -4.804
  600    HA   ARG  75           HA       ARG  75  -4.666   7.390  -4.493
  601   1HB   ARG  75          2HB       ARG  75  -2.921   6.444  -6.783
  602   2HB   ARG  75          1HB       ARG  75  -3.686   8.030  -6.730
  603   1HG   ARG  75          2HG       ARG  75  -2.486   8.600  -4.694
  604   2HG   ARG  75          1HG       ARG  75  -1.823   6.969  -4.589
  605   1HD   ARG  75          2HD       ARG  75  -1.107   9.182  -6.476
  606   2HD   ARG  75          1HD       ARG  75  -0.051   8.077  -5.596
  607    HE   ARG  75           HE       ARG  75  -0.728   6.312  -7.232
  608   1HH1  ARG  75          2HH1      ARG  75  -2.892   6.874  -8.772
  609   2HH1  ARG  75          1HH1      ARG  75  -2.357   7.848 -10.101
  610   1HH2  ARG  75          1HH2      ARG  75   0.622   8.758  -8.576
  611   2HH2  ARG  75          2HH2      ARG  75  -0.366   8.914  -9.990
  612    H    GLU  76           H        GLU  76  -4.785   4.682  -6.880
  613    HA   GLU  76           HA       GLU  76  -6.873   5.675  -8.494
  614   1HB   GLU  76          2HB       GLU  76  -5.830   3.017  -7.775
  615   2HB   GLU  76          1HB       GLU  76  -7.514   3.021  -8.294
  616   1HG   GLU  76          2HG       GLU  76  -6.996   3.913 -10.395
  617   2HG   GLU  76          1HG       GLU  76  -5.428   4.515  -9.854
  618    H    ALA  77           H        ALA  77  -6.942   4.434  -5.244
  619    HA   ALA  77           HA       ALA  77  -9.859   4.159  -5.159
  620   1HB   ALA  77          3HB       ALA  77  -7.857   3.071  -3.674
  621   2HB   ALA  77          2HB       ALA  77  -8.309   4.424  -2.639
  622   3HB   ALA  77          1HB       ALA  77  -9.516   3.222  -3.090
  623    H    LYS  78           H        LYS  78  -7.461   6.413  -3.731
  624    HA   LYS  78           HA       LYS  78  -9.400   8.195  -2.644
  625   1HB   LYS  78          2HB       LYS  78  -7.574   9.576  -2.194
  626   2HB   LYS  78          1HB       LYS  78  -6.808   7.998  -2.293
  627   1HG   LYS  78          2HG       LYS  78  -5.425   8.949  -3.811
  628   2HG   LYS  78          1HG       LYS  78  -6.789   8.852  -4.925
  629   1HD   LYS  78          2HD       LYS  78  -6.035  11.131  -4.961
  630   2HD   LYS  78          1HD       LYS  78  -7.535  11.109  -4.031
  631   1HE   LYS  78          2HE       LYS  78  -5.582  10.592  -2.121
  632   2HE   LYS  78          1HE       LYS  78  -4.827  11.797  -3.165
  633   1HZ   LYS  78          2HZ       LYS  78  -6.821  13.168  -2.928
  634   2HZ   LYS  78          1HZ       LYS  78  -7.490  12.021  -1.868
  635   3HZ   LYS  78          3HZ       LYS  78  -6.087  12.865  -1.426
  636    H    ALA  79           H        ALA  79  -8.600   7.471  -5.852
  637    HA   ALA  79           HA       ALA  79  -9.324  10.118  -6.946
  638   1HB   ALA  79          2HB       ALA  79  -7.666   8.054  -7.811
  639   2HB   ALA  79          1HB       ALA  79  -9.103   7.882  -8.825
  640   3HB   ALA  79          3HB       ALA  79  -8.216   9.410  -8.798
  641    H    GLU  80           H        GLU  80 -10.276   6.828  -7.831
  642    HA   GLU  80           HA       GLU  80 -12.691   7.399  -9.059
  643   1HB   GLU  80          2HB       GLU  80 -12.233   4.982  -7.302
  644   2HB   GLU  80          1HB       GLU  80 -13.248   5.100  -8.738
  645   1HG   GLU  80          2HG       GLU  80 -10.598   5.942  -9.427
  646   2HG   GLU  80          1HG       GLU  80 -10.506   4.377  -8.616
  647    H    GLY  81           H        GLY  81 -12.385   6.388  -5.606
  648   1HA   GLY  81          2HA       GLY  81 -14.427   8.334  -4.844
  649   2HA   GLY  81          1HA       GLY  81 -15.039   6.677  -4.842
  650    H    ALA  82           H        ALA  82 -12.507   5.494  -3.991
  651    HA   ALA  82           HA       ALA  82 -12.779   5.217  -1.293
  652   1HB   ALA  82          2HB       ALA  82 -10.799   4.589  -3.134
  653   2HB   ALA  82          1HB       ALA  82  -9.949   5.564  -1.929
  654   3HB   ALA  82          3HB       ALA  82 -10.820   4.110  -1.441
  655    H    ASP  83           H        ASP  83 -11.961   6.246   0.591
  656    HA   ASP  83           HA       ASP  83 -11.334   9.142   0.210
  657   1HB   ASP  83          2HB       ASP  83 -12.785   7.592   2.330
  658   2HB   ASP  83          1HB       ASP  83 -11.942   9.071   2.795
  659    H    ILE  84           H        ILE  84  -9.148   7.893  -0.281
  660    HA   ILE  84           HA       ILE  84  -7.689   7.458   2.282
  661    HB   ILE  84           HB       ILE  84  -7.065   6.577  -0.546
  662   1HG1  ILE  84          2HG1      ILE  84  -7.406   4.671   1.674
  663   2HG1  ILE  84          1HG1      ILE  84  -8.866   5.536   1.194
  664   1HG2  ILE  84          3HG2      ILE  84  -5.117   7.148   1.122
  665   2HG2  ILE  84          2HG2      ILE  84  -5.636   5.675   1.946
  666   3HG2  ILE  84          1HG2      ILE  84  -5.085   5.602   0.270
  667   1HD1  ILE  84          3HD1      ILE  84  -7.291   4.617  -1.090
  668   2HD1  ILE  84          2HD1      ILE  84  -7.838   3.293  -0.061
  669   3HD1  ILE  84          1HD1      ILE  84  -9.010   4.415  -0.755
  670    H    THR  85           H        THR  85  -5.720   8.524   2.624
  671    HA   THR  85           HA       THR  85  -5.211  10.868   0.851
  672    HB   THR  85           HB       THR  85  -4.237  10.501   3.698
  673    HG1  THR  85           HG1      THR  85  -6.029  11.640   4.335
  674   1HG2  THR  85          1HG2      THR  85  -4.072  12.574   1.617
  675   2HG2  THR  85          3HG2      THR  85  -4.586  13.180   3.191
  676   3HG2  THR  85          2HG2      THR  85  -3.055  12.318   3.034
  677    H    ILE  86           H        ILE  86  -3.737  10.031  -0.605
  678    HA   ILE  86           HA       ILE  86  -1.632   8.220   0.294
  679    HB   ILE  86           HB       ILE  86  -2.725   9.168  -2.270
  680   1HG1  ILE  86          2HG1      ILE  86  -2.460   6.880  -2.866
  681   2HG1  ILE  86          1HG1      ILE  86  -1.220   6.625  -1.644
  682   1HG2  ILE  86          2HG2      ILE  86   0.232   8.535  -2.019
  683   2HG2  ILE  86          1HG2      ILE  86  -0.653   8.607  -3.542
  684   3HG2  ILE  86          3HG2      ILE  86  -0.468  10.061  -2.559
  685   1HD1  ILE  86          2HD1      ILE  86  -3.522   7.545  -0.260
  686   2HD1  ILE  86          1HD1      ILE  86  -4.076   6.331  -1.409
  687   3HD1  ILE  86          3HD1      ILE  86  -2.828   5.921  -0.233
  688    H    ILE  87           H        ILE  87   0.163   8.935   1.258
  689    HA   ILE  87           HA       ILE  87   1.007  11.755   0.777
  690    HB   ILE  87           HB       ILE  87   2.139   9.861   2.842
  691   1HG1  ILE  87          2HG1      ILE  87  -0.366  11.555   2.906
  692   2HG1  ILE  87          1HG1      ILE  87  -0.183   9.858   3.350
  693   1HG2  ILE  87          3HG2      ILE  87   1.985  12.879   2.573
  694   2HG2  ILE  87          2HG2      ILE  87   2.605  12.039   3.995
  695   3HG2  ILE  87          1HG2      ILE  87   3.435  11.884   2.446
  696   1HD1  ILE  87          1HD1      ILE  87   1.249  10.530   5.263
  697   2HD1  ILE  87          3HD1      ILE  87   1.005  12.222   4.833
  698   3HD1  ILE  87          2HD1      ILE  87  -0.360  11.242   5.369
  699    H    LEU  88           H        LEU  88   2.913  12.226  -0.251
  700    HA   LEU  88           HA       LEU  88   5.154  10.440  -0.416
  701   1HB   LEU  88          2HB       LEU  88   3.093  10.301  -2.565
  702   2HB   LEU  88          1HB       LEU  88   4.782  10.296  -3.071
  703    HG   LEU  88           HG       LEU  88   4.580   8.540  -0.847
  704   1HD1  LEU  88          2HD1      LEU  88   2.084   8.659  -1.682
  705   2HD1  LEU  88          1HD1      LEU  88   2.680   7.636  -2.990
  706   3HD1  LEU  88          3HD1      LEU  88   2.810   7.093  -1.317
  707   1HD2  LEU  88          3HD2      LEU  88   5.169   8.386  -3.777
  708   2HD2  LEU  88          2HD2      LEU  88   6.201   7.984  -2.404
  709   3HD2  LEU  88          1HD2      LEU  88   4.925   6.874  -2.903
  710    H    SER  89           HN       SER  89   5.284  12.982   0.286
  711    HA   SER  89           HA       SER  89   5.465  14.924  -1.810
  712   1HB   SER  89          2HB       SER  89   5.885  14.851   1.003
  713   2HB   SER  89          1HB       SER  89   7.354  15.504   0.275
  714    HG   SER  89           HG       SER  89   4.925  16.640   0.564
   
  No H/Q in entry =         714
  Start of MODEL   12
    1   1H    LYS   1          1H        LYS   1  -8.453   5.176   8.342
    2   2H    LYS   1          3H        LYS   1  -8.470   3.747   7.430
    3   3H    LYS   1          2H        LYS   1  -9.345   3.836   8.883
    4    HA   LYS   1           HA       LYS   1  -7.474   3.719  10.203
    5   1HB   LYS   1          2HB       LYS   1  -6.657   2.139   7.751
    6   2HB   LYS   1          1HB       LYS   1  -6.269   1.780   9.433
    7   1HG   LYS   1          2HG       LYS   1  -8.532   1.221   9.941
    8   2HG   LYS   1          1HG       LYS   1  -9.117   1.913   8.427
    9   1HD   LYS   1          2HD       LYS   1  -8.732  -0.007   7.311
   10   2HD   LYS   1          1HD       LYS   1  -7.088  -0.112   7.941
   11   1HE   LYS   1          2HE       LYS   1  -7.916  -1.954   9.014
   12   2HE   LYS   1          1HE       LYS   1  -8.481  -0.753  10.176
   13   1HZ   LYS   1          1HZ       LYS   1 -10.585  -0.651   8.992
   14   2HZ   LYS   1          3HZ       LYS   1 -10.042  -1.813   7.882
   15   3HZ   LYS   1          2HZ       LYS   1 -10.263  -2.236   9.513
   16    H    LYS   2           H        LYS   2  -4.842   3.272   9.740
   17    HA   LYS   2           HA       LYS   2  -3.866   5.519   8.048
   18   1HB   LYS   2          2HB       LYS   2  -4.048   6.465  10.279
   19   2HB   LYS   2          1HB       LYS   2  -3.189   5.088  10.971
   20   1HG   LYS   2          2HG       LYS   2  -1.457   5.929   9.003
   21   2HG   LYS   2          1HG       LYS   2  -2.133   7.451   9.581
   22   1HD   LYS   2          2HD       LYS   2  -1.392   7.081  11.791
   23   2HD   LYS   2          1HD       LYS   2  -1.146   5.356  11.509
   24   1HE   LYS   2          2HE       LYS   2   0.523   6.312   9.644
   25   2HE   LYS   2          1HE       LYS   2   0.591   7.660  10.777
   26   1HZ   LYS   2          2HZ       LYS   2   1.038   4.815  11.501
   27   2HZ   LYS   2          1HZ       LYS   2   2.273   5.952  11.237
   28   3HZ   LYS   2          3HZ       LYS   2   1.197   6.156  12.532
   29    H    ALA   3           H        ALA   3  -2.871   4.114   6.599
   30    HA   ALA   3           HA       ALA   3  -1.106   1.983   7.621
   31   1HB   ALA   3          3HB       ALA   3  -2.364   2.675   5.048
   32   2HB   ALA   3          2HB       ALA   3  -0.712   2.076   4.899
   33   3HB   ALA   3          1HB       ALA   3  -1.937   1.093   5.701
   34    H    VAL   4           H        VAL   4   1.164   1.981   7.277
   35    HA   VAL   4           HA       VAL   4   2.321   4.574   6.364
   36    HB   VAL   4           HB       VAL   4   3.371   2.978   8.713
   37   1HG1  VAL   4          3HG1      VAL   4   4.269   5.283   7.171
   38   2HG1  VAL   4          2HG1      VAL   4   4.111   5.665   8.886
   39   3HG1  VAL   4          1HG1      VAL   4   5.144   4.331   8.371
   40   1HG2  VAL   4          3HG2      VAL   4   1.023   4.553   8.608
   41   2HG2  VAL   4          2HG2      VAL   4   1.841   3.950  10.049
   42   3HG2  VAL   4          1HG2      VAL   4   2.243   5.543   9.409
   43    H    ILE   5           H        ILE   5   3.802   4.264   4.815
   44    HA   ILE   5           HA       ILE   5   4.867   1.533   4.359
   45    HB   ILE   5           HB       ILE   5   5.238   3.964   2.603
   46   1HG1  ILE   5          2HG1      ILE   5   2.768   3.297   3.289
   47   2HG1  ILE   5          1HG1      ILE   5   3.148   3.677   1.622
   48   1HG2  ILE   5          2HG2      ILE   5   5.874   1.120   2.461
   49   2HG2  ILE   5          1HG2      ILE   5   4.959   1.667   1.058
   50   3HG2  ILE   5          3HG2      ILE   5   6.477   2.458   1.481
   51   1HD1  ILE   5          1HD1      ILE   5   3.489   1.219   1.211
   52   2HD1  ILE   5          3HD1      ILE   5   2.890   0.924   2.843
   53   3HD1  ILE   5          2HD1      ILE   5   1.836   1.659   1.634
   54    H    ASN   6           H        ASN   6   6.955   1.088   4.933
   55    HA   ASN   6           HA       ASN   6   8.705   3.429   5.539
   56   1HB   ASN   6          2HB       ASN   6   9.236   0.742   6.743
   57   2HB   ASN   6          1HB       ASN   6   9.553   2.345   7.403
   58   1HD2  ASN   6          2HD2      ASN   6   6.705   2.004   9.418
   59   2HD2  ASN   6          1HD2      ASN   6   8.361   2.357   9.307
   60    H    GLY   7           H        GLY   7  10.128   3.619   3.877
   61   1HA   GLY   7          2HA       GLY   7  10.913   1.280   2.312
   62   2HA   GLY   7          1HA       GLY   7  11.471   2.938   2.051
   63    H    GLU   8           H        GLU   8  11.849   2.471   5.269
   64    HA   GLU   8           HA       GLU   8  14.690   1.683   4.902
   65   1HB   GLU   8          2HB       GLU   8  14.183   3.896   5.979
   66   2HB   GLU   8          1HB       GLU   8  13.403   3.019   7.296
   67   1HG   GLU   8          2HG       GLU   8  15.554   3.272   8.149
   68   2HG   GLU   8          1HG       GLU   8  15.685   1.697   7.365
   69    H    GLN   9           H        GLN   9  11.726   0.551   6.082
   70    HA   GLN   9           HA       GLN   9  13.113  -1.532   7.716
   71   1HB   GLN   9          2HB       GLN   9  11.399  -0.002   8.869
   72   2HB   GLN   9          1HB       GLN   9  10.180  -0.829   7.897
   73   1HG   GLN   9          2HG       GLN   9  11.002  -3.010   8.814
   74   2HG   GLN   9          1HG       GLN   9  12.086  -2.111   9.875
   75   1HE2  GLN   9          2HE2      GLN   9   9.291  -0.709  11.780
   76   2HE2  GLN   9          1HE2      GLN   9  10.748  -0.194  11.077
   77    H    ILE  10           H        ILE  10  11.135  -0.872   5.004
   78    HA   ILE  10           HA       ILE  10  10.101  -3.580   4.704
   79    HB   ILE  10           HB       ILE  10  10.309  -1.278   2.740
   80   1HG1  ILE  10          2HG1      ILE  10   8.778  -1.130   4.814
   81   2HG1  ILE  10          1HG1      ILE  10   8.020  -0.860   3.246
   82   1HG2  ILE  10          1HG2      ILE  10   9.653  -4.105   2.392
   83   2HG2  ILE  10          3HG2      ILE  10   8.327  -3.049   1.894
   84   3HG2  ILE  10          2HG2      ILE  10   9.925  -2.860   1.171
   85   1HD1  ILE  10          1HD1      ILE  10   7.400  -3.317   3.241
   86   2HD1  ILE  10          3HD1      ILE  10   7.949  -3.384   4.914
   87   3HD1  ILE  10          2HD1      ILE  10   6.590  -2.353   4.473
   88    H    ARG  11           H        ARG  11  11.851  -4.971   4.719
   89    HA   ARG  11           HA       ARG  11  14.349  -4.615   3.444
   90   1HB   ARG  11          2HB       ARG  11  13.307  -7.378   3.284
   91   2HB   ARG  11          1HB       ARG  11  14.789  -6.775   4.029
   92   1HG   ARG  11          2HG       ARG  11  13.316  -5.827   5.882
   93   2HG   ARG  11          1HG       ARG  11  11.999  -6.777   5.185
   94   1HD   ARG  11          2HD       ARG  11  13.214  -8.840   5.536
   95   2HD   ARG  11          1HD       ARG  11  14.660  -7.960   6.031
   96    HE   ARG  11           HE       ARG  11  12.603  -7.162   7.785
   97   1HH1  ARG  11          1HH2      ARG  11  14.977  -9.530   7.268
   98   2HH1  ARG  11          2HH2      ARG  11  14.514 -10.516   8.615
   99   1HH2  ARG  11          2HH1      ARG  11  11.690  -8.644   9.356
  100   2HH2  ARG  11          1HH1      ARG  11  12.653 -10.015   9.796
  101    H    SER  12           H        SER  12  11.393  -6.150   2.192
  102    HA   SER  12           HA       SER  12  12.249  -5.381  -0.543
  103   1HB   SER  12          2HB       SER  12  12.557  -8.019   0.448
  104   2HB   SER  12          1HB       SER  12  11.178  -8.053  -0.649
  105    HG   SER  12           HG       SER  12  12.744  -6.674  -1.996
  106    H    ILE  13           H        ILE  13  10.421  -5.800  -2.128
  107    HA   ILE  13           HA       ILE  13   8.060  -4.530  -1.460
  108    HB   ILE  13           HB       ILE  13   8.731  -5.236  -3.751
  109   1HG1  ILE  13          2HG1      ILE  13   6.298  -4.641  -2.970
  110   2HG1  ILE  13          1HG1      ILE  13   6.541  -5.326  -4.572
  111   1HG2  ILE  13          1HG2      ILE  13   7.893  -7.937  -2.696
  112   2HG2  ILE  13          3HG2      ILE  13   8.014  -7.582  -4.418
  113   3HG2  ILE  13          2HG2      ILE  13   9.446  -7.480  -3.394
  114   1HD1  ILE  13          3HD1      ILE  13   6.137  -7.619  -3.431
  115   2HD1  ILE  13          2HD1      ILE  13   5.484  -6.673  -2.099
  116   3HD1  ILE  13          1HD1      ILE  13   4.752  -6.569  -3.694
  117    H    SER  14           H        SER  14   8.912  -7.895  -0.847
  118    HA   SER  14           HA       SER  14   6.403  -8.959  -0.170
  119   1HB   SER  14          2HB       SER  14   9.202  -9.479   0.728
  120   2HB   SER  14          1HB       SER  14   7.895 -10.190   1.670
  121    HG   SER  14           HG       SER  14   7.110 -10.786  -0.593
  122    H    ASP  15           H        ASP  15   8.695  -7.323   2.065
  123    HA   ASP  15           HA       ASP  15   6.906  -7.322   4.284
  124   1HB   ASP  15          2HB       ASP  15   9.493  -6.150   3.581
  125   2HB   ASP  15          1HB       ASP  15   8.541  -5.124   4.646
  126    H    LEU  16           H        LEU  16   7.056  -5.402   1.456
  127    HA   LEU  16           HA       LEU  16   5.760  -3.015   2.413
  128   1HB   LEU  16          2HB       LEU  16   6.951  -3.220   0.218
  129   2HB   LEU  16          1HB       LEU  16   5.641  -4.245  -0.354
  130    HG   LEU  16           HG       LEU  16   4.286  -2.471  -0.753
  131   1HD1  LEU  16          1HD1      LEU  16   5.284  -1.307   1.864
  132   2HD1  LEU  16          3HD1      LEU  16   4.126  -0.490   0.814
  133   3HD1  LEU  16          2HD1      LEU  16   3.709  -2.037   1.551
  134   1HD2  LEU  16          1HD2      LEU  16   6.670  -1.787  -1.482
  135   2HD2  LEU  16          3HD2      LEU  16   5.435  -0.530  -1.409
  136   3HD2  LEU  16          2HD2      LEU  16   6.615  -0.688  -0.106
  137    H    HIS  17           H        HIS  17   4.461  -5.694   0.467
  138    HA   HIS  17           HA       HIS  17   1.731  -5.005   0.868
  139   1HB   HIS  17          2HB       HIS  17   3.014  -7.664   0.201
  140   2HB   HIS  17          1HB       HIS  17   1.278  -7.340   0.096
  141    HD1  HIS  17           HD1      HIS  17   0.676  -6.886  -2.287
  142    HD2  HIS  17           HD2      HIS  17   4.371  -5.228  -1.308
  143    HE1  HIS  17           HE1      HIS  17   1.491  -5.658  -4.352
  144    H    GLN  18           H        GLN  18   4.006  -6.454   2.947
  145    HA   GLN  18           HA       GLN  18   2.021  -7.787   4.645
  146   1HB   GLN  18          2HB       GLN  18   4.968  -7.174   4.998
  147   2HB   GLN  18          1HB       GLN  18   3.999  -7.971   6.239
  148   1HG   GLN  18          2HG       GLN  18   3.345  -9.666   4.436
  149   2HG   GLN  18          1HG       GLN  18   4.637  -8.970   3.458
  150   1HE2  GLN  18          2HE2      GLN  18   7.220 -10.552   5.279
  151   2HE2  GLN  18          1HE2      GLN  18   6.816  -9.500   4.010
  152    H    THR  19           H        THR  19   3.712  -4.787   4.414
  153    HA   THR  19           HA       THR  19   2.927  -3.720   6.982
  154    HB   THR  19           HB       THR  19   4.114  -2.592   4.462
  155    HG1  THR  19           HG1      THR  19   5.319  -3.597   6.213
  156   1HG2  THR  19          3HG2      THR  19   2.483  -1.115   6.393
  157   2HG2  THR  19          2HG2      THR  19   4.118  -0.471   6.244
  158   3HG2  THR  19          1HG2      THR  19   3.092  -0.610   4.816
  159    H    LEU  20           H        LEU  20   1.578  -3.809   3.788
  160    HA   LEU  20           HA       LEU  20  -0.613  -1.948   4.435
  161   1HB   LEU  20          2HB       LEU  20  -0.836  -3.863   2.143
  162   2HB   LEU  20          1HB       LEU  20  -1.305  -2.164   2.229
  163    HG   LEU  20           HG       LEU  20   1.546  -3.135   2.193
  164   1HD1  LEU  20          3HD1      LEU  20  -0.276  -2.207  -0.007
  165   2HD1  LEU  20          2HD1      LEU  20   1.480  -2.110  -0.147
  166   3HD1  LEU  20          1HD1      LEU  20   0.696  -3.676   0.058
  167   1HD2  LEU  20          2HD2      LEU  20   1.183  -0.943   3.274
  168   2HD2  LEU  20          1HD2      LEU  20   2.044  -0.761   1.746
  169   3HD2  LEU  20          3HD2      LEU  20   0.323  -0.390   1.836
  170    H    LYS  21           H        LYS  21   0.028  -5.370   4.296
  171    HA   LYS  21           HA       LYS  21  -2.701  -6.229   4.769
  172   1HB   LYS  21          2HB       LYS  21  -1.211  -7.841   3.823
  173   2HB   LYS  21          1HB       LYS  21  -0.009  -7.573   5.089
  174   1HG   LYS  21          2HG       LYS  21  -1.158  -8.838   6.632
  175   2HG   LYS  21          1HG       LYS  21  -2.732  -8.416   5.955
  176   1HD   LYS  21          2HD       LYS  21  -2.637 -10.070   4.336
  177   2HD   LYS  21          1HD       LYS  21  -0.874 -10.072   4.294
  178   1HE   LYS  21          2HE       LYS  21  -2.148 -12.068   5.441
  179   2HE   LYS  21          1HE       LYS  21  -0.694 -11.412   6.193
  180   1HZ   LYS  21          3HZ       LYS  21  -3.201 -10.120   6.893
  181   2HZ   LYS  21          2HZ       LYS  21  -2.991 -11.700   7.480
  182   3HZ   LYS  21          1HZ       LYS  21  -1.863 -10.490   7.865
  183    H    LYS  22           H        LYS  22  -0.099  -5.045   6.725
  184    HA   LYS  22           HA       LYS  22  -1.242  -6.048   9.241
  185   1HB   LYS  22          2HB       LYS  22   1.100  -5.910   9.340
  186   2HB   LYS  22          1HB       LYS  22   1.143  -4.372   8.481
  187   1HG   LYS  22          2HG       LYS  22   0.134  -3.248  10.430
  188   2HG   LYS  22          1HG       LYS  22   0.085  -4.786  11.295
  189   1HD   LYS  22          2HD       LYS  22   2.739  -4.342  10.248
  190   2HD   LYS  22          1HD       LYS  22   2.232  -2.946  11.201
  191   1HE   LYS  22          2HE       LYS  22   1.368  -5.172  12.673
  192   2HE   LYS  22          1HE       LYS  22   2.981  -5.602  12.105
  193   1HZ   LYS  22          3HZ       LYS  22   2.272  -3.077  13.499
  194   2HZ   LYS  22          2HZ       LYS  22   3.042  -4.410  14.217
  195   3HZ   LYS  22          1HZ       LYS  22   3.825  -3.533  12.990
  196    H    GLU  23           H        GLU  23  -0.893  -2.887   7.596
  197    HA   GLU  23           HA       GLU  23  -2.375  -1.493   9.675
  198   1HB   GLU  23          2HB       GLU  23  -1.880  -0.523   6.860
  199   2HB   GLU  23          1HB       GLU  23  -2.151   0.452   8.305
  200   1HG   GLU  23          2HG       GLU  23   0.157  -1.459   8.276
  201   2HG   GLU  23          1HG       GLU  23   0.306   0.061   7.394
  202    H    LEU  24           H        LEU  24  -3.084  -2.251   6.314
  203    HA   LEU  24           HA       LEU  24  -5.830  -1.501   6.381
  204   1HB   LEU  24          2HB       LEU  24  -4.652  -3.680   4.639
  205   2HB   LEU  24          1HB       LEU  24  -6.034  -2.645   4.282
  206    HG   LEU  24           HG       LEU  24  -3.307  -1.454   4.774
  207   1HD1  LEU  24          1HD1      LEU  24  -4.394  -2.691   2.249
  208   2HD1  LEU  24          3HD1      LEU  24  -3.171  -1.420   2.209
  209   3HD1  LEU  24          2HD1      LEU  24  -2.824  -2.953   3.011
  210   1HD2  LEU  24          2HD2      LEU  24  -5.586  -0.189   4.666
  211   2HD2  LEU  24          1HD2      LEU  24  -4.213   0.451   3.766
  212   3HD2  LEU  24          3HD2      LEU  24  -5.465  -0.468   2.928
  213    H    ALA  25           H        ALA  25  -4.119  -4.384   7.369
  214    HA   ALA  25           HA       ALA  25  -4.889  -6.152   8.723
  215   1HB   ALA  25          1HB       ALA  25  -6.742  -4.107   9.166
  216   2HB   ALA  25          3HB       ALA  25  -7.726  -5.501   8.721
  217   3HB   ALA  25          2HB       ALA  25  -6.608  -5.610  10.081
  218    H    LEU  26           H        LEU  26  -4.555  -6.665   6.091
  219    HA   LEU  26           HA       LEU  26  -7.005  -7.714   4.883
  220   1HB   LEU  26          2HB       LEU  26  -4.182  -8.362   4.006
  221   2HB   LEU  26          1HB       LEU  26  -5.646  -8.294   3.024
  222    HG   LEU  26           HG       LEU  26  -4.487  -5.879   4.430
  223   1HD1  LEU  26          1HD1      LEU  26  -3.323  -7.198   2.301
  224   2HD1  LEU  26          3HD1      LEU  26  -4.332  -5.993   1.502
  225   3HD1  LEU  26          2HD1      LEU  26  -3.114  -5.487   2.673
  226   1HD2  LEU  26          3HD2      LEU  26  -6.998  -6.379   3.293
  227   2HD2  LEU  26          2HD2      LEU  26  -6.317  -4.795   3.673
  228   3HD2  LEU  26          1HD2      LEU  26  -6.123  -5.473   2.056
  229    HA   PRO  27           HA       PRO  27  -6.816 -11.770   6.519
  230   1HB   PRO  27          2HB       PRO  27  -7.715 -13.245   4.384
  231   2HB   PRO  27          1HB       PRO  27  -8.762 -12.205   5.368
  232   1HG   PRO  27          2HG       PRO  27  -7.710 -11.745   2.620
  233   2HG   PRO  27          1HG       PRO  27  -9.182 -11.112   3.376
  234   1HD   PRO  27          2HD       PRO  27  -6.753  -9.706   3.006
  235   2HD   PRO  27          1HD       PRO  27  -8.111  -9.193   4.030
  236    H    GLU  28           H        GLU  28  -6.255 -14.193   5.409
  237    HA   GLU  28           HA       GLU  28  -3.356 -14.070   5.058
  238   1HB   GLU  28          2HB       GLU  28  -4.350 -15.860   6.401
  239   2HB   GLU  28          1HB       GLU  28  -5.293 -16.403   5.010
  240   1HG   GLU  28          2HG       GLU  28  -3.550 -17.786   4.584
  241   2HG   GLU  28          1HG       GLU  28  -2.722 -16.340   4.003
  242    H    TYR  29           H        TYR  29  -6.085 -15.270   3.079
  243    HA   TYR  29           HA       TYR  29  -4.516 -15.968   0.813
  244   1HB   TYR  29          2HB       TYR  29  -6.639 -15.875  -0.446
  245   2HB   TYR  29          1HB       TYR  29  -6.842 -16.712   1.096
  246    HD1  TYR  29           HD2      TYR  29  -7.058 -13.253  -0.364
  247    HD2  TYR  29           HD1      TYR  29  -8.574 -16.068   2.509
  248    HE1  TYR  29           HE2      TYR  29  -8.830 -11.644   0.278
  249    HE2  TYR  29           HE1      TYR  29 -10.346 -14.454   3.151
  250    HH   TYR  29           HH       TYR  29 -11.368 -12.069   1.437
  251    H    TYR  30           H        TYR  30  -5.224 -12.912   2.077
  252    HA   TYR  30           HA       TYR  30  -5.628 -11.122   0.070
  253   1HB   TYR  30          2HB       TYR  30  -5.122 -10.174   2.169
  254   2HB   TYR  30          1HB       TYR  30  -3.601 -11.056   2.303
  255    HD1  TYR  30           HD1      TYR  30  -5.165  -8.822  -0.284
  256    HD2  TYR  30           HD2      TYR  30  -1.738  -9.673   2.160
  257    HE1  TYR  30           HE1      TYR  30  -3.960  -6.913  -1.309
  258    HE2  TYR  30           HE2      TYR  30  -0.530  -7.766   1.132
  259    HH   TYR  30           HH       TYR  30  -1.529  -6.262  -1.680
  260    H    GLY  31           H        GLY  31  -4.706 -10.615  -1.859
  261   1HA   GLY  31          2HA       GLY  31  -2.338 -12.135  -2.718
  262   2HA   GLY  31          1HA       GLY  31  -3.315 -11.070  -3.738
  263    H    GLU  32           H        GLU  32  -0.321 -11.258  -3.086
  264    HA   GLU  32           HA       GLU  32   0.188  -8.644  -1.841
  265   1HB   GLU  32          2HB       GLU  32   2.474  -9.255  -1.873
  266   2HB   GLU  32          1HB       GLU  32   1.619 -10.769  -1.575
  267   1HG   GLU  32          2HG       GLU  32   1.660 -10.716  -4.311
  268   2HG   GLU  32          1HG       GLU  32   3.195  -9.934  -3.929
  269    H    ASN  33           H        ASN  33  -1.362  -8.253  -4.054
  270    HA   ASN  33           HA       ASN  33   0.529  -6.838  -5.847
  271   1HB   ASN  33          2HB       ASN  33  -1.206  -7.635  -7.721
  272   2HB   ASN  33          1HB       ASN  33   0.210  -8.600  -7.305
  273   1HD2  ASN  33          2HD2      ASN  33  -3.220  -9.842  -5.416
  274   2HD2  ASN  33          1HD2      ASN  33  -2.792  -8.200  -5.376
  275    H    LEU  34           H        LEU  34  -1.025  -5.541  -7.507
  276    HA   LEU  34           HA       LEU  34  -2.650  -3.864  -5.744
  277   1HB   LEU  34          2HB       LEU  34  -3.128  -2.743  -8.126
  278   2HB   LEU  34          1HB       LEU  34  -1.636  -2.450  -7.239
  279    HG   LEU  34           HG       LEU  34  -0.473  -4.145  -8.540
  280   1HD1  LEU  34          3HD1      LEU  34  -3.246  -4.848  -9.295
  281   2HD1  LEU  34          2HD1      LEU  34  -2.079  -4.900 -10.615
  282   3HD1  LEU  34          1HD1      LEU  34  -1.820  -5.877  -9.169
  283   1HD2  LEU  34          1HD2      LEU  34  -0.984  -1.757  -9.439
  284   2HD2  LEU  34          3HD2      LEU  34  -0.346  -2.957 -10.562
  285   3HD2  LEU  34          2HD2      LEU  34  -2.070  -2.583 -10.558
  286    H    ASP  35           H        ASP  35  -3.289  -6.661  -7.476
  287    HA   ASP  35           HA       ASP  35  -6.006  -5.932  -8.292
  288   1HB   ASP  35          2HB       ASP  35  -5.966  -8.677  -8.226
  289   2HB   ASP  35          1HB       ASP  35  -5.600  -7.698  -9.640
  290    H    ALA  36           H        ALA  36  -4.611  -8.142  -5.835
  291    HA   ALA  36           HA       ALA  36  -7.185  -8.459  -4.520
  292   1HB   ALA  36          2HB       ALA  36  -5.233 -10.129  -4.461
  293   2HB   ALA  36          1HB       ALA  36  -4.482  -9.038  -3.297
  294   3HB   ALA  36          3HB       ALA  36  -6.027  -9.805  -2.919
  295    H    LEU  37           H        LEU  37  -4.376  -6.452  -4.177
  296    HA   LEU  37           HA       LEU  37  -5.046  -5.283  -1.631
  297   1HB   LEU  37          2HB       LEU  37  -2.793  -5.072  -2.525
  298   2HB   LEU  37          1HB       LEU  37  -3.408  -4.220  -3.940
  299    HG   LEU  37           HG       LEU  37  -4.429  -2.871  -1.659
  300   1HD1  LEU  37          2HD1      LEU  37  -1.784  -4.036  -1.231
  301   2HD1  LEU  37          1HD1      LEU  37  -1.758  -2.275  -1.127
  302   3HD1  LEU  37          3HD1      LEU  37  -2.838  -3.203  -0.087
  303   1HD2  LEU  37          1HD2      LEU  37  -3.517  -2.211  -4.096
  304   2HD2  LEU  37          3HD2      LEU  37  -3.612  -1.034  -2.787
  305   3HD2  LEU  37          2HD2      LEU  37  -2.075  -1.814  -3.159
  306    H    TRP  38           H        TRP  38  -5.479  -4.118  -4.990
  307    HA   TRP  38           HA       TRP  38  -7.031  -1.819  -4.315
  308   1HB   TRP  38          2HB       TRP  38  -6.200  -2.068  -6.583
  309   2HB   TRP  38          1HB       TRP  38  -6.990  -3.629  -6.736
  310    HD1  TRP  38           HD1      TRP  38  -9.204  -3.665  -7.837
  311    HE1  TRP  38           HE1      TRP  38 -11.011  -1.947  -8.486
  312    HE3  TRP  38           HE3      TRP  38  -7.282   0.540  -5.641
  313    HZ2  TRP  38           HZ2      TRP  38 -11.558   0.830  -8.135
  314    HZ3  TRP  38           HZ3      TRP  38  -8.462   2.697  -5.831
  315    HH2  TRP  38           HH2      TRP  38 -10.601   2.850  -7.070
  316    H    ASP  39           H        ASP  39  -7.835  -5.157  -4.958
  317    HA   ASP  39           HA       ASP  39 -10.657  -4.968  -4.748
  318   1HB   ASP  39          2HB       ASP  39  -8.648  -7.098  -4.600
  319   2HB   ASP  39          1HB       ASP  39 -10.063  -7.409  -3.588
  320    H    ALA  40           H        ALA  40  -8.135  -5.029  -2.334
  321    HA   ALA  40           HA       ALA  40 -10.039  -5.296  -0.110
  322   1HB   ALA  40          3HB       ALA  40  -7.536  -6.016  -0.131
  323   2HB   ALA  40          2HB       ALA  40  -7.209  -4.312   0.196
  324   3HB   ALA  40          1HB       ALA  40  -8.184  -5.257   1.325
  325    H    LEU  41           H        LEU  41  -7.653  -2.727  -0.803
  326    HA   LEU  41           HA       LEU  41  -8.517  -0.653   0.693
  327   1HB   LEU  41          2HB       LEU  41  -7.528  -0.738  -2.114
  328   2HB   LEU  41          1HB       LEU  41  -8.189   0.789  -1.531
  329    HG   LEU  41           HG       LEU  41  -6.274  -0.624   0.262
  330   1HD1  LEU  41          2HD1      LEU  41  -5.309  -0.763  -2.085
  331   2HD1  LEU  41          1HD1      LEU  41  -5.329   1.002  -2.123
  332   3HD1  LEU  41          3HD1      LEU  41  -4.328   0.155  -0.939
  333   1HD2  LEU  41          2HD2      LEU  41  -7.379   1.554   0.817
  334   2HD2  LEU  41          1HD2      LEU  41  -5.616   1.651   0.797
  335   3HD2  LEU  41          3HD2      LEU  41  -6.552   2.279  -0.562
  336    H    THR  42           H        THR  42  -9.822  -1.008  -2.572
  337    HA   THR  42           HA       THR  42 -12.212   0.518  -1.783
  338    HB   THR  42           HB       THR  42 -11.352   0.977  -3.987
  339    HG1  THR  42           HG1      THR  42 -13.468  -0.686  -4.674
  340   1HG2  THR  42          1HG2      THR  42 -11.326  -2.009  -4.175
  341   2HG2  THR  42          3HG2      THR  42 -11.533  -1.067  -5.652
  342   3HG2  THR  42          2HG2      THR  42 -10.091  -0.847  -4.661
  343    H    GLY  43           H        GLY  43 -12.260  -1.643  -0.206
  344   1HA   GLY  43          2HA       GLY  43 -14.690  -2.831  -0.365
  345   2HA   GLY  43          1HA       GLY  43 -13.754  -3.832  -1.478
  346    H    TRP  44           H        TRP  44 -12.370  -2.377   1.459
  347    HA   TRP  44           HA       TRP  44 -12.742  -4.654   3.164
  348   1HB   TRP  44          2HB       TRP  44 -11.286  -5.835   1.607
  349   2HB   TRP  44          1HB       TRP  44 -10.111  -4.519   1.662
  350    HD1  TRP  44           HD1      TRP  44  -9.155  -3.978   4.254
  351    HE1  TRP  44           HE1      TRP  44  -8.447  -5.681   6.054
  352    HE3  TRP  44           HE3      TRP  44 -11.548  -8.137   2.518
  353    HZ2  TRP  44           HZ2      TRP  44  -8.845  -8.447   6.675
  354    HZ3  TRP  44           HZ3      TRP  44 -11.369 -10.292   3.730
  355    HH2  TRP  44           HH2      TRP  44 -10.021 -10.452   5.805
  356    H    VAL  45           H        VAL  45 -10.577  -2.071   2.168
  357    HA   VAL  45           HA       VAL  45  -9.516  -1.559   4.806
  358    HB   VAL  45           HB       VAL  45  -9.506  -0.181   2.142
  359   1HG1  VAL  45          2HG1      VAL  45  -8.626   1.025   4.767
  360   2HG1  VAL  45          1HG1      VAL  45  -8.101   1.619   3.193
  361   3HG1  VAL  45          3HG1      VAL  45  -9.809   1.671   3.628
  362   1HG2  VAL  45          3HG2      VAL  45  -7.916  -2.061   2.918
  363   2HG2  VAL  45          2HG2      VAL  45  -7.181  -0.618   2.219
  364   3HG2  VAL  45          1HG2      VAL  45  -7.196  -0.840   3.969
  365    H    GLU  46           H        GLU  46  -9.935   0.522   5.978
  366    HA   GLU  46           HA       GLU  46 -12.797   1.344   5.694
  367   1HB   GLU  46          2HB       GLU  46 -12.405   0.178   7.808
  368   2HB   GLU  46          1HB       GLU  46 -11.046   1.243   8.172
  369   1HG   GLU  46          2HG       GLU  46 -12.456   2.727   9.101
  370   2HG   GLU  46          1HG       GLU  46 -13.301   2.884   7.561
  371    H    TYR  47           H        TYR  47 -12.972   3.357   4.904
  372    HA   TYR  47           HA       TYR  47 -10.696   5.234   5.200
  373   1HB   TYR  47          2HB       TYR  47 -13.219   5.458   3.530
  374   2HB   TYR  47          1HB       TYR  47 -11.801   6.501   3.417
  375    HD1  TYR  47           HD2      TYR  47  -9.554   4.619   3.631
  376    HD2  TYR  47           HD1      TYR  47 -13.292   4.219   1.540
  377    HE1  TYR  47           HE2      TYR  47  -8.504   3.012   2.055
  378    HE2  TYR  47           HE1      TYR  47 -12.233   2.622  -0.034
  379    HH   TYR  47           HH       TYR  47  -9.195   1.217   0.545
  380    HA   PRO  48           HA       PRO  48 -10.931   7.614   4.507
  381   1HB   PRO  48          2HB       PRO  48  -9.792   9.565   6.075
  382   2HB   PRO  48          1HB       PRO  48 -11.270   9.794   5.120
  383   1HG   PRO  48          2HG       PRO  48 -10.976   9.390   8.068
  384   2HG   PRO  48          1HG       PRO  48 -12.222  10.278   7.173
  385   1HD   PRO  48          2HD       PRO  48 -12.549   7.715   8.262
  386   2HD   PRO  48          1HD       PRO  48 -13.571   8.424   6.990
  387    H    LEU  49           H        LEU  49  -8.966   6.747   4.161
  388    HA   LEU  49           HA       LEU  49  -7.502   5.591   6.487
  389   1HB   LEU  49          2HB       LEU  49  -7.905   3.876   4.945
  390   2HB   LEU  49          1HB       LEU  49  -7.719   4.947   3.560
  391    HG   LEU  49           HG       LEU  49  -5.232   5.116   4.285
  392   1HD1  LEU  49          2HD1      LEU  49  -6.298   3.355   6.295
  393   2HD1  LEU  49          1HD1      LEU  49  -5.105   2.482   5.332
  394   3HD1  LEU  49          3HD1      LEU  49  -4.658   3.981   6.144
  395   1HD2  LEU  49          1HD2      LEU  49  -6.710   3.141   2.763
  396   2HD2  LEU  49          3HD2      LEU  49  -5.150   3.890   2.402
  397   3HD2  LEU  49          2HD2      LEU  49  -5.229   2.452   3.424
  398    H    VAL  50           H        VAL  50  -5.089   5.771   6.388
  399    HA   VAL  50           HA       VAL  50  -4.214   8.258   4.980
  400    HB   VAL  50           HB       VAL  50  -4.159   7.563   7.836
  401   1HG1  VAL  50          2HG1      VAL  50  -1.609   8.425   6.455
  402   2HG1  VAL  50          1HG1      VAL  50  -1.922   8.773   8.156
  403   3HG1  VAL  50          3HG1      VAL  50  -1.833   7.102   7.600
  404   1HG2  VAL  50          1HG2      VAL  50  -4.983   9.660   6.392
  405   2HG2  VAL  50          3HG2      VAL  50  -4.452   9.832   8.065
  406   3HG2  VAL  50          2HG2      VAL  50  -3.347  10.215   6.745
  407    H    LEU  51           H        LEU  51  -3.005   7.363   3.314
  408    HA   LEU  51           HA       LEU  51  -1.247   5.050   3.873
  409   1HB   LEU  51          2HB       LEU  51  -2.535   5.232   1.719
  410   2HB   LEU  51          1HB       LEU  51  -1.556   6.647   1.317
  411    HG   LEU  51           HG       LEU  51   0.482   5.097   1.718
  412   1HD1  LEU  51          1HD1      LEU  51  -1.653   3.311   2.263
  413   2HD1  LEU  51          3HD1      LEU  51  -0.873   2.768   0.771
  414   3HD1  LEU  51          2HD1      LEU  51   0.077   2.961   2.253
  415   1HD2  LEU  51          1HD2      LEU  51  -1.429   4.877  -0.593
  416   2HD2  LEU  51          3HD2      LEU  51   0.066   5.810  -0.498
  417   3HD2  LEU  51          2HD2      LEU  51   0.123   4.049  -0.599
  418    H    GLU  52           H        GLU  52  -0.073   6.587   5.475
  419    HA   GLU  52           HA       GLU  52   1.534   8.741   4.464
  420   1HB   GLU  52          2HB       GLU  52   1.208   8.638   6.826
  421   2HB   GLU  52          1HB       GLU  52   1.755   6.962   6.902
  422   1HG   GLU  52          2HG       GLU  52   3.917   7.588   7.075
  423   2HG   GLU  52          1HG       GLU  52   3.772   8.698   5.711
  424    H    TRP  53           H        TRP  53   2.468   7.844   2.479
  425    HA   TRP  53           HA       TRP  53   4.232   5.526   2.708
  426   1HB   TRP  53          2HB       TRP  53   2.856   6.375   0.618
  427   2HB   TRP  53          1HB       TRP  53   4.308   7.345   0.331
  428    HD1  TRP  53           HD1      TRP  53   6.681   5.699   0.761
  429    HE1  TRP  53           HE1      TRP  53   7.121   3.403  -0.325
  430    HE3  TRP  53           HE3      TRP  53   1.916   4.404  -0.511
  431    HZ2  TRP  53           HZ2      TRP  53   5.636   1.300  -1.559
  432    HZ3  TRP  53           HZ3      TRP  53   1.450   2.251  -1.636
  433    HH2  TRP  53           HH2      TRP  53   3.309   0.691  -2.165
  434    H    ARG  54           H        ARG  54   6.117   5.856   3.821
  435    HA   ARG  54           HA       ARG  54   7.434   8.438   3.934
  436   1HB   ARG  54          2HB       ARG  54   8.556   5.712   4.655
  437   2HB   ARG  54          1HB       ARG  54   9.159   7.278   5.200
  438   1HG   ARG  54          2HG       ARG  54   6.737   7.624   6.108
  439   2HG   ARG  54          1HG       ARG  54   6.615   5.870   5.969
  440   1HD   ARG  54          2HD       ARG  54   8.242   5.489   7.588
  441   2HD   ARG  54          1HD       ARG  54   9.014   7.053   7.323
  442    HE   ARG  54           HE       ARG  54   6.949   8.043   8.459
  443   1HH1  ARG  54          1HH2      ARG  54   8.792   5.495   9.593
  444   2HH1  ARG  54          2HH2      ARG  54   7.699   5.023  10.850
  445   1HH2  ARG  54          2HH1      ARG  54   5.159   7.136   9.797
  446   2HH2  ARG  54          1HH1      ARG  54   5.641   5.952  10.965
  447    H    GLN  55           H        GLN  55  10.168   7.210   3.636
  448    HA   GLN  55           HA       GLN  55  10.907   8.083   1.125
  449   1HB   GLN  55          2HB       GLN  55  11.977   5.865   2.854
  450   2HB   GLN  55          1HB       GLN  55  12.686   6.166   1.266
  451   1HG   GLN  55          2HG       GLN  55  13.807   7.952   2.047
  452   2HG   GLN  55          1HG       GLN  55  12.317   8.666   2.666
  453   1HE2  GLN  55          2HE2      GLN  55  12.817   7.493   5.996
  454   2HE2  GLN  55          1HE2      GLN  55  11.670   8.093   4.898
  455    H    PHE  56           H        PHE  56   9.425   7.602  -0.528
  456    HA   PHE  56           HA       PHE  56   8.544   4.877  -1.046
  457   1HB   PHE  56          2HB       PHE  56   7.214   6.909  -1.669
  458   2HB   PHE  56          1HB       PHE  56   8.439   7.289  -2.882
  459    HD1  PHE  56           HD1      PHE  56   8.801   5.785  -4.823
  460    HD2  PHE  56           HD2      PHE  56   5.648   5.096  -1.989
  461    HE1  PHE  56           HE1      PHE  56   7.715   4.229  -6.410
  462    HE2  PHE  56           HE2      PHE  56   4.561   3.541  -3.576
  463    HZ   PHE  56           HZ       PHE  56   5.593   3.103  -5.789
  464    H    GLU  57           H        GLU  57  11.215   6.889  -2.053
  465    HA   GLU  57           HA       GLU  57  11.997   5.709  -4.466
  466   1HB   GLU  57          2HB       GLU  57  13.128   7.541  -2.834
  467   2HB   GLU  57          1HB       GLU  57  14.165   6.159  -2.480
  468   1HG   GLU  57          2HG       GLU  57  13.723   6.285  -5.315
  469   2HG   GLU  57          1HG       GLU  57  14.266   7.865  -4.750
  470    H    GLN  58           H        GLN  58  13.570   4.759  -1.396
  471    HA   GLN  58           HA       GLN  58  14.461   2.246  -2.404
  472   1HB   GLN  58          2HB       GLN  58  14.731   1.644   0.027
  473   2HB   GLN  58          1HB       GLN  58  15.508   3.158  -0.435
  474   1HG   GLN  58          2HG       GLN  58  13.047   4.077   0.251
  475   2HG   GLN  58          1HG       GLN  58  13.175   2.691   1.334
  476   1HE2  GLN  58          2HE2      GLN  58  15.708   5.878   1.844
  477   2HE2  GLN  58          1HE2      GLN  58  14.851   5.712   0.389
  478    H    SER  59           H        SER  59  13.713   0.090  -1.606
  479    HA   SER  59           HA       SER  59  12.031  -1.476  -1.029
  480   1HB   SER  59          2HB       SER  59  11.113   0.490   0.415
  481   2HB   SER  59          1HB       SER  59   9.993   0.739  -0.924
  482    HG   SER  59           HG       SER  59   8.910  -0.761   0.106
  483    H    LYS  60           H        LYS  60  11.164   1.194  -3.200
  484    HA   LYS  60           HA       LYS  60   9.440  -0.515  -4.838
  485   1HB   LYS  60          2HB       LYS  60   9.066   1.939  -4.486
  486   2HB   LYS  60          1HB       LYS  60  10.523   2.242  -5.437
  487   1HG   LYS  60          2HG       LYS  60   8.971   0.417  -6.939
  488   2HG   LYS  60          1HG       LYS  60   7.854   1.655  -6.367
  489   1HD   LYS  60          2HD       LYS  60   8.657   3.109  -7.881
  490   2HD   LYS  60          1HD       LYS  60  10.278   2.935  -7.207
  491   1HE   LYS  60          2HE       LYS  60   9.498   0.615  -8.799
  492   2HE   LYS  60          1HE       LYS  60   9.470   2.107  -9.738
  493   1HZ   LYS  60          2HZ       LYS  60  11.751   1.553  -7.970
  494   2HZ   LYS  60          1HZ       LYS  60  11.666   0.781  -9.482
  495   3HZ   LYS  60          3HZ       LYS  60  11.693   2.476  -9.396
  496    H    GLN  61           H        GLN  61  12.818   0.338  -4.787
  497    HA   GLN  61           HA       GLN  61  13.257  -0.206  -7.623
  498   1HB   GLN  61          2HB       GLN  61  14.743   1.341  -6.465
  499   2HB   GLN  61          1HB       GLN  61  15.192   0.080  -5.316
  500   1HG   GLN  61          2HG       GLN  61  16.958   0.037  -6.872
  501   2HG   GLN  61          1HG       GLN  61  15.909  -1.271  -7.419
  502   1HE2  GLN  61          2HE2      GLN  61  15.329   0.226 -10.546
  503   2HE2  GLN  61          1HE2      GLN  61  15.248  -1.165  -9.577
  504    H    LEU  62           H        LEU  62  14.656  -1.744  -4.813
  505    HA   LEU  62           HA       LEU  62  15.665  -4.060  -5.758
  506   1HB   LEU  62          2HB       LEU  62  14.034  -4.901  -3.550
  507   2HB   LEU  62          1HB       LEU  62  15.773  -4.621  -3.586
  508    HG   LEU  62           HG       LEU  62  15.355  -2.191  -3.202
  509   1HD1  LEU  62          1HD1      LEU  62  12.807  -2.730  -4.045
  510   2HD1  LEU  62          3HD1      LEU  62  12.585  -2.687  -2.302
  511   3HD1  LEU  62          2HD1      LEU  62  13.258  -1.288  -3.142
  512   1HD2  LEU  62          3HD2      LEU  62  14.314  -4.237  -1.249
  513   2HD2  LEU  62          2HD2      LEU  62  15.863  -3.395  -1.236
  514   3HD2  LEU  62          1HD2      LEU  62  14.382  -2.524  -0.836
  515    H    THR  63           H        THR  63  12.254  -3.362  -5.635
  516    HA   THR  63           HA       THR  63  11.607  -6.089  -6.601
  517    HB   THR  63           HB       THR  63  10.252  -4.902  -4.788
  518    HG1  THR  63           HG1      THR  63   8.567  -6.013  -5.441
  519   1HG2  THR  63          3HG2      THR  63  10.178  -2.902  -6.801
  520   2HG2  THR  63          2HG2      THR  63   8.533  -3.508  -6.608
  521   3HG2  THR  63          1HG2      THR  63   9.407  -2.869  -5.216
  522    H    GLU  64           H        GLU  64   9.191  -4.777  -7.997
  523    HA   GLU  64           HA       GLU  64  10.401  -3.289 -10.200
  524   1HB   GLU  64          2HB       GLU  64   9.687  -5.016 -11.908
  525   2HB   GLU  64          1HB       GLU  64  11.064  -5.496 -10.915
  526   1HG   GLU  64          2HG       GLU  64   9.884  -7.125  -9.823
  527   2HG   GLU  64          1HG       GLU  64   8.384  -6.197  -9.847
  528    H    ASN  65           H        ASN  65   8.705  -1.845  -9.402
  529    HA   ASN  65           HA       ASN  65   6.626  -0.825  -9.880
  530   1HB   ASN  65          2HB       ASN  65   6.784  -2.828 -11.820
  531   2HB   ASN  65          1HB       ASN  65   5.245  -3.126 -11.010
  532   1HD2  ASN  65          2HD2      ASN  65   4.279   0.433 -11.753
  533   2HD2  ASN  65          1HD2      ASN  65   4.560  -0.431 -10.320
  534    H    GLY  66           H        GLY  66   7.264  -3.466  -7.976
  535   1HA   GLY  66          2HA       GLY  66   4.747  -4.371  -7.070
  536   2HA   GLY  66          1HA       GLY  66   6.195  -4.298  -6.060
  537    H    ALA  67           H        ALA  67   6.730  -2.009  -5.259
  538    HA   ALA  67           HA       ALA  67   4.571  -0.987  -3.714
  539   1HB   ALA  67          3HB       ALA  67   7.231   0.203  -4.517
  540   2HB   ALA  67          2HB       ALA  67   6.106   1.046  -3.453
  541   3HB   ALA  67          1HB       ALA  67   6.783  -0.507  -2.965
  542    H    GLU  68           H        GLU  68   5.933   0.166  -6.802
  543    HA   GLU  68           HA       GLU  68   4.365   2.493  -7.054
  544   1HB   GLU  68          2HB       GLU  68   6.037   0.874  -8.765
  545   2HB   GLU  68          1HB       GLU  68   4.600   1.402  -9.641
  546   1HG   GLU  68          2HG       GLU  68   5.063   3.741  -8.763
  547   2HG   GLU  68          1HG       GLU  68   6.622   3.135  -8.205
  548    H    SER  69           H        SER  69   3.485  -0.848  -7.341
  549    HA   SER  69           HA       SER  69   1.012  -0.273  -8.809
  550   1HB   SER  69          2HB       SER  69   1.039  -2.489  -9.238
  551   2HB   SER  69          1HB       SER  69   2.575  -2.567  -8.385
  552    HG   SER  69           HG       SER  69   1.202  -3.974  -7.374
  553    H    VAL  70           H        VAL  70   1.755  -1.453  -5.469
  554    HA   VAL  70           HA       VAL  70  -0.888  -1.407  -4.527
  555    HB   VAL  70           HB       VAL  70   1.719  -0.725  -3.133
  556   1HG1  VAL  70          1HG1      VAL  70  -1.095  -0.657  -1.988
  557   2HG1  VAL  70          3HG1      VAL  70   0.355  -0.761  -0.990
  558   3HG1  VAL  70          2HG1      VAL  70   0.087   0.655  -2.000
  559   1HG2  VAL  70          2HG2      VAL  70   0.983  -3.124  -3.783
  560   2HG2  VAL  70          1HG2      VAL  70   1.487  -2.855  -2.115
  561   3HG2  VAL  70          3HG2      VAL  70  -0.229  -2.951  -2.513
  562    H    LEU  71           H        LEU  71   1.421   1.080  -5.221
  563    HA   LEU  71           HA       LEU  71  -0.111   3.162  -3.999
  564   1HB   LEU  71          2HB       LEU  71   2.428   3.107  -4.614
  565   2HB   LEU  71          1HB       LEU  71   1.873   3.657  -6.197
  566    HG   LEU  71           HG       LEU  71   0.976   5.659  -5.317
  567   1HD1  LEU  71          2HD1      LEU  71   0.977   4.141  -2.742
  568   2HD1  LEU  71          1HD1      LEU  71   1.097   5.903  -2.675
  569   3HD1  LEU  71          3HD1      LEU  71  -0.297   5.142  -3.457
  570   1HD2  LEU  71          1HD2      LEU  71   3.598   5.156  -5.104
  571   2HD2  LEU  71          3HD2      LEU  71   2.900   6.698  -4.610
  572   3HD2  LEU  71          2HD2      LEU  71   3.245   5.460  -3.402
  573    H    GLN  72           H        GLN  72   0.280   2.071  -7.395
  574    HA   GLN  72           HA       GLN  72  -1.403   4.020  -8.554
  575   1HB   GLN  72          2HB       GLN  72  -0.705   1.196  -9.211
  576   2HB   GLN  72          1HB       GLN  72  -2.127   1.871 -10.007
  577   1HG   GLN  72          2HG       GLN  72  -0.626   3.892 -10.574
  578   2HG   GLN  72          1HG       GLN  72   0.727   2.848 -10.134
  579   1HE2  GLN  72          2HE2      GLN  72   0.697   1.236 -13.254
  580   2HE2  GLN  72          1HE2      GLN  72   1.567   1.692 -11.869
  581    H    VAL  73           H        VAL  73  -2.088   1.336  -6.510
  582    HA   VAL  73           HA       VAL  73  -4.990   1.395  -6.949
  583    HB   VAL  73           HB       VAL  73  -3.204  -0.116  -5.038
  584   1HG1  VAL  73          2HG1      VAL  73  -5.631   0.464  -4.230
  585   2HG1  VAL  73          1HG1      VAL  73  -6.114  -0.699  -5.454
  586   3HG1  VAL  73          3HG1      VAL  73  -5.075  -1.201  -4.135
  587   1HG2  VAL  73          2HG2      VAL  73  -3.204  -0.658  -7.484
  588   2HG2  VAL  73          1HG2      VAL  73  -3.774  -1.987  -6.472
  589   3HG2  VAL  73          3HG2      VAL  73  -4.931  -0.994  -7.364
  590    H    PHE  74           H        PHE  74  -2.834   2.214  -4.212
  591    HA   PHE  74           HA       PHE  74  -4.795   3.057  -2.429
  592   1HB   PHE  74          2HB       PHE  74  -1.903   3.544  -2.848
  593   2HB   PHE  74          1HB       PHE  74  -2.751   4.745  -1.891
  594    HD1  PHE  74           HD2      PHE  74  -3.891   4.120   0.210
  595    HD2  PHE  74           HD1      PHE  74  -1.640   1.280  -2.066
  596    HE1  PHE  74           HE2      PHE  74  -3.885   2.559   2.134
  597    HE2  PHE  74           HE1      PHE  74  -1.642  -0.283  -0.151
  598    HZ   PHE  74           HZ       PHE  74  -2.776   0.372   1.950
  599    H    ARG  75           H        ARG  75  -2.849   4.939  -4.706
  600    HA   ARG  75           HA       ARG  75  -4.323   7.365  -4.467
  601   1HB   ARG  75          2HB       ARG  75  -2.475   6.199  -6.532
  602   2HB   ARG  75          1HB       ARG  75  -3.390   7.654  -6.926
  603   1HG   ARG  75          2HG       ARG  75  -2.516   8.679  -4.789
  604   2HG   ARG  75          1HG       ARG  75  -1.458   7.276  -4.624
  605   1HD   ARG  75          2HD       ARG  75  -0.029   8.043  -6.200
  606   2HD   ARG  75          1HD       ARG  75  -1.343   8.464  -7.297
  607    HE   ARG  75           HE       ARG  75  -0.041  10.273  -5.397
  608   1HH1  ARG  75          2HH1      ARG  75  -3.080   9.500  -6.780
  609   2HH1  ARG  75          1HH1      ARG  75  -3.522  11.146  -7.082
  610   1HH2  ARG  75          1HH2      ARG  75  -0.488  12.437  -6.006
  611   2HH2  ARG  75          2HH2      ARG  75  -2.054  12.810  -6.644
  612    H    GLU  76           H        GLU  76  -4.698   4.523  -6.676
  613    HA   GLU  76           HA       GLU  76  -6.803   5.652  -8.260
  614   1HB   GLU  76          2HB       GLU  76  -5.855   2.912  -7.601
  615   2HB   GLU  76          1HB       GLU  76  -7.508   3.047  -8.203
  616   1HG   GLU  76          2HG       GLU  76  -6.833   3.927 -10.254
  617   2HG   GLU  76          1HG       GLU  76  -5.288   4.492  -9.618
  618    H    ALA  77           H        ALA  77  -6.704   4.540  -5.020
  619    HA   ALA  77           HA       ALA  77  -9.586   4.120  -4.741
  620   1HB   ALA  77          2HB       ALA  77  -7.642   3.008  -3.388
  621   2HB   ALA  77          1HB       ALA  77  -7.626   4.516  -2.471
  622   3HB   ALA  77          3HB       ALA  77  -9.079   3.515  -2.504
  623    H    LYS  78           H        LYS  78  -7.262   6.506  -3.380
  624    HA   LYS  78           HA       LYS  78  -9.270   8.257  -2.387
  625   1HB   LYS  78          2HB       LYS  78  -7.491   9.751  -2.003
  626   2HB   LYS  78          1HB       LYS  78  -6.724   8.173  -1.911
  627   1HG   LYS  78          2HG       LYS  78  -6.190   8.447  -4.397
  628   2HG   LYS  78          1HG       LYS  78  -6.659  10.138  -4.209
  629   1HD   LYS  78          2HD       LYS  78  -4.591   8.800  -2.451
  630   2HD   LYS  78          1HD       LYS  78  -4.176   9.672  -3.928
  631   1HE   LYS  78          2HE       LYS  78  -5.683  11.562  -2.823
  632   2HE   LYS  78          1HE       LYS  78  -5.235  10.728  -1.336
  633   1HZ   LYS  78          3HZ       LYS  78  -3.048  11.162  -3.166
  634   2HZ   LYS  78          2HZ       LYS  78  -3.734  12.592  -2.558
  635   3HZ   LYS  78          1HZ       LYS  78  -3.129  11.416  -1.491
  636    H    ALA  79           H        ALA  79  -8.283   7.524  -5.564
  637    HA   ALA  79           HA       ALA  79  -9.097  10.124  -6.710
  638   1HB   ALA  79          3HB       ALA  79  -7.325   8.159  -7.526
  639   2HB   ALA  79          2HB       ALA  79  -8.733   7.857  -8.546
  640   3HB   ALA  79          1HB       ALA  79  -7.955   9.444  -8.556
  641    H    GLU  80           H        GLU  80  -9.902   6.805  -7.610
  642    HA   GLU  80           HA       GLU  80 -12.284   7.253  -8.920
  643   1HB   GLU  80          2HB       GLU  80 -11.769   4.922  -7.055
  644   2HB   GLU  80          1HB       GLU  80 -12.842   4.956  -8.452
  645   1HG   GLU  80          2HG       GLU  80 -10.142   5.800  -9.145
  646   2HG   GLU  80          1HG       GLU  80 -10.181   4.164  -8.484
  647    H    GLY  81           H        GLY  81 -12.140   6.313  -5.434
  648   1HA   GLY  81          2HA       GLY  81 -14.209   8.290  -4.814
  649   2HA   GLY  81          1HA       GLY  81 -14.822   6.635  -4.802
  650    H    ALA  82           H        ALA  82 -12.365   5.453  -3.802
  651    HA   ALA  82           HA       ALA  82 -12.756   5.267  -1.108
  652   1HB   ALA  82          3HB       ALA  82 -10.795   4.409  -2.786
  653   2HB   ALA  82          2HB       ALA  82  -9.899   5.568  -1.801
  654   3HB   ALA  82          1HB       ALA  82 -10.736   4.219  -1.033
  655    H    ASP  83           H        ASP  83 -11.910   6.307   0.776
  656    HA   ASP  83           HA       ASP  83 -11.256   9.192   0.353
  657   1HB   ASP  83          2HB       ASP  83 -12.871   7.715   2.343
  658   2HB   ASP  83          1HB       ASP  83 -11.810   8.946   3.030
  659    H    ILE  84           H        ILE  84  -9.101   7.829  -0.131
  660    HA   ILE  84           HA       ILE  84  -7.629   7.414   2.423
  661    HB   ILE  84           HB       ILE  84  -7.030   6.546  -0.418
  662   1HG1  ILE  84          2HG1      ILE  84  -7.276   4.639   1.825
  663   2HG1  ILE  84          1HG1      ILE  84  -8.768   5.448   1.349
  664   1HG2  ILE  84          2HG2      ILE  84  -5.043   7.152   1.175
  665   2HG2  ILE  84          1HG2      ILE  84  -5.515   5.685   2.036
  666   3HG2  ILE  84          3HG2      ILE  84  -5.016   5.595   0.345
  667   1HD1  ILE  84          1HD1      ILE  84  -6.969   4.267  -0.745
  668   2HD1  ILE  84          3HD1      ILE  84  -8.079   3.228   0.146
  669   3HD1  ILE  84          2HD1      ILE  84  -8.704   4.567  -0.812
  670    H    THR  85           H        THR  85  -5.661   8.464   2.785
  671    HA   THR  85           HA       THR  85  -5.161  10.844   1.058
  672    HB   THR  85           HB       THR  85  -4.492  10.281   3.965
  673    HG1  THR  85           HG1      THR  85  -5.772  12.246   4.148
  674   1HG2  THR  85          1HG2      THR  85  -3.518  12.387   2.058
  675   2HG2  THR  85          3HG2      THR  85  -3.708  12.773   3.768
  676   3HG2  THR  85          2HG2      THR  85  -2.613  11.483   3.273
  677    H    ILE  86           H        ILE  86  -3.767   9.947  -0.468
  678    HA   ILE  86           HA       ILE  86  -1.623   8.156   0.358
  679    HB   ILE  86           HB       ILE  86  -2.771   9.121  -2.175
  680   1HG1  ILE  86          2HG1      ILE  86  -2.494   6.837  -2.797
  681   2HG1  ILE  86          1HG1      ILE  86  -1.238   6.583  -1.589
  682   1HG2  ILE  86          1HG2      ILE  86   0.201   8.556  -1.952
  683   2HG2  ILE  86          3HG2      ILE  86  -0.694   8.535  -3.471
  684   3HG2  ILE  86          2HG2      ILE  86  -0.555  10.033  -2.550
  685   1HD1  ILE  86          2HD1      ILE  86  -3.578   7.506  -0.225
  686   2HD1  ILE  86          1HD1      ILE  86  -4.060   6.208  -1.314
  687   3HD1  ILE  86          3HD1      ILE  86  -2.805   5.921  -0.104
  688    H    ILE  87           H        ILE  87   0.127   8.903   1.354
  689    HA   ILE  87           HA       ILE  87   0.975  11.712   0.921
  690    HB   ILE  87           HB       ILE  87   2.209   9.695   2.808
  691   1HG1  ILE  87          2HG1      ILE  87  -0.306   9.952   3.102
  692   2HG1  ILE  87          1HG1      ILE  87   0.662  10.402   4.506
  693   1HG2  ILE  87          1HG2      ILE  87   2.092  12.723   2.718
  694   2HG2  ILE  87          3HG2      ILE  87   2.769  11.794   4.056
  695   3HG2  ILE  87          2HG2      ILE  87   3.518  11.716   2.461
  696   1HD1  ILE  87          2HD1      ILE  87   0.580  12.786   3.714
  697   2HD1  ILE  87          1HD1      ILE  87  -0.544  12.276   2.455
  698   3HD1  ILE  87          3HD1      ILE  87  -0.998  12.132   4.152
  699    H    LEU  88           H        LEU  88   2.699  12.215  -0.354
  700    HA   LEU  88           HA       LEU  88   4.774  10.164  -0.871
  701   1HB   LEU  88          2HB       LEU  88   3.007  11.418  -2.978
  702   2HB   LEU  88          1HB       LEU  88   4.605  10.779  -3.368
  703    HG   LEU  88           HG       LEU  88   2.608   9.108  -1.852
  704   1HD1  LEU  88          2HD1      LEU  88   1.500   9.872  -3.928
  705   2HD1  LEU  88          1HD1      LEU  88   2.888   9.320  -4.866
  706   3HD1  LEU  88          3HD1      LEU  88   1.885   8.151  -4.006
  707   1HD2  LEU  88          3HD2      LEU  88   4.994   8.541  -3.639
  708   2HD2  LEU  88          2HD2      LEU  88   4.895   8.293  -1.896
  709   3HD2  LEU  88          1HD2      LEU  88   3.934   7.291  -2.985
  710    H    SER  89           HN       SER  89   6.590  11.263  -0.304
  711    HA   SER  89           HA       SER  89   7.117  13.871  -1.588
  712   1HB   SER  89          2HB       SER  89   6.223  14.785   0.373
  713   2HB   SER  89          1HB       SER  89   6.801  13.452   1.374
  714    HG   SER  89           HG       SER  89   7.967  15.775   0.921
   
  No H/Q in entry =         714
  Start of MODEL   13
    1   1H    LYS   1          3H        LYS   1  -8.084   4.159   7.443
    2   2H    LYS   1          2H        LYS   1  -9.133   3.690   8.693
    3   3H    LYS   1          1H        LYS   1  -8.564   5.288   8.614
    4    HA   LYS   1           HA       LYS   1  -7.348   4.179  10.317
    5   1HB   LYS   1          2HB       LYS   1  -7.652   1.969   8.533
    6   2HB   LYS   1          1HB       LYS   1  -5.925   2.227   8.786
    7   1HG   LYS   1          2HG       LYS   1  -6.285   0.990  10.672
    8   2HG   LYS   1          1HG       LYS   1  -6.836   2.533  11.328
    9   1HD   LYS   1          2HD       LYS   1  -8.961   1.247   9.834
   10   2HD   LYS   1          1HD       LYS   1  -8.345   0.172  11.090
   11   1HE   LYS   1          2HE       LYS   1  -9.382   1.376  12.680
   12   2HE   LYS   1          1HE       LYS   1  -8.554   2.839  12.150
   13   1HZ   LYS   1          2HZ       LYS   1 -10.325   2.679  10.237
   14   2HZ   LYS   1          1HZ       LYS   1 -11.201   1.832  11.421
   15   3HZ   LYS   1          3HZ       LYS   1 -10.692   3.422  11.720
   16    H    LYS   2           H        LYS   2  -4.717   3.634  10.005
   17    HA   LYS   2           HA       LYS   2  -3.765   5.682   8.053
   18   1HB   LYS   2          2HB       LYS   2  -3.316   6.915   9.914
   19   2HB   LYS   2          1HB       LYS   2  -3.394   5.519  10.982
   20   1HG   LYS   2          2HG       LYS   2  -1.123   6.573  10.870
   21   2HG   LYS   2          1HG       LYS   2  -1.122   4.879  10.388
   22   1HD   LYS   2          2HD       LYS   2  -0.210   5.479   8.422
   23   2HD   LYS   2          1HD       LYS   2  -1.677   6.385   8.054
   24   1HE   LYS   2          2HE       LYS   2   0.822   7.386   9.427
   25   2HE   LYS   2          1HE       LYS   2   0.108   7.968   7.924
   26   1HZ   LYS   2          2HZ       LYS   2  -1.931   8.309   9.573
   27   2HZ   LYS   2          1HZ       LYS   2  -0.655   8.511  10.677
   28   3HZ   LYS   2          3HZ       LYS   2  -0.754   9.505   9.307
   29    H    ALA   3           H        ALA   3  -2.824   4.417   6.522
   30    HA   ALA   3           HA       ALA   3  -1.227   2.064   7.299
   31   1HB   ALA   3          2HB       ALA   3  -2.512   3.056   4.857
   32   2HB   ALA   3          1HB       ALA   3  -0.877   2.462   4.569
   33   3HB   ALA   3          3HB       ALA   3  -2.083   1.404   5.301
   34    H    VAL   4           H        VAL   4   1.025   2.054   7.255
   35    HA   VAL   4           HA       VAL   4   2.323   4.574   6.324
   36    HB   VAL   4           HB       VAL   4   2.775   3.071   8.910
   37   1HG1  VAL   4          3HG1      VAL   4   4.602   4.808   7.321
   38   2HG1  VAL   4          2HG1      VAL   4   4.553   5.080   9.062
   39   3HG1  VAL   4          1HG1      VAL   4   4.986   3.492   8.431
   40   1HG2  VAL   4          3HG2      VAL   4   1.639   5.681   8.074
   41   2HG2  VAL   4          2HG2      VAL   4   1.256   4.686   9.479
   42   3HG2  VAL   4          1HG2      VAL   4   2.683   5.723   9.495
   43    H    ILE   5           H        ILE   5   3.620   4.047   4.690
   44    HA   ILE   5           HA       ILE   5   4.817   1.350   4.522
   45    HB   ILE   5           HB       ILE   5   5.232   3.584   2.544
   46   1HG1  ILE   5          2HG1      ILE   5   2.714   3.128   3.296
   47   2HG1  ILE   5          1HG1      ILE   5   3.120   3.376   1.613
   48   1HG2  ILE   5          2HG2      ILE   5   5.619   0.681   2.674
   49   2HG2  ILE   5          1HG2      ILE   5   4.810   1.208   1.201
   50   3HG2  ILE   5          3HG2      ILE   5   6.385   1.875   1.626
   51   1HD1  ILE   5          3HD1      ILE   5   3.310   0.871   1.373
   52   2HD1  ILE   5          2HD1      ILE   5   2.662   0.735   3.008
   53   3HD1  ILE   5          1HD1      ILE   5   1.686   1.457   1.726
   54    H    ASN   6           H        ASN   6   7.005   1.034   4.949
   55    HA   ASN   6           HA       ASN   6   8.585   3.515   5.459
   56   1HB   ASN   6          2HB       ASN   6   9.239   0.948   6.859
   57   2HB   ASN   6          1HB       ASN   6   9.491   2.611   7.397
   58   1HD2  ASN   6          2HD2      ASN   6   6.558   1.121   9.247
   59   2HD2  ASN   6          1HD2      ASN   6   8.176   0.644   9.056
   60    H    GLY   7           H        GLY   7  10.127   3.694   3.926
   61   1HA   GLY   7          2HA       GLY   7  10.987   1.357   2.403
   62   2HA   GLY   7          1HA       GLY   7  11.568   3.013   2.177
   63    H    GLU   8           H        GLU   8  11.743   2.411   5.425
   64    HA   GLU   8           HA       GLU   8  14.608   1.714   5.198
   65   1HB   GLU   8          2HB       GLU   8  14.049   2.450   7.851
   66   2HB   GLU   8          1HB       GLU   8  14.895   3.413   6.644
   67   1HG   GLU   8          2HG       GLU   8  12.628   4.176   5.826
   68   2HG   GLU   8          1HG       GLU   8  11.939   3.407   7.257
   69    H    GLN   9           H        GLN   9  11.584   0.727   6.536
   70    HA   GLN   9           HA       GLN   9  12.886  -1.497   8.012
   71   1HB   GLN   9          2HB       GLN   9  11.057   0.000   9.055
   72   2HB   GLN   9          1HB       GLN   9   9.936  -0.868   8.005
   73   1HG   GLN   9          2HG       GLN   9  10.589  -2.998   8.994
   74   2HG   GLN   9          1HG       GLN   9  11.819  -2.199   9.974
   75   1HE2  GLN   9          2HE2      GLN   9   9.536  -1.205  12.471
   76   2HE2  GLN   9          1HE2      GLN   9  11.151  -1.262  11.953
   77    H    ILE  10           H        ILE  10  11.111  -0.768   5.188
   78    HA   ILE  10           HA       ILE  10  10.200  -3.520   4.726
   79    HB   ILE  10           HB       ILE  10  10.256  -1.102   2.896
   80   1HG1  ILE  10          2HG1      ILE  10   8.784  -1.019   4.978
   81   2HG1  ILE  10          1HG1      ILE  10   7.934  -0.834   3.445
   82   1HG2  ILE  10          1HG2      ILE  10   9.822  -3.886   2.358
   83   2HG2  ILE  10          3HG2      ILE  10   8.298  -3.022   2.145
   84   3HG2  ILE  10          2HG2      ILE  10   9.729  -2.525   1.240
   85   1HD1  ILE  10          3HD1      ILE  10   7.585  -3.396   3.556
   86   2HD1  ILE  10          2HD1      ILE  10   8.048  -3.249   5.250
   87   3HD1  ILE  10          1HD1      ILE  10   6.630  -2.397   4.647
   88    H    ARG  11           H        ARG  11  12.031  -4.813   4.594
   89    HA   ARG  11           HA       ARG  11  14.467  -4.117   3.260
   90   1HB   ARG  11          2HB       ARG  11  13.702  -6.974   3.089
   91   2HB   ARG  11          1HB       ARG  11  15.161  -6.238   3.757
   92   1HG   ARG  11          2HG       ARG  11  13.705  -5.471   5.713
   93   2HG   ARG  11          1HG       ARG  11  12.469  -6.561   5.081
   94   1HD   ARG  11          2HD       ARG  11  15.107  -7.824   5.249
   95   2HD   ARG  11          1HD       ARG  11  14.514  -7.279   6.818
   96    HE   ARG  11           HE       ARG  11  13.156  -9.268   5.067
   97   1HH1  ARG  11          1HH2      ARG  11  12.739  -7.123   7.671
   98   2HH1  ARG  11          2HH2      ARG  11  11.947  -8.274   8.695
   99   1HH2  ARG  11          2HH1      ARG  11  12.436 -10.936   6.527
  100   2HH2  ARG  11          1HH1      ARG  11  11.776 -10.433   8.047
  101    H    SER  12           H        SER  12  11.605  -5.887   2.160
  102    HA   SER  12           HA       SER  12  12.143  -4.986  -0.605
  103   1HB   SER  12          2HB       SER  12  12.794  -7.628   0.290
  104   2HB   SER  12          1HB       SER  12  11.408  -7.740  -0.789
  105    HG   SER  12           HG       SER  12  12.879  -7.557  -2.285
  106    H    ILE  13           H        ILE  13  10.188  -5.912  -2.024
  107    HA   ILE  13           HA       ILE  13   7.797  -4.840  -1.005
  108    HB   ILE  13           HB       ILE  13   8.269  -5.486  -3.414
  109   1HG1  ILE  13          2HG1      ILE  13   5.824  -6.349  -3.719
  110   2HG1  ILE  13          1HG1      ILE  13   5.711  -6.125  -1.973
  111   1HG2  ILE  13          1HG2      ILE  13   7.545  -8.200  -2.281
  112   2HG2  ILE  13          3HG2      ILE  13   7.525  -7.825  -4.006
  113   3HG2  ILE  13          2HG2      ILE  13   9.040  -7.755  -3.105
  114   1HD1  ILE  13          3HD1      ILE  13   6.700  -3.949  -3.820
  115   2HD1  ILE  13          2HD1      ILE  13   4.998  -4.131  -3.391
  116   3HD1  ILE  13          1HD1      ILE  13   6.191  -3.798  -2.138
  117    H    SER  14           H        SER  14   9.304  -7.881  -0.325
  118    HA   SER  14           HA       SER  14   7.070  -9.435   0.471
  119   1HB   SER  14          2HB       SER  14   9.564 -10.106   0.360
  120   2HB   SER  14          1HB       SER  14   9.691  -9.417   1.976
  121    HG   SER  14           HG       SER  14   8.316 -10.928   2.735
  122    H    ASP  15           H        ASP  15   9.041  -7.133   2.373
  123    HA   ASP  15           HA       ASP  15   7.372  -7.388   4.724
  124   1HB   ASP  15          2HB       ASP  15   9.764  -5.915   3.905
  125   2HB   ASP  15          1HB       ASP  15   8.698  -4.957   4.925
  126    H    LEU  16           H        LEU  16   7.289  -5.566   1.820
  127    HA   LEU  16           HA       LEU  16   5.655  -3.364   2.618
  128   1HB   LEU  16          2HB       LEU  16   6.841  -3.686   0.384
  129   2HB   LEU  16          1HB       LEU  16   5.551  -4.799  -0.050
  130    HG   LEU  16           HG       LEU  16   4.165  -3.096  -0.590
  131   1HD1  LEU  16          1HD1      LEU  16   5.012  -1.765   1.999
  132   2HD1  LEU  16          3HD1      LEU  16   3.806  -1.100   0.896
  133   3HD1  LEU  16          2HD1      LEU  16   3.514  -2.643   1.696
  134   1HD2  LEU  16          1HD2      LEU  16   6.600  -2.266  -1.176
  135   2HD2  LEU  16          3HD2      LEU  16   5.217  -1.188  -1.371
  136   3HD2  LEU  16          2HD2      LEU  16   6.249  -1.053   0.054
  137    H    HIS  17           H        HIS  17   4.810  -6.578   1.296
  138    HA   HIS  17           HA       HIS  17   2.010  -6.341   1.354
  139   1HB   HIS  17          2HB       HIS  17   3.609  -8.792   2.096
  140   2HB   HIS  17          1HB       HIS  17   1.985  -8.765   1.407
  141    HD1  HIS  17           HD1      HIS  17   3.399 -10.392  -0.344
  142    HD2  HIS  17           HD2      HIS  17   4.151  -6.292  -0.548
  143    HE1  HIS  17           HE1      HIS  17   4.500  -9.976  -2.581
  144    H    GLN  18           H        GLN  18   4.295  -6.849   3.927
  145    HA   GLN  18           HA       GLN  18   2.263  -7.601   5.877
  146   1HB   GLN  18          2HB       GLN  18   5.074  -6.669   6.468
  147   2HB   GLN  18          1HB       GLN  18   4.046  -7.693   7.472
  148   1HG   GLN  18          2HG       GLN  18   4.046  -9.286   5.394
  149   2HG   GLN  18          1HG       GLN  18   5.490  -8.386   4.926
  150   1HE2  GLN  18          2HE2      GLN  18   5.716 -11.112   7.908
  151   2HE2  GLN  18          1HE2      GLN  18   4.281 -10.863   7.034
  152    H    THR  19           H        THR  19   3.854  -4.685   4.865
  153    HA   THR  19           HA       THR  19   2.969  -3.110   7.134
  154    HB   THR  19           HB       THR  19   4.060  -2.395   4.413
  155    HG1  THR  19           HG1      THR  19   5.365  -3.218   6.225
  156   1HG2  THR  19          3HG2      THR  19   2.843  -0.644   6.519
  157   2HG2  THR  19          2HG2      THR  19   4.228  -0.050   5.603
  158   3HG2  THR  19          1HG2      THR  19   2.747  -0.510   4.763
  159    H    LEU  20           H        LEU  20   1.738  -3.740   3.931
  160    HA   LEU  20           HA       LEU  20  -0.551  -1.937   4.262
  161   1HB   LEU  20          2HB       LEU  20  -0.452  -4.134   2.215
  162   2HB   LEU  20          1HB       LEU  20  -1.134  -2.509   2.067
  163    HG   LEU  20           HG       LEU  20   1.788  -3.222   2.220
  164   1HD1  LEU  20          1HD1      LEU  20  -0.064  -2.993   0.039
  165   2HD1  LEU  20          3HD1      LEU  20   1.133  -1.704  -0.082
  166   3HD1  LEU  20          2HD1      LEU  20   1.654  -3.388  -0.018
  167   1HD2  LEU  20          1HD2      LEU  20   0.838  -0.993   3.285
  168   2HD2  LEU  20          3HD2      LEU  20   2.304  -0.957   2.306
  169   3HD2  LEU  20          2HD2      LEU  20   0.760  -0.480   1.600
  170    H    LYS  21           H        LYS  21   0.230  -5.328   4.518
  171    HA   LYS  21           HA       LYS  21  -2.506  -6.200   4.998
  172   1HB   LYS  21          2HB       LYS  21  -0.901  -7.823   4.191
  173   2HB   LYS  21          1HB       LYS  21   0.181  -7.493   5.549
  174   1HG   LYS  21          2HG       LYS  21  -0.957  -8.898   6.903
  175   2HG   LYS  21          1HG       LYS  21  -2.506  -8.190   6.443
  176   1HD   LYS  21          2HD       LYS  21  -2.945  -9.870   5.004
  177   2HD   LYS  21          1HD       LYS  21  -1.346  -9.742   4.267
  178   1HE   LYS  21          2HE       LYS  21  -1.529 -10.947   6.995
  179   2HE   LYS  21          1HE       LYS  21  -2.072 -11.919   5.628
  180   1HZ   LYS  21          3HZ       LYS  21   0.079 -11.438   4.549
  181   2HZ   LYS  21          2HZ       LYS  21   0.593 -10.656   5.967
  182   3HZ   LYS  21          1HZ       LYS  21   0.242 -12.319   5.989
  183    H    LYS  22           H        LYS  22   0.017  -4.754   6.862
  184    HA   LYS  22           HA       LYS  22  -1.102  -5.589   9.449
  185   1HB   LYS  22          2HB       LYS  22   1.227  -5.315   9.561
  186   2HB   LYS  22          1HB       LYS  22   1.201  -3.864   8.562
  187   1HG   LYS  22          2HG       LYS  22   0.225  -2.565  10.352
  188   2HG   LYS  22          1HG       LYS  22   0.005  -4.009  11.342
  189   1HD   LYS  22          2HD       LYS  22   2.449  -4.330  11.432
  190   2HD   LYS  22          1HD       LYS  22   2.675  -2.890  10.438
  191   1HE   LYS  22          2HE       LYS  22   1.044  -1.950  12.447
  192   2HE   LYS  22          1HE       LYS  22   2.063  -3.105  13.307
  193   1HZ   LYS  22          1HZ       LYS  22   3.246  -1.160  11.433
  194   2HZ   LYS  22          3HZ       LYS  22   2.886  -0.706  13.027
  195   3HZ   LYS  22          2HZ       LYS  22   3.979  -1.973  12.733
  196    H    GLU  23           H        GLU  23  -0.901  -2.581   7.518
  197    HA   GLU  23           HA       GLU  23  -2.515  -1.112   9.455
  198   1HB   GLU  23          2HB       GLU  23  -1.847  -0.355   6.605
  199   2HB   GLU  23          1HB       GLU  23  -2.385   0.728   7.889
  200   1HG   GLU  23          2HG       GLU  23   0.022  -0.904   8.489
  201   2HG   GLU  23          1HG       GLU  23   0.226   0.361   7.276
  202    H    LEU  24           H        LEU  24  -3.026  -2.174   6.137
  203    HA   LEU  24           HA       LEU  24  -5.825  -1.550   6.076
  204   1HB   LEU  24          2HB       LEU  24  -4.506  -3.733   4.451
  205   2HB   LEU  24          1HB       LEU  24  -5.890  -2.736   4.008
  206    HG   LEU  24           HG       LEU  24  -3.209  -1.476   4.560
  207   1HD1  LEU  24          1HD1      LEU  24  -4.185  -2.739   1.994
  208   2HD1  LEU  24          3HD1      LEU  24  -2.871  -1.565   2.062
  209   3HD1  LEU  24          2HD1      LEU  24  -2.708  -3.115   2.883
  210   1HD2  LEU  24          1HD2      LEU  24  -5.639  -0.377   4.181
  211   2HD2  LEU  24          3HD2      LEU  24  -4.151   0.399   3.648
  212   3HD2  LEU  24          2HD2      LEU  24  -5.125  -0.519   2.500
  213    H    ALA  25           H        ALA  25  -3.976  -4.306   7.193
  214    HA   ALA  25           HA       ALA  25  -4.680  -6.085   8.571
  215   1HB   ALA  25          3HB       ALA  25  -6.649  -4.130   8.940
  216   2HB   ALA  25          2HB       ALA  25  -7.546  -5.589   8.516
  217   3HB   ALA  25          1HB       ALA  25  -6.443  -5.601   9.892
  218    H    LEU  26           H        LEU  26  -4.269  -6.651   5.970
  219    HA   LEU  26           HA       LEU  26  -6.673  -7.897   4.812
  220   1HB   LEU  26          2HB       LEU  26  -3.864  -8.231   3.763
  221   2HB   LEU  26          1HB       LEU  26  -5.387  -8.229   2.868
  222    HG   LEU  26           HG       LEU  26  -4.216  -5.823   4.293
  223   1HD1  LEU  26          2HD1      LEU  26  -3.381  -6.930   1.905
  224   2HD1  LEU  26          1HD1      LEU  26  -4.570  -5.740   1.379
  225   3HD1  LEU  26          3HD1      LEU  26  -3.192  -5.237   2.358
  226   1HD2  LEU  26          1HD2      LEU  26  -6.851  -6.458   3.280
  227   2HD2  LEU  26          3HD2      LEU  26  -6.312  -5.005   4.120
  228   3HD2  LEU  26          2HD2      LEU  26  -6.161  -5.116   2.367
  229    HA   PRO  27           HA       PRO  27  -5.931 -11.938   6.330
  230   1HB   PRO  27          2HB       PRO  27  -6.836 -13.437   4.214
  231   2HB   PRO  27          1HB       PRO  27  -7.906 -12.548   5.315
  232   1HG   PRO  27          2HG       PRO  27  -7.125 -11.886   2.515
  233   2HG   PRO  27          1HG       PRO  27  -8.597 -11.454   3.398
  234   1HD   PRO  27          2HD       PRO  27  -6.394  -9.751   2.916
  235   2HD   PRO  27          1HD       PRO  27  -7.707  -9.453   4.075
  236    H    GLU  28           H        GLU  28  -5.223 -14.253   5.054
  237    HA   GLU  28           HA       GLU  28  -2.384 -13.819   4.517
  238   1HB   GLU  28          2HB       GLU  28  -3.086 -15.762   5.821
  239   2HB   GLU  28          1HB       GLU  28  -4.080 -16.331   4.479
  240   1HG   GLU  28          2HG       GLU  28  -2.127 -17.582   4.188
  241   2HG   GLU  28          1HG       GLU  28  -1.836 -16.207   3.123
  242    H    TYR  29           H        TYR  29  -5.071 -15.293   2.654
  243    HA   TYR  29           HA       TYR  29  -3.625 -15.692   0.261
  244   1HB   TYR  29          2HB       TYR  29  -5.820 -15.724  -0.863
  245   2HB   TYR  29          1HB       TYR  29  -5.866 -16.636   0.649
  246    HD1  TYR  29           HD2      TYR  29  -6.453 -13.171  -0.667
  247    HD2  TYR  29           HD1      TYR  29  -7.533 -16.171   2.212
  248    HE1  TYR  29           HE2      TYR  29  -8.299 -11.727   0.143
  249    HE2  TYR  29           HE1      TYR  29  -9.378 -14.725   3.025
  250    HH   TYR  29           HH       TYR  29 -10.581 -12.169   1.354
  251    H    TYR  30           H        TYR  30  -4.597 -12.778   1.717
  252    HA   TYR  30           HA       TYR  30  -5.180 -10.957  -0.240
  253   1HB   TYR  30          2HB       TYR  30  -4.866 -10.060   1.914
  254   2HB   TYR  30          1HB       TYR  30  -3.269 -10.784   2.086
  255    HD1  TYR  30           HD1      TYR  30  -5.050  -8.438  -0.254
  256    HD2  TYR  30           HD2      TYR  30  -1.452  -9.356   1.903
  257    HE1  TYR  30           HE1      TYR  30  -4.011  -6.351  -1.099
  258    HE2  TYR  30           HE2      TYR  30  -0.412  -7.270   1.057
  259    HH   TYR  30           HH       TYR  30  -0.969  -5.748  -1.260
  260    H    GLY  31           H        GLY  31  -4.083  -9.906  -1.918
  261   1HA   GLY  31          2HA       GLY  31  -1.468 -11.141  -2.674
  262   2HA   GLY  31          1HA       GLY  31  -2.631 -10.489  -3.833
  263    H    GLU  32           H        GLU  32   0.192  -9.766  -3.439
  264    HA   GLU  32           HA       GLU  32   0.064  -7.040  -2.312
  265   1HB   GLU  32          2HB       GLU  32   2.450  -7.028  -2.520
  266   2HB   GLU  32          1HB       GLU  32   2.011  -8.638  -1.947
  267   1HG   GLU  32          2HG       GLU  32   2.223  -8.171  -4.909
  268   2HG   GLU  32          1HG       GLU  32   3.698  -8.361  -3.965
  269    H    ASN  33           H        ASN  33  -1.213  -8.049  -4.954
  270    HA   ASN  33           HA       ASN  33   0.129  -6.113  -6.775
  271   1HB   ASN  33          2HB       ASN  33  -1.778  -7.435  -8.289
  272   2HB   ASN  33          1HB       ASN  33  -0.058  -7.800  -8.256
  273   1HD2  ASN  33          2HD2      ASN  33  -2.540 -10.147  -5.948
  274   2HD2  ASN  33          1HD2      ASN  33  -2.950  -8.520  -6.202
  275    H    LEU  34           H        LEU  34  -1.387  -4.896  -8.235
  276    HA   LEU  34           HA       LEU  34  -3.183  -3.344  -6.650
  277   1HB   LEU  34          2HB       LEU  34  -3.988  -2.594  -9.051
  278   2HB   LEU  34          1HB       LEU  34  -2.381  -2.151  -8.477
  279    HG   LEU  34           HG       LEU  34  -2.535  -4.783  -9.805
  280   1HD1  LEU  34          3HD1      LEU  34  -3.837  -2.564 -11.017
  281   2HD1  LEU  34          2HD1      LEU  34  -2.305  -2.787 -11.863
  282   3HD1  LEU  34          1HD1      LEU  34  -3.454  -4.120 -11.752
  283   1HD2  LEU  34          2HD2      LEU  34  -0.652  -2.718  -9.171
  284   2HD2  LEU  34          1HD2      LEU  34  -0.331  -4.319  -9.840
  285   3HD2  LEU  34          3HD2      LEU  34  -0.644  -2.959 -10.921
  286    H    ASP  35           H        ASP  35  -3.666  -6.416  -7.986
  287    HA   ASP  35           HA       ASP  35  -6.519  -6.047  -8.535
  288   1HB   ASP  35          2HB       ASP  35  -6.154  -8.757  -8.232
  289   2HB   ASP  35          1HB       ASP  35  -6.082  -7.888  -9.759
  290    H    ALA  36           H        ALA  36  -4.694  -7.965  -6.120
  291    HA   ALA  36           HA       ALA  36  -7.043  -8.424  -4.508
  292   1HB   ALA  36          3HB       ALA  36  -4.862  -9.814  -4.598
  293   2HB   ALA  36          2HB       ALA  36  -4.211  -8.602  -3.495
  294   3HB   ALA  36          1HB       ALA  36  -5.607  -9.570  -3.017
  295    H    LEU  37           H        LEU  37  -4.373  -6.167  -4.392
  296    HA   LEU  37           HA       LEU  37  -5.038  -4.946  -1.881
  297   1HB   LEU  37          2HB       LEU  37  -2.862  -4.629  -3.063
  298   2HB   LEU  37          1HB       LEU  37  -3.706  -3.671  -4.278
  299    HG   LEU  37           HG       LEU  37  -4.534  -2.610  -1.816
  300   1HD1  LEU  37          3HD1      LEU  37  -1.552  -3.166  -1.881
  301   2HD1  LEU  37          2HD1      LEU  37  -2.318  -2.006  -0.796
  302   3HD1  LEU  37          1HD1      LEU  37  -2.705  -3.722  -0.667
  303   1HD2  LEU  37          1HD2      LEU  37  -2.769  -1.796  -4.086
  304   2HD2  LEU  37          3HD2      LEU  37  -4.273  -1.079  -3.520
  305   3HD2  LEU  37          2HD2      LEU  37  -2.776  -0.781  -2.644
  306    H    TRP  38           H        TRP  38  -5.665  -3.855  -5.227
  307    HA   TRP  38           HA       TRP  38  -7.384  -1.702  -4.577
  308   1HB   TRP  38          2HB       TRP  38  -6.550  -2.105  -6.856
  309   2HB   TRP  38          1HB       TRP  38  -7.421  -3.623  -6.908
  310    HD1  TRP  38           HD1      TRP  38  -9.456  -3.537  -8.219
  311    HE1  TRP  38           HE1      TRP  38 -11.265  -1.803  -8.830
  312    HE3  TRP  38           HE3      TRP  38  -7.713   0.506  -5.635
  313    HZ2  TRP  38           HZ2      TRP  38 -11.868   0.938  -8.312
  314    HZ3  TRP  38           HZ3      TRP  38  -8.894   2.666  -5.744
  315    HH2  TRP  38           HH2      TRP  38 -10.979   2.890  -7.067
  316    H    ASP  39           H        ASP  39  -7.990  -5.120  -5.045
  317    HA   ASP  39           HA       ASP  39 -10.812  -5.076  -4.732
  318   1HB   ASP  39          2HB       ASP  39  -8.684  -7.091  -4.626
  319   2HB   ASP  39          1HB       ASP  39 -10.039  -7.456  -3.553
  320    H    ALA  40           H        ALA  40  -8.200  -4.973  -2.412
  321    HA   ALA  40           HA       ALA  40 -10.011  -5.290  -0.120
  322   1HB   ALA  40          3HB       ALA  40  -7.537  -5.972  -0.162
  323   2HB   ALA  40          2HB       ALA  40  -7.179  -4.251   0.001
  324   3HB   ALA  40          1HB       ALA  40  -8.095  -5.085   1.258
  325    H    LEU  41           H        LEU  41  -7.736  -2.643  -0.891
  326    HA   LEU  41           HA       LEU  41  -8.654  -0.629   0.657
  327   1HB   LEU  41          2HB       LEU  41  -7.710  -0.603  -2.170
  328   2HB   LEU  41          1HB       LEU  41  -8.337   0.894  -1.476
  329    HG   LEU  41           HG       LEU  41  -6.370  -0.695   0.120
  330   1HD1  LEU  41          1HD1      LEU  41  -5.390  -0.578  -2.151
  331   2HD1  LEU  41          3HD1      LEU  41  -5.619   1.173  -2.155
  332   3HD1  LEU  41          2HD1      LEU  41  -4.494   0.429  -1.008
  333   1HD2  LEU  41          1HD2      LEU  41  -7.666   1.574   0.657
  334   2HD2  LEU  41          3HD2      LEU  41  -6.018   1.291   1.213
  335   3HD2  LEU  41          2HD2      LEU  41  -6.307   2.264  -0.231
  336    H    THR  42           H        THR  42 -10.014  -1.041  -2.584
  337    HA   THR  42           HA       THR  42 -12.393   0.478  -1.749
  338    HB   THR  42           HB       THR  42 -11.499   0.857  -4.001
  339    HG1  THR  42           HG1      THR  42 -13.850  -0.588  -4.451
  340   1HG2  THR  42          3HG2      THR  42 -11.644  -2.097  -4.066
  341   2HG2  THR  42          2HG2      THR  42 -12.129  -1.279  -5.551
  342   3HG2  THR  42          1HG2      THR  42 -10.522  -1.006  -4.878
  343    H    GLY  43           H        GLY  43 -12.337  -1.687  -0.155
  344   1HA   GLY  43          2HA       GLY  43 -14.765  -2.886  -0.197
  345   2HA   GLY  43          1HA       GLY  43 -13.887  -3.878  -1.363
  346    H    TRP  44           H        TRP  44 -12.387  -2.433   1.532
  347    HA   TRP  44           HA       TRP  44 -12.652  -4.773   3.190
  348   1HB   TRP  44          2HB       TRP  44 -11.195  -5.846   1.561
  349   2HB   TRP  44          1HB       TRP  44 -10.066  -4.492   1.636
  350    HD1  TRP  44           HD1      TRP  44  -9.047  -4.010   4.207
  351    HE1  TRP  44           HE1      TRP  44  -8.242  -5.747   5.933
  352    HE3  TRP  44           HE3      TRP  44 -11.390  -8.180   2.422
  353    HZ2  TRP  44           HZ2      TRP  44  -8.551  -8.538   6.483
  354    HZ3  TRP  44           HZ3      TRP  44 -11.118 -10.362   3.563
  355    HH2  TRP  44           HH2      TRP  44  -9.702 -10.547   5.590
  356    H    VAL  45           H        VAL  45 -10.565  -2.098   2.246
  357    HA   VAL  45           HA       VAL  45  -9.543  -1.641   4.922
  358    HB   VAL  45           HB       VAL  45  -9.402  -0.306   2.252
  359   1HG1  VAL  45          1HG1      VAL  45  -9.867   1.535   3.829
  360   2HG1  VAL  45          3HG1      VAL  45  -8.498   1.020   4.814
  361   3HG1  VAL  45          2HG1      VAL  45  -8.230   1.617   3.179
  362   1HG2  VAL  45          2HG2      VAL  45  -7.344  -1.140   4.314
  363   2HG2  VAL  45          1HG2      VAL  45  -7.793  -2.057   2.875
  364   3HG2  VAL  45          3HG2      VAL  45  -6.980  -0.500   2.713
  365    H    GLU  46           H        GLU  46  -9.900   0.599   5.944
  366    HA   GLU  46           HA       GLU  46 -12.767   1.401   5.657
  367   1HB   GLU  46          2HB       GLU  46 -11.285   0.504   7.981
  368   2HB   GLU  46          1HB       GLU  46 -11.884   2.145   8.228
  369   1HG   GLU  46          2HG       GLU  46 -14.036   1.456   8.353
  370   2HG   GLU  46          1HG       GLU  46 -13.858   0.388   6.961
  371    H    TYR  47           H        TYR  47 -12.912   3.426   4.876
  372    HA   TYR  47           HA       TYR  47 -10.602   5.264   5.182
  373   1HB   TYR  47          2HB       TYR  47 -13.100   5.525   3.479
  374   2HB   TYR  47          1HB       TYR  47 -11.657   6.533   3.371
  375    HD1  TYR  47           HD2      TYR  47  -9.420   4.700   3.545
  376    HD2  TYR  47           HD1      TYR  47 -13.213   4.174   1.582
  377    HE1  TYR  47           HE2      TYR  47  -8.394   3.047   2.000
  378    HE2  TYR  47           HE1      TYR  47 -12.180   2.532   0.038
  379    HH   TYR  47           HH       TYR  47  -9.880   2.043  -0.836
  380    HA   PRO  48           HA       PRO  48 -10.850   7.689   4.443
  381   1HB   PRO  48          2HB       PRO  48  -9.689   9.627   6.010
  382   2HB   PRO  48          1HB       PRO  48 -11.170   9.865   5.062
  383   1HG   PRO  48          2HG       PRO  48 -10.865   9.449   8.007
  384   2HG   PRO  48          1HG       PRO  48 -12.107  10.351   7.122
  385   1HD   PRO  48          2HD       PRO  48 -12.458   7.791   8.202
  386   2HD   PRO  48          1HD       PRO  48 -13.469   8.507   6.924
  387    H    LEU  49           H        LEU  49  -8.781   7.043   4.084
  388    HA   LEU  49           HA       LEU  49  -7.318   5.811   6.381
  389   1HB   LEU  49          2HB       LEU  49  -7.823   4.076   4.880
  390   2HB   LEU  49          1HB       LEU  49  -7.605   5.109   3.470
  391    HG   LEU  49           HG       LEU  49  -5.115   5.212   4.147
  392   1HD1  LEU  49          3HD1      LEU  49  -6.217   3.570   6.255
  393   2HD1  LEU  49          2HD1      LEU  49  -5.030   2.643   5.336
  394   3HD1  LEU  49          1HD1      LEU  49  -4.571   4.172   6.079
  395   1HD2  LEU  49          1HD2      LEU  49  -6.669   3.247   2.730
  396   2HD2  LEU  49          3HD2      LEU  49  -5.051   3.856   2.365
  397   3HD2  LEU  49          2HD2      LEU  49  -5.257   2.485   3.460
  398    H    VAL  50           H        VAL  50  -4.920   5.971   6.232
  399    HA   VAL  50           HA       VAL  50  -4.031   8.379   4.694
  400    HB   VAL  50           HB       VAL  50  -3.666   7.665   7.582
  401   1HG1  VAL  50          1HG1      VAL  50  -1.626   9.197   5.935
  402   2HG1  VAL  50          3HG1      VAL  50  -1.669   9.152   7.698
  403   3HG1  VAL  50          2HG1      VAL  50  -1.347   7.679   6.787
  404   1HG2  VAL  50          2HG2      VAL  50  -5.129   9.525   6.414
  405   2HG2  VAL  50          1HG2      VAL  50  -4.274   9.879   7.916
  406   3HG2  VAL  50          3HG2      VAL  50  -3.598  10.399   6.372
  407    H    LEU  51           H        LEU  51  -2.897   7.349   3.037
  408    HA   LEU  51           HA       LEU  51  -1.203   5.024   3.672
  409   1HB   LEU  51          2HB       LEU  51  -2.470   5.278   1.479
  410   2HB   LEU  51          1HB       LEU  51  -1.326   6.562   1.071
  411    HG   LEU  51           HG       LEU  51   0.524   4.840   1.543
  412   1HD1  LEU  51          1HD1      LEU  51  -1.930   3.182   1.719
  413   2HD1  LEU  51          3HD1      LEU  51  -0.532   2.481   0.892
  414   3HD1  LEU  51          2HD1      LEU  51  -0.393   3.013   2.577
  415   1HD2  LEU  51          2HD2      LEU  51  -1.398   4.676  -0.762
  416   2HD2  LEU  51          1HD2      LEU  51   0.192   5.446  -0.707
  417   3HD2  LEU  51          3HD2      LEU  51   0.061   3.688  -0.709
  418    H    GLU  52           H        GLU  52  -0.049   6.662   5.264
  419    HA   GLU  52           HA       GLU  52   1.715   8.645   4.184
  420   1HB   GLU  52          2HB       GLU  52   1.315   8.640   6.558
  421   2HB   GLU  52          1HB       GLU  52   1.853   6.965   6.702
  422   1HG   GLU  52          2HG       GLU  52   3.977   7.645   6.986
  423   2HG   GLU  52          1HG       GLU  52   3.928   8.501   5.444
  424    H    TRP  53           H        TRP  53   2.621   7.575   2.259
  425    HA   TRP  53           HA       TRP  53   4.189   5.146   2.644
  426   1HB   TRP  53          2HB       TRP  53   2.918   5.959   0.492
  427   2HB   TRP  53          1HB       TRP  53   4.420   6.839   0.177
  428    HD1  TRP  53           HD1      TRP  53   6.687   5.078   0.787
  429    HE1  TRP  53           HE1      TRP  53   7.031   2.720  -0.195
  430    HE3  TRP  53           HE3      TRP  53   1.905   4.010  -0.636
  431    HZ2  TRP  53           HZ2      TRP  53   5.475   0.661  -1.412
  432    HZ3  TRP  53           HZ3      TRP  53   1.363   1.852  -1.716
  433    HH2  TRP  53           HH2      TRP  53   3.146   0.166  -2.099
  434    H    ARG  54           H        ARG  54   5.772   5.849   4.198
  435    HA   ARG  54           HA       ARG  54   7.454   8.144   3.819
  436   1HB   ARG  54          2HB       ARG  54   8.476   5.702   5.227
  437   2HB   ARG  54          1HB       ARG  54   8.639   7.400   5.677
  438   1HG   ARG  54          2HG       ARG  54   5.890   6.975   5.711
  439   2HG   ARG  54          1HG       ARG  54   6.550   5.487   6.388
  440   1HD   ARG  54          2HD       ARG  54   6.096   7.383   8.052
  441   2HD   ARG  54          1HD       ARG  54   7.702   6.655   8.112
  442    HE   ARG  54           HE       ARG  54   7.578   8.969   6.345
  443   1HH1  ARG  54          1HH2      ARG  54  10.073   8.956   7.412
  444   2HH1  ARG  54          2HH2      ARG  54  10.019   9.844   8.898
  445   1HH2  ARG  54          2HH1      ARG  54   6.572   9.637   9.205
  446   2HH2  ARG  54          1HH1      ARG  54   8.038  10.229   9.913
  447    H    GLN  55           H        GLN  55   9.443   8.340   2.777
  448    HA   GLN  55           HA       GLN  55  10.928   7.870   1.001
  449   1HB   GLN  55          2HB       GLN  55  11.094   5.585   2.938
  450   2HB   GLN  55          1HB       GLN  55  12.015   5.502   1.436
  451   1HG   GLN  55          2HG       GLN  55  12.137   7.778   3.437
  452   2HG   GLN  55          1HG       GLN  55  13.352   6.512   3.259
  453   1HE2  GLN  55          2HE2      GLN  55  14.690   7.852   0.226
  454   2HE2  GLN  55          1HE2      GLN  55  14.552   6.441   1.161
  455    H    PHE  56           H        PHE  56   9.076   7.764  -0.549
  456    HA   PHE  56           HA       PHE  56   8.042   5.120  -1.256
  457   1HB   PHE  56          2HB       PHE  56   6.625   7.102  -1.548
  458   2HB   PHE  56          1HB       PHE  56   7.802   7.799  -2.661
  459    HD1  PHE  56           HD1      PHE  56   5.706   4.734  -2.157
  460    HD2  PHE  56           HD2      PHE  56   7.646   7.349  -4.959
  461    HE1  PHE  56           HE1      PHE  56   4.673   3.493  -4.030
  462    HE2  PHE  56           HE2      PHE  56   6.612   6.107  -6.832
  463    HZ   PHE  56           HZ       PHE  56   5.122   4.177  -6.372
  464    H    GLU  57           H        GLU  57  10.870   6.860  -1.946
  465    HA   GLU  57           HA       GLU  57  11.316   6.042  -4.669
  466   1HB   GLU  57          2HB       GLU  57  12.718   7.517  -2.671
  467   2HB   GLU  57          1HB       GLU  57  13.798   6.249  -3.252
  468   1HG   GLU  57          2HG       GLU  57  12.218   7.921  -5.196
  469   2HG   GLU  57          1HG       GLU  57  13.747   8.509  -4.544
  470    H    GLN  58           H        GLN  58  13.216   4.882  -1.879
  471    HA   GLN  58           HA       GLN  58  13.991   2.453  -3.138
  472   1HB   GLN  58          2HB       GLN  58  14.553   1.690  -0.821
  473   2HB   GLN  58          1HB       GLN  58  15.194   3.291  -1.196
  474   1HG   GLN  58          2HG       GLN  58  12.966   4.168  -0.169
  475   2HG   GLN  58          1HG       GLN  58  12.852   2.563   0.552
  476   1HE2  GLN  58          2HE2      GLN  58  16.344   3.440   1.974
  477   2HE2  GLN  58          1HE2      GLN  58  15.959   2.515   0.605
  478    H    SER  59           H        SER  59  13.372   0.238  -2.072
  479    HA   SER  59           HA       SER  59  11.718  -1.315  -1.400
  480   1HB   SER  59          2HB       SER  59   9.979  -0.561  -0.171
  481   2HB   SER  59          1HB       SER  59  10.691   1.040  -0.381
  482    HG   SER  59           HG       SER  59   8.632  -0.215  -1.862
  483    H    LYS  60           H        LYS  60  10.928   1.122  -3.850
  484    HA   LYS  60           HA       LYS  60   9.124  -0.668  -5.298
  485   1HB   LYS  60          2HB       LYS  60   9.904   2.120  -5.377
  486   2HB   LYS  60          1HB       LYS  60   9.912   1.415  -6.996
  487   1HG   LYS  60          2HG       LYS  60   7.682   1.682  -7.011
  488   2HG   LYS  60          1HG       LYS  60   7.606   0.394  -5.812
  489   1HD   LYS  60          2HD       LYS  60   7.673   3.379  -5.338
  490   2HD   LYS  60          1HD       LYS  60   6.442   2.226  -4.825
  491   1HE   LYS  60          2HE       LYS  60   8.504   1.119  -3.563
  492   2HE   LYS  60          1HE       LYS  60   9.148   2.757  -3.661
  493   1HZ   LYS  60          3HZ       LYS  60   6.421   2.778  -2.873
  494   2HZ   LYS  60          2HZ       LYS  60   7.334   1.800  -1.828
  495   3HZ   LYS  60          1HZ       LYS  60   7.771   3.422  -2.076
  496    H    GLN  61           H        GLN  61  12.526   0.216  -5.481
  497    HA   GLN  61           HA       GLN  61  12.881  -0.893  -8.156
  498   1HB   GLN  61          2HB       GLN  61  14.370   0.762  -6.436
  499   2HB   GLN  61          1HB       GLN  61  15.344  -0.690  -6.675
  500   1HG   GLN  61          2HG       GLN  61  15.881   0.893  -8.437
  501   2HG   GLN  61          1HG       GLN  61  14.989  -0.453  -9.146
  502   1HE2  GLN  61          2HE2      GLN  61  12.638   1.778 -10.500
  503   2HE2  GLN  61          1HE2      GLN  61  13.594   0.390 -10.702
  504    H    LEU  62           H        LEU  62  14.464  -1.783  -5.167
  505    HA   LEU  62           HA       LEU  62  15.571  -4.183  -5.693
  506   1HB   LEU  62          2HB       LEU  62  14.081  -4.682  -3.300
  507   2HB   LEU  62          1HB       LEU  62  15.792  -4.291  -3.463
  508    HG   LEU  62           HG       LEU  62  15.177  -1.864  -3.541
  509   1HD1  LEU  62          1HD1      LEU  62  12.704  -2.610  -4.206
  510   2HD1  LEU  62          3HD1      LEU  62  12.481  -2.572  -2.464
  511   3HD1  LEU  62          2HD1      LEU  62  12.994  -1.119  -3.322
  512   1HD2  LEU  62          3HD2      LEU  62  14.406  -3.557  -1.170
  513   2HD2  LEU  62          2HD2      LEU  62  15.886  -2.631  -1.421
  514   3HD2  LEU  62          1HD2      LEU  62  14.365  -1.795  -1.105
  515    H    THR  63           H        THR  63  12.130  -3.659  -5.553
  516    HA   THR  63           HA       THR  63  11.632  -6.551  -5.965
  517    HB   THR  63           HB       THR  63  10.258  -5.278  -4.311
  518    HG1  THR  63           HG1      THR  63   9.476  -7.112  -5.585
  519   1HG2  THR  63          3HG2      THR  63   9.777  -3.624  -6.729
  520   2HG2  THR  63          2HG2      THR  63   8.404  -3.885  -5.654
  521   3HG2  THR  63          1HG2      THR  63   9.879  -3.145  -5.037
  522    H    GLU  64           H        GLU  64   9.066  -5.359  -7.460
  523    HA   GLU  64           HA       GLU  64  10.303  -4.569 -10.003
  524   1HB   GLU  64          2HB       GLU  64   9.261  -6.416 -11.264
  525   2HB   GLU  64          1HB       GLU  64  10.400  -7.046 -10.074
  526   1HG   GLU  64          2HG       GLU  64   8.731  -8.314  -9.252
  527   2HG   GLU  64          1HG       GLU  64   7.947  -6.830  -8.713
  528    H    ASN  65           H        ASN  65   8.871  -2.805  -8.825
  529    HA   ASN  65           HA       ASN  65   6.994  -1.423  -9.234
  530   1HB   ASN  65          2HB       ASN  65   6.917  -3.263 -11.352
  531   2HB   ASN  65          1HB       ASN  65   5.309  -3.326 -10.632
  532   1HD2  ASN  65          2HD2      ASN  65   4.380  -0.126 -11.803
  533   2HD2  ASN  65          1HD2      ASN  65   3.921  -1.520 -10.950
  534    H    GLY  66           H        GLY  66   7.338  -3.615  -7.142
  535   1HA   GLY  66          2HA       GLY  66   4.682  -4.614  -6.564
  536   2HA   GLY  66          1HA       GLY  66   6.062  -4.651  -5.461
  537    H    ALA  67           H        ALA  67   6.649  -1.918  -5.250
  538    HA   ALA  67           HA       ALA  67   4.457  -1.075  -3.502
  539   1HB   ALA  67          3HB       ALA  67   7.224  -0.131  -4.101
  540   2HB   ALA  67          2HB       ALA  67   6.087   1.038  -3.433
  541   3HB   ALA  67          1HB       ALA  67   6.457  -0.440  -2.547
  542    H    GLU  68           H        GLU  68   5.908   0.110  -6.537
  543    HA   GLU  68           HA       GLU  68   4.337   2.426  -6.828
  544   1HB   GLU  68          2HB       GLU  68   5.848   0.642  -8.652
  545   2HB   GLU  68          1HB       GLU  68   4.611   1.648  -9.408
  546   1HG   GLU  68          2HG       GLU  68   6.226   3.103  -7.438
  547   2HG   GLU  68          1HG       GLU  68   7.179   2.472  -8.782
  548    H    SER  69           H        SER  69   3.471  -0.919  -7.120
  549    HA   SER  69           HA       SER  69   1.031  -0.350  -8.656
  550   1HB   SER  69          2HB       SER  69   1.202  -2.546  -9.139
  551   2HB   SER  69          1HB       SER  69   2.596  -2.660  -8.074
  552    HG   SER  69           HG       SER  69  -0.145  -2.940  -7.383
  553    H    VAL  70           H        VAL  70   1.690  -1.610  -5.343
  554    HA   VAL  70           HA       VAL  70  -0.942  -1.565  -4.404
  555    HB   VAL  70           HB       VAL  70   1.611  -0.761  -2.960
  556   1HG1  VAL  70          3HG1      VAL  70  -1.073  -0.306  -2.163
  557   2HG1  VAL  70          2HG1      VAL  70  -0.494  -1.665  -1.206
  558   3HG1  VAL  70          1HG1      VAL  70   0.378  -0.132  -1.177
  559   1HG2  VAL  70          2HG2      VAL  70   0.460  -3.286  -3.734
  560   2HG2  VAL  70          1HG2      VAL  70   1.966  -2.990  -2.865
  561   3HG2  VAL  70          3HG2      VAL  70   0.455  -3.171  -1.974
  562    H    LEU  71           H        LEU  71   1.316   0.940  -5.145
  563    HA   LEU  71           HA       LEU  71  -0.240   2.983  -3.844
  564   1HB   LEU  71          2HB       LEU  71   2.284   3.044  -4.222
  565   2HB   LEU  71          1HB       LEU  71   1.914   3.439  -5.902
  566    HG   LEU  71           HG       LEU  71   0.800   5.448  -5.290
  567   1HD1  LEU  71          3HD1      LEU  71   0.668   4.123  -2.629
  568   2HD1  LEU  71          2HD1      LEU  71   0.791   5.889  -2.642
  569   3HD1  LEU  71          1HD1      LEU  71  -0.555   5.089  -3.470
  570   1HD2  LEU  71          1HD2      LEU  71   3.366   5.319  -5.051
  571   2HD2  LEU  71          3HD2      LEU  71   2.552   6.696  -4.314
  572   3HD2  LEU  71          2HD2      LEU  71   3.072   5.343  -3.312
  573    H    GLN  72           H        GLN  72   0.280   1.972  -7.247
  574    HA   GLN  72           HA       GLN  72  -1.277   3.996  -8.441
  575   1HB   GLN  72          2HB       GLN  72  -0.815   1.100  -9.120
  576   2HB   GLN  72          1HB       GLN  72  -1.964   2.050 -10.063
  577   1HG   GLN  72          2HG       GLN  72  -0.306   3.536 -10.822
  578   2HG   GLN  72          1HG       GLN  72   0.813   3.091  -9.532
  579   1HE2  GLN  72          2HE2      GLN  72   0.623   0.814 -12.922
  580   2HE2  GLN  72          1HE2      GLN  72  -0.524   2.035 -12.648
  581    H    VAL  73           H        VAL  73  -2.168   1.234  -6.569
  582    HA   VAL  73           HA       VAL  73  -5.035   1.498  -7.116
  583    HB   VAL  73           HB       VAL  73  -3.506  -0.213  -5.145
  584   1HG1  VAL  73          3HG1      VAL  73  -5.933   0.346  -4.579
  585   2HG1  VAL  73          2HG1      VAL  73  -6.360  -0.511  -6.058
  586   3HG1  VAL  73          1HG1      VAL  73  -5.553  -1.368  -4.749
  587   1HG2  VAL  73          3HG2      VAL  73  -3.908  -0.333  -7.962
  588   2HG2  VAL  73          2HG2      VAL  73  -3.128  -1.527  -6.921
  589   3HG2  VAL  73          1HG2      VAL  73  -4.867  -1.627  -7.233
  590    H    PHE  74           H        PHE  74  -2.902   2.129  -4.298
  591    HA   PHE  74           HA       PHE  74  -4.859   2.901  -2.482
  592   1HB   PHE  74          2HB       PHE  74  -1.982   3.456  -2.891
  593   2HB   PHE  74          1HB       PHE  74  -2.847   4.655  -1.945
  594    HD1  PHE  74           HD1      PHE  74  -4.496   3.681  -0.107
  595    HD2  PHE  74           HD2      PHE  74  -1.176   1.553  -1.809
  596    HE1  PHE  74           HE1      PHE  74  -4.509   2.102   1.791
  597    HE2  PHE  74           HE2      PHE  74  -1.202  -0.012   0.116
  598    HZ   PHE  74           HZ       PHE  74  -2.887   0.272   1.902
  599    H    ARG  75           H        ARG  75  -3.053   4.860  -4.811
  600    HA   ARG  75           HA       ARG  75  -4.556   7.267  -4.475
  601   1HB   ARG  75          2HB       ARG  75  -2.707   6.163  -6.545
  602   2HB   ARG  75          1HB       ARG  75  -3.731   7.521  -7.008
  603   1HG   ARG  75          2HG       ARG  75  -2.586   8.985  -5.704
  604   2HG   ARG  75          1HG       ARG  75  -2.442   7.831  -4.379
  605   1HD   ARG  75          2HD       ARG  75  -0.262   7.667  -4.972
  606   2HD   ARG  75          1HD       ARG  75  -0.840   6.715  -6.340
  607    HE   ARG  75           HE       ARG  75   0.386   9.256  -6.573
  608   1HH1  ARG  75          1HH2      ARG  75  -0.971   7.070  -8.527
  609   2HH1  ARG  75          2HH2      ARG  75  -1.797   8.170  -9.580
  610   1HH2  ARG  75          2HH1      ARG  75  -1.316  10.917  -7.519
  611   2HH2  ARG  75          1HH1      ARG  75  -1.992  10.349  -9.009
  612    H    GLU  76           H        GLU  76  -4.923   4.506  -6.769
  613    HA   GLU  76           HA       GLU  76  -7.024   5.535  -8.338
  614   1HB   GLU  76          2HB       GLU  76  -6.414   2.759  -7.338
  615   2HB   GLU  76          1HB       GLU  76  -7.857   3.068  -8.302
  616   1HG   GLU  76          2HG       GLU  76  -5.281   4.176  -9.300
  617   2HG   GLU  76          1HG       GLU  76  -5.525   2.435  -9.430
  618    H    ALA  77           H        ALA  77  -7.071   4.327  -5.060
  619    HA   ALA  77           HA       ALA  77  -9.992   4.319  -4.873
  620   1HB   ALA  77          3HB       ALA  77  -8.015   3.052  -3.476
  621   2HB   ALA  77          2HB       ALA  77  -8.354   4.409  -2.410
  622   3HB   ALA  77          1HB       ALA  77  -9.645   3.296  -2.845
  623    H    LYS  78           H        LYS  78  -7.325   6.390  -3.732
  624    HA   LYS  78           HA       LYS  78  -9.287   8.392  -2.794
  625   1HB   LYS  78          2HB       LYS  78  -7.621   8.579  -1.253
  626   2HB   LYS  78          1HB       LYS  78  -6.466   7.757  -2.283
  627   1HG   LYS  78          2HG       LYS  78  -5.720  10.030  -1.759
  628   2HG   LYS  78          1HG       LYS  78  -6.008   9.860  -3.477
  629   1HD   LYS  78          2HD       LYS  78  -7.063  11.827  -1.753
  630   2HD   LYS  78          1HD       LYS  78  -7.516  11.554  -3.428
  631   1HE   LYS  78          2HE       LYS  78  -9.395  10.253  -2.828
  632   2HE   LYS  78          1HE       LYS  78  -8.789   9.965  -1.199
  633   1HZ   LYS  78          2HZ       LYS  78  -9.188  12.742  -1.946
  634   2HZ   LYS  78          1HZ       LYS  78 -10.599  11.812  -1.773
  635   3HZ   LYS  78          3HZ       LYS  78  -9.514  11.952  -0.478
  636    H    ALA  79           H        ALA  79  -9.657   7.909  -5.346
  637    HA   ALA  79           HA       ALA  79  -8.969  10.409  -6.720
  638   1HB   ALA  79          1HB       ALA  79  -7.147   8.598  -7.187
  639   2HB   ALA  79          3HB       ALA  79  -8.420   7.775  -8.098
  640   3HB   ALA  79          2HB       ALA  79  -7.889   9.392  -8.578
  641    H    GLU  80           H        GLU  80 -10.275   7.152  -6.943
  642    HA   GLU  80           HA       GLU  80 -12.366   7.932  -8.832
  643   1HB   GLU  80          2HB       GLU  80 -12.059   5.327  -7.317
  644   2HB   GLU  80          1HB       GLU  80 -12.910   5.602  -8.832
  645   1HG   GLU  80          2HG       GLU  80 -10.077   6.413  -8.860
  646   2HG   GLU  80          1HG       GLU  80 -10.352   4.680  -8.687
  647    H    GLY  81           H        GLY  81 -12.245   6.751  -5.439
  648   1HA   GLY  81          2HA       GLY  81 -14.499   8.459  -4.732
  649   2HA   GLY  81          1HA       GLY  81 -14.946   6.751  -4.807
  650    H    ALA  82           H        ALA  82 -12.478   5.672  -3.847
  651    HA   ALA  82           HA       ALA  82 -12.854   5.477  -1.130
  652   1HB   ALA  82          1HB       ALA  82 -10.896   4.657  -2.910
  653   2HB   ALA  82          3HB       ALA  82 -10.001   5.644  -1.752
  654   3HB   ALA  82          2HB       ALA  82 -10.951   4.265  -1.192
  655    H    ASP  83           H        ASP  83 -11.972   6.525   0.724
  656    HA   ASP  83           HA       ASP  83 -11.209   9.374   0.242
  657   1HB   ASP  83          2HB       ASP  83 -12.684   7.964   2.451
  658   2HB   ASP  83          1HB       ASP  83 -11.812   9.454   2.813
  659    H    ILE  84           H        ILE  84  -9.080   7.970  -0.208
  660    HA   ILE  84           HA       ILE  84  -7.657   7.498   2.361
  661    HB   ILE  84           HB       ILE  84  -7.098   6.652  -0.490
  662   1HG1  ILE  84          2HG1      ILE  84  -7.140   4.737   1.739
  663   2HG1  ILE  84          1HG1      ILE  84  -8.677   5.550   1.447
  664   1HG2  ILE  84          2HG2      ILE  84  -4.987   7.283   0.737
  665   2HG2  ILE  84          1HG2      ILE  84  -5.425   6.104   1.978
  666   3HG2  ILE  84          3HG2      ILE  84  -5.080   5.567   0.331
  667   1HD1  ILE  84          1HD1      ILE  84  -7.203   4.544  -0.933
  668   2HD1  ILE  84          3HD1      ILE  84  -7.954   3.339   0.113
  669   3HD1  ILE  84          2HD1      ILE  84  -8.940   4.602  -0.625
  670    H    THR  85           H        THR  85  -5.436   8.316   2.534
  671    HA   THR  85           HA       THR  85  -5.023  10.836   0.981
  672    HB   THR  85           HB       THR  85  -4.212  10.281   3.854
  673    HG1  THR  85           HG1      THR  85  -6.246  10.731   4.140
  674   1HG2  THR  85          1HG2      THR  85  -2.749  11.849   2.587
  675   2HG2  THR  85          3HG2      THR  85  -4.165  12.840   2.231
  676   3HG2  THR  85          2HG2      THR  85  -3.619  12.646   3.897
  677    H    ILE  86           H        ILE  86  -3.625   9.858  -0.530
  678    HA   ILE  86           HA       ILE  86  -1.450   8.158   0.351
  679    HB   ILE  86           HB       ILE  86  -2.541   9.112  -2.211
  680   1HG1  ILE  86          2HG1      ILE  86  -2.155   6.823  -2.839
  681   2HG1  ILE  86          1HG1      ILE  86  -1.014   6.592  -1.519
  682   1HG2  ILE  86          1HG2      ILE  86  -0.190  10.023  -2.286
  683   2HG2  ILE  86          3HG2      ILE  86   0.397   8.375  -2.062
  684   3HG2  ILE  86          2HG2      ILE  86  -0.520   8.796  -3.508
  685   1HD1  ILE  86          2HD1      ILE  86  -3.369   7.467  -0.267
  686   2HD1  ILE  86          1HD1      ILE  86  -3.911   6.341  -1.507
  687   3HD1  ILE  86          3HD1      ILE  86  -2.747   5.817  -0.290
  688    H    ILE  87           H        ILE  87   0.345   8.872   1.302
  689    HA   ILE  87           HA       ILE  87   1.001  11.741   1.207
  690    HB   ILE  87           HB       ILE  87   2.255   9.372   2.601
  691   1HG1  ILE  87          2HG1      ILE  87   1.467  10.552   4.613
  692   2HG1  ILE  87          1HG1      ILE  87   0.863  11.873   3.613
  693   1HG2  ILE  87          3HG2      ILE  87   3.450  11.918   1.912
  694   2HG2  ILE  87          2HG2      ILE  87   3.296  11.765   3.662
  695   3HG2  ILE  87          1HG2      ILE  87   4.175  10.543   2.745
  696   1HD1  ILE  87          2HD1      ILE  87  -0.055   9.048   3.123
  697   2HD1  ILE  87          1HD1      ILE  87  -0.815  10.033   4.374
  698   3HD1  ILE  87          3HD1      ILE  87  -0.854  10.560   2.692
  699    H    LEU  88           H        LEU  88   2.926   8.794   0.513
  700    HA   LEU  88           HA       LEU  88   4.577   8.435  -1.117
  701   1HB   LEU  88          2HB       LEU  88   2.822  10.516  -2.302
  702   2HB   LEU  88          1HB       LEU  88   4.437  10.381  -2.998
  703    HG   LEU  88           HG       LEU  88   2.597   8.016  -2.573
  704   1HD1  LEU  88          3HD1      LEU  88   2.067  10.012  -4.330
  705   2HD1  LEU  88          2HD1      LEU  88   3.159   9.028  -5.305
  706   3HD1  LEU  88          1HD1      LEU  88   1.684   8.319  -4.647
  707   1HD2  LEU  88          1HD2      LEU  88   5.327   8.468  -3.685
  708   2HD2  LEU  88          3HD2      LEU  88   4.685   7.074  -2.814
  709   3HD2  LEU  88          2HD2      LEU  88   4.305   7.300  -4.523
  710    H    SER  89           HN       SER  89   5.301   9.829   1.212
  711    HA   SER  89           HA       SER  89   7.163  11.030   2.001
  712   1HB   SER  89          2HB       SER  89   7.900  10.186  -0.565
  713   2HB   SER  89          1HB       SER  89   8.231  11.920  -0.557
  714    HG   SER  89           HG       SER  89   9.772  10.138   0.405
   
  No H/Q in entry =         714
  Start of MODEL   14
    1   1H    LYS   1          1H        LYS   1  -8.281   4.551   7.445
    2   2H    LYS   1          3H        LYS   1  -9.257   3.986   8.712
    3   3H    LYS   1          2H        LYS   1  -8.577   5.541   8.794
    4    HA   LYS   1           HA       LYS   1  -7.341   4.083  10.221
    5   1HB   LYS   1          2HB       LYS   1  -7.649   2.320   7.886
    6   2HB   LYS   1          1HB       LYS   1  -6.019   2.323   8.562
    7   1HG   LYS   1          2HG       LYS   1  -8.538   1.928  10.202
    8   2HG   LYS   1          1HG       LYS   1  -7.525   0.611   9.610
    9   1HD   LYS   1          2HD       LYS   1  -5.917   0.984  11.170
   10   2HD   LYS   1          1HD       LYS   1  -6.038   2.736  11.007
   11   1HE   LYS   1          2HE       LYS   1  -6.801   2.242  13.215
   12   2HE   LYS   1          1HE       LYS   1  -8.254   2.564  12.267
   13   1HZ   LYS   1          3HZ       LYS   1  -8.227   0.045  11.862
   14   2HZ   LYS   1          2HZ       LYS   1  -7.192  -0.021  13.207
   15   3HZ   LYS   1          1HZ       LYS   1  -8.760   0.613  13.369
   16    H    LYS   2           H        LYS   2  -4.796   3.689   9.877
   17    HA   LYS   2           HA       LYS   2  -3.787   5.765   7.987
   18   1HB   LYS   2          2HB       LYS   2  -3.722   6.956  10.010
   19   2HB   LYS   2          1HB       LYS   2  -3.316   5.522  10.951
   20   1HG   LYS   2          2HG       LYS   2  -1.084   5.476   9.785
   21   2HG   LYS   2          1HG       LYS   2  -1.502   7.015   9.035
   22   1HD   LYS   2          2HD       LYS   2  -2.059   7.424  11.731
   23   2HD   LYS   2          1HD       LYS   2  -0.574   6.473  11.749
   24   1HE   LYS   2          2HE       LYS   2   0.662   8.136  10.788
   25   2HE   LYS   2          1HE       LYS   2  -0.664   8.659   9.750
   26   1HZ   LYS   2          2HZ       LYS   2  -1.720   9.526  11.859
   27   2HZ   LYS   2          1HZ       LYS   2  -0.206   9.308  12.599
   28   3HZ   LYS   2          3HZ       LYS   2  -0.363  10.376  11.290
   29    H    ALA   3           H        ALA   3  -2.780   4.375   6.567
   30    HA   ALA   3           HA       ALA   3  -1.099   2.184   7.615
   31   1HB   ALA   3          1HB       ALA   3  -2.665   2.351   5.385
   32   2HB   ALA   3          3HB       ALA   3  -1.091   2.776   4.714
   33   3HB   ALA   3          2HB       ALA   3  -1.308   1.235   5.546
   34    H    VAL   4           H        VAL   4   1.166   2.168   7.374
   35    HA   VAL   4           HA       VAL   4   2.381   4.655   6.270
   36    HB   VAL   4           HB       VAL   4   3.104   3.312   8.894
   37   1HG1  VAL   4          2HG1      VAL   4   4.786   4.655   7.136
   38   2HG1  VAL   4          1HG1      VAL   4   4.303   5.909   8.279
   39   3HG1  VAL   4          3HG1      VAL   4   5.069   4.431   8.864
   40   1HG2  VAL   4          2HG2      VAL   4   1.232   5.373   8.211
   41   2HG2  VAL   4          1HG2      VAL   4   1.651   4.767   9.814
   42   3HG2  VAL   4          3HG2      VAL   4   2.560   6.106   9.111
   43    H    ILE   5           H        ILE   5   3.862   4.141   4.779
   44    HA   ILE   5           HA       ILE   5   4.920   1.371   4.693
   45    HB   ILE   5           HB       ILE   5   5.316   3.552   2.640
   46   1HG1  ILE   5          2HG1      ILE   5   2.842   3.000   3.388
   47   2HG1  ILE   5          1HG1      ILE   5   3.231   3.131   1.684
   48   1HG2  ILE   5          3HG2      ILE   5   5.902   0.690   2.863
   49   2HG2  ILE   5          2HG2      ILE   5   5.039   1.102   1.381
   50   3HG2  ILE   5          1HG2      ILE   5   6.569   1.894   1.760
   51   1HD1  ILE   5          2HD1      ILE   5   3.659   0.434   2.746
   52   2HD1  ILE   5          1HD1      ILE   5   1.987   0.979   2.872
   53   3HD1  ILE   5          3HD1      ILE   5   2.786   0.953   1.301
   54    H    ASN   6           H        ASN   6   6.716   1.181   5.923
   55    HA   ASN   6           HA       ASN   6   8.705   3.401   5.855
   56   1HB   ASN   6          2HB       ASN   6   8.965   1.130   7.770
   57   2HB   ASN   6          1HB       ASN   6   9.318   2.845   8.013
   58   1HD2  ASN   6          2HD2      ASN   6   6.130   1.838   9.824
   59   2HD2  ASN   6          1HD2      ASN   6   7.693   1.174   9.815
   60    H    GLY   7           H        GLY   7   9.699   2.774   3.875
   61   1HA   GLY   7          2HA       GLY   7  10.526   0.083   3.320
   62   2HA   GLY   7          1HA       GLY   7  11.138   1.527   2.504
   63    H    GLU   8           H        GLU   8  11.655   2.384   5.527
   64    HA   GLU   8           HA       GLU   8  14.462   1.819   5.452
   65   1HB   GLU   8          2HB       GLU   8  13.196   3.733   6.684
   66   2HB   GLU   8          1HB       GLU   8  12.993   2.549   7.977
   67   1HG   GLU   8          2HG       GLU   8  15.003   3.563   8.590
   68   2HG   GLU   8          1HG       GLU   8  15.577   2.180   7.657
   69    H    GLN   9           H        GLN   9  11.757   0.054   6.511
   70    HA   GLN   9           HA       GLN   9  13.530  -1.876   7.938
   71   1HB   GLN   9          2HB       GLN   9  11.827  -0.833   9.418
   72   2HB   GLN   9          1HB       GLN   9  10.560  -1.422   8.340
   73   1HG   GLN   9          2HG       GLN   9  11.477  -3.760   8.716
   74   2HG   GLN   9          1HG       GLN   9  12.487  -3.073   9.990
   75   1HE2  GLN   9          2HE2      GLN   9   8.413  -3.195  10.568
   76   2HE2  GLN   9          1HE2      GLN   9   9.022  -3.191   8.983
   77    H    ILE  10           H        ILE  10  11.277  -1.352   5.401
   78    HA   ILE  10           HA       ILE  10  10.561  -4.120   4.947
   79    HB   ILE  10           HB       ILE  10  10.585  -1.808   2.984
   80   1HG1  ILE  10          2HG1      ILE  10   9.230  -1.458   5.092
   81   2HG1  ILE  10          1HG1      ILE  10   8.279  -1.444   3.608
   82   1HG2  ILE  10          1HG2      ILE  10   9.456  -4.596   2.951
   83   2HG2  ILE  10          3HG2      ILE  10   8.653  -3.313   2.046
   84   3HG2  ILE  10          2HG2      ILE  10  10.326  -3.736   1.680
   85   1HD1  ILE  10          1HD1      ILE  10   7.888  -3.947   4.026
   86   2HD1  ILE  10          3HD1      ILE  10   8.523  -3.661   5.646
   87   3HD1  ILE  10          2HD1      ILE  10   7.062  -2.830   5.111
   88    H    ARG  11           H        ARG  11  12.150  -5.562   4.531
   89    HA   ARG  11           HA       ARG  11  14.651  -4.804   3.216
   90   1HB   ARG  11          2HB       ARG  11  13.907  -7.678   3.305
   91   2HB   ARG  11          1HB       ARG  11  15.398  -6.886   3.821
   92   1HG   ARG  11          2HG       ARG  11  14.034  -5.941   5.773
   93   2HG   ARG  11          1HG       ARG  11  12.792  -7.111   5.318
   94   1HD   ARG  11          2HD       ARG  11  14.221  -8.084   7.048
   95   2HD   ARG  11          1HD       ARG  11  14.484  -8.933   5.525
   96    HE   ARG  11           HE       ARG  11  16.701  -8.137   5.548
   97   1HH1  ARG  11          1HH2      ARG  11  15.892  -5.221   5.663
   98   2HH1  ARG  11          2HH2      ARG  11  16.637  -4.715   7.143
   99   1HH2  ARG  11          2HH1      ARG  11  17.141  -7.943   8.304
  100   2HH2  ARG  11          1HH1      ARG  11  17.343  -6.256   8.639
  101    H    SER  12           H        SER  12  11.775  -6.674   2.369
  102    HA   SER  12           HA       SER  12  12.327  -6.104  -0.501
  103   1HB   SER  12          2HB       SER  12  12.005  -8.388  -1.163
  104   2HB   SER  12          1HB       SER  12  13.193  -8.412   0.137
  105    HG   SER  12           HG       SER  12  11.324  -8.767   1.553
  106    H    ILE  13           H        ILE  13  10.283  -6.854  -1.813
  107    HA   ILE  13           HA       ILE  13   8.038  -5.420  -0.872
  108    HB   ILE  13           HB       ILE  13   8.539  -6.254  -3.257
  109   1HG1  ILE  13          2HG1      ILE  13   6.142  -6.310  -3.829
  110   2HG1  ILE  13          1HG1      ILE  13   5.740  -6.597  -2.135
  111   1HG2  ILE  13          1HG2      ILE  13   8.772  -8.647  -2.600
  112   2HG2  ILE  13          3HG2      ILE  13   7.055  -8.677  -2.198
  113   3HG2  ILE  13          2HG2      ILE  13   7.567  -8.409  -3.865
  114   1HD1  ILE  13          3HD1      ILE  13   7.309  -4.182  -3.064
  115   2HD1  ILE  13          2HD1      ILE  13   5.553  -4.178  -2.903
  116   3HD1  ILE  13          1HD1      ILE  13   6.568  -4.443  -1.486
  117    H    SER  14           H        SER  14   9.166  -8.559  -0.021
  118    HA   SER  14           HA       SER  14   6.722  -9.813   0.745
  119   1HB   SER  14          2HB       SER  14   9.543 -10.288   1.092
  120   2HB   SER  14          1HB       SER  14   8.715 -10.549   2.624
  121    HG   SER  14           HG       SER  14   8.609 -12.441   1.457
  122    H    ASP  15           H        ASP  15   8.920  -7.662   2.554
  123    HA   ASP  15           HA       ASP  15   7.293  -7.723   4.951
  124   1HB   ASP  15          2HB       ASP  15   9.786  -6.496   4.054
  125   2HB   ASP  15          1HB       ASP  15   8.828  -5.401   5.043
  126    H    LEU  16           H        LEU  16   7.288  -5.965   2.004
  127    HA   LEU  16           HA       LEU  16   5.839  -3.632   2.830
  128   1HB   LEU  16          2HB       LEU  16   7.021  -4.018   0.602
  129   2HB   LEU  16          1HB       LEU  16   5.639  -5.001   0.138
  130    HG   LEU  16           HG       LEU  16   4.377  -3.177  -0.317
  131   1HD1  LEU  16          2HD1      LEU  16   5.471  -1.915   2.219
  132   2HD1  LEU  16          1HD1      LEU  16   4.238  -1.186   1.193
  133   3HD1  LEU  16          3HD1      LEU  16   3.904  -2.701   2.030
  134   1HD2  LEU  16          2HD2      LEU  16   6.810  -2.609  -1.058
  135   2HD2  LEU  16          1HD2      LEU  16   5.593  -1.334  -1.082
  136   3HD2  LEU  16          3HD2      LEU  16   6.747  -1.426   0.249
  137    H    HIS  17           H        HIS  17   4.740  -6.682   1.320
  138    HA   HIS  17           HA       HIS  17   1.963  -6.192   1.466
  139   1HB   HIS  17          2HB       HIS  17   3.472  -8.803   1.753
  140   2HB   HIS  17          1HB       HIS  17   1.738  -8.676   1.440
  141    HD1  HIS  17           HD1      HIS  17   1.789  -9.664  -0.920
  142    HD2  HIS  17           HD2      HIS  17   4.368  -6.417  -0.476
  143    HE1  HIS  17           HE1      HIS  17   2.596  -9.067  -3.243
  144    H    GLN  18           H        GLN  18   4.254  -6.934   3.920
  145    HA   GLN  18           HA       GLN  18   2.267  -7.802   5.877
  146   1HB   GLN  18          2HB       GLN  18   5.162  -6.991   6.246
  147   2HB   GLN  18          1HB       GLN  18   4.153  -7.760   7.472
  148   1HG   GLN  18          2HG       GLN  18   3.777  -9.594   5.643
  149   2HG   GLN  18          1HG       GLN  18   5.241  -8.924   4.922
  150   1HE2  GLN  18          2HE2      GLN  18   7.348 -10.548   7.220
  151   2HE2  GLN  18          1HE2      GLN  18   7.182  -9.740   5.736
  152    H    THR  19           H        THR  19   3.958  -4.872   5.039
  153    HA   THR  19           HA       THR  19   3.080  -3.371   7.345
  154    HB   THR  19           HB       THR  19   4.169  -2.564   4.648
  155    HG1  THR  19           HG1      THR  19   5.580  -3.445   6.223
  156   1HG2  THR  19          2HG2      THR  19   2.641  -0.957   6.498
  157   2HG2  THR  19          1HG2      THR  19   4.300  -0.366   6.411
  158   3HG2  THR  19          3HG2      THR  19   3.333  -0.499   4.942
  159    H    LEU  20           H        LEU  20   1.833  -3.826   4.112
  160    HA   LEU  20           HA       LEU  20  -0.412  -1.993   4.538
  161   1HB   LEU  20          2HB       LEU  20  -0.475  -4.089   2.408
  162   2HB   LEU  20          1HB       LEU  20  -1.011  -2.407   2.334
  163    HG   LEU  20           HG       LEU  20   1.844  -3.379   2.391
  164   1HD1  LEU  20          2HD1      LEU  20  -0.021  -2.434   0.267
  165   2HD1  LEU  20          1HD1      LEU  20   1.663  -1.917   0.155
  166   3HD1  LEU  20          3HD1      LEU  20   1.266  -3.636   0.175
  167   1HD2  LEU  20          2HD2      LEU  20   1.037  -1.098   3.548
  168   2HD2  LEU  20          1HD2      LEU  20   2.554  -1.200   2.655
  169   3HD2  LEU  20          3HD2      LEU  20   1.118  -0.535   1.879
  170    H    LYS  21           H        LYS  21   0.276  -5.417   4.663
  171    HA   LYS  21           HA       LYS  21  -2.464  -6.259   5.123
  172   1HB   LYS  21          2HB       LYS  21  -0.851  -7.882   4.312
  173   2HB   LYS  21          1HB       LYS  21   0.207  -7.580   5.694
  174   1HG   LYS  21          2HG       LYS  21  -0.994  -8.943   7.049
  175   2HG   LYS  21          1HG       LYS  21  -2.533  -8.306   6.465
  176   1HD   LYS  21          2HD       LYS  21  -2.732  -9.902   4.835
  177   2HD   LYS  21          1HD       LYS  21  -0.993  -9.979   4.551
  178   1HE   LYS  21          2HE       LYS  21  -1.791 -10.907   7.224
  179   2HE   LYS  21          1HE       LYS  21  -2.449 -11.883   5.910
  180   1HZ   LYS  21          2HZ       LYS  21   0.247 -11.241   5.375
  181   2HZ   LYS  21          1HZ       LYS  21   0.130 -11.936   6.921
  182   3HZ   LYS  21          3HZ       LYS  21  -0.466 -12.770   5.571
  183    H    LYS  22           H        LYS  22   0.043  -4.848   7.025
  184    HA   LYS  22           HA       LYS  22  -1.114  -5.713   9.590
  185   1HB   LYS  22          2HB       LYS  22   1.199  -5.533   9.787
  186   2HB   LYS  22          1HB       LYS  22   1.285  -4.133   8.721
  187   1HG   LYS  22          2HG       LYS  22   0.240  -2.736  10.465
  188   2HG   LYS  22          1HG       LYS  22   0.161  -4.135  11.539
  189   1HD   LYS  22          2HD       LYS  22   2.250  -3.673  12.235
  190   2HD   LYS  22          1HD       LYS  22   2.831  -3.994  10.600
  191   1HE   LYS  22          2HE       LYS  22   3.539  -1.769  11.115
  192   2HE   LYS  22          1HE       LYS  22   2.155  -1.596  10.035
  193   1HZ   LYS  22          2HZ       LYS  22   1.545  -1.737  12.869
  194   2HZ   LYS  22          1HZ       LYS  22   2.362  -0.336  12.363
  195   3HZ   LYS  22          3HZ       LYS  22   0.875  -0.751  11.659
  196    H    GLU  23           H        GLU  23  -0.896  -2.727   7.639
  197    HA   GLU  23           HA       GLU  23  -2.348  -1.172   9.630
  198   1HB   GLU  23          2HB       GLU  23  -1.709  -0.586   6.730
  199   2HB   GLU  23          1HB       GLU  23  -2.394   0.576   7.867
  200   1HG   GLU  23          2HG       GLU  23   0.168  -0.871   8.510
  201   2HG   GLU  23          1HG       GLU  23   0.180   0.585   7.515
  202    H    LEU  24           H        LEU  24  -3.122  -2.318   6.393
  203    HA   LEU  24           HA       LEU  24  -5.935  -1.673   6.633
  204   1HB   LEU  24          2HB       LEU  24  -4.711  -3.621   4.673
  205   2HB   LEU  24          1HB       LEU  24  -6.153  -2.627   4.462
  206    HG   LEU  24           HG       LEU  24  -3.476  -1.343   4.963
  207   1HD1  LEU  24          1HD1      LEU  24  -4.140  -2.947   2.701
  208   2HD1  LEU  24          3HD1      LEU  24  -4.117  -1.258   2.193
  209   3HD1  LEU  24          2HD1      LEU  24  -2.698  -1.967   2.968
  210   1HD2  LEU  24          2HD2      LEU  24  -6.168  -0.492   4.486
  211   2HD2  LEU  24          1HD2      LEU  24  -4.741   0.493   4.805
  212   3HD2  LEU  24          3HD2      LEU  24  -5.156   0.052   3.148
  213    H    ALA  25           H        ALA  25  -3.947  -4.377   7.514
  214    HA   ALA  25           HA       ALA  25  -4.515  -6.334   8.686
  215   1HB   ALA  25          3HB       ALA  25  -6.510  -4.480   9.351
  216   2HB   ALA  25          2HB       ALA  25  -7.389  -5.929   8.861
  217   3HB   ALA  25          1HB       ALA  25  -6.196  -6.016  10.158
  218    H    LEU  26           H        LEU  26  -4.249  -6.636   6.040
  219    HA   LEU  26           HA       LEU  26  -6.654  -7.748   4.803
  220   1HB   LEU  26          2HB       LEU  26  -3.803  -8.071   3.840
  221   2HB   LEU  26          1HB       LEU  26  -5.282  -8.075   2.878
  222    HG   LEU  26           HG       LEU  26  -4.279  -5.684   4.444
  223   1HD1  LEU  26          1HD1      LEU  26  -3.069  -6.636   2.240
  224   2HD1  LEU  26          3HD1      LEU  26  -4.361  -5.717   1.470
  225   3HD1  LEU  26          2HD1      LEU  26  -3.230  -4.910   2.556
  226   1HD2  LEU  26          3HD2      LEU  26  -6.815  -6.343   3.349
  227   2HD2  LEU  26          2HD2      LEU  26  -6.299  -4.787   4.000
  228   3HD2  LEU  26          1HD2      LEU  26  -6.103  -5.132   2.281
  229    HA   PRO  27           HA       PRO  27  -6.164 -11.925   6.031
  230   1HB   PRO  27          2HB       PRO  27  -6.910 -13.263   3.750
  231   2HB   PRO  27          1HB       PRO  27  -8.051 -12.413   4.812
  232   1HG   PRO  27          2HG       PRO  27  -7.010 -11.598   2.140
  233   2HG   PRO  27          1HG       PRO  27  -8.543 -11.179   2.920
  234   1HD   PRO  27          2HD       PRO  27  -6.268  -9.522   2.737
  235   2HD   PRO  27          1HD       PRO  27  -7.665  -9.253   3.801
  236    H    GLU  28           H        GLU  28  -5.418 -14.187   4.678
  237    HA   GLU  28           HA       GLU  28  -2.530 -13.856   4.493
  238   1HB   GLU  28          2HB       GLU  28  -3.383 -15.861   5.531
  239   2HB   GLU  28          1HB       GLU  28  -4.347 -16.247   4.104
  240   1HG   GLU  28          2HG       GLU  28  -2.376 -17.619   3.998
  241   2HG   GLU  28          1HG       GLU  28  -2.175 -16.345   2.795
  242    H    TYR  29           H        TYR  29  -5.016 -15.027   2.168
  243    HA   TYR  29           HA       TYR  29  -3.213 -15.226  -0.024
  244   1HB   TYR  29          2HB       TYR  29  -5.079 -15.612  -1.368
  245   2HB   TYR  29          1HB       TYR  29  -5.688 -16.059   0.227
  246    HD1  TYR  29           HD2      TYR  29  -6.867 -14.190   1.599
  247    HD2  TYR  29           HD1      TYR  29  -6.182 -13.969  -2.636
  248    HE1  TYR  29           HE2      TYR  29  -8.660 -12.486   1.394
  249    HE2  TYR  29           HE1      TYR  29  -7.971 -12.267  -2.838
  250    HH   TYR  29           HH       TYR  29  -9.311 -10.682  -0.138
  251    H    TYR  30           H        TYR  30  -4.368 -12.495   1.580
  252    HA   TYR  30           HA       TYR  30  -4.819 -10.455  -0.150
  253   1HB   TYR  30          2HB       TYR  30  -4.551  -9.739   2.054
  254   2HB   TYR  30          1HB       TYR  30  -3.029 -10.601   2.259
  255    HD1  TYR  30           HD1      TYR  30  -4.294  -8.082  -0.233
  256    HD2  TYR  30           HD2      TYR  30  -1.260  -9.133   2.623
  257    HE1  TYR  30           HE1      TYR  30  -3.038  -6.021  -0.806
  258    HE2  TYR  30           HE2      TYR  30  -0.005  -7.073   2.048
  259    HH   TYR  30           HH       TYR  30   0.104  -5.298   0.720
  260    H    GLY  31           H        GLY  31  -3.670  -9.191  -1.622
  261   1HA   GLY  31          2HA       GLY  31  -0.873  -9.987  -2.236
  262   2HA   GLY  31          1HA       GLY  31  -2.073  -9.951  -3.535
  263    H    GLU  32           H        GLU  32   0.397  -8.194  -2.558
  264    HA   GLU  32           HA       GLU  32  -0.801  -5.567  -2.255
  265   1HB   GLU  32          2HB       GLU  32   1.304  -4.914  -1.730
  266   2HB   GLU  32          1HB       GLU  32   1.694  -6.628  -1.760
  267   1HG   GLU  32          2HG       GLU  32   1.974  -4.701  -4.088
  268   2HG   GLU  32          1HG       GLU  32   3.296  -5.365  -3.130
  269    H    ASN  33           H        ASN  33  -0.759  -7.558  -4.868
  270    HA   ASN  33           HA       ASN  33   0.114  -5.805  -6.964
  271   1HB   ASN  33          2HB       ASN  33  -1.563  -7.274  -8.348
  272   2HB   ASN  33          1HB       ASN  33  -0.109  -8.017  -7.687
  273   1HD2  ASN  33          2HD2      ASN  33  -2.460 -10.424  -6.450
  274   2HD2  ASN  33          1HD2      ASN  33  -1.359 -10.107  -7.704
  275    H    LEU  34           H        LEU  34  -1.775  -5.295  -8.731
  276    HA   LEU  34           HA       LEU  34  -3.397  -3.287  -7.372
  277   1HB   LEU  34          2HB       LEU  34  -3.564  -4.024 -10.296
  278   2HB   LEU  34          1HB       LEU  34  -3.978  -2.484  -9.536
  279    HG   LEU  34           HG       LEU  34  -1.184  -3.634  -9.483
  280   1HD1  LEU  34          3HD1      LEU  34  -2.571  -1.871 -11.500
  281   2HD1  LEU  34          2HD1      LEU  34  -0.833  -1.737 -11.231
  282   3HD1  LEU  34          1HD1      LEU  34  -1.524  -3.261 -11.787
  283   1HD2  LEU  34          1HD2      LEU  34  -2.490  -1.004  -8.791
  284   2HD2  LEU  34          3HD2      LEU  34  -1.465  -2.019  -7.777
  285   3HD2  LEU  34          2HD2      LEU  34  -0.761  -1.110  -9.115
  286    H    ASP  35           H        ASP  35  -3.824  -6.524  -8.343
  287    HA   ASP  35           HA       ASP  35  -6.728  -6.318  -8.648
  288   1HB   ASP  35          2HB       ASP  35  -6.205  -8.982  -8.222
  289   2HB   ASP  35          1HB       ASP  35  -6.305  -8.207  -9.798
  290    H    ALA  36           H        ALA  36  -4.612  -8.005  -6.296
  291    HA   ALA  36           HA       ALA  36  -6.788  -8.530  -4.495
  292   1HB   ALA  36          1HB       ALA  36  -3.800  -8.577  -4.046
  293   2HB   ALA  36          3HB       ALA  36  -4.994  -9.174  -2.891
  294   3HB   ALA  36          2HB       ALA  36  -4.825  -9.953  -4.464
  295    H    LEU  37           H        LEU  37  -4.181  -6.149  -4.405
  296    HA   LEU  37           HA       LEU  37  -4.937  -4.951  -1.928
  297   1HB   LEU  37          2HB       LEU  37  -2.788  -4.517  -3.142
  298   2HB   LEU  37          1HB       LEU  37  -3.703  -3.541  -4.293
  299    HG   LEU  37           HG       LEU  37  -4.540  -2.639  -1.778
  300   1HD1  LEU  37          2HD1      LEU  37  -1.664  -3.452  -1.804
  301   2HD1  LEU  37          1HD1      LEU  37  -2.078  -1.917  -1.038
  302   3HD1  LEU  37          3HD1      LEU  37  -2.811  -3.416  -0.464
  303   1HD2  LEU  37          1HD2      LEU  37  -2.891  -1.658  -4.051
  304   2HD2  LEU  37          3HD2      LEU  37  -4.354  -0.983  -3.345
  305   3HD2  LEU  37          2HD2      LEU  37  -2.799  -0.724  -2.554
  306    H    TRP  38           H        TRP  38  -5.622  -3.820  -5.251
  307    HA   TRP  38           HA       TRP  38  -7.456  -1.788  -4.536
  308   1HB   TRP  38          2HB       TRP  38  -6.598  -2.102  -6.841
  309   2HB   TRP  38          1HB       TRP  38  -7.443  -3.634  -6.930
  310    HD1  TRP  38           HD1      TRP  38  -9.607  -3.606  -8.031
  311    HE1  TRP  38           HE1      TRP  38 -11.422  -1.871  -8.625
  312    HE3  TRP  38           HE3      TRP  38  -7.649   0.549  -5.776
  313    HZ2  TRP  38           HZ2      TRP  38 -11.950   0.903  -8.218
  314    HZ3  TRP  38           HZ3      TRP  38  -8.814   2.715  -5.921
  315    HH2  TRP  38           HH2      TRP  38 -10.967   2.900  -7.130
  316    H    ASP  39           H        ASP  39  -7.876  -5.223  -5.098
  317    HA   ASP  39           HA       ASP  39 -10.690  -5.375  -4.809
  318   1HB   ASP  39          2HB       ASP  39  -8.416  -7.243  -4.525
  319   2HB   ASP  39          1HB       ASP  39  -9.868  -7.693  -3.633
  320    H    ALA  40           H        ALA  40  -8.136  -5.092  -2.459
  321    HA   ALA  40           HA       ALA  40  -9.937  -5.527  -0.181
  322   1HB   ALA  40          1HB       ALA  40  -7.415  -6.063  -0.243
  323   2HB   ALA  40          3HB       ALA  40  -7.174  -4.332  -0.008
  324   3HB   ALA  40          2HB       ALA  40  -8.045  -5.274   1.204
  325    H    LEU  41           H        LEU  41  -7.788  -2.755  -0.892
  326    HA   LEU  41           HA       LEU  41  -8.891  -0.820   0.677
  327   1HB   LEU  41          2HB       LEU  41  -7.917  -0.628  -2.156
  328   2HB   LEU  41          1HB       LEU  41  -8.527   0.801  -1.322
  329    HG   LEU  41           HG       LEU  41  -6.515  -0.907   0.080
  330   1HD1  LEU  41          1HD1      LEU  41  -5.743  -0.481  -2.321
  331   2HD1  LEU  41          3HD1      LEU  41  -5.723   1.234  -1.909
  332   3HD1  LEU  41          2HD1      LEU  41  -4.665   0.106  -1.053
  333   1HD2  LEU  41          3HD2      LEU  41  -7.806   1.495   0.613
  334   2HD2  LEU  41          2HD2      LEU  41  -6.370   0.880   1.437
  335   3HD2  LEU  41          1HD2      LEU  41  -6.200   1.991   0.077
  336    H    THR  42           H        THR  42 -10.111  -1.623  -2.519
  337    HA   THR  42           HA       THR  42 -12.522  -0.006  -2.124
  338    HB   THR  42           HB       THR  42 -12.947  -0.353  -4.378
  339    HG1  THR  42           HG1      THR  42 -12.734  -2.260  -5.330
  340   1HG2  THR  42          2HG2      THR  42 -10.267   0.039  -3.691
  341   2HG2  THR  42          1HG2      THR  42 -10.220  -1.204  -4.939
  342   3HG2  THR  42          3HG2      THR  42 -10.997   0.345  -5.266
  343    H    GLY  43           H        GLY  43 -12.399  -1.946  -0.114
  344   1HA   GLY  43          2HA       GLY  43 -14.823  -3.024   0.200
  345   2HA   GLY  43          1HA       GLY  43 -14.168  -4.154  -0.986
  346    H    TRP  44           H        TRP  44 -12.311  -2.611   1.640
  347    HA   TRP  44           HA       TRP  44 -12.462  -4.910   3.395
  348   1HB   TRP  44          2HB       TRP  44 -11.071  -5.950   1.659
  349   2HB   TRP  44          1HB       TRP  44  -9.944  -4.592   1.734
  350    HD1  TRP  44           HD1      TRP  44  -8.862  -4.155   4.284
  351    HE1  TRP  44           HE1      TRP  44  -8.030  -5.921   5.972
  352    HE3  TRP  44           HE3      TRP  44 -11.265  -8.290   2.495
  353    HZ2  TRP  44           HZ2      TRP  44  -8.346  -8.722   6.492
  354    HZ3  TRP  44           HZ3      TRP  44 -10.985 -10.489   3.602
  355    HH2  TRP  44           HH2      TRP  44  -9.528 -10.709   5.596
  356    H    VAL  45           H        VAL  45 -10.632  -2.149   2.258
  357    HA   VAL  45           HA       VAL  45  -9.383  -1.601   4.821
  358    HB   VAL  45           HB       VAL  45  -9.643  -0.201   2.175
  359   1HG1  VAL  45          1HG1      VAL  45  -8.410   0.939   4.682
  360   2HG1  VAL  45          3HG1      VAL  45  -8.269   1.629   3.066
  361   3HG1  VAL  45          2HG1      VAL  45  -9.845   1.546   3.853
  362   1HG2  VAL  45          2HG2      VAL  45  -7.557  -1.634   3.744
  363   2HG2  VAL  45          1HG2      VAL  45  -7.854  -1.640   2.006
  364   3HG2  VAL  45          3HG2      VAL  45  -7.018  -0.279   2.754
  365    H    GLU  46           H        GLU  46  -9.797   0.618   5.867
  366    HA   GLU  46           HA       GLU  46 -12.702   1.306   5.739
  367   1HB   GLU  46          2HB       GLU  46 -10.927   0.963   8.171
  368   2HB   GLU  46          1HB       GLU  46 -12.478   1.803   8.231
  369   1HG   GLU  46          2HG       GLU  46 -13.698  -0.127   7.870
  370   2HG   GLU  46          1HG       GLU  46 -12.399  -0.904   6.965
  371    H    TYR  47           H        TYR  47 -12.631   3.234   4.697
  372    HA   TYR  47           HA       TYR  47 -10.478   5.157   5.154
  373   1HB   TYR  47          2HB       TYR  47 -13.080   5.518   3.639
  374   2HB   TYR  47          1HB       TYR  47 -11.603   6.468   3.451
  375    HD1  TYR  47           HD2      TYR  47  -9.458   4.534   3.421
  376    HD2  TYR  47           HD1      TYR  47 -13.388   4.236   1.709
  377    HE1  TYR  47           HE2      TYR  47  -8.603   2.893   1.760
  378    HE2  TYR  47           HE1      TYR  47 -12.537   2.601   0.049
  379    HH   TYR  47           HH       TYR  47  -9.580   1.058   0.356
  380    HA   PRO  48           HA       PRO  48 -10.786   7.596   4.564
  381   1HB   PRO  48          2HB       PRO  48  -9.559   9.468   6.163
  382   2HB   PRO  48          1HB       PRO  48 -11.095   9.736   5.315
  383   1HG   PRO  48          2HG       PRO  48 -10.617   9.168   8.213
  384   2HG   PRO  48          1HG       PRO  48 -11.915  10.103   7.449
  385   1HD   PRO  48          2HD       PRO  48 -12.186   7.487   8.408
  386   2HD   PRO  48          1HD       PRO  48 -13.272   8.258   7.229
  387    H    LEU  49           H        LEU  49  -8.854   6.734   4.050
  388    HA   LEU  49           HA       LEU  49  -7.237   5.490   6.217
  389   1HB   LEU  49          2HB       LEU  49  -7.696   3.824   4.655
  390   2HB   LEU  49          1HB       LEU  49  -7.678   4.954   3.302
  391    HG   LEU  49           HG       LEU  49  -5.195   5.175   3.602
  392   1HD1  LEU  49          2HD1      LEU  49  -5.764   3.816   6.017
  393   2HD1  LEU  49          1HD1      LEU  49  -4.850   2.682   5.021
  394   3HD1  LEU  49          3HD1      LEU  49  -4.178   4.267   5.394
  395   1HD2  LEU  49          3HD2      LEU  49  -6.720   2.987   2.549
  396   2HD2  LEU  49          2HD2      LEU  49  -5.196   3.653   1.956
  397   3HD2  LEU  49          1HD2      LEU  49  -5.189   2.372   3.171
  398    H    VAL  50           H        VAL  50  -4.910   5.805   6.189
  399    HA   VAL  50           HA       VAL  50  -4.046   8.227   4.660
  400    HB   VAL  50           HB       VAL  50  -3.873   7.580   7.553
  401   1HG1  VAL  50          2HG1      VAL  50  -1.516   8.649   5.994
  402   2HG1  VAL  50          1HG1      VAL  50  -1.766   9.063   7.691
  403   3HG1  VAL  50          3HG1      VAL  50  -1.533   7.380   7.218
  404   1HG2  VAL  50          1HG2      VAL  50  -5.081   9.509   6.269
  405   2HG2  VAL  50          3HG2      VAL  50  -4.249   9.877   7.779
  406   3HG2  VAL  50          2HG2      VAL  50  -3.480  10.251   6.236
  407    H    LEU  51           H        LEU  51  -2.945   7.117   3.007
  408    HA   LEU  51           HA       LEU  51  -1.148   4.891   3.684
  409   1HB   LEU  51          2HB       LEU  51  -2.447   5.025   1.509
  410   2HB   LEU  51          1HB       LEU  51  -1.384   6.358   1.048
  411    HG   LEU  51           HG       LEU  51   0.558   4.731   1.569
  412   1HD1  LEU  51          1HD1      LEU  51  -1.834   2.958   1.645
  413   2HD1  LEU  51          3HD1      LEU  51  -0.326   2.333   0.968
  414   3HD1  LEU  51          2HD1      LEU  51  -0.368   2.913   2.638
  415   1HD2  LEU  51          2HD2      LEU  51  -1.318   4.434  -0.768
  416   2HD2  LEU  51          1HD2      LEU  51   0.189   5.355  -0.686
  417   3HD2  LEU  51          3HD2      LEU  51   0.230   3.592  -0.686
  418    H    GLU  52           H        GLU  52  -0.007   6.629   5.202
  419    HA   GLU  52           HA       GLU  52   1.677   8.610   3.985
  420   1HB   GLU  52          2HB       GLU  52   1.279   8.740   6.357
  421   2HB   GLU  52          1HB       GLU  52   1.877   7.097   6.605
  422   1HG   GLU  52          2HG       GLU  52   4.121   7.732   6.102
  423   2HG   GLU  52          1HG       GLU  52   3.612   9.290   5.452
  424    H    TRP  53           H        TRP  53   2.612   7.442   2.131
  425    HA   TRP  53           HA       TRP  53   4.277   5.106   2.665
  426   1HB   TRP  53          2HB       TRP  53   3.018   5.763   0.452
  427   2HB   TRP  53          1HB       TRP  53   4.487   6.690   0.127
  428    HD1  TRP  53           HD1      TRP  53   6.828   5.072   0.796
  429    HE1  TRP  53           HE1      TRP  53   7.283   2.690  -0.080
  430    HE3  TRP  53           HE3      TRP  53   2.096   3.703  -0.517
  431    HZ2  TRP  53           HZ2      TRP  53   5.823   0.503  -1.192
  432    HZ3  TRP  53           HZ3      TRP  53   1.652   1.476  -1.491
  433    HH2  TRP  53           HH2      TRP  53   3.510  -0.135  -1.828
  434    H    ARG  54           H        ARG  54   6.035   5.642   3.967
  435    HA   ARG  54           HA       ARG  54   7.455   8.134   3.806
  436   1HB   ARG  54          2HB       ARG  54   8.558   5.516   4.850
  437   2HB   ARG  54          1HB       ARG  54   9.021   7.149   5.332
  438   1HG   ARG  54          2HG       ARG  54   6.197   6.910   5.670
  439   2HG   ARG  54          1HG       ARG  54   6.951   5.507   6.427
  440   1HD   ARG  54          2HD       ARG  54   7.516   8.428   6.976
  441   2HD   ARG  54          1HD       ARG  54   6.896   7.220   8.101
  442    HE   ARG  54           HE       ARG  54   9.182   6.098   7.838
  443   1HH1  ARG  54          1HH1      ARG  54  11.458   8.795   6.859
  444   2HH1  ARG  54          2HH1      ARG  54  10.750   7.462   6.010
  445   1HH2  ARG  54          1HH2      ARG  54   9.186   8.677   9.476
  446   2HH2  ARG  54          2HH2      ARG  54  10.573   9.483   8.823
  447    H    GLN  55           H        GLN  55   8.696   8.763   2.125
  448    HA   GLN  55           HA       GLN  55  10.449   8.689   0.558
  449   1HB   GLN  55          2HB       GLN  55  11.453   7.014   2.205
  450   2HB   GLN  55          1HB       GLN  55  10.761   5.753   1.190
  451   1HG   GLN  55          2HG       GLN  55  13.122   6.261   0.583
  452   2HG   GLN  55          1HG       GLN  55  12.006   6.577  -0.746
  453   1HE2  GLN  55          2HE2      GLN  55  13.590   9.747  -0.959
  454   2HE2  GLN  55          1HE2      GLN  55  13.363   8.239  -1.705
  455    H    PHE  56           H        PHE  56   9.193   5.354   0.266
  456    HA   PHE  56           HA       PHE  56   7.719   4.468  -1.367
  457   1HB   PHE  56          2HB       PHE  56   6.772   6.824  -1.592
  458   2HB   PHE  56          1HB       PHE  56   7.950   7.080  -2.875
  459    HD1  PHE  56           HD2      PHE  56   6.112   3.932  -2.084
  460    HD2  PHE  56           HD1      PHE  56   6.591   7.216  -4.808
  461    HE1  PHE  56           HE2      PHE  56   4.617   2.809  -3.701
  462    HE2  PHE  56           HE1      PHE  56   5.094   6.092  -6.425
  463    HZ   PHE  56           HZ       PHE  56   4.105   3.885  -5.874
  464    H    GLU  57           H        GLU  57   9.700   6.679  -3.351
  465    HA   GLU  57           HA       GLU  57  10.405   4.888  -5.341
  466   1HB   GLU  57          2HB       GLU  57  11.020   7.381  -5.094
  467   2HB   GLU  57          1HB       GLU  57  12.444   6.809  -4.223
  468   1HG   GLU  57          2HG       GLU  57  13.304   6.823  -6.366
  469   2HG   GLU  57          1HG       GLU  57  12.631   5.193  -6.339
  470    H    GLN  58           H        GLN  58  11.573   4.896  -2.060
  471    HA   GLN  58           HA       GLN  58  14.001   3.458  -2.419
  472   1HB   GLN  58          2HB       GLN  58  13.430   2.614  -0.018
  473   2HB   GLN  58          1HB       GLN  58  13.693   4.340  -0.267
  474   1HG   GLN  58          2HG       GLN  58  11.372   4.812  -0.237
  475   2HG   GLN  58          1HG       GLN  58  10.940   3.120  -0.463
  476   1HE2  GLN  58          2HE2      GLN  58  12.660   3.443   3.185
  477   2HE2  GLN  58          1HE2      GLN  58  13.555   3.661   1.761
  478    H    SER  59           H        SER  59  11.909   1.534  -0.481
  479    HA   SER  59           HA       SER  59  12.426  -0.933  -1.446
  480   1HB   SER  59          2HB       SER  59  10.870  -0.634   0.385
  481   2HB   SER  59          1HB       SER  59   9.688   0.116  -0.691
  482    HG   SER  59           HG       SER  59   9.363  -1.820  -1.677
  483    H    LYS  60           H        LYS  60  10.397   1.420  -3.063
  484    HA   LYS  60           HA       LYS  60   9.008  -0.007  -4.965
  485   1HB   LYS  60          2HB       LYS  60   9.252   2.524  -4.707
  486   2HB   LYS  60          1HB       LYS  60  10.713   2.375  -5.695
  487   1HG   LYS  60          2HG       LYS  60   9.073   0.999  -7.279
  488   2HG   LYS  60          1HG       LYS  60   7.845   1.972  -6.465
  489   1HD   LYS  60          2HD       LYS  60   8.425   3.814  -7.625
  490   2HD   LYS  60          1HD       LYS  60  10.130   3.598  -7.227
  491   1HE   LYS  60          2HE       LYS  60  10.502   2.179  -9.089
  492   2HE   LYS  60          1HE       LYS  60   8.776   1.910  -9.332
  493   1HZ   LYS  60          1HZ       LYS  60   9.496   4.680  -9.432
  494   2HZ   LYS  60          3HZ       LYS  60  10.293   3.764 -10.615
  495   3HZ   LYS  60          2HZ       LYS  60   8.597   3.754 -10.536
  496    H    GLN  61           H        GLN  61  12.244   1.295  -5.721
  497    HA   GLN  61           HA       GLN  61  12.629  -0.414  -7.989
  498   1HB   GLN  61          2HB       GLN  61  13.842   1.816  -7.135
  499   2HB   GLN  61          1HB       GLN  61  14.985   0.633  -6.499
  500   1HG   GLN  61          2HG       GLN  61  15.855   0.336  -8.552
  501   2HG   GLN  61          1HG       GLN  61  14.270  -0.127  -9.172
  502   1HE2  GLN  61          1HE2      GLN  61  15.625   1.242 -11.026
  503   2HE2  GLN  61          2HE2      GLN  61  15.158   2.870 -11.113
  504    H    LEU  62           H        LEU  62  12.957  -0.939  -4.655
  505    HA   LEU  62           HA       LEU  62  14.978  -3.026  -4.791
  506   1HB   LEU  62          2HB       LEU  62  13.013  -2.167  -2.658
  507   2HB   LEU  62          1HB       LEU  62  14.138  -3.506  -2.431
  508    HG   LEU  62           HG       LEU  62  16.024  -2.102  -2.500
  509   1HD1  LEU  62          1HD1      LEU  62  14.231   0.012  -3.745
  510   2HD1  LEU  62          3HD1      LEU  62  15.915   0.269  -3.287
  511   3HD1  LEU  62          2HD1      LEU  62  15.513  -0.885  -4.558
  512   1HD2  LEU  62          1HD2      LEU  62  14.253  -1.680  -0.592
  513   2HD2  LEU  62          3HD2      LEU  62  15.661  -0.628  -0.734
  514   3HD2  LEU  62          2HD2      LEU  62  14.099  -0.101  -1.364
  515    H    THR  63           H        THR  63  11.892  -2.940  -5.936
  516    HA   THR  63           HA       THR  63  11.636  -5.894  -5.660
  517    HB   THR  63           HB       THR  63  10.103  -4.714  -4.059
  518    HG1  THR  63           HG1      THR  63   9.625  -6.754  -5.154
  519   1HG2  THR  63          2HG2      THR  63   9.372  -3.336  -6.571
  520   2HG2  THR  63          1HG2      THR  63   8.028  -3.793  -5.524
  521   3HG2  THR  63          3HG2      THR  63   9.315  -2.757  -4.908
  522    H    GLU  64           H        GLU  64   8.917  -5.259  -7.165
  523    HA   GLU  64           HA       GLU  64  10.001  -4.432  -9.778
  524   1HB   GLU  64          2HB       GLU  64   8.959  -6.515 -10.825
  525   2HB   GLU  64          1HB       GLU  64  10.441  -6.788  -9.909
  526   1HG   GLU  64          2HG       GLU  64   8.032  -6.919  -8.246
  527   2HG   GLU  64          1HG       GLU  64   8.053  -8.134  -9.524
  528    H    ASN  65           H        ASN  65   8.425  -2.732  -8.857
  529    HA   ASN  65           HA       ASN  65   6.397  -1.628  -9.381
  530   1HB   ASN  65          2HB       ASN  65   6.383  -3.761 -11.159
  531   2HB   ASN  65          1HB       ASN  65   4.884  -3.974 -10.256
  532   1HD2  ASN  65          2HD2      ASN  65   5.356  -0.573 -12.525
  533   2HD2  ASN  65          1HD2      ASN  65   6.731  -1.421 -12.009
  534    H    GLY  66           H        GLY  66   7.076  -2.995  -6.883
  535   1HA   GLY  66          2HA       GLY  66   4.544  -4.159  -5.929
  536   2HA   GLY  66          1HA       GLY  66   6.015  -3.947  -4.971
  537    H    ALA  67           H        ALA  67   6.562  -1.308  -5.137
  538    HA   ALA  67           HA       ALA  67   4.444  -0.121  -3.515
  539   1HB   ALA  67          2HB       ALA  67   7.006   0.240  -3.308
  540   2HB   ALA  67          1HB       ALA  67   6.813   1.366  -4.651
  541   3HB   ALA  67          3HB       ALA  67   5.964   1.651  -3.132
  542    H    GLU  68           H        GLU  68   5.742   0.381  -6.793
  543    HA   GLU  68           HA       GLU  68   4.166   2.652  -7.429
  544   1HB   GLU  68          2HB       GLU  68   6.123   1.298  -8.720
  545   2HB   GLU  68          1HB       GLU  68   4.713   0.714  -9.604
  546   1HG   GLU  68          2HG       GLU  68   4.004   3.168  -9.800
  547   2HG   GLU  68          1HG       GLU  68   5.633   3.571  -9.253
  548    H    SER  69           H        SER  69   3.487  -0.809  -7.561
  549    HA   SER  69           HA       SER  69   0.951  -0.460  -8.948
  550   1HB   SER  69          2HB       SER  69   1.866  -2.599  -9.271
  551   2HB   SER  69          1HB       SER  69   2.347  -2.750  -7.584
  552    HG   SER  69           HG       SER  69   0.383  -3.926  -8.388
  553    H    VAL  70           H        VAL  70   1.795  -1.356  -5.567
  554    HA   VAL  70           HA       VAL  70  -0.808  -1.343  -4.537
  555    HB   VAL  70           HB       VAL  70   1.676  -0.242  -3.171
  556   1HG1  VAL  70          2HG1      VAL  70  -1.018  -0.203  -2.377
  557   2HG1  VAL  70          1HG1      VAL  70  -0.301  -1.547  -1.486
  558   3HG1  VAL  70          3HG1      VAL  70   0.387   0.072  -1.345
  559   1HG2  VAL  70          2HG2      VAL  70   1.211  -2.840  -4.092
  560   2HG2  VAL  70          1HG2      VAL  70   2.372  -2.378  -2.848
  561   3HG2  VAL  70          3HG2      VAL  70   0.754  -2.908  -2.391
  562    H    LEU  71           H        LEU  71   1.255   1.198  -5.657
  563    HA   LEU  71           HA       LEU  71  -0.382   3.236  -4.417
  564   1HB   LEU  71          2HB       LEU  71   2.165   3.174  -5.769
  565   2HB   LEU  71          1HB       LEU  71   1.150   4.476  -6.397
  566    HG   LEU  71           HG       LEU  71   2.213   5.471  -4.565
  567   1HD1  LEU  71          1HD1      LEU  71  -0.414   5.370  -4.465
  568   2HD1  LEU  71          3HD1      LEU  71  -0.093   4.428  -3.007
  569   3HD1  LEU  71          2HD1      LEU  71   0.511   6.082  -3.141
  570   1HD2  LEU  71          2HD2      LEU  71   2.770   2.927  -3.784
  571   2HD2  LEU  71          1HD2      LEU  71   3.092   4.351  -2.792
  572   3HD2  LEU  71          3HD2      LEU  71   1.613   3.419  -2.549
  573    H    GLN  72           H        GLN  72  -0.030   1.804  -7.651
  574    HA   GLN  72           HA       GLN  72  -1.694   3.628  -9.031
  575   1HB   GLN  72          2HB       GLN  72  -1.068   0.721  -9.333
  576   2HB   GLN  72          1HB       GLN  72  -2.460   1.351 -10.216
  577   1HG   GLN  72          2HG       GLN  72   0.314   2.568 -10.322
  578   2HG   GLN  72          1HG       GLN  72  -0.328   1.456 -11.532
  579   1HE2  GLN  72          2HE2      GLN  72  -2.945   3.942 -12.436
  580   2HE2  GLN  72          1HE2      GLN  72  -2.932   2.333 -11.894
  581    H    VAL  73           H        VAL  73  -2.394   0.992  -6.881
  582    HA   VAL  73           HA       VAL  73  -5.295   1.207  -7.155
  583    HB   VAL  73           HB       VAL  73  -3.585  -0.252  -5.135
  584   1HG1  VAL  73          3HG1      VAL  73  -5.955   0.261  -4.450
  585   2HG1  VAL  73          2HG1      VAL  73  -6.481  -0.646  -5.862
  586   3HG1  VAL  73          1HG1      VAL  73  -5.590  -1.459  -4.585
  587   1HG2  VAL  73          1HG2      VAL  73  -4.390  -0.701  -7.911
  588   2HG2  VAL  73          3HG2      VAL  73  -3.136  -1.504  -6.961
  589   3HG2  VAL  73          2HG2      VAL  73  -4.817  -2.047  -6.849
  590    H    PHE  74           H        PHE  74  -3.114   1.781  -4.360
  591    HA   PHE  74           HA       PHE  74  -4.927   2.856  -2.595
  592   1HB   PHE  74          2HB       PHE  74  -2.020   3.157  -3.102
  593   2HB   PHE  74          1HB       PHE  74  -2.767   4.431  -2.153
  594    HD1  PHE  74           HD2      PHE  74  -4.730   3.278  -0.500
  595    HD2  PHE  74           HD1      PHE  74  -1.007   1.553  -1.758
  596    HE1  PHE  74           HE2      PHE  74  -4.764   1.744   1.441
  597    HE2  PHE  74           HE1      PHE  74  -1.059   0.021   0.191
  598    HZ   PHE  74           HZ       PHE  74  -2.957   0.129   1.782
  599    H    ARG  75           H        ARG  75  -2.922   4.605  -4.923
  600    HA   ARG  75           HA       ARG  75  -4.224   7.124  -4.675
  601   1HB   ARG  75          2HB       ARG  75  -2.583   5.817  -6.831
  602   2HB   ARG  75          1HB       ARG  75  -3.393   7.348  -7.161
  603   1HG   ARG  75          2HG       ARG  75  -2.141   8.508  -5.567
  604   2HG   ARG  75          1HG       ARG  75  -1.765   7.045  -4.657
  605   1HD   ARG  75          2HD       ARG  75   0.223   7.825  -5.874
  606   2HD   ARG  75          1HD       ARG  75  -0.319   6.272  -6.510
  607    HE   ARG  75           HE       ARG  75  -0.399   8.839  -7.929
  608   1HH1  ARG  75          2HH1      ARG  75  -0.211   5.573  -8.338
  609   2HH1  ARG  75          1HH1      ARG  75  -1.314   5.469  -9.670
  610   1HH2  ARG  75          1HH2      ARG  75  -2.422   8.739  -9.351
  611   2HH2  ARG  75          2HH2      ARG  75  -2.566   7.262 -10.243
  612    H    GLU  76           H        GLU  76  -4.881   4.321  -6.845
  613    HA   GLU  76           HA       GLU  76  -6.926   5.563  -8.395
  614   1HB   GLU  76          2HB       GLU  76  -6.240   2.761  -7.648
  615   2HB   GLU  76          1HB       GLU  76  -7.861   3.051  -8.283
  616   1HG   GLU  76          2HG       GLU  76  -5.387   4.099  -9.657
  617   2HG   GLU  76          1HG       GLU  76  -6.053   2.504 -10.005
  618    H    ALA  77           H        ALA  77  -6.943   4.419  -5.121
  619    HA   ALA  77           HA       ALA  77  -9.863   4.378  -4.902
  620   1HB   ALA  77          2HB       ALA  77  -7.561   4.010  -2.977
  621   2HB   ALA  77          1HB       ALA  77  -9.218   4.154  -2.399
  622   3HB   ALA  77          3HB       ALA  77  -8.775   2.832  -3.472
  623    H    LYS  78           H        LYS  78  -7.234   6.406  -3.530
  624    HA   LYS  78           HA       LYS  78  -8.963   8.365  -2.416
  625   1HB   LYS  78          2HB       LYS  78  -7.002   9.637  -2.123
  626   2HB   LYS  78          1HB       LYS  78  -6.421   7.979  -2.088
  627   1HG   LYS  78          2HG       LYS  78  -4.992   8.553  -3.735
  628   2HG   LYS  78          1HG       LYS  78  -6.395   8.673  -4.799
  629   1HD   LYS  78          2HD       LYS  78  -5.093  10.761  -4.856
  630   2HD   LYS  78          1HD       LYS  78  -6.681  11.043  -4.141
  631   1HE   LYS  78          2HE       LYS  78  -5.705  11.807  -2.265
  632   2HE   LYS  78          1HE       LYS  78  -4.904  10.251  -2.047
  633   1HZ   LYS  78          2HZ       LYS  78  -3.312  11.172  -3.851
  634   2HZ   LYS  78          1HZ       LYS  78  -3.908  12.686  -3.360
  635   3HZ   LYS  78          3HZ       LYS  78  -3.133  11.676  -2.239
  636    H    ALA  79           H        ALA  79  -8.207   7.578  -5.648
  637    HA   ALA  79           HA       ALA  79  -8.799  10.256  -6.741
  638   1HB   ALA  79          1HB       ALA  79  -7.339   8.047  -7.643
  639   2HB   ALA  79          3HB       ALA  79  -8.799   8.034  -8.636
  640   3HB   ALA  79          2HB       ALA  79  -7.763   9.467  -8.598
  641    H    GLU  80           H        GLU  80  -9.991   7.055  -7.623
  642    HA   GLU  80           HA       GLU  80 -12.356   7.730  -8.831
  643   1HB   GLU  80          2HB       GLU  80 -12.033   5.391  -6.936
  644   2HB   GLU  80          1HB       GLU  80 -13.149   5.519  -8.293
  645   1HG   GLU  80          2HG       GLU  80 -10.417   6.055  -9.123
  646   2HG   GLU  80          1HG       GLU  80 -10.575   4.458  -8.391
  647    H    GLY  81           H        GLY  81 -12.309   6.735  -5.353
  648   1HA   GLY  81          2HA       GLY  81 -14.048   8.997  -4.690
  649   2HA   GLY  81          1HA       GLY  81 -14.904   7.454  -4.706
  650    H    ALA  82           H        ALA  82 -12.616   5.914  -3.705
  651    HA   ALA  82           HA       ALA  82 -13.087   5.760  -1.016
  652   1HB   ALA  82          3HB       ALA  82 -11.024   4.878  -2.747
  653   2HB   ALA  82          2HB       ALA  82 -10.236   5.576  -1.330
  654   3HB   ALA  82          1HB       ALA  82 -11.411   4.273  -1.138
  655    H    ASP  83           H        ASP  83 -11.913   6.575   0.888
  656    HA   ASP  83           HA       ASP  83 -11.084   9.418   0.505
  657   1HB   ASP  83          2HB       ASP  83 -12.812   8.098   2.410
  658   2HB   ASP  83          1HB       ASP  83 -11.473   8.874   3.256
  659    H    ILE  84           H        ILE  84  -9.100   7.772  -0.156
  660    HA   ILE  84           HA       ILE  84  -7.467   7.270   2.274
  661    HB   ILE  84           HB       ILE  84  -7.114   6.443  -0.622
  662   1HG1  ILE  84          2HG1      ILE  84  -7.263   4.477   1.571
  663   2HG1  ILE  84          1HG1      ILE  84  -8.745   5.394   1.301
  664   1HG2  ILE  84          1HG2      ILE  84  -4.973   6.923   0.752
  665   2HG2  ILE  84          3HG2      ILE  84  -5.452   5.537   1.733
  666   3HG2  ILE  84          2HG2      ILE  84  -5.113   5.328   0.012
  667   1HD1  ILE  84          2HD1      ILE  84  -7.648   4.643  -1.236
  668   2HD1  ILE  84          1HD1      ILE  84  -7.752   3.208  -0.215
  669   3HD1  ILE  84          3HD1      ILE  84  -9.194   4.175  -0.527
  670    H    THR  85           H        THR  85  -5.354   8.174   2.448
  671    HA   THR  85           HA       THR  85  -4.890  10.560   0.711
  672    HB   THR  85           HB       THR  85  -4.148  10.076   3.615
  673    HG1  THR  85           HG1      THR  85  -5.513  11.883   3.900
  674   1HG2  THR  85          2HG2      THR  85  -3.205  12.053   1.589
  675   2HG2  THR  85          1HG2      THR  85  -3.494  12.637   3.228
  676   3HG2  THR  85          3HG2      THR  85  -2.338  11.336   2.946
  677    H    ILE  86           H        ILE  86  -3.502   9.653  -0.801
  678    HA   ILE  86           HA       ILE  86  -1.392   7.833   0.064
  679    HB   ILE  86           HB       ILE  86  -2.554   8.715  -2.492
  680   1HG1  ILE  86          2HG1      ILE  86  -2.314   6.391  -3.015
  681   2HG1  ILE  86          1HG1      ILE  86  -1.086   6.168  -1.774
  682   1HG2  ILE  86          2HG2      ILE  86  -0.180   9.529  -2.711
  683   2HG2  ILE  86          1HG2      ILE  86   0.361   7.876  -2.422
  684   3HG2  ILE  86          3HG2      ILE  86  -0.599   8.253  -3.852
  685   1HD1  ILE  86          3HD1      ILE  86  -3.377   7.209  -0.459
  686   2HD1  ILE  86          2HD1      ILE  86  -3.946   5.941  -1.540
  687   3HD1  ILE  86          1HD1      ILE  86  -2.712   5.577  -0.329
  688    H    ILE  87           H        ILE  87   0.433   8.526   0.931
  689    HA   ILE  87           HA       ILE  87   1.323  11.316   0.407
  690    HB   ILE  87           HB       ILE  87   2.395   9.289   2.391
  691   1HG1  ILE  87          2HG1      ILE  87   0.001   9.923   2.770
  692   2HG1  ILE  87          1HG1      ILE  87   1.071  10.476   4.059
  693   1HG2  ILE  87          1HG2      ILE  87   3.543  11.626   1.459
  694   2HG2  ILE  87          3HG2      ILE  87   2.702  12.161   2.914
  695   3HG2  ILE  87          2HG2      ILE  87   3.898  10.868   3.011
  696   1HD1  ILE  87          2HD1      ILE  87   1.010  12.486   2.023
  697   2HD1  ILE  87          1HD1      ILE  87  -0.652  12.047   2.415
  698   3HD1  ILE  87          3HD1      ILE  87   0.437  12.600   3.687
  699    H    LEU  88           H        LEU  88   3.173  11.754  -0.751
  700    HA   LEU  88           HA       LEU  88   5.086   9.570  -1.315
  701   1HB   LEU  88          2HB       LEU  88   3.521  11.042  -3.453
  702   2HB   LEU  88          1HB       LEU  88   4.984  10.114  -3.783
  703    HG   LEU  88           HG       LEU  88   2.508   8.985  -2.449
  704   1HD1  LEU  88          3HD1      LEU  88   3.421   9.106  -5.307
  705   2HD1  LEU  88          2HD1      LEU  88   2.528   7.693  -4.747
  706   3HD1  LEU  88          1HD1      LEU  88   1.796   9.295  -4.649
  707   1HD2  LEU  88          1HD2      LEU  88   5.240   8.056  -2.813
  708   2HD2  LEU  88          3HD2      LEU  88   3.935   7.331  -1.874
  709   3HD2  LEU  88          2HD2      LEU  88   4.091   6.969  -3.593
  710    H    SER  89           HN       SER  89   5.997  11.383   0.241
  711    HA   SER  89           HA       SER  89   7.966  12.852  -1.247
  712   1HB   SER  89          2HB       SER  89   5.485  14.155  -1.089
  713   2HB   SER  89          1HB       SER  89   6.481  14.924   0.147
  714    HG   SER  89           HG       SER  89   6.713  14.928  -2.606
   
  No H/Q in entry =         714
  Start of MODEL   15
    1   1H    LYS   1          2H        LYS   1  -8.168   4.918   8.278
    2   2H    LYS   1          1H        LYS   1  -8.967   4.019   9.477
    3   3H    LYS   1          3H        LYS   1  -8.499   5.619   9.790
    4    HA   LYS   1           HA       LYS   1  -6.816   4.539  10.849
    5   1HB   LYS   1          2HB       LYS   1  -7.306   2.425   8.755
    6   2HB   LYS   1          1HB       LYS   1  -5.829   2.411   9.721
    7   1HG   LYS   1          2HG       LYS   1  -7.148   2.365  11.786
    8   2HG   LYS   1          1HG       LYS   1  -8.643   2.449  10.853
    9   1HD   LYS   1          2HD       LYS   1  -8.559   0.248  10.284
   10   2HD   LYS   1          1HD       LYS   1  -6.812   0.283  10.037
   11   1HE   LYS   1          2HE       LYS   1  -7.131  -1.116  11.932
   12   2HE   LYS   1          1HE       LYS   1  -6.616   0.435  12.594
   13   1HZ   LYS   1          2HZ       LYS   1  -9.478   0.067  12.206
   14   2HZ   LYS   1          1HZ       LYS   1  -8.763  -0.848  13.447
   15   3HZ   LYS   1          3HZ       LYS   1  -8.641   0.844  13.463
   16    H    LYS   2           H        LYS   2  -4.505   4.748  10.494
   17    HA   LYS   2           HA       LYS   2  -3.904   5.997   7.853
   18   1HB   LYS   2          2HB       LYS   2  -2.521   7.547   8.890
   19   2HB   LYS   2          1HB       LYS   2  -3.762   7.328  10.120
   20   1HG   LYS   2          2HG       LYS   2  -1.830   7.108  11.392
   21   2HG   LYS   2          1HG       LYS   2  -2.148   5.424  10.980
   22   1HD   LYS   2          2HD       LYS   2   0.037   5.489  10.291
   23   2HD   LYS   2          1HD       LYS   2  -0.683   6.152   8.823
   24   1HE   LYS   2          2HE       LYS   2   1.022   7.696   9.361
   25   2HE   LYS   2          1HE       LYS   2  -0.445   8.453   9.981
   26   1HZ   LYS   2          1HZ       LYS   2   0.493   6.798  11.989
   27   2HZ   LYS   2          3HZ       LYS   2   1.857   7.615  11.396
   28   3HZ   LYS   2          2HZ       LYS   2   0.517   8.496  11.959
   29    H    ALA   3           H        ALA   3  -2.803   4.635   6.581
   30    HA   ALA   3           HA       ALA   3  -1.157   2.489   7.723
   31   1HB   ALA   3          3HB       ALA   3  -2.627   2.663   5.433
   32   2HB   ALA   3          2HB       ALA   3  -1.019   3.041   4.814
   33   3HB   ALA   3          1HB       ALA   3  -1.305   1.518   5.657
   34    H    VAL   4           H        VAL   4   1.140   2.270   7.173
   35    HA   VAL   4           HA       VAL   4   2.469   4.786   6.306
   36    HB   VAL   4           HB       VAL   4   3.126   3.270   8.852
   37   1HG1  VAL   4          3HG1      VAL   4   4.618   5.215   7.184
   38   2HG1  VAL   4          2HG1      VAL   4   4.604   5.553   8.915
   39   3HG1  VAL   4          1HG1      VAL   4   5.222   4.012   8.322
   40   1HG2  VAL   4          3HG2      VAL   4   1.139   4.802   8.940
   41   2HG2  VAL   4          2HG2      VAL   4   2.463   5.323   9.982
   42   3HG2  VAL   4          1HG2      VAL   4   2.189   6.127   8.436
   43    H    ILE   5           H        ILE   5   4.100   4.335   4.904
   44    HA   ILE   5           HA       ILE   5   5.152   1.532   4.884
   45    HB   ILE   5           HB       ILE   5   4.812   3.342   2.488
   46   1HG1  ILE   5          2HG1      ILE   5   3.072   1.018   3.258
   47   2HG1  ILE   5          1HG1      ILE   5   2.707   2.666   3.755
   48   1HG2  ILE   5          1HG2      ILE   5   5.521   0.434   2.899
   49   2HG2  ILE   5          3HG2      ILE   5   4.927   1.036   1.351
   50   3HG2  ILE   5          2HG2      ILE   5   6.436   1.659   2.021
   51   1HD1  ILE   5          3HD1      ILE   5   3.100   1.830   0.880
   52   2HD1  ILE   5          2HD1      ILE   5   1.526   1.938   1.661
   53   3HD1  ILE   5          1HD1      ILE   5   2.513   3.384   1.469
   54    H    ASN   6           H        ASN   6   7.293   1.420   5.249
   55    HA   ASN   6           HA       ASN   6   8.958   3.816   4.605
   56   1HB   ASN   6          2HB       ASN   6   9.785   1.978   6.805
   57   2HB   ASN   6          1HB       ASN   6  10.016   3.723   6.656
   58   1HD2  ASN   6          2HD2      ASN   6   7.309   2.871   9.208
   59   2HD2  ASN   6          1HD2      ASN   6   8.876   2.259   8.992
   60    H    GLY   7           H        GLY   7  10.405   3.283   3.045
   61   1HA   GLY   7          2HA       GLY   7  10.866   0.554   2.263
   62   2HA   GLY   7          1HA       GLY   7  11.759   1.958   1.660
   63    H    GLU   8           H        GLU   8  12.037   2.373   4.836
   64    HA   GLU   8           HA       GLU   8  14.739   1.343   4.908
   65   1HB   GLU   8          2HB       GLU   8  13.755   3.425   6.129
   66   2HB   GLU   8          1HB       GLU   8  13.227   2.259   7.344
   67   1HG   GLU   8          2HG       GLU   8  15.324   2.777   8.179
   68   2HG   GLU   8          1HG       GLU   8  15.743   1.423   7.130
   69    H    GLN   9           H        GLN   9  11.674   0.069   5.609
   70    HA   GLN   9           HA       GLN   9  12.905  -2.176   7.147
   71   1HB   GLN   9          2HB       GLN   9  11.274  -1.069   8.541
   72   2HB   GLN   9          1HB       GLN   9  10.099  -1.044   7.227
   73   1HG   GLN   9          2HG       GLN   9   9.799  -3.405   7.309
   74   2HG   GLN   9          1HG       GLN   9  11.230  -3.626   8.316
   75   1HE2  GLN   9          2HE2      GLN   9   9.367  -3.342  11.276
   76   2HE2  GLN   9          1HE2      GLN   9  10.734  -3.956  10.481
   77    H    ILE  10           H        ILE  10  11.111  -1.213   4.381
   78    HA   ILE  10           HA       ILE  10  10.055  -3.821   3.708
   79    HB   ILE  10           HB       ILE  10  10.662  -1.469   1.894
   80   1HG1  ILE  10          2HG1      ILE  10   9.089  -0.970   3.776
   81   2HG1  ILE  10          1HG1      ILE  10   8.310  -0.884   2.198
   82   1HG2  ILE  10          2HG2      ILE  10   9.028  -3.995   1.562
   83   2HG2  ILE  10          1HG2      ILE  10   8.846  -2.593   0.506
   84   3HG2  ILE  10          3HG2      ILE  10  10.385  -3.453   0.573
   85   1HD1  ILE  10          3HD1      ILE  10   7.884  -3.490   2.760
   86   2HD1  ILE  10          2HD1      ILE  10   7.925  -2.844   4.400
   87   3HD1  ILE  10          1HD1      ILE  10   6.760  -2.217   3.234
   88    H    ARG  11           H        ARG  11  11.508  -5.445   3.531
   89    HA   ARG  11           HA       ARG  11  14.230  -5.098   2.621
   90   1HB   ARG  11          2HB       ARG  11  13.023  -7.788   2.299
   91   2HB   ARG  11          1HB       ARG  11  14.504  -7.311   3.133
   92   1HG   ARG  11          2HG       ARG  11  12.974  -6.279   4.916
   93   2HG   ARG  11          1HG       ARG  11  11.668  -7.185   4.144
   94   1HD   ARG  11          2HD       ARG  11  13.982  -8.884   4.550
   95   2HD   ARG  11          1HD       ARG  11  13.477  -8.153   6.074
   96    HE   ARG  11           HE       ARG  11  11.466  -9.531   4.353
   97   1HH1  ARG  11          1HH2      ARG  11  11.501  -8.274   7.306
   98   2HH1  ARG  11          2HH2      ARG  11  11.275  -9.739   8.203
   99   1HH2  ARG  11          2HH1      ARG  11  11.915 -11.809   5.497
  100   2HH2  ARG  11          1HH1      ARG  11  11.510 -11.739   7.180
  101    H    SER  12           H        SER  12  11.295  -6.405   1.100
  102    HA   SER  12           HA       SER  12  11.981  -5.375  -1.494
  103   1HB   SER  12          2HB       SER  12  12.556  -7.484  -2.637
  104   2HB   SER  12          1HB       SER  12  13.738  -7.100  -1.389
  105    HG   SER  12           HG       SER  12  11.528  -8.618  -0.640
  106    H    ILE  13           H        ILE  13   9.639  -5.123  -0.322
  107    HA   ILE  13           HA       ILE  13   7.379  -5.330  -0.932
  108    HB   ILE  13           HB       ILE  13   8.555  -6.506  -3.080
  109   1HG1  ILE  13          2HG1      ILE  13   6.332  -6.546  -4.069
  110   2HG1  ILE  13          1HG1      ILE  13   5.589  -6.611  -2.470
  111   1HG2  ILE  13          2HG2      ILE  13   8.239  -8.730  -1.637
  112   2HG2  ILE  13          1HG2      ILE  13   6.611  -8.639  -2.306
  113   3HG2  ILE  13          3HG2      ILE  13   8.004  -8.728  -3.383
  114   1HD1  ILE  13          3HD1      ILE  13   7.451  -4.354  -3.170
  115   2HD1  ILE  13          2HD1      ILE  13   5.766  -4.304  -3.692
  116   3HD1  ILE  13          1HD1      ILE  13   6.154  -4.392  -1.975
  117    H    SER  14           H        SER  14   9.205  -8.176   0.120
  118    HA   SER  14           HA       SER  14   7.035  -9.698   1.129
  119   1HB   SER  14          2HB       SER  14   8.671 -10.765   2.585
  120   2HB   SER  14          1HB       SER  14   9.421 -10.474   1.018
  121    HG   SER  14           HG       SER  14  10.824  -9.744   2.572
  122    H    ASP  15           H        ASP  15   8.833  -6.982   2.505
  123    HA   ASP  15           HA       ASP  15   7.346  -7.049   5.014
  124   1HB   ASP  15          2HB       ASP  15   9.642  -5.644   3.902
  125   2HB   ASP  15          1HB       ASP  15   8.575  -4.557   4.787
  126    H    LEU  16           H        LEU  16   7.097  -5.500   1.936
  127    HA   LEU  16           HA       LEU  16   5.386  -3.320   2.624
  128   1HB   LEU  16          2HB       LEU  16   6.547  -3.724   0.396
  129   2HB   LEU  16          1HB       LEU  16   5.296  -4.908   0.048
  130    HG   LEU  16           HG       LEU  16   3.788  -3.301  -0.491
  131   1HD1  LEU  16          3HD1      LEU  16   4.799  -1.720   1.893
  132   2HD1  LEU  16          2HD1      LEU  16   3.492  -1.183   0.838
  133   3HD1  LEU  16          1HD1      LEU  16   3.305  -2.651   1.796
  134   1HD2  LEU  16          3HD2      LEU  16   5.854  -2.504  -1.607
  135   2HD2  LEU  16          2HD2      LEU  16   4.754  -1.180  -1.221
  136   3HD2  LEU  16          1HD2      LEU  16   6.177  -1.468  -0.217
  137    H    HIS  17           H        HIS  17   4.625  -6.608   1.468
  138    HA   HIS  17           HA       HIS  17   1.815  -6.419   1.585
  139   1HB   HIS  17          2HB       HIS  17   3.589  -8.803   2.175
  140   2HB   HIS  17          1HB       HIS  17   1.866  -8.891   1.802
  141    HD1  HIS  17           HD1      HIS  17   2.120 -10.146  -0.410
  142    HD2  HIS  17           HD2      HIS  17   4.332  -6.611  -0.319
  143    HE1  HIS  17           HE1      HIS  17   2.964  -9.765  -2.766
  144    H    GLN  18           H        GLN  18   4.172  -6.807   4.102
  145    HA   GLN  18           HA       GLN  18   2.206  -7.564   6.122
  146   1HB   GLN  18          2HB       GLN  18   5.031  -6.575   6.558
  147   2HB   GLN  18          1HB       GLN  18   4.042  -7.497   7.691
  148   1HG   GLN  18          2HG       GLN  18   3.942  -9.203   5.640
  149   2HG   GLN  18          1HG       GLN  18   5.469  -8.419   5.236
  150   1HE2  GLN  18          2HE2      GLN  18   5.704 -11.290   7.870
  151   2HE2  GLN  18          1HE2      GLN  18   4.626 -11.175   6.564
  152    H    THR  19           H        THR  19   3.686  -4.641   4.975
  153    HA   THR  19           HA       THR  19   2.827  -3.014   7.218
  154    HB   THR  19           HB       THR  19   3.857  -2.384   4.454
  155    HG1  THR  19           HG1      THR  19   4.799  -2.342   7.085
  156   1HG2  THR  19          3HG2      THR  19   2.741  -0.506   6.535
  157   2HG2  THR  19          2HG2      THR  19   3.932   0.026   5.349
  158   3HG2  THR  19          1HG2      THR  19   2.364  -0.579   4.814
  159    H    LEU  20           H        LEU  20   1.537  -3.775   4.073
  160    HA   LEU  20           HA       LEU  20  -0.793  -2.021   4.415
  161   1HB   LEU  20          2HB       LEU  20  -0.661  -4.238   2.392
  162   2HB   LEU  20          1HB       LEU  20  -1.394  -2.637   2.235
  163    HG   LEU  20           HG       LEU  20   1.558  -3.218   2.389
  164   1HD1  LEU  20          1HD1      LEU  20  -0.335  -2.640   0.135
  165   2HD1  LEU  20          3HD1      LEU  20   1.350  -2.138   0.012
  166   3HD1  LEU  20          2HD1      LEU  20   0.952  -3.844   0.221
  167   1HD2  LEU  20          2HD2      LEU  20   0.775  -1.044   3.412
  168   2HD2  LEU  20          1HD2      LEU  20   1.873  -0.844   2.046
  169   3HD2  LEU  20          3HD2      LEU  20   0.139  -0.604   1.826
  170    H    LYS  21           H        LYS  21   0.107  -5.371   4.742
  171    HA   LYS  21           HA       LYS  21  -2.607  -6.311   5.269
  172   1HB   LYS  21          2HB       LYS  21  -0.976  -7.903   4.447
  173   2HB   LYS  21          1HB       LYS  21   0.118  -7.536   5.784
  174   1HG   LYS  21          2HG       LYS  21  -0.963  -8.956   7.167
  175   2HG   LYS  21          1HG       LYS  21  -2.535  -8.284   6.731
  176   1HD   LYS  21          2HD       LYS  21  -2.905  -9.847   5.093
  177   2HD   LYS  21          1HD       LYS  21  -1.196  -9.965   4.675
  178   1HE   LYS  21          2HE       LYS  21  -2.104 -10.959   7.355
  179   2HE   LYS  21          1HE       LYS  21  -2.391 -11.958   5.930
  180   1HZ   LYS  21          3HZ       LYS  21  -0.009 -11.732   5.400
  181   2HZ   LYS  21          2HZ       LYS  21   0.222 -10.906   6.866
  182   3HZ   LYS  21          1HZ       LYS  21  -0.284 -12.528   6.872
  183    H    LYS  22           H        LYS  22  -0.089  -4.772   7.062
  184    HA   LYS  22           HA       LYS  22  -1.164  -5.604   9.678
  185   1HB   LYS  22          2HB       LYS  22   1.167  -5.368   9.760
  186   2HB   LYS  22          1HB       LYS  22   1.156  -3.932   8.738
  187   1HG   LYS  22          2HG       LYS  22   1.644  -3.292  11.048
  188   2HG   LYS  22          1HG       LYS  22   0.064  -2.663  10.576
  189   1HD   LYS  22          2HD       LYS  22  -0.789  -3.699  12.387
  190   2HD   LYS  22          1HD       LYS  22  -0.458  -5.230  11.577
  191   1HE   LYS  22          2HE       LYS  22   2.001  -4.755  12.516
  192   2HE   LYS  22          1HE       LYS  22   1.089  -3.846  13.721
  193   1HZ   LYS  22          1HZ       LYS  22   0.491  -6.653  12.973
  194   2HZ   LYS  22          3HZ       LYS  22   1.464  -6.218  14.292
  195   3HZ   LYS  22          2HZ       LYS  22  -0.174  -5.767  14.261
  196    H    GLU  23           H        GLU  23  -0.971  -2.618   7.715
  197    HA   GLU  23           HA       GLU  23  -2.509  -1.110   9.685
  198   1HB   GLU  23          2HB       GLU  23  -1.850  -0.376   6.825
  199   2HB   GLU  23          1HB       GLU  23  -2.378   0.726   8.097
  200   1HG   GLU  23          2HG       GLU  23   0.117  -0.958   8.371
  201   2HG   GLU  23          1HG       GLU  23   0.144   0.646   7.639
  202    H    LEU  24           H        LEU  24  -3.106  -2.422   6.483
  203    HA   LEU  24           HA       LEU  24  -5.910  -1.634   6.491
  204   1HB   LEU  24          2HB       LEU  24  -4.698  -3.742   4.706
  205   2HB   LEU  24          1HB       LEU  24  -6.026  -2.639   4.354
  206    HG   LEU  24           HG       LEU  24  -3.254  -1.605   4.945
  207   1HD1  LEU  24          1HD1      LEU  24  -4.391  -2.424   2.265
  208   2HD1  LEU  24          3HD1      LEU  24  -2.893  -1.525   2.502
  209   3HD1  LEU  24          2HD1      LEU  24  -3.031  -3.178   3.099
  210   1HD2  LEU  24          1HD2      LEU  24  -5.715  -0.381   4.602
  211   2HD2  LEU  24          3HD2      LEU  24  -4.146   0.404   4.437
  212   3HD2  LEU  24          2HD2      LEU  24  -4.967  -0.232   3.011
  213    H    ALA  25           H        ALA  25  -4.069  -4.467   7.432
  214    HA   ALA  25           HA       ALA  25  -4.780  -6.315   8.715
  215   1HB   ALA  25          2HB       ALA  25  -6.683  -4.380   9.284
  216   2HB   ALA  25          1HB       ALA  25  -7.650  -5.725   8.680
  217   3HB   ALA  25          3HB       ALA  25  -6.571  -5.963  10.055
  218    H    LEU  26           H        LEU  26  -4.382  -6.774   6.112
  219    HA   LEU  26           HA       LEU  26  -6.791  -7.861   4.833
  220   1HB   LEU  26          2HB       LEU  26  -3.929  -8.273   3.938
  221   2HB   LEU  26          1HB       LEU  26  -5.392  -8.269   2.950
  222    HG   LEU  26           HG       LEU  26  -4.311  -5.866   4.446
  223   1HD1  LEU  26          3HD1      LEU  26  -3.282  -6.946   2.154
  224   2HD1  LEU  26          2HD1      LEU  26  -4.499  -5.852   1.499
  225   3HD1  LEU  26          1HD1      LEU  26  -3.226  -5.229   2.548
  226   1HD2  LEU  26          1HD2      LEU  26  -6.870  -6.502   3.201
  227   2HD2  LEU  26          3HD2      LEU  26  -6.425  -5.109   4.188
  228   3HD2  LEU  26          2HD2      LEU  26  -6.118  -5.093   2.452
  229    HA   PRO  27           HA       PRO  27  -6.386 -11.989   6.241
  230   1HB   PRO  27          2HB       PRO  27  -7.151 -13.395   4.009
  231   2HB   PRO  27          1HB       PRO  27  -8.278 -12.485   5.035
  232   1HG   PRO  27          2HG       PRO  27  -7.216 -11.792   2.336
  233   2HG   PRO  27          1HG       PRO  27  -8.742 -11.312   3.097
  234   1HD   PRO  27          2HD       PRO  27  -6.430  -9.709   2.860
  235   2HD   PRO  27          1HD       PRO  27  -7.824  -9.372   3.905
  236    H    GLU  28           H        GLU  28  -5.668 -14.312   4.993
  237    HA   GLU  28           HA       GLU  28  -2.774 -14.012   4.757
  238   1HB   GLU  28          2HB       GLU  28  -3.686 -15.933   5.949
  239   2HB   GLU  28          1HB       GLU  28  -4.578 -16.435   4.511
  240   1HG   GLU  28          2HG       GLU  28  -2.019 -16.208   3.534
  241   2HG   GLU  28          1HG       GLU  28  -1.731 -16.796   5.172
  242    H    TYR  29           H        TYR  29  -5.352 -15.225   2.573
  243    HA   TYR  29           HA       TYR  29  -3.593 -15.625   0.349
  244   1HB   TYR  29          2HB       TYR  29  -5.689 -15.607  -1.018
  245   2HB   TYR  29          1HB       TYR  29  -5.780 -16.679   0.383
  246    HD1  TYR  29           HD1      TYR  29  -6.459 -13.097  -0.532
  247    HD2  TYR  29           HD2      TYR  29  -7.644 -16.529   1.765
  248    HE1  TYR  29           HE1      TYR  29  -8.458 -11.869   0.273
  249    HE2  TYR  29           HE2      TYR  29  -9.640 -15.298   2.573
  250    HH   TYR  29           HH       TYR  29 -10.248 -11.927   1.574
  251    H    TYR  30           H        TYR  30  -4.589 -12.780   1.816
  252    HA   TYR  30           HA       TYR  30  -5.147 -10.868  -0.045
  253   1HB   TYR  30          2HB       TYR  30  -4.779 -10.050   2.122
  254   2HB   TYR  30          1HB       TYR  30  -3.218 -10.849   2.266
  255    HD1  TYR  30           HD1      TYR  30  -4.821  -8.420  -0.122
  256    HD2  TYR  30           HD2      TYR  30  -1.402  -9.409   2.285
  257    HE1  TYR  30           HE1      TYR  30  -3.683  -6.353  -0.887
  258    HE2  TYR  30           HE2      TYR  30  -0.266  -7.343   1.520
  259    HH   TYR  30           HH       TYR  30  -0.328  -5.661   0.017
  260    H    GLY  31           H        GLY  31  -3.999  -9.641  -1.590
  261   1HA   GLY  31          2HA       GLY  31  -1.320 -10.715  -2.368
  262   2HA   GLY  31          1HA       GLY  31  -2.565 -10.379  -3.581
  263    H    GLU  32           H        GLU  32   0.191  -9.119  -2.839
  264    HA   GLU  32           HA       GLU  32  -0.607  -6.351  -2.230
  265   1HB   GLU  32          2HB       GLU  32   1.548  -7.506  -1.426
  266   2HB   GLU  32          1HB       GLU  32   2.142  -7.269  -3.072
  267   1HG   GLU  32          2HG       GLU  32   0.940  -4.831  -2.108
  268   2HG   GLU  32          1HG       GLU  32   2.159  -5.388  -0.961
  269    H    ASN  33           H        ASN  33  -1.349  -7.822  -4.815
  270    HA   ASN  33           HA       ASN  33   0.044  -6.118  -6.798
  271   1HB   ASN  33          2HB       ASN  33  -1.691  -7.478  -8.331
  272   2HB   ASN  33          1HB       ASN  33  -0.149  -8.166  -7.829
  273   1HD2  ASN  33          2HD2      ASN  33  -3.397  -9.371  -5.607
  274   2HD2  ASN  33          1HD2      ASN  33  -3.247  -7.733  -6.028
  275    H    LEU  34           H        LEU  34  -1.811  -5.510  -8.649
  276    HA   LEU  34           HA       LEU  34  -3.395  -3.485  -7.263
  277   1HB   LEU  34          2HB       LEU  34  -3.825  -3.991 -10.167
  278   2HB   LEU  34          1HB       LEU  34  -3.618  -2.464  -9.310
  279    HG   LEU  34           HG       LEU  34  -1.479  -4.433 -10.137
  280   1HD1  LEU  34          2HD1      LEU  34  -2.089  -1.524 -10.704
  281   2HD1  LEU  34          1HD1      LEU  34  -0.521  -2.248 -11.061
  282   3HD1  LEU  34          3HD1      LEU  34  -1.973  -2.853 -11.859
  283   1HD2  LEU  34          1HD2      LEU  34  -1.584  -2.776  -7.777
  284   2HD2  LEU  34          3HD2      LEU  34  -0.294  -3.853  -8.313
  285   3HD2  LEU  34          2HD2      LEU  34  -0.331  -2.177  -8.864
  286    H    ASP  35           H        ASP  35  -3.961  -6.717  -8.191
  287    HA   ASP  35           HA       ASP  35  -6.829  -6.355  -8.668
  288   1HB   ASP  35          2HB       ASP  35  -6.514  -9.019  -8.150
  289   2HB   ASP  35          1HB       ASP  35  -6.429  -8.293  -9.750
  290    H    ALA  36           H        ALA  36  -5.047  -8.272  -6.240
  291    HA   ALA  36           HA       ALA  36  -7.300  -8.546  -4.508
  292   1HB   ALA  36          2HB       ALA  36  -4.340  -8.853  -3.994
  293   2HB   ALA  36          1HB       ALA  36  -5.585  -9.279  -2.817
  294   3HB   ALA  36          3HB       ALA  36  -5.495 -10.137  -4.356
  295    H    LEU  37           H        LEU  37  -4.485  -6.436  -4.308
  296    HA   LEU  37           HA       LEU  37  -5.214  -5.118  -1.891
  297   1HB   LEU  37          2HB       LEU  37  -2.988  -4.905  -2.875
  298   2HB   LEU  37          1HB       LEU  37  -3.672  -4.058  -4.261
  299    HG   LEU  37           HG       LEU  37  -4.622  -2.742  -1.930
  300   1HD1  LEU  37          2HD1      LEU  37  -2.481  -3.988  -1.032
  301   2HD1  LEU  37          1HD1      LEU  37  -1.618  -2.734  -1.924
  302   3HD1  LEU  37          3HD1      LEU  37  -2.735  -2.288  -0.634
  303   1HD2  LEU  37          2HD2      LEU  37  -3.681  -2.130  -4.436
  304   2HD2  LEU  37          1HD2      LEU  37  -4.032  -0.939  -3.186
  305   3HD2  LEU  37          3HD2      LEU  37  -2.382  -1.522  -3.409
  306    H    TRP  38           H        TRP  38  -5.762  -4.108  -5.276
  307    HA   TRP  38           HA       TRP  38  -7.330  -1.802  -4.685
  308   1HB   TRP  38          2HB       TRP  38  -6.482  -2.314  -6.946
  309   2HB   TRP  38          1HB       TRP  38  -7.462  -3.767  -6.975
  310    HD1  TRP  38           HD1      TRP  38  -9.413  -3.544  -8.394
  311    HE1  TRP  38           HE1      TRP  38 -11.097  -1.708  -9.056
  312    HE3  TRP  38           HE3      TRP  38  -7.544   0.383  -5.714
  313    HZ2  TRP  38           HZ2      TRP  38 -11.569   1.056  -8.537
  314    HZ3  TRP  38           HZ3      TRP  38  -8.607   2.606  -5.843
  315    HH2  TRP  38           HH2      TRP  38 -10.625   2.948  -7.241
  316    H    ASP  39           H        ASP  39  -8.084  -5.190  -5.011
  317    HA   ASP  39           HA       ASP  39 -10.927  -4.972  -4.763
  318   1HB   ASP  39          2HB       ASP  39  -8.925  -7.102  -4.706
  319   2HB   ASP  39          1HB       ASP  39 -10.266  -7.403  -3.597
  320    H    ALA  40           H        ALA  40  -8.322  -4.927  -2.470
  321    HA   ALA  40           HA       ALA  40 -10.093  -5.257  -0.148
  322   1HB   ALA  40          2HB       ALA  40  -7.466  -5.761  -0.434
  323   2HB   ALA  40          1HB       ALA  40  -7.365  -4.114   0.192
  324   3HB   ALA  40          3HB       ALA  40  -8.189  -5.363   1.127
  325    H    LEU  41           H        LEU  41  -7.804  -2.642  -0.941
  326    HA   LEU  41           HA       LEU  41  -8.774  -0.594   0.587
  327   1HB   LEU  41          2HB       LEU  41  -7.720  -0.601  -2.221
  328   2HB   LEU  41          1HB       LEU  41  -8.292   0.907  -1.511
  329    HG   LEU  41           HG       LEU  41  -6.495  -0.697   0.211
  330   1HD1  LEU  41          1HD1      LEU  41  -5.457  -1.000  -2.028
  331   2HD1  LEU  41          3HD1      LEU  41  -5.450   0.751  -2.250
  332   3HD1  LEU  41          2HD1      LEU  41  -4.467   0.015  -0.978
  333   1HD2  LEU  41          2HD2      LEU  41  -7.345   1.552   0.815
  334   2HD2  LEU  41          1HD2      LEU  41  -5.585   1.541   0.685
  335   3HD2  LEU  41          3HD2      LEU  41  -6.563   2.223  -0.616
  336    H    THR  42           H        THR  42  -9.982  -1.387  -2.618
  337    HA   THR  42           HA       THR  42 -12.342   0.323  -2.236
  338    HB   THR  42           HB       THR  42 -12.776  -0.026  -4.504
  339    HG1  THR  42           HG1      THR  42 -11.527  -1.994  -5.426
  340   1HG2  THR  42          1HG2      THR  42 -10.507   0.971  -4.101
  341   2HG2  THR  42          3HG2      THR  42  -9.815  -0.637  -4.310
  342   3HG2  THR  42          2HG2      THR  42 -10.651   0.146  -5.652
  343    H    GLY  43           H        GLY  43 -12.363  -1.599  -0.238
  344   1HA   GLY  43          2HA       GLY  43 -14.802  -2.627   0.010
  345   2HA   GLY  43          1HA       GLY  43 -14.169  -3.755  -1.191
  346    H    TRP  44           H        TRP  44 -12.344  -2.359   1.560
  347    HA   TRP  44           HA       TRP  44 -12.641  -4.709   3.218
  348   1HB   TRP  44          2HB       TRP  44 -11.235  -5.784   1.541
  349   2HB   TRP  44          1HB       TRP  44 -10.075  -4.456   1.627
  350    HD1  TRP  44           HD1      TRP  44  -9.012  -4.045   4.192
  351    HE1  TRP  44           HE1      TRP  44  -8.240  -5.825   5.890
  352    HE3  TRP  44           HE3      TRP  44 -11.477  -8.125   2.371
  353    HZ2  TRP  44           HZ2      TRP  44  -8.621  -8.613   6.406
  354    HZ3  TRP  44           HZ3      TRP  44 -11.258 -10.329   3.483
  355    HH2  TRP  44           HH2      TRP  44  -9.833 -10.579   5.497
  356    H    VAL  45           H        VAL  45 -10.509  -2.064   2.277
  357    HA   VAL  45           HA       VAL  45  -9.416  -1.700   4.934
  358    HB   VAL  45           HB       VAL  45  -9.273  -0.356   2.285
  359   1HG1  VAL  45          2HG1      VAL  45  -8.488   1.018   4.860
  360   2HG1  VAL  45          1HG1      VAL  45  -8.045   1.560   3.241
  361   3HG1  VAL  45          3HG1      VAL  45  -9.739   1.543   3.731
  362   1HG2  VAL  45          2HG2      VAL  45  -7.315  -1.301   4.381
  363   2HG2  VAL  45          1HG2      VAL  45  -7.617  -2.010   2.794
  364   3HG2  VAL  45          3HG2      VAL  45  -6.818  -0.442   2.923
  365    H    GLU  46           H        GLU  46  -9.715   0.404   6.122
  366    HA   GLU  46           HA       GLU  46 -12.582   1.236   6.016
  367   1HB   GLU  46          2HB       GLU  46 -10.732   0.614   8.204
  368   2HB   GLU  46          1HB       GLU  46 -11.551   2.161   8.421
  369   1HG   GLU  46          2HG       GLU  46 -13.164   0.791   9.327
  370   2HG   GLU  46          1HG       GLU  46 -13.659   0.700   7.636
  371    H    TYR  47           H        TYR  47 -12.928   3.255   5.266
  372    HA   TYR  47           HA       TYR  47 -10.633   5.155   5.240
  373   1HB   TYR  47          2HB       TYR  47 -13.188   5.138   3.602
  374   2HB   TYR  47          1HB       TYR  47 -11.848   6.271   3.402
  375    HD1  TYR  47           HD2      TYR  47  -9.448   4.714   3.617
  376    HD2  TYR  47           HD1      TYR  47 -13.198   3.619   1.820
  377    HE1  TYR  47           HE2      TYR  47  -8.283   3.064   2.185
  378    HE2  TYR  47           HE1      TYR  47 -12.021   1.975   0.382
  379    HH   TYR  47           HH       TYR  47  -9.654   1.695  -0.517
  380    HA   PRO  48           HA       PRO  48 -10.937   7.471   4.366
  381   1HB   PRO  48          2HB       PRO  48  -9.796   9.554   5.749
  382   2HB   PRO  48          1HB       PRO  48 -11.307   9.683   4.827
  383   1HG   PRO  48          2HG       PRO  48 -10.915   9.504   7.787
  384   2HG   PRO  48          1HG       PRO  48 -12.205  10.302   6.870
  385   1HD   PRO  48          2HD       PRO  48 -12.448   7.820   8.153
  386   2HD   PRO  48          1HD       PRO  48 -13.520   8.415   6.864
  387    H    LEU  49           H        LEU  49  -8.887   6.766   4.018
  388    HA   LEU  49           HA       LEU  49  -7.339   5.790   6.378
  389   1HB   LEU  49          2HB       LEU  49  -7.722   3.934   4.988
  390   2HB   LEU  49          1HB       LEU  49  -7.602   4.896   3.516
  391    HG   LEU  49           HG       LEU  49  -5.100   5.214   4.206
  392   1HD1  LEU  49          3HD1      LEU  49  -6.109   3.366   6.228
  393   2HD1  LEU  49          2HD1      LEU  49  -4.728   2.707   5.350
  394   3HD1  LEU  49          1HD1      LEU  49  -4.586   4.253   6.186
  395   1HD2  LEU  49          1HD2      LEU  49  -6.518   3.172   2.751
  396   2HD2  LEU  49          3HD2      LEU  49  -4.948   3.898   2.397
  397   3HD2  LEU  49          2HD2      LEU  49  -5.056   2.498   3.468
  398    H    VAL  50           H        VAL  50  -4.955   6.083   6.227
  399    HA   VAL  50           HA       VAL  50  -4.208   8.391   4.482
  400    HB   VAL  50           HB       VAL  50  -4.032   8.123   7.415
  401   1HG1  VAL  50          2HG1      VAL  50  -1.613   8.921   5.782
  402   2HG1  VAL  50          1HG1      VAL  50  -1.872   9.519   7.421
  403   3HG1  VAL  50          3HG1      VAL  50  -1.686   7.788   7.133
  404   1HG2  VAL  50          3HG2      VAL  50  -5.111   9.912   5.815
  405   2HG2  VAL  50          2HG2      VAL  50  -4.356  10.427   7.323
  406   3HG2  VAL  50          1HG2      VAL  50  -3.483  10.586   5.798
  407    H    LEU  51           H        LEU  51  -3.006   7.299   2.938
  408    HA   LEU  51           HA       LEU  51  -1.219   5.100   3.713
  409   1HB   LEU  51          2HB       LEU  51  -2.418   5.160   1.506
  410   2HB   LEU  51          1HB       LEU  51  -1.427   6.555   1.069
  411    HG   LEU  51           HG       LEU  51   0.602   5.061   1.594
  412   1HD1  LEU  51          3HD1      LEU  51  -1.581   3.255   2.101
  413   2HD1  LEU  51          2HD1      LEU  51  -0.540   2.628   0.813
  414   3HD1  LEU  51          1HD1      LEU  51   0.142   3.020   2.400
  415   1HD2  LEU  51          2HD2      LEU  51  -1.266   4.654  -0.722
  416   2HD2  LEU  51          1HD2      LEU  51   0.248   5.567  -0.676
  417   3HD2  LEU  51          3HD2      LEU  51   0.270   3.804  -0.631
  418    H    GLU  52           H        GLU  52  -0.081   6.749   5.261
  419    HA   GLU  52           HA       GLU  52   1.592   8.786   4.123
  420   1HB   GLU  52          2HB       GLU  52   1.186   8.880   6.481
  421   2HB   GLU  52          1HB       GLU  52   1.734   7.219   6.709
  422   1HG   GLU  52          2HG       GLU  52   3.995   7.787   6.375
  423   2HG   GLU  52          1HG       GLU  52   3.589   9.308   5.581
  424    H    TRP  53           H        TRP  53   2.584   7.733   2.257
  425    HA   TRP  53           HA       TRP  53   4.294   5.412   2.756
  426   1HB   TRP  53          2HB       TRP  53   3.024   6.218   0.510
  427   2HB   TRP  53          1HB       TRP  53   4.621   6.920   0.221
  428    HD1  TRP  53           HD1      TRP  53   6.565   4.920   1.321
  429    HE1  TRP  53           HE1      TRP  53   6.796   2.524   0.425
  430    HE3  TRP  53           HE3      TRP  53   1.988   4.367  -0.856
  431    HZ2  TRP  53           HZ2      TRP  53   5.229   0.609  -0.980
  432    HZ3  TRP  53           HZ3      TRP  53   1.372   2.228  -1.937
  433    HH2  TRP  53           HH2      TRP  53   2.992   0.352  -2.015
  434    H    ARG  54           H        ARG  54   5.880   6.064   4.174
  435    HA   ARG  54           HA       ARG  54   7.250   8.309   4.657
  436   1HB   ARG  54          2HB       ARG  54   8.425   5.566   4.217
  437   2HB   ARG  54          1HB       ARG  54   9.388   6.913   4.826
  438   1HG   ARG  54          2HG       ARG  54   6.770   6.097   6.099
  439   2HG   ARG  54          1HG       ARG  54   8.315   5.407   6.596
  440   1HD   ARG  54          2HD       ARG  54   8.417   8.321   6.401
  441   2HD   ARG  54          1HD       ARG  54   7.207   7.769   7.560
  442    HE   ARG  54           HE       ARG  54  10.123   7.173   7.713
  443   1HH1  ARG  54          2HH1      ARG  54   8.633   4.962   8.934
  444   2HH1  ARG  54          1HH1      ARG  54   8.384   5.498  10.561
  445   1HH2  ARG  54          1HH2      ARG  54   9.072   8.822   9.851
  446   2HH2  ARG  54          2HH2      ARG  54   8.632   7.684  11.081
  447    H    GLN  55           H        GLN  55   9.471   6.468   2.707
  448    HA   GLN  55           HA       GLN  55   9.927   8.900   1.083
  449   1HB   GLN  55          2HB       GLN  55  11.511   6.408   1.649
  450   2HB   GLN  55          1HB       GLN  55  11.922   7.425   0.268
  451   1HG   GLN  55          2HG       GLN  55  11.560   8.588   3.031
  452   2HG   GLN  55          1HG       GLN  55  13.112   7.937   2.500
  453   1HE2  GLN  55          2HE2      GLN  55  13.670  11.263   1.331
  454   2HE2  GLN  55          1HE2      GLN  55  14.030  10.153   2.564
  455    H    PHE  56           H        PHE  56   8.942   5.532   0.710
  456    HA   PHE  56           HA       PHE  56   7.758   4.527  -1.053
  457   1HB   PHE  56          2HB       PHE  56   6.636   6.712  -1.408
  458   2HB   PHE  56          1HB       PHE  56   7.981   7.225  -2.424
  459    HD1  PHE  56           HD1      PHE  56   5.583   4.357  -2.081
  460    HD2  PHE  56           HD2      PHE  56   7.858   6.875  -4.714
  461    HE1  PHE  56           HE1      PHE  56   4.566   3.234  -4.036
  462    HE2  PHE  56           HE2      PHE  56   6.841   5.753  -6.667
  463    HZ   PHE  56           HZ       PHE  56   5.194   3.933  -6.333
  464    H    GLU  57           H        GLU  57   9.812   6.798  -2.891
  465    HA   GLU  57           HA       GLU  57  10.729   5.210  -4.894
  466   1HB   GLU  57          2HB       GLU  57  11.498   7.525  -4.565
  467   2HB   GLU  57          1HB       GLU  57  12.500   7.006  -3.209
  468   1HG   GLU  57          2HG       GLU  57  13.140   5.288  -5.363
  469   2HG   GLU  57          1HG       GLU  57  13.099   6.921  -6.030
  470    H    GLN  58           H        GLN  58  12.598   5.391  -1.832
  471    HA   GLN  58           HA       GLN  58  14.246   3.153  -2.408
  472   1HB   GLN  58          2HB       GLN  58  14.321   3.013   0.216
  473   2HB   GLN  58          1HB       GLN  58  15.006   4.420  -0.598
  474   1HG   GLN  58          2HG       GLN  58  13.316   5.818   0.095
  475   2HG   GLN  58          1HG       GLN  58  12.107   4.532   0.085
  476   1HE2  GLN  58          2HE2      GLN  58  12.354   4.447   3.603
  477   2HE2  GLN  58          1HE2      GLN  58  11.355   4.657   2.247
  478    H    SER  59           H        SER  59  13.986   0.970  -2.106
  479    HA   SER  59           HA       SER  59  12.962  -1.060  -1.440
  480   1HB   SER  59          2HB       SER  59  11.340  -1.079   0.197
  481   2HB   SER  59          1HB       SER  59  11.964   0.552   0.446
  482    HG   SER  59           HG       SER  59   9.552   0.102   0.090
  483    H    LYS  60           H        LYS  60  11.302   1.469  -3.173
  484    HA   LYS  60           HA       LYS  60   9.267  -0.240  -4.343
  485   1HB   LYS  60          2HB       LYS  60   8.919   2.170  -4.191
  486   2HB   LYS  60          1HB       LYS  60  10.374   2.462  -5.152
  487   1HG   LYS  60          2HG       LYS  60   8.415   0.641  -6.407
  488   2HG   LYS  60          1HG       LYS  60   7.851   2.300  -6.203
  489   1HD   LYS  60          2HD       LYS  60   9.870   3.140  -7.336
  490   2HD   LYS  60          1HD       LYS  60  10.457   1.488  -7.526
  491   1HE   LYS  60          2HE       LYS  60   8.304   0.989  -8.783
  492   2HE   LYS  60          1HE       LYS  60   7.998   2.725  -8.783
  493   1HZ   LYS  60          1HZ       LYS  60  10.553   2.577  -9.627
  494   2HZ   LYS  60          3HZ       LYS  60   9.878   1.191 -10.333
  495   3HZ   LYS  60          2HZ       LYS  60   9.201   2.716 -10.646
  496    H    GLN  61           H        GLN  61  12.368   1.110  -5.443
  497    HA   GLN  61           HA       GLN  61  12.269  -0.351  -7.981
  498   1HB   GLN  61          2HB       GLN  61  13.416   1.893  -7.583
  499   2HB   GLN  61          1HB       GLN  61  14.647   0.994  -6.697
  500   1HG   GLN  61          2HG       GLN  61  13.948  -0.069  -9.379
  501   2HG   GLN  61          1HG       GLN  61  14.800   1.475  -9.362
  502   1HE2  GLN  61          2HE2      GLN  61  17.770   0.067  -7.848
  503   2HE2  GLN  61          1HE2      GLN  61  16.838   1.486  -7.874
  504    H    LEU  62           H        LEU  62  13.161  -0.986  -4.798
  505    HA   LEU  62           HA       LEU  62  15.285  -2.888  -5.280
  506   1HB   LEU  62          2HB       LEU  62  13.510  -2.319  -2.893
  507   2HB   LEU  62          1HB       LEU  62  14.802  -3.521  -2.869
  508    HG   LEU  62           HG       LEU  62  16.477  -1.831  -3.303
  509   1HD1  LEU  62          2HD1      LEU  62  14.107   0.032  -3.667
  510   2HD1  LEU  62          1HD1      LEU  62  15.763   0.599  -3.454
  511   3HD1  LEU  62          3HD1      LEU  62  15.341  -0.378  -4.860
  512   1HD2  LEU  62          2HD2      LEU  62  14.669  -1.723  -1.059
  513   2HD2  LEU  62          1HD2      LEU  62  16.411  -1.446  -1.088
  514   3HD2  LEU  62          3HD2      LEU  62  15.300  -0.112  -1.397
  515    H    THR  63           H        THR  63  12.045  -3.006  -5.976
  516    HA   THR  63           HA       THR  63  12.019  -5.985  -5.692
  517    HB   THR  63           HB       THR  63  10.247  -5.516  -4.322
  518    HG1  THR  63           HG1      THR  63   8.641  -6.173  -5.466
  519   1HG2  THR  63          1HG2      THR  63  10.695  -3.040  -4.506
  520   2HG2  THR  63          3HG2      THR  63   9.592  -3.009  -5.880
  521   3HG2  THR  63          2HG2      THR  63   8.998  -3.464  -4.283
  522    H    GLU  64           H        GLU  64   9.593  -4.071  -7.352
  523    HA   GLU  64           HA       GLU  64  10.565  -3.972  -9.959
  524   1HB   GLU  64          2HB       GLU  64   9.395  -6.119 -10.853
  525   2HB   GLU  64          1HB       GLU  64  10.983  -6.289 -10.104
  526   1HG   GLU  64          2HG       GLU  64  10.153  -7.551  -8.428
  527   2HG   GLU  64          1HG       GLU  64   8.845  -6.406  -8.127
  528    H    ASN  65           H        ASN  65   8.944  -2.272  -8.915
  529    HA   ASN  65           HA       ASN  65   6.937  -1.145  -9.458
  530   1HB   ASN  65          2HB       ASN  65   7.032  -2.693 -11.545
  531   2HB   ASN  65          1HB       ASN  65   5.863  -3.683 -10.672
  532   1HD2  ASN  65          2HD2      ASN  65   4.100  -1.029 -12.741
  533   2HD2  ASN  65          1HD2      ASN  65   5.295  -2.169 -13.136
  534    H    GLY  66           H        GLY  66   7.473  -3.515  -7.341
  535   1HA   GLY  66          2HA       GLY  66   4.902  -4.439  -6.532
  536   2HA   GLY  66          1HA       GLY  66   6.309  -4.314  -5.470
  537    H    ALA  67           H        ALA  67   6.831  -1.907  -4.880
  538    HA   ALA  67           HA       ALA  67   4.618  -0.844  -3.425
  539   1HB   ALA  67          3HB       ALA  67   7.401  -0.248  -3.755
  540   2HB   ALA  67          2HB       ALA  67   6.486   1.247  -3.947
  541   3HB   ALA  67          1HB       ALA  67   6.313   0.291  -2.476
  542    H    GLU  68           H        GLU  68   6.050   0.133  -6.541
  543    HA   GLU  68           HA       GLU  68   4.440   2.396  -7.005
  544   1HB   GLU  68          2HB       GLU  68   6.367   1.000  -8.431
  545   2HB   GLU  68          1HB       GLU  68   4.915   0.811  -9.414
  546   1HG   GLU  68          2HG       GLU  68   5.931   3.465  -8.358
  547   2HG   GLU  68          1HG       GLU  68   6.221   2.867  -9.991
  548    H    SER  69           H        SER  69   3.694  -1.001  -7.185
  549    HA   SER  69           HA       SER  69   1.247  -0.615  -8.731
  550   1HB   SER  69          2HB       SER  69   2.798  -2.850  -7.714
  551   2HB   SER  69          1HB       SER  69   1.087  -3.070  -7.363
  552    HG   SER  69           HG       SER  69   2.391  -2.730  -9.843
  553    H    VAL  70           H        VAL  70   1.851  -1.579  -5.308
  554    HA   VAL  70           HA       VAL  70  -0.817  -1.401  -4.460
  555    HB   VAL  70           HB       VAL  70   1.684  -0.581  -2.944
  556   1HG1  VAL  70          3HG1      VAL  70  -1.204  -0.838  -2.137
  557   2HG1  VAL  70          2HG1      VAL  70   0.074  -1.121  -0.960
  558   3HG1  VAL  70          1HG1      VAL  70  -0.059   0.448  -1.750
  559   1HG2  VAL  70          2HG2      VAL  70   0.952  -3.088  -3.823
  560   2HG2  VAL  70          1HG2      VAL  70   1.961  -2.783  -2.409
  561   3HG2  VAL  70          3HG2      VAL  70   0.227  -3.042  -2.216
  562    H    LEU  71           H        LEU  71   1.498   0.990  -5.389
  563    HA   LEU  71           HA       LEU  71  -0.006   3.129  -4.173
  564   1HB   LEU  71          2HB       LEU  71   2.511   3.137  -4.670
  565   2HB   LEU  71          1HB       LEU  71   2.050   3.479  -6.340
  566    HG   LEU  71           HG       LEU  71   0.973   5.510  -5.730
  567   1HD1  LEU  71          2HD1      LEU  71   1.112   4.371  -2.957
  568   2HD1  LEU  71          1HD1      LEU  71   0.987   6.120  -3.184
  569   3HD1  LEU  71          3HD1      LEU  71  -0.279   5.054  -3.815
  570   1HD2  LEU  71          1HD2      LEU  71   3.525   5.385  -5.678
  571   2HD2  LEU  71          3HD2      LEU  71   2.792   6.774  -4.875
  572   3HD2  LEU  71          2HD2      LEU  71   3.381   5.413  -3.919
  573    H    GLN  72           H        GLN  72   0.319   1.767  -7.445
  574    HA   GLN  72           HA       GLN  72  -1.253   3.736  -8.760
  575   1HB   GLN  72          2HB       GLN  72  -0.556   0.895  -9.264
  576   2HB   GLN  72          1HB       GLN  72  -2.002   1.488 -10.080
  577   1HG   GLN  72          2HG       GLN  72  -0.643   3.444 -10.904
  578   2HG   GLN  72          1HG       GLN  72   0.789   2.655 -10.243
  579   1HE2  GLN  72          2HE2      GLN  72   0.450  -0.143 -12.622
  580   2HE2  GLN  72          1HE2      GLN  72   0.647   0.061 -10.948
  581    H    VAL  73           H        VAL  73  -2.094   1.021  -6.761
  582    HA   VAL  73           HA       VAL  73  -4.971   1.256  -7.228
  583    HB   VAL  73           HB       VAL  73  -3.384  -0.315  -5.192
  584   1HG1  VAL  73          3HG1      VAL  73  -5.847   0.301  -4.669
  585   2HG1  VAL  73          2HG1      VAL  73  -6.238  -0.791  -5.995
  586   3HG1  VAL  73          1HG1      VAL  73  -5.386  -1.397  -4.582
  587   1HG2  VAL  73          1HG2      VAL  73  -3.909  -0.611  -7.992
  588   2HG2  VAL  73          3HG2      VAL  73  -3.019  -1.702  -6.929
  589   3HG2  VAL  73          2HG2      VAL  73  -4.766  -1.891  -7.130
  590    H    PHE  74           H        PHE  74  -2.930   1.822  -4.318
  591    HA   PHE  74           HA       PHE  74  -4.856   2.813  -2.606
  592   1HB   PHE  74          2HB       PHE  74  -1.945   3.211  -2.991
  593   2HB   PHE  74          1HB       PHE  74  -2.768   4.460  -2.076
  594    HD1  PHE  74           HD1      PHE  74  -1.941   0.876  -2.199
  595    HD2  PHE  74           HD2      PHE  74  -3.726   4.013   0.105
  596    HE1  PHE  74           HE1      PHE  74  -1.937  -0.598  -0.226
  597    HE2  PHE  74           HE2      PHE  74  -3.731   2.527   2.088
  598    HZ   PHE  74           HZ       PHE  74  -2.843   0.237   1.916
  599    H    ARG  75           H        ARG  75  -2.877   4.565  -4.949
  600    HA   ARG  75           HA       ARG  75  -4.179   7.091  -4.700
  601   1HB   ARG  75          2HB       ARG  75  -2.355   5.791  -6.631
  602   2HB   ARG  75          1HB       ARG  75  -3.385   7.044  -7.322
  603   1HG   ARG  75          2HG       ARG  75  -2.506   8.716  -5.943
  604   2HG   ARG  75          1HG       ARG  75  -1.938   7.559  -4.739
  605   1HD   ARG  75          2HD       ARG  75   0.016   8.309  -5.890
  606   2HD   ARG  75          1HD       ARG  75  -0.326   6.699  -6.523
  607    HE   ARG  75           HE       ARG  75  -0.543   7.733  -8.618
  608   1HH1  ARG  75          2HH1      ARG  75  -0.734  10.089  -6.158
  609   2HH1  ARG  75          1HH1      ARG  75  -1.436  11.307  -7.170
  610   1HH2  ARG  75          1HH2      ARG  75  -1.767   9.211  -9.913
  611   2HH2  ARG  75          2HH2      ARG  75  -2.020  10.809  -9.296
  612    H    GLU  76           H        GLU  76  -4.791   4.296  -6.894
  613    HA   GLU  76           HA       GLU  76  -6.934   5.492  -8.356
  614   1HB   GLU  76          2HB       GLU  76  -6.302   2.642  -7.585
  615   2HB   GLU  76          1HB       GLU  76  -7.757   3.039  -8.501
  616   1HG   GLU  76          2HG       GLU  76  -5.155   4.167  -9.435
  617   2HG   GLU  76          1HG       GLU  76  -5.480   2.459  -9.735
  618    H    ALA  77           H        ALA  77  -6.727   4.409  -5.105
  619    HA   ALA  77           HA       ALA  77  -9.601   4.089  -4.691
  620   1HB   ALA  77          3HB       ALA  77  -7.642   2.934  -3.409
  621   2HB   ALA  77          2HB       ALA  77  -7.526   4.456  -2.523
  622   3HB   ALA  77          1HB       ALA  77  -9.015   3.513  -2.465
  623    H    LYS  78           H        LYS  78  -7.146   6.404  -3.452
  624    HA   LYS  78           HA       LYS  78  -9.056   8.238  -2.410
  625   1HB   LYS  78          2HB       LYS  78  -7.201   9.690  -2.135
  626   2HB   LYS  78          1HB       LYS  78  -6.536   8.074  -1.950
  627   1HG   LYS  78          2HG       LYS  78  -5.095   8.510  -3.618
  628   2HG   LYS  78          1HG       LYS  78  -6.459   8.678  -4.722
  629   1HD   LYS  78          2HD       LYS  78  -5.160  10.728  -4.792
  630   2HD   LYS  78          1HD       LYS  78  -6.689  11.065  -3.979
  631   1HE   LYS  78          2HE       LYS  78  -5.544  10.733  -1.782
  632   2HE   LYS  78          1HE       LYS  78  -4.017  10.540  -2.645
  633   1HZ   LYS  78          3HZ       LYS  78  -5.755  12.929  -2.904
  634   2HZ   LYS  78          2HZ       LYS  78  -4.461  12.826  -1.808
  635   3HZ   LYS  78          1HZ       LYS  78  -4.171  12.739  -3.481
  636    H    ALA  79           H        ALA  79  -8.218   7.439  -5.605
  637    HA   ALA  79           HA       ALA  79  -8.983  10.078  -6.722
  638   1HB   ALA  79          2HB       ALA  79  -7.242   8.067  -7.568
  639   2HB   ALA  79          1HB       ALA  79  -8.647   7.882  -8.623
  640   3HB   ALA  79          3HB       ALA  79  -7.796   9.429  -8.542
  641    H    GLU  80           H        GLU  80  -9.784   6.784  -7.710
  642    HA   GLU  80           HA       GLU  80 -12.160   7.233  -9.000
  643   1HB   GLU  80          2HB       GLU  80 -11.644   4.907  -7.127
  644   2HB   GLU  80          1HB       GLU  80 -12.748   4.941  -8.497
  645   1HG   GLU  80          2HG       GLU  80 -10.050   5.763  -9.243
  646   2HG   GLU  80          1HG       GLU  80 -10.104   4.122  -8.597
  647    H    GLY  81           H        GLY  81 -12.069   6.292  -5.509
  648   1HA   GLY  81          2HA       GLY  81 -14.114   8.300  -4.916
  649   2HA   GLY  81          1HA       GLY  81 -14.748   6.653  -4.908
  650    H    ALA  82           H        ALA  82 -12.336   5.424  -3.866
  651    HA   ALA  82           HA       ALA  82 -12.780   5.305  -1.167
  652   1HB   ALA  82          1HB       ALA  82 -10.860   4.286  -2.783
  653   2HB   ALA  82          3HB       ALA  82  -9.904   5.444  -1.858
  654   3HB   ALA  82          2HB       ALA  82 -10.803   4.176  -1.023
  655    H    ASP  83           H        ASP  83 -11.866   6.343   0.703
  656    HA   ASP  83           HA       ASP  83 -11.124   9.194   0.207
  657   1HB   ASP  83          2HB       ASP  83 -12.540   7.773   2.452
  658   2HB   ASP  83          1HB       ASP  83 -11.701   9.292   2.772
  659    H    ILE  84           H        ILE  84  -9.018   7.734  -0.263
  660    HA   ILE  84           HA       ILE  84  -7.520   7.345   2.276
  661    HB   ILE  84           HB       ILE  84  -6.998   6.423  -0.564
  662   1HG1  ILE  84          2HG1      ILE  84  -7.232   4.577   1.742
  663   2HG1  ILE  84          1HG1      ILE  84  -8.714   5.399   1.255
  664   1HG2  ILE  84          3HG2      ILE  84  -4.930   7.004   0.877
  665   2HG2  ILE  84          2HG2      ILE  84  -5.424   5.650   1.895
  666   3HG2  ILE  84          1HG2      ILE  84  -5.003   5.376   0.200
  667   1HD1  ILE  84          3HD1      ILE  84  -6.949   4.082  -0.793
  668   2HD1  ILE  84          2HD1      ILE  84  -8.124   3.137   0.119
  669   3HD1  ILE  84          1HD1      ILE  84  -8.664   4.470  -0.899
  670    H    THR  85           H        THR  85  -5.397   8.263   2.482
  671    HA   THR  85           HA       THR  85  -4.976  10.673   0.771
  672    HB   THR  85           HB       THR  85  -4.171  11.839   2.643
  673    HG1  THR  85           HG1      THR  85  -2.835  10.824   3.866
  674   1HG2  THR  85          2HG2      THR  85  -6.306   9.909   3.559
  675   2HG2  THR  85          1HG2      THR  85  -5.747  11.248   4.562
  676   3HG2  THR  85          3HG2      THR  85  -6.513  11.570   3.005
  677    H    ILE  86           H        ILE  86  -3.600   9.716  -0.757
  678    HA   ILE  86           HA       ILE  86  -1.398   8.022   0.107
  679    HB   ILE  86           HB       ILE  86  -2.553   8.911  -2.457
  680   1HG1  ILE  86          2HG1      ILE  86  -2.220   6.614  -3.029
  681   2HG1  ILE  86          1HG1      ILE  86  -0.997   6.404  -1.781
  682   1HG2  ILE  86          2HG2      ILE  86  -0.263   9.834  -2.694
  683   2HG2  ILE  86          1HG2      ILE  86   0.407   8.259  -2.269
  684   3HG2  ILE  86          3HG2      ILE  86  -0.514   8.453  -3.760
  685   1HD1  ILE  86          3HD1      ILE  86  -3.375   7.323  -0.495
  686   2HD1  ILE  86          2HD1      ILE  86  -3.830   6.013  -1.579
  687   3HD1  ILE  86          1HD1      ILE  86  -2.605   5.743  -0.339
  688    H    ILE  87           H        ILE  87   0.222   8.916   1.213
  689    HA   ILE  87           HA       ILE  87   0.895  11.749   0.890
  690    HB   ILE  87           HB       ILE  87   2.195   9.540   2.510
  691   1HG1  ILE  87          2HG1      ILE  87   0.234  11.766   3.113
  692   2HG1  ILE  87          1HG1      ILE  87   0.030  10.035   3.388
  693   1HG2  ILE  87          2HG2      ILE  87   3.584  11.665   1.733
  694   2HG2  ILE  87          1HG2      ILE  87   2.652  12.462   2.999
  695   3HG2  ILE  87          3HG2      ILE  87   3.683  11.090   3.396
  696   1HD1  ILE  87          2HD1      ILE  87   2.241  10.441   4.870
  697   2HD1  ILE  87          1HD1      ILE  87   1.525  12.047   4.994
  698   3HD1  ILE  87          3HD1      ILE  87   0.615  10.634   5.526
  699    H    LEU  88           H        LEU  88   3.232   9.055   0.897
  700    HA   LEU  88           HA       LEU  88   4.939   8.545  -0.648
  701   1HB   LEU  88          2HB       LEU  88   3.779  10.644  -2.487
  702   2HB   LEU  88          1HB       LEU  88   4.724   9.218  -2.915
  703    HG   LEU  88           HG       LEU  88   1.912   9.236  -1.784
  704   1HD1  LEU  88          3HD1      LEU  88   3.111   8.667  -4.491
  705   2HD1  LEU  88          2HD1      LEU  88   1.554   7.986  -4.022
  706   3HD1  LEU  88          1HD1      LEU  88   1.769   9.736  -4.087
  707   1HD2  LEU  88          1HD2      LEU  88   3.986   7.244  -1.671
  708   2HD2  LEU  88          3HD2      LEU  88   2.330   7.139  -1.073
  709   3HD2  LEU  88          2HD2      LEU  88   2.699   6.678  -2.733
  710    H    SER  89           HN       SER  89   5.683  10.114   1.367
  711    HA   SER  89           HA       SER  89   7.917  11.557   0.453
  712   1HB   SER  89          2HB       SER  89   6.619  13.254  -0.538
  713   2HB   SER  89          1HB       SER  89   5.408  13.202   0.745
  714    HG   SER  89           HG       SER  89   8.105  13.946   1.195
   
  No H/Q in entry =         714
  Start of MODEL   16
    1   1H    LYS   1          1H        LYS   1  -8.476   5.951   8.832
    2   2H    LYS   1          3H        LYS   1  -8.682   4.871   7.543
    3   3H    LYS   1          2H        LYS   1  -9.452   4.575   9.028
    4    HA   LYS   1           HA       LYS   1  -7.466   4.028  10.102
    5   1HB   LYS   1          2HB       LYS   1  -7.960   2.873   7.419
    6   2HB   LYS   1          1HB       LYS   1  -6.366   2.546   8.100
    7   1HG   LYS   1          2HG       LYS   1  -8.968   2.082   9.584
    8   2HG   LYS   1          1HG       LYS   1  -8.090   0.825   8.713
    9   1HD   LYS   1          2HD       LYS   1  -6.170   2.106  10.328
   10   2HD   LYS   1          1HD       LYS   1  -7.587   1.889  11.355
   11   1HE   LYS   1          2HE       LYS   1  -7.593  -0.529  10.260
   12   2HE   LYS   1          1HE       LYS   1  -5.882  -0.176  10.016
   13   1HZ   LYS   1          3HZ       LYS   1  -5.739   0.371  12.397
   14   2HZ   LYS   1          2HZ       LYS   1  -7.356  -0.112  12.593
   15   3HZ   LYS   1          1HZ       LYS   1  -6.177  -1.244  12.124
   16    H    LYS   2           H        LYS   2  -4.999   3.684   9.725
   17    HA   LYS   2           HA       LYS   2  -3.891   5.878   8.041
   18   1HB   LYS   2          2HB       LYS   2  -3.903   6.892  10.186
   19   2HB   LYS   2          1HB       LYS   2  -3.418   5.396  10.983
   20   1HG   LYS   2          2HG       LYS   2  -1.225   5.822  10.647
   21   2HG   LYS   2          1HG       LYS   2  -1.494   6.222   8.950
   22   1HD   LYS   2          2HD       LYS   2  -2.264   8.475   9.598
   23   2HD   LYS   2          1HD       LYS   2  -1.997   8.078  11.296
   24   1HE   LYS   2          2HE       LYS   2   0.302   7.613   9.474
   25   2HE   LYS   2          1HE       LYS   2  -0.131   9.299   9.765
   26   1HZ   LYS   2          3HZ       LYS   2  -0.164   7.734  12.157
   27   2HZ   LYS   2          2HZ       LYS   2   1.361   7.715  11.407
   28   3HZ   LYS   2          1HZ       LYS   2   0.638   9.192  11.833
   29    H    ALA   3           H        ALA   3  -2.943   4.487   6.559
   30    HA   ALA   3           HA       ALA   3  -1.311   2.225   7.519
   31   1HB   ALA   3          1HB       ALA   3  -2.524   3.053   4.978
   32   2HB   ALA   3          3HB       ALA   3  -0.878   2.450   4.792
   33   3HB   ALA   3          2HB       ALA   3  -2.109   1.436   5.545
   34    H    VAL   4           H        VAL   4   0.976   2.152   7.246
   35    HA   VAL   4           HA       VAL   4   2.248   4.673   6.320
   36    HB   VAL   4           HB       VAL   4   2.659   3.313   8.990
   37   1HG1  VAL   4          3HG1      VAL   4   4.585   4.746   7.297
   38   2HG1  VAL   4          2HG1      VAL   4   4.416   5.446   8.907
   39   3HG1  VAL   4          1HG1      VAL   4   4.869   3.751   8.726
   40   1HG2  VAL   4          1HG2      VAL   4   0.928   5.193   8.551
   41   2HG2  VAL   4          3HG2      VAL   4   2.035   5.403   9.907
   42   3HG2  VAL   4          2HG2      VAL   4   2.328   6.253   8.390
   43    H    ILE   5           H        ILE   5   3.740   4.175   4.848
   44    HA   ILE   5           HA       ILE   5   4.834   1.424   4.741
   45    HB   ILE   5           HB       ILE   5   5.378   3.645   2.766
   46   1HG1  ILE   5          2HG1      ILE   5   2.830   3.135   3.413
   47   2HG1  ILE   5          1HG1      ILE   5   3.309   3.416   1.755
   48   1HG2  ILE   5          2HG2      ILE   5   5.761   0.732   2.927
   49   2HG2  ILE   5          1HG2      ILE   5   5.074   1.285   1.401
   50   3HG2  ILE   5          3HG2      ILE   5   6.615   1.936   1.959
   51   1HD1  ILE   5          3HD1      ILE   5   3.558   0.920   1.484
   52   2HD1  ILE   5          2HD1      ILE   5   2.856   0.742   3.092
   53   3HD1  ILE   5          1HD1      ILE   5   1.908   1.460   1.788
   54    H    ASN   6           H        ASN   6   6.833   1.045   5.579
   55    HA   ASN   6           HA       ASN   6   8.591   3.423   5.990
   56   1HB   ASN   6          2HB       ASN   6   8.992   0.885   7.528
   57   2HB   ASN   6          1HB       ASN   6   9.301   2.553   8.022
   58   1HD2  ASN   6          2HD2      ASN   6   6.171   1.283   9.717
   59   2HD2  ASN   6          1HD2      ASN   6   7.765   0.702   9.643
   60    H    GLY   7           H        GLY   7   9.825   3.332   4.127
   61   1HA   GLY   7          2HA       GLY   7  10.771   0.858   2.986
   62   2HA   GLY   7          1HA       GLY   7  11.347   2.475   2.559
   63    H    GLU   8           H        GLU   8  11.660   2.544   5.758
   64    HA   GLU   8           HA       GLU   8  14.510   1.929   5.622
   65   1HB   GLU   8          2HB       GLU   8  13.837   3.901   6.871
   66   2HB   GLU   8          1HB       GLU   8  12.766   2.934   7.884
   67   1HG   GLU   8          2HG       GLU   8  14.465   2.304   9.232
   68   2HG   GLU   8          1HG       GLU   8  15.482   1.872   7.857
   69    H    GLN   9           H        GLN   9  11.677   0.263   6.419
   70    HA   GLN   9           HA       GLN   9  13.263  -1.811   7.873
   71   1HB   GLN   9          2HB       GLN   9  11.431  -0.601   9.195
   72   2HB   GLN   9          1HB       GLN   9  10.281  -1.414   8.131
   73   1HG   GLN   9          2HG       GLN   9  10.377  -3.094   9.659
   74   2HG   GLN   9          1HG       GLN   9  11.906  -3.494   8.876
   75   1HE2  GLN   9          2HE2      GLN   9  11.997  -1.507  12.479
   76   2HE2  GLN   9          1HE2      GLN   9  10.610  -1.394  11.508
   77    H    ILE  10           H        ILE  10  11.206  -1.071   5.237
   78    HA   ILE  10           HA       ILE  10  10.338  -3.774   4.661
   79    HB   ILE  10           HB       ILE  10  10.528  -1.301   2.919
   80   1HG1  ILE  10          2HG1      ILE  10   8.909  -1.261   4.837
   81   2HG1  ILE  10          1HG1      ILE  10   8.121  -1.172   3.263
   82   1HG2  ILE  10          1HG2      ILE  10  10.097  -4.076   2.222
   83   2HG2  ILE  10          3HG2      ILE  10   8.653  -3.125   1.873
   84   3HG2  ILE  10          2HG2      ILE  10  10.202  -2.670   1.163
   85   1HD1  ILE  10          2HD1      ILE  10   8.110  -3.831   3.538
   86   2HD1  ILE  10          1HD1      ILE  10   8.154  -3.403   5.248
   87   3HD1  ILE  10          3HD1      ILE  10   6.836  -2.828   4.230
   88    H    ARG  11           H        ARG  11  12.108  -5.157   4.572
   89    HA   ARG  11           HA       ARG  11  14.611  -4.568   3.303
   90   1HB   ARG  11          2HB       ARG  11  13.722  -7.385   3.098
   91   2HB   ARG  11          1HB       ARG  11  15.191  -6.719   3.814
   92   1HG   ARG  11          2HG       ARG  11  13.725  -5.908   5.737
   93   2HG   ARG  11          1HG       ARG  11  12.448  -6.920   5.056
   94   1HD   ARG  11          2HD       ARG  11  13.639  -8.909   5.458
   95   2HD   ARG  11          1HD       ARG  11  15.182  -8.066   5.596
   96    HE   ARG  11           HE       ARG  11  13.085  -7.603   7.662
   97   1HH1  ARG  11          2HH1      ARG  11  16.287  -7.163   7.130
   98   2HH1  ARG  11          1HH1      ARG  11  16.858  -8.025   8.518
   99   1HH2  ARG  11          1HH2      ARG  11  13.764  -9.403   9.265
  100   2HH2  ARG  11          2HH2      ARG  11  15.430  -9.294   9.728
  101    H    SER  12           H        SER  12  11.665  -6.134   2.146
  102    HA   SER  12           HA       SER  12  12.319  -5.300  -0.615
  103   1HB   SER  12          2HB       SER  12  13.225  -7.695  -0.104
  104   2HB   SER  12          1HB       SER  12  11.529  -8.170  -0.134
  105    HG   SER  12           HG       SER  12  11.694  -8.134  -2.219
  106    H    ILE  13           H        ILE  13  10.306  -6.088  -2.055
  107    HA   ILE  13           HA       ILE  13   7.996  -4.830  -1.017
  108    HB   ILE  13           HB       ILE  13   8.454  -5.421  -3.451
  109   1HG1  ILE  13          2HG1      ILE  13   5.940  -6.063  -3.801
  110   2HG1  ILE  13          1HG1      ILE  13   5.834  -5.870  -2.050
  111   1HG2  ILE  13          2HG2      ILE  13   8.524  -8.013  -2.406
  112   2HG2  ILE  13          1HG2      ILE  13   6.990  -7.930  -3.271
  113   3HG2  ILE  13          3HG2      ILE  13   8.498  -7.578  -4.115
  114   1HD1  ILE  13          1HD1      ILE  13   7.193  -3.718  -3.616
  115   2HD1  ILE  13          3HD1      ILE  13   5.433  -3.807  -3.682
  116   3HD1  ILE  13          2HD1      ILE  13   6.248  -3.599  -2.132
  117    H    SER  14           H        SER  14   9.289  -7.960  -0.392
  118    HA   SER  14           HA       SER  14   6.931  -9.395   0.295
  119   1HB   SER  14          2HB       SER  14   8.831 -10.745   0.296
  120   2HB   SER  14          1HB       SER  14   9.812  -9.538   1.122
  121    HG   SER  14           HG       SER  14   9.135 -10.272   2.982
  122    H    ASP  15           H        ASP  15   8.999  -7.235   2.244
  123    HA   ASP  15           HA       ASP  15   7.342  -7.497   4.607
  124   1HB   ASP  15          2HB       ASP  15   9.794  -6.114   3.822
  125   2HB   ASP  15          1HB       ASP  15   8.774  -5.129   4.864
  126    H    LEU  16           H        LEU  16   7.315  -5.597   1.752
  127    HA   LEU  16           HA       LEU  16   5.767  -3.360   2.651
  128   1HB   LEU  16          2HB       LEU  16   6.963  -3.603   0.415
  129   2HB   LEU  16          1HB       LEU  16   5.639  -4.645  -0.088
  130    HG   LEU  16           HG       LEU  16   4.319  -2.870  -0.543
  131   1HD1  LEU  16          3HD1      LEU  16   5.177  -1.711   2.127
  132   2HD1  LEU  16          2HD1      LEU  16   3.985  -0.969   1.063
  133   3HD1  LEU  16          1HD1      LEU  16   3.666  -2.548   1.772
  134   1HD2  LEU  16          1HD2      LEU  16   6.935  -2.053  -0.788
  135   2HD2  LEU  16          3HD2      LEU  16   5.533  -1.171  -1.396
  136   3HD2  LEU  16          2HD2      LEU  16   6.221  -0.762   0.177
  137    H    HIS  17           H        HIS  17   4.806  -6.432   1.088
  138    HA   HIS  17           HA       HIS  17   2.017  -6.077   1.196
  139   1HB   HIS  17          2HB       HIS  17   3.554  -8.643   1.643
  140   2HB   HIS  17          1HB       HIS  17   1.889  -8.512   1.066
  141    HD1  HIS  17           HD1      HIS  17   2.867  -9.886  -1.048
  142    HD2  HIS  17           HD2      HIS  17   4.266  -5.977  -0.650
  143    HE1  HIS  17           HE1      HIS  17   3.902  -9.264  -3.271
  144    H    GLN  18           H        GLN  18   4.315  -6.771   3.680
  145    HA   GLN  18           HA       GLN  18   2.329  -7.667   5.622
  146   1HB   GLN  18          2HB       GLN  18   5.157  -6.745   6.163
  147   2HB   GLN  18          1HB       GLN  18   4.157  -7.774   7.189
  148   1HG   GLN  18          2HG       GLN  18   4.091  -9.446   5.291
  149   2HG   GLN  18          1HG       GLN  18   5.300  -8.457   4.469
  150   1HE2  GLN  18          2HE2      GLN  18   6.645 -11.127   7.029
  151   2HE2  GLN  18          1HE2      GLN  18   5.184 -11.217   6.171
  152    H    THR  19           H        THR  19   3.939  -4.697   4.785
  153    HA   THR  19           HA       THR  19   3.046  -3.231   7.113
  154    HB   THR  19           HB       THR  19   4.101  -2.364   4.419
  155    HG1  THR  19           HG1      THR  19   5.825  -1.670   5.824
  156   1HG2  THR  19          2HG2      THR  19   2.839  -0.775   6.598
  157   2HG2  THR  19          1HG2      THR  19   4.310  -0.120   5.878
  158   3HG2  THR  19          3HG2      THR  19   2.905  -0.456   4.865
  159    H    LEU  20           H        LEU  20   1.791  -3.728   3.896
  160    HA   LEU  20           HA       LEU  20  -0.485  -1.925   4.317
  161   1HB   LEU  20          2HB       LEU  20  -0.462  -4.030   2.183
  162   2HB   LEU  20          1HB       LEU  20  -1.083  -2.378   2.108
  163    HG   LEU  20           HG       LEU  20   1.816  -3.201   2.190
  164   1HD1  LEU  20          3HD1      LEU  20  -0.057  -2.813   0.044
  165   2HD1  LEU  20          2HD1      LEU  20   1.190  -1.568  -0.041
  166   3HD1  LEU  20          1HD1      LEU  20   1.644  -3.272  -0.053
  167   1HD2  LEU  20          2HD2      LEU  20   1.000  -1.003   3.374
  168   2HD2  LEU  20          1HD2      LEU  20   2.404  -0.940   2.309
  169   3HD2  LEU  20          3HD2      LEU  20   0.829  -0.403   1.724
  170    H    LYS  21           H        LYS  21   0.290  -5.321   4.463
  171    HA   LYS  21           HA       LYS  21  -2.442  -6.217   4.925
  172   1HB   LYS  21          2HB       LYS  21  -0.835  -7.815   4.075
  173   2HB   LYS  21          1HB       LYS  21   0.255  -7.504   5.429
  174   1HG   LYS  21          2HG       LYS  21  -0.871  -8.921   6.786
  175   2HG   LYS  21          1HG       LYS  21  -2.432  -8.251   6.307
  176   1HD   LYS  21          2HD       LYS  21  -2.790  -9.882   4.773
  177   2HD   LYS  21          1HD       LYS  21  -1.127  -9.817   4.189
  178   1HE   LYS  21          2HE       LYS  21  -1.432 -11.985   5.188
  179   2HE   LYS  21          1HE       LYS  21  -0.443 -11.039   6.302
  180   1HZ   LYS  21          1HZ       LYS  21  -3.099 -10.531   6.932
  181   2HZ   LYS  21          3HZ       LYS  21  -2.966 -12.211   6.745
  182   3HZ   LYS  21          2HZ       LYS  21  -1.962 -11.398   7.848
  183    H    LYS  22           H        LYS  22   0.065  -4.794   6.813
  184    HA   LYS  22           HA       LYS  22  -1.036  -5.714   9.384
  185   1HB   LYS  22          2HB       LYS  22   1.298  -5.483   9.482
  186   2HB   LYS  22          1HB       LYS  22   1.288  -4.000   8.530
  187   1HG   LYS  22          2HG       LYS  22   1.761  -3.477  10.877
  188   2HG   LYS  22          1HG       LYS  22   0.188  -2.820  10.418
  189   1HD   LYS  22          2HD       LYS  22  -0.878  -4.894  11.363
  190   2HD   LYS  22          1HD       LYS  22   0.710  -5.375  11.964
  191   1HE   LYS  22          2HE       LYS  22  -0.413  -2.658  12.618
  192   2HE   LYS  22          1HE       LYS  22  -0.873  -4.071  13.568
  193   1HZ   LYS  22          2HZ       LYS  22   1.851  -4.242  13.298
  194   2HZ   LYS  22          1HZ       LYS  22   1.560  -2.595  13.598
  195   3HZ   LYS  22          3HZ       LYS  22   1.001  -3.766  14.690
  196    H    GLU  23           H        GLU  23  -0.806  -2.643   7.554
  197    HA   GLU  23           HA       GLU  23  -2.367  -1.209   9.555
  198   1HB   GLU  23          2HB       GLU  23  -1.840  -0.346   6.710
  199   2HB   GLU  23          1HB       GLU  23  -2.190   0.682   8.099
  200   1HG   GLU  23          2HG       GLU  23   0.206  -1.130   8.163
  201   2HG   GLU  23          1HG       GLU  23   0.297   0.404   7.299
  202    H    LEU  24           H        LEU  24  -2.947  -2.298   6.266
  203    HA   LEU  24           HA       LEU  24  -5.772  -1.654   6.328
  204   1HB   LEU  24          2HB       LEU  24  -4.455  -3.619   4.447
  205   2HB   LEU  24          1HB       LEU  24  -5.851  -2.584   4.143
  206    HG   LEU  24           HG       LEU  24  -3.170  -1.377   4.802
  207   1HD1  LEU  24          3HD1      LEU  24  -2.997  -3.003   2.859
  208   2HD1  LEU  24          2HD1      LEU  24  -4.131  -1.960   2.001
  209   3HD1  LEU  24          1HD1      LEU  24  -2.561  -1.334   2.502
  210   1HD2  LEU  24          1HD2      LEU  24  -5.651  -0.300   4.532
  211   2HD2  LEU  24          3HD2      LEU  24  -4.160   0.576   4.198
  212   3HD2  LEU  24          2HD2      LEU  24  -5.059  -0.169   2.875
  213    H    ALA  25           H        ALA  25  -3.826  -4.323   7.357
  214    HA   ALA  25           HA       ALA  25  -4.412  -6.331   8.417
  215   1HB   ALA  25          2HB       ALA  25  -6.323  -4.459   9.203
  216   2HB   ALA  25          1HB       ALA  25  -7.281  -5.825   8.630
  217   3HB   ALA  25          3HB       ALA  25  -6.090  -6.059   9.909
  218    H    LEU  26           H        LEU  26  -4.266  -6.430   5.693
  219    HA   LEU  26           HA       LEU  26  -6.658  -7.445   4.434
  220   1HB   LEU  26          2HB       LEU  26  -3.796  -7.997   3.599
  221   2HB   LEU  26          1HB       LEU  26  -5.229  -7.981   2.575
  222    HG   LEU  26           HG       LEU  26  -4.248  -5.548   4.082
  223   1HD1  LEU  26          1HD1      LEU  26  -3.519  -6.697   1.446
  224   2HD1  LEU  26          3HD1      LEU  26  -3.835  -4.964   1.479
  225   3HD1  LEU  26          2HD1      LEU  26  -2.580  -5.652   2.512
  226   1HD2  LEU  26          3HD2      LEU  26  -6.722  -6.117   2.999
  227   2HD2  LEU  26          2HD2      LEU  26  -6.075  -4.492   3.237
  228   3HD2  LEU  26          1HD2      LEU  26  -5.912  -5.286   1.670
  229    HA   PRO  27           HA       PRO  27  -6.619 -11.647   5.678
  230   1HB   PRO  27          2HB       PRO  27  -7.379 -12.909   3.360
  231   2HB   PRO  27          1HB       PRO  27  -8.484 -11.960   4.371
  232   1HG   PRO  27          2HG       PRO  27  -7.258 -11.248   1.748
  233   2HG   PRO  27          1HG       PRO  27  -8.775 -10.683   2.466
  234   1HD   PRO  27          2HD       PRO  27  -6.341  -9.258   2.382
  235   2HD   PRO  27          1HD       PRO  27  -7.751  -8.844   3.380
  236    H    GLU  28           H        GLU  28  -5.731 -13.779   5.273
  237    HA   GLU  28           HA       GLU  28  -2.970 -13.844   4.951
  238   1HB   GLU  28          2HB       GLU  28  -3.447 -16.356   4.438
  239   2HB   GLU  28          1HB       GLU  28  -3.932 -15.688   5.996
  240   1HG   GLU  28          2HG       GLU  28  -6.071 -15.230   4.173
  241   2HG   GLU  28          1HG       GLU  28  -5.580 -16.914   4.003
  242    H    TYR  29           H        TYR  29  -5.252 -15.163   2.527
  243    HA   TYR  29           HA       TYR  29  -3.340 -15.530   0.488
  244   1HB   TYR  29          2HB       TYR  29  -5.393 -15.338  -1.045
  245   2HB   TYR  29          1HB       TYR  29  -5.448 -16.578   0.214
  246    HD1  TYR  29           HD1      TYR  29  -6.531 -13.122  -0.653
  247    HD2  TYR  29           HD2      TYR  29  -7.019 -16.474   1.998
  248    HE1  TYR  29           HE1      TYR  29  -8.575 -12.081   0.294
  249    HE2  TYR  29           HE2      TYR  29  -9.063 -15.428   2.943
  250    HH   TYR  29           HH       TYR  29 -10.580 -13.782   2.671
  251    H    TYR  30           H        TYR  30  -4.618 -12.624   1.710
  252    HA   TYR  30           HA       TYR  30  -4.960 -10.730  -0.129
  253   1HB   TYR  30          2HB       TYR  30  -4.567  -9.883   2.025
  254   2HB   TYR  30          1HB       TYR  30  -3.012 -10.701   2.168
  255    HD1  TYR  30           HD1      TYR  30  -4.210  -8.764  -0.769
  256    HD2  TYR  30           HD2      TYR  30  -1.584  -8.839   2.630
  257    HE1  TYR  30           HE1      TYR  30  -3.059  -6.734  -1.612
  258    HE2  TYR  30           HE2      TYR  30  -0.430  -6.815   1.786
  259    HH   TYR  30           HH       TYR  30  -0.170  -5.782  -0.779
  260    H    GLY  31           H        GLY  31  -4.226 -10.750  -2.193
  261   1HA   GLY  31          2HA       GLY  31  -1.779 -11.799  -3.119
  262   2HA   GLY  31          1HA       GLY  31  -2.711 -10.567  -3.977
  263    H    GLU  32           H        GLU  32  -1.968  -8.495  -3.980
  264    HA   GLU  32           HA       GLU  32  -0.601  -6.987  -2.171
  265   1HB   GLU  32          2HB       GLU  32   1.849  -7.365  -2.834
  266   2HB   GLU  32          1HB       GLU  32   1.131  -8.583  -1.782
  267   1HG   GLU  32          2HG       GLU  32   1.894 -10.064  -3.330
  268   2HG   GLU  32          1HG       GLU  32   0.490  -9.556  -4.268
  269    H    ASN  33           H        ASN  33  -0.996  -7.994  -5.443
  270    HA   ASN  33           HA       ASN  33   0.338  -5.649  -6.580
  271   1HB   ASN  33          2HB       ASN  33  -1.539  -7.193  -8.232
  272   2HB   ASN  33          1HB       ASN  33   0.087  -6.650  -8.606
  273   1HD2  ASN  33          2HD2      ASN  33  -0.472 -10.319  -6.882
  274   2HD2  ASN  33          1HD2      ASN  33  -1.764  -9.225  -6.992
  275    H    LEU  34           H        LEU  34  -1.656  -5.155  -8.626
  276    HA   LEU  34           HA       LEU  34  -3.298  -3.279  -7.087
  277   1HB   LEU  34          2HB       LEU  34  -4.198  -3.316  -9.783
  278   2HB   LEU  34          1HB       LEU  34  -3.227  -2.085  -8.988
  279    HG   LEU  34           HG       LEU  34  -2.106  -4.577 -10.304
  280   1HD1  LEU  34          2HD1      LEU  34  -2.530  -1.754 -11.257
  281   2HD1  LEU  34          1HD1      LEU  34  -1.196  -2.717 -11.892
  282   3HD1  LEU  34          3HD1      LEU  34  -2.859  -3.268 -12.099
  283   1HD2  LEU  34          3HD2      LEU  34  -1.013  -2.825  -8.386
  284   2HD2  LEU  34          2HD2      LEU  34  -0.131  -3.990  -9.374
  285   3HD2  LEU  34          1HD2      LEU  34  -0.313  -2.325  -9.925
  286    H    ASP  35           H        ASP  35  -3.648  -6.500  -8.015
  287    HA   ASP  35           HA       ASP  35  -6.542  -6.370  -8.438
  288   1HB   ASP  35          2HB       ASP  35  -5.985  -9.000  -7.888
  289   2HB   ASP  35          1HB       ASP  35  -6.043  -8.289  -9.496
  290    H    ALA  36           H        ALA  36  -4.535  -8.042  -5.978
  291    HA   ALA  36           HA       ALA  36  -6.776  -8.466  -4.235
  292   1HB   ALA  36          3HB       ALA  36  -3.900  -9.000  -4.192
  293   2HB   ALA  36          2HB       ALA  36  -4.557  -8.618  -2.600
  294   3HB   ALA  36          1HB       ALA  36  -5.231  -9.957  -3.531
  295    H    LEU  37           H        LEU  37  -4.147  -6.114  -4.143
  296    HA   LEU  37           HA       LEU  37  -4.941  -4.814  -1.731
  297   1HB   LEU  37          2HB       LEU  37  -2.769  -4.436  -2.906
  298   2HB   LEU  37          1HB       LEU  37  -3.647  -3.533  -4.141
  299    HG   LEU  37           HG       LEU  37  -4.536  -2.471  -1.705
  300   1HD1  LEU  37          1HD1      LEU  37  -1.543  -2.950  -1.728
  301   2HD1  LEU  37          3HD1      LEU  37  -2.330  -1.754  -0.699
  302   3HD1  LEU  37          2HD1      LEU  37  -2.696  -3.467  -0.498
  303   1HD2  LEU  37          3HD2      LEU  37  -2.749  -1.621  -3.951
  304   2HD2  LEU  37          2HD2      LEU  37  -4.316  -0.984  -3.462
  305   3HD2  LEU  37          1HD2      LEU  37  -2.872  -0.574  -2.536
  306    H    TRP  38           H        TRP  38  -5.582  -3.864  -5.110
  307    HA   TRP  38           HA       TRP  38  -7.397  -1.763  -4.562
  308   1HB   TRP  38          2HB       TRP  38  -6.478  -2.261  -6.810
  309   2HB   TRP  38          1HB       TRP  38  -7.368  -3.771  -6.817
  310    HD1  TRP  38           HD1      TRP  38  -9.317  -3.697  -8.247
  311    HE1  TRP  38           HE1      TRP  38 -11.113  -1.987  -8.949
  312    HE3  TRP  38           HE3      TRP  38  -7.728   0.397  -5.623
  313    HZ2  TRP  38           HZ2      TRP  38 -11.768   0.747  -8.484
  314    HZ3  TRP  38           HZ3      TRP  38  -8.939   2.541  -5.804
  315    HH2  TRP  38           HH2      TRP  38 -10.962   2.721  -7.219
  316    H    ASP  39           H        ASP  39  -7.852  -5.223  -4.863
  317    HA   ASP  39           HA       ASP  39 -10.696  -5.254  -4.600
  318   1HB   ASP  39          2HB       ASP  39  -8.512  -7.200  -4.452
  319   2HB   ASP  39          1HB       ASP  39  -9.845  -7.581  -3.359
  320    H    ALA  40           H        ALA  40  -8.112  -4.950  -2.295
  321    HA   ALA  40           HA       ALA  40  -9.875  -5.336   0.022
  322   1HB   ALA  40          1HB       ALA  40  -7.380  -5.883  -0.003
  323   2HB   ALA  40          3HB       ALA  40  -7.094  -4.143   0.050
  324   3HB   ALA  40          2HB       ALA  40  -7.947  -4.938   1.375
  325    H    LEU  41           H        LEU  41  -7.746  -2.600  -0.782
  326    HA   LEU  41           HA       LEU  41  -8.853  -0.597   0.694
  327   1HB   LEU  41          2HB       LEU  41  -7.809  -0.548  -2.123
  328   2HB   LEU  41          1HB       LEU  41  -8.391   0.930  -1.359
  329    HG   LEU  41           HG       LEU  41  -6.466  -0.797   0.146
  330   1HD1  LEU  41          1HD1      LEU  41  -5.506  -0.533  -2.149
  331   2HD1  LEU  41          3HD1      LEU  41  -5.638   1.216  -1.973
  332   3HD1  LEU  41          2HD1      LEU  41  -4.557   0.302  -0.918
  333   1HD2  LEU  41          1HD2      LEU  41  -7.726   1.513   0.754
  334   2HD2  LEU  41          3HD2      LEU  41  -6.146   1.077   1.401
  335   3HD2  LEU  41          2HD2      LEU  41  -6.262   2.158   0.012
  336    H    THR  42           H        THR  42 -10.022  -1.500  -2.505
  337    HA   THR  42           HA       THR  42 -12.444   0.122  -2.153
  338    HB   THR  42           HB       THR  42 -12.870  -0.287  -4.411
  339    HG1  THR  42           HG1      THR  42 -12.724  -2.221  -5.204
  340   1HG2  THR  42          1HG2      THR  42 -10.606   0.763  -3.997
  341   2HG2  THR  42          3HG2      THR  42  -9.896  -0.830  -4.261
  342   3HG2  THR  42          2HG2      THR  42 -10.779  -0.030  -5.562
  343    H    GLY  43           H        GLY  43 -12.372  -1.774  -0.122
  344   1HA   GLY  43          2HA       GLY  43 -14.768  -2.869   0.189
  345   2HA   GLY  43          1HA       GLY  43 -14.137  -3.986  -1.024
  346    H    TRP  44           H        TRP  44 -12.350  -2.504   1.706
  347    HA   TRP  44           HA       TRP  44 -12.476  -4.885   3.342
  348   1HB   TRP  44          2HB       TRP  44 -11.020  -5.814   1.601
  349   2HB   TRP  44          1HB       TRP  44  -9.937  -4.429   1.753
  350    HD1  TRP  44           HD1      TRP  44  -8.906  -4.065   4.328
  351    HE1  TRP  44           HE1      TRP  44  -8.047  -5.868   5.956
  352    HE3  TRP  44           HE3      TRP  44 -11.154  -8.191   2.338
  353    HZ2  TRP  44           HZ2      TRP  44  -8.285  -8.697   6.361
  354    HZ3  TRP  44           HZ3      TRP  44 -10.826 -10.424   3.362
  355    HH2  TRP  44           HH2      TRP  44  -9.395 -10.680   5.370
  356    H    VAL  45           H        VAL  45 -10.564  -2.086   2.391
  357    HA   VAL  45           HA       VAL  45  -9.531  -1.652   5.084
  358    HB   VAL  45           HB       VAL  45  -9.320  -0.369   2.403
  359   1HG1  VAL  45          3HG1      VAL  45  -9.898   1.512   3.894
  360   2HG1  VAL  45          2HG1      VAL  45  -8.548   1.073   4.943
  361   3HG1  VAL  45          1HG1      VAL  45  -8.244   1.617   3.294
  362   1HG2  VAL  45          1HG2      VAL  45  -7.344  -1.106   4.578
  363   2HG2  VAL  45          3HG2      VAL  45  -7.689  -2.042   3.121
  364   3HG2  VAL  45          2HG2      VAL  45  -6.909  -0.464   2.993
  365    H    GLU  46           H        GLU  46  -9.928   0.597   6.093
  366    HA   GLU  46           HA       GLU  46 -12.804   1.343   5.744
  367   1HB   GLU  46          2HB       GLU  46 -12.261   0.150   7.906
  368   2HB   GLU  46          1HB       GLU  46 -11.209   1.505   8.316
  369   1HG   GLU  46          2HG       GLU  46 -13.819   2.433   7.432
  370   2HG   GLU  46          1HG       GLU  46 -13.961   1.334   8.805
  371    H    TYR  47           H        TYR  47 -12.890   3.298   4.810
  372    HA   TYR  47           HA       TYR  47 -10.672   5.213   5.171
  373   1HB   TYR  47          2HB       TYR  47 -13.185   5.419   3.480
  374   2HB   TYR  47          1HB       TYR  47 -11.754   6.444   3.354
  375    HD1  TYR  47           HD2      TYR  47  -9.510   4.606   3.562
  376    HD2  TYR  47           HD1      TYR  47 -13.281   4.076   1.565
  377    HE1  TYR  47           HE2      TYR  47  -8.464   2.959   2.022
  378    HE2  TYR  47           HE1      TYR  47 -12.231   2.436   0.028
  379    HH   TYR  47           HH       TYR  47 -10.051   1.844  -0.805
  380    HA   PRO  48           HA       PRO  48 -10.970   7.628   4.433
  381   1HB   PRO  48          2HB       PRO  48  -9.843   9.588   5.997
  382   2HB   PRO  48          1HB       PRO  48 -11.333   9.799   5.056
  383   1HG   PRO  48          2HG       PRO  48 -11.009   9.382   8.000
  384   2HG   PRO  48          1HG       PRO  48 -12.268  10.266   7.122
  385   1HD   PRO  48          2HD       PRO  48 -12.574   7.698   8.195
  386   2HD   PRO  48          1HD       PRO  48 -13.598   8.398   6.921
  387    H    LEU  49           H        LEU  49  -8.914   6.954   4.068
  388    HA   LEU  49           HA       LEU  49  -7.431   5.770   6.372
  389   1HB   LEU  49          2HB       LEU  49  -7.845   4.023   4.876
  390   2HB   LEU  49          1HB       LEU  49  -7.711   5.071   3.467
  391    HG   LEU  49           HG       LEU  49  -5.217   5.282   4.051
  392   1HD1  LEU  49          3HD1      LEU  49  -5.704   4.272   6.403
  393   2HD1  LEU  49          2HD1      LEU  49  -5.710   2.720   5.569
  394   3HD1  LEU  49          1HD1      LEU  49  -4.262   3.722   5.550
  395   1HD2  LEU  49          1HD2      LEU  49  -6.717   3.182   2.758
  396   2HD2  LEU  49          3HD2      LEU  49  -5.165   3.890   2.296
  397   3HD2  LEU  49          2HD2      LEU  49  -5.220   2.543   3.437
  398    H    VAL  50           H        VAL  50  -5.036   5.979   6.254
  399    HA   VAL  50           HA       VAL  50  -4.176   8.413   4.743
  400    HB   VAL  50           HB       VAL  50  -4.095   7.831   7.629
  401   1HG1  VAL  50          3HG1      VAL  50  -1.562   8.461   6.146
  402   2HG1  VAL  50          2HG1      VAL  50  -1.841   9.214   7.716
  403   3HG1  VAL  50          1HG1      VAL  50  -1.800   7.456   7.576
  404   1HG2  VAL  50          1HG2      VAL  50  -5.057   9.829   6.261
  405   2HG2  VAL  50          3HG2      VAL  50  -4.238  10.165   7.787
  406   3HG2  VAL  50          2HG2      VAL  50  -3.393  10.415   6.259
  407    H    LEU  51           H        LEU  51  -3.064   7.335   3.091
  408    HA   LEU  51           HA       LEU  51  -1.300   5.071   3.730
  409   1HB   LEU  51          2HB       LEU  51  -2.586   5.250   1.565
  410   2HB   LEU  51          1HB       LEU  51  -1.531   6.600   1.129
  411    HG   LEU  51           HG       LEU  51   0.418   4.962   1.609
  412   1HD1  LEU  51          1HD1      LEU  51  -1.969   3.173   1.596
  413   2HD1  LEU  51          3HD1      LEU  51  -0.437   2.582   0.939
  414   3HD1  LEU  51          2HD1      LEU  51  -0.528   3.111   2.625
  415   1HD2  LEU  51          3HD2      LEU  51  -1.461   4.701  -0.730
  416   2HD2  LEU  51          2HD2      LEU  51   0.011   5.674  -0.625
  417   3HD2  LEU  51          1HD2      LEU  51   0.117   3.915  -0.677
  418    H    GLU  52           H        GLU  52  -0.106   6.682   5.287
  419    HA   GLU  52           HA       GLU  52   1.603   8.696   4.145
  420   1HB   GLU  52          2HB       GLU  52   1.188   8.752   6.517
  421   2HB   GLU  52          1HB       GLU  52   1.764   7.095   6.714
  422   1HG   GLU  52          2HG       GLU  52   3.998   7.697   6.454
  423   2HG   GLU  52          1HG       GLU  52   3.606   9.146   5.528
  424    H    TRP  53           H        TRP  53   2.520   7.558   2.254
  425    HA   TRP  53           HA       TRP  53   4.151   5.189   2.721
  426   1HB   TRP  53          2HB       TRP  53   2.937   5.963   0.512
  427   2HB   TRP  53          1HB       TRP  53   4.440   6.854   0.246
  428    HD1  TRP  53           HD1      TRP  53   6.713   5.137   0.922
  429    HE1  TRP  53           HE1      TRP  53   7.119   2.776  -0.026
  430    HE3  TRP  53           HE3      TRP  53   1.979   3.968  -0.575
  431    HZ2  TRP  53           HZ2      TRP  53   5.626   0.675  -1.252
  432    HZ3  TRP  53           HZ3      TRP  53   1.495   1.787  -1.632
  433    HH2  TRP  53           HH2      TRP  53   3.315   0.130  -1.972
  434    H    ARG  54           H        ARG  54   6.257   5.227   3.385
  435    HA   ARG  54           HA       ARG  54   7.660   7.859   3.408
  436   1HB   ARG  54          2HB       ARG  54   8.420   5.329   4.894
  437   2HB   ARG  54          1HB       ARG  54   9.045   6.956   5.168
  438   1HG   ARG  54          2HG       ARG  54   6.675   7.664   5.716
  439   2HG   ARG  54          1HG       ARG  54   6.235   5.956   5.684
  440   1HD   ARG  54          2HD       ARG  54   6.717   6.573   7.981
  441   2HD   ARG  54          1HD       ARG  54   8.016   5.529   7.401
  442    HE   ARG  54           HE       ARG  54   8.496   8.420   7.111
  443   1HH1  ARG  54          2HH1      ARG  54  10.024   5.596   7.738
  444   2HH1  ARG  54          1HH1      ARG  54  10.893   6.124   9.140
  445   1HH2  ARG  54          1HH2      ARG  54   9.125   9.091   9.445
  446   2HH2  ARG  54          2HH2      ARG  54  10.385   8.103  10.106
  447    H    GLN  55           H        GLN  55   9.886   7.943   2.680
  448    HA   GLN  55           HA       GLN  55  11.541   7.481   1.077
  449   1HB   GLN  55          2HB       GLN  55  10.962   4.846   2.392
  450   2HB   GLN  55          1HB       GLN  55  12.042   4.886   0.997
  451   1HG   GLN  55          2HG       GLN  55  12.356   6.508   3.541
  452   2HG   GLN  55          1HG       GLN  55  13.341   5.125   3.063
  453   1HE2  GLN  55          2HE2      GLN  55  14.269   8.771   1.643
  454   2HE2  GLN  55          1HE2      GLN  55  13.113   8.529   2.862
  455    H    PHE  56           H        PHE  56   9.972   4.392   0.528
  456    HA   PHE  56           HA       PHE  56   8.551   3.668  -1.210
  457   1HB   PHE  56          2HB       PHE  56   7.548   5.975  -1.246
  458   2HB   PHE  56          1HB       PHE  56   8.803   6.447  -2.393
  459    HD1  PHE  56           HD1      PHE  56   5.832   4.329  -1.886
  460    HD2  PHE  56           HD2      PHE  56   8.837   5.616  -4.665
  461    HE1  PHE  56           HE1      PHE  56   4.533   3.343  -3.744
  462    HE2  PHE  56           HE2      PHE  56   7.536   4.636  -6.526
  463    HZ   PHE  56           HZ       PHE  56   5.381   3.498  -6.066
  464    H    GLU  57           H        GLU  57  10.608   6.079  -2.856
  465    HA   GLU  57           HA       GLU  57  11.304   4.685  -5.101
  466   1HB   GLU  57          2HB       GLU  57  12.220   6.971  -3.968
  467   2HB   GLU  57          1HB       GLU  57  13.637   5.939  -3.775
  468   1HG   GLU  57          2HG       GLU  57  14.018   6.779  -5.906
  469   2HG   GLU  57          1HG       GLU  57  13.122   5.310  -6.295
  470    H    GLN  58           H        GLN  58  13.341   4.504  -2.149
  471    HA   GLN  58           HA       GLN  58  15.047   2.465  -3.035
  472   1HB   GLN  58          2HB       GLN  58  15.060   1.850  -0.466
  473   2HB   GLN  58          1HB       GLN  58  15.731   3.382  -1.021
  474   1HG   GLN  58          2HG       GLN  58  14.181   4.556   0.115
  475   2HG   GLN  58          1HG       GLN  58  12.868   3.601  -0.575
  476   1HE2  GLN  58          2HE2      GLN  58  14.161   2.814   3.185
  477   2HE2  GLN  58          1HE2      GLN  58  14.837   4.067   2.260
  478    H    SER  59           H        SER  59  12.198   1.902  -0.914
  479    HA   SER  59           HA       SER  59  12.272  -0.924  -1.143
  480   1HB   SER  59          2HB       SER  59   9.588   0.283  -0.893
  481   2HB   SER  59          1HB       SER  59  10.406  -0.879   0.154
  482    HG   SER  59           HG       SER  59  10.283   1.852   0.293
  483    H    LYS  60           H        LYS  60  11.423   1.393  -3.483
  484    HA   LYS  60           HA       LYS  60   9.527  -0.305  -4.939
  485   1HB   LYS  60          2HB       LYS  60   9.517   2.246  -4.878
  486   2HB   LYS  60          1HB       LYS  60  10.907   2.171  -5.966
  487   1HG   LYS  60          2HG       LYS  60   9.072   0.395  -7.090
  488   2HG   LYS  60          1HG       LYS  60   8.081   1.751  -6.553
  489   1HD   LYS  60          2HD       LYS  60   9.082   3.238  -7.998
  490   2HD   LYS  60          1HD       LYS  60  10.634   2.400  -7.951
  491   1HE   LYS  60          2HE       LYS  60   9.673   0.569  -9.317
  492   2HE   LYS  60          1HE       LYS  60   8.144   1.441  -9.393
  493   1HZ   LYS  60          1HZ       LYS  60  10.440   3.011 -10.145
  494   2HZ   LYS  60          3HZ       LYS  60  10.151   1.692 -11.169
  495   3HZ   LYS  60          2HZ       LYS  60   8.934   2.849 -10.915
  496    H    GLN  61           H        GLN  61  12.980   0.309  -4.992
  497    HA   GLN  61           HA       GLN  61  13.369  -0.718  -7.687
  498   1HB   GLN  61          2HB       GLN  61  14.905   0.913  -6.518
  499   2HB   GLN  61          1HB       GLN  61  15.448  -0.434  -5.518
  500   1HG   GLN  61          2HG       GLN  61  16.903  -0.005  -7.532
  501   2HG   GLN  61          1HG       GLN  61  16.243  -1.639  -7.459
  502   1HE2  GLN  61          2HE2      GLN  61  14.256  -1.258 -10.371
  503   2HE2  GLN  61          1HE2      GLN  61  14.626  -2.243  -9.038
  504    H    LEU  62           H        LEU  62  14.576  -1.927  -4.626
  505    HA   LEU  62           HA       LEU  62  15.448  -4.418  -5.286
  506   1HB   LEU  62          2HB       LEU  62  14.013  -5.033  -2.984
  507   2HB   LEU  62          1HB       LEU  62  15.669  -4.427  -3.044
  508    HG   LEU  62           HG       LEU  62  14.864  -2.126  -2.892
  509   1HD1  LEU  62          1HD1      LEU  62  12.353  -3.421  -3.587
  510   2HD1  LEU  62          3HD1      LEU  62  12.173  -2.376  -2.189
  511   3HD1  LEU  62          2HD1      LEU  62  12.790  -1.715  -3.704
  512   1HD2  LEU  62          3HD2      LEU  62  13.581  -3.944  -0.835
  513   2HD2  LEU  62          2HD2      LEU  62  15.230  -3.319  -0.782
  514   3HD2  LEU  62          1HD2      LEU  62  13.861  -2.216  -0.628
  515    H    THR  63           H        THR  63  12.128  -3.425  -5.373
  516    HA   THR  63           HA       THR  63  11.286  -6.225  -5.926
  517    HB   THR  63           HB       THR  63  10.058  -4.802  -4.205
  518    HG1  THR  63           HG1      THR  63   7.955  -5.286  -5.477
  519   1HG2  THR  63          2HG2      THR  63  10.005  -3.008  -6.426
  520   2HG2  THR  63          1HG2      THR  63   8.344  -3.456  -6.035
  521   3HG2  THR  63          3HG2      THR  63   9.381  -2.749  -4.797
  522    H    GLU  64           H        GLU  64   8.890  -4.889  -7.375
  523    HA   GLU  64           HA       GLU  64  10.116  -3.752  -9.771
  524   1HB   GLU  64          2HB       GLU  64   8.971  -5.675 -11.153
  525   2HB   GLU  64          1HB       GLU  64  10.576  -5.937 -10.470
  526   1HG   GLU  64          2HG       GLU  64   9.830  -7.526  -9.040
  527   2HG   GLU  64          1HG       GLU  64   8.411  -6.575  -8.596
  528    H    ASN  65           H        ASN  65   8.564  -2.101  -9.038
  529    HA   ASN  65           HA       ASN  65   6.542  -0.974  -9.521
  530   1HB   ASN  65          2HB       ASN  65   6.530  -3.031 -11.359
  531   2HB   ASN  65          1HB       ASN  65   5.046  -3.322 -10.453
  532   1HD2  ASN  65          2HD2      ASN  65   3.838  -0.968 -12.927
  533   2HD2  ASN  65          1HD2      ASN  65   4.107  -2.628 -12.698
  534    H    GLY  66           H        GLY  66   7.089  -3.442  -7.411
  535   1HA   GLY  66          2HA       GLY  66   4.546  -4.161  -6.404
  536   2HA   GLY  66          1HA       GLY  66   6.020  -4.097  -5.432
  537    H    ALA  67           H        ALA  67   6.650  -1.426  -5.435
  538    HA   ALA  67           HA       ALA  67   4.663  -0.362  -3.605
  539   1HB   ALA  67          2HB       ALA  67   7.379   0.133  -4.187
  540   2HB   ALA  67          1HB       ALA  67   6.528   1.636  -4.547
  541   3HB   ALA  67          3HB       ALA  67   6.398   0.910  -2.944
  542    H    GLU  68           H        GLU  68   5.838   0.704  -6.814
  543    HA   GLU  68           HA       GLU  68   4.053   2.848  -7.159
  544   1HB   GLU  68          2HB       GLU  68   5.975   1.529  -8.722
  545   2HB   GLU  68          1HB       GLU  68   4.479   1.436  -9.650
  546   1HG   GLU  68          2HG       GLU  68   5.775   3.939  -8.537
  547   2HG   GLU  68          1HG       GLU  68   5.599   3.503 -10.238
  548    H    SER  69           H        SER  69   3.410  -0.532  -7.130
  549    HA   SER  69           HA       SER  69   0.916  -0.236  -8.675
  550   1HB   SER  69          2HB       SER  69   2.488  -2.506  -7.562
  551   2HB   SER  69          1HB       SER  69   0.748  -2.741  -7.685
  552    HG   SER  69           HG       SER  69   2.118  -3.274  -9.588
  553    H    VAL  70           H        VAL  70   1.739  -1.285  -5.324
  554    HA   VAL  70           HA       VAL  70  -0.899  -1.319  -4.366
  555    HB   VAL  70           HB       VAL  70   1.622  -0.422  -2.926
  556   1HG1  VAL  70          2HG1      VAL  70  -1.099  -0.148  -2.157
  557   2HG1  VAL  70          1HG1      VAL  70  -0.440  -1.484  -1.213
  558   3HG1  VAL  70          3HG1      VAL  70   0.330   0.102  -1.153
  559   1HG2  VAL  70          3HG2      VAL  70   0.684  -2.981  -3.788
  560   2HG2  VAL  70          2HG2      VAL  70   2.099  -2.625  -2.797
  561   3HG2  VAL  70          1HG2      VAL  70   0.538  -2.924  -2.031
  562    H    LEU  71           H        LEU  71   1.226   1.244  -5.283
  563    HA   LEU  71           HA       LEU  71  -0.377   3.272  -3.993
  564   1HB   LEU  71          2HB       LEU  71   2.208   3.191  -5.073
  565   2HB   LEU  71          1HB       LEU  71   1.312   4.277  -6.125
  566    HG   LEU  71           HG       LEU  71   1.672   5.893  -4.604
  567   1HD1  LEU  71          1HD1      LEU  71  -0.642   5.139  -3.842
  568   2HD1  LEU  71          3HD1      LEU  71   0.186   4.293  -2.529
  569   3HD1  LEU  71          2HD1      LEU  71   0.307   6.049  -2.660
  570   1HD2  LEU  71          2HD2      LEU  71   2.810   3.578  -3.155
  571   2HD2  LEU  71          1HD2      LEU  71   3.568   5.103  -3.617
  572   3HD2  LEU  71          3HD2      LEU  71   2.506   5.039  -2.211
  573    H    GLN  72           H        GLN  72   0.166   2.177  -7.346
  574    HA   GLN  72           HA       GLN  72  -1.546   4.000  -8.624
  575   1HB   GLN  72          2HB       GLN  72  -0.736   1.184  -9.151
  576   2HB   GLN  72          1HB       GLN  72  -2.159   1.770 -10.013
  577   1HG   GLN  72          2HG       GLN  72  -0.768   3.801 -10.675
  578   2HG   GLN  72          1HG       GLN  72   0.636   2.926 -10.061
  579   1HE2  GLN  72          2HE2      GLN  72  -1.292   1.048 -13.172
  580   2HE2  GLN  72          1HE2      GLN  72  -2.206   1.673 -11.885
  581    H    VAL  73           H        VAL  73  -2.270   1.302  -6.587
  582    HA   VAL  73           HA       VAL  73  -5.154   1.402  -7.128
  583    HB   VAL  73           HB       VAL  73  -3.548  -0.183  -5.114
  584   1HG1  VAL  73          2HG1      VAL  73  -6.001   0.260  -4.588
  585   2HG1  VAL  73          1HG1      VAL  73  -6.371  -0.641  -6.057
  586   3HG1  VAL  73          3HG1      VAL  73  -5.536  -1.437  -4.727
  587   1HG2  VAL  73          3HG2      VAL  73  -3.978  -0.396  -7.949
  588   2HG2  VAL  73          2HG2      VAL  73  -3.042  -1.463  -6.898
  589   3HG2  VAL  73          1HG2      VAL  73  -4.771  -1.757  -7.148
  590    H    PHE  74           H        PHE  74  -3.069   2.093  -4.284
  591    HA   PHE  74           HA       PHE  74  -5.028   2.902  -2.497
  592   1HB   PHE  74          2HB       PHE  74  -2.158   3.492  -2.944
  593   2HB   PHE  74          1HB       PHE  74  -3.032   4.688  -2.007
  594    HD1  PHE  74           HD2      PHE  74  -4.730   3.594  -0.191
  595    HD2  PHE  74           HD1      PHE  74  -1.186   1.742  -1.764
  596    HE1  PHE  74           HE2      PHE  74  -4.653   2.051   1.736
  597    HE2  PHE  74           HE1      PHE  74  -1.129   0.210   0.186
  598    HZ   PHE  74           HZ       PHE  74  -2.876   0.378   1.926
  599    H    ARG  75           H        ARG  75  -3.234   4.815  -4.853
  600    HA   ARG  75           HA       ARG  75  -4.719   7.231  -4.592
  601   1HB   ARG  75          2HB       ARG  75  -3.254   6.155  -7.022
  602   2HB   ARG  75          1HB       ARG  75  -3.736   7.829  -6.761
  603   1HG   ARG  75          2HG       ARG  75  -2.147   8.171  -5.089
  604   2HG   ARG  75          1HG       ARG  75  -2.050   6.455  -4.697
  605   1HD   ARG  75          2HD       ARG  75  -0.102   6.597  -5.893
  606   2HD   ARG  75          1HD       ARG  75  -1.197   6.365  -7.255
  607    HE   ARG  75           HE       ARG  75  -0.821   9.170  -6.502
  608   1HH1  ARG  75          2HH1      ARG  75  -1.444   8.356  -9.277
  609   2HH1  ARG  75          1HH1      ARG  75   0.089   8.494 -10.071
  610   1HH2  ARG  75          1HH2      ARG  75   1.913   8.543  -7.123
  611   2HH2  ARG  75          2HH2      ARG  75   1.989   8.600  -8.852
  612    H    GLU  76           H        GLU  76  -5.061   4.441  -6.861
  613    HA   GLU  76           HA       GLU  76  -7.203   5.500  -8.386
  614   1HB   GLU  76          2HB       GLU  76  -6.214   2.799  -7.699
  615   2HB   GLU  76          1HB       GLU  76  -7.903   2.879  -8.197
  616   1HG   GLU  76          2HG       GLU  76  -7.387   3.676 -10.309
  617   2HG   GLU  76          1HG       GLU  76  -5.846   4.357  -9.787
  618    H    ALA  77           H        ALA  77  -7.098   4.407  -5.114
  619    HA   ALA  77           HA       ALA  77  -9.999   4.070  -4.852
  620   1HB   ALA  77          2HB       ALA  77  -7.956   3.018  -3.466
  621   2HB   ALA  77          1HB       ALA  77  -8.238   4.447  -2.475
  622   3HB   ALA  77          3HB       ALA  77  -9.536   3.281  -2.729
  623    H    LYS  78           H        LYS  78  -7.614   6.371  -3.432
  624    HA   LYS  78           HA       LYS  78  -9.614   8.154  -2.451
  625   1HB   LYS  78          2HB       LYS  78  -7.679   9.797  -2.470
  626   2HB   LYS  78          1HB       LYS  78  -7.399   8.318  -1.560
  627   1HG   LYS  78          2HG       LYS  78  -5.558   8.001  -2.815
  628   2HG   LYS  78          1HG       LYS  78  -6.622   7.735  -4.193
  629   1HD   LYS  78          2HD       LYS  78  -5.696   9.568  -5.125
  630   2HD   LYS  78          1HD       LYS  78  -6.563  10.510  -3.911
  631   1HE   LYS  78          2HE       LYS  78  -4.566   9.979  -2.355
  632   2HE   LYS  78          1HE       LYS  78  -3.714   9.522  -3.831
  633   1HZ   LYS  78          1HZ       LYS  78  -5.135  12.071  -3.836
  634   2HZ   LYS  78          3HZ       LYS  78  -3.713  11.984  -2.917
  635   3HZ   LYS  78          2HZ       LYS  78  -3.669  11.642  -4.580
  636    H    ALA  79           H        ALA  79  -8.666   7.423  -5.607
  637    HA   ALA  79           HA       ALA  79  -9.297  10.080  -6.737
  638   1HB   ALA  79          3HB       ALA  79  -7.553   8.180  -7.550
  639   2HB   ALA  79          2HB       ALA  79  -8.977   7.671  -8.463
  640   3HB   ALA  79          1HB       ALA  79  -8.322   9.300  -8.675
  641    H    GLU  80           H        GLU  80 -10.298   6.779  -7.519
  642    HA   GLU  80           HA       GLU  80 -12.668   7.401  -8.861
  643   1HB   GLU  80          2HB       GLU  80 -12.221   4.962  -7.123
  644   2HB   GLU  80          1HB       GLU  80 -13.276   5.099  -8.526
  645   1HG   GLU  80          2HG       GLU  80 -10.535   5.891  -9.133
  646   2HG   GLU  80          1HG       GLU  80 -10.648   4.221  -8.577
  647    H    GLY  81           H        GLY  81 -12.513   6.249  -5.443
  648   1HA   GLY  81          2HA       GLY  81 -14.562   8.229  -4.716
  649   2HA   GLY  81          1HA       GLY  81 -15.129   6.557  -4.689
  650    H    ALA  82           H        ALA  82 -12.604   5.430  -3.779
  651    HA   ALA  82           HA       ALA  82 -12.903   5.251  -1.068
  652   1HB   ALA  82          1HB       ALA  82 -10.928   4.507  -2.862
  653   2HB   ALA  82          3HB       ALA  82 -10.067   5.558  -1.734
  654   3HB   ALA  82          2HB       ALA  82 -10.934   4.140  -1.136
  655    H    ASP  83           H        ASP  83 -11.997   6.326   0.779
  656    HA   ASP  83           HA       ASP  83 -11.382   9.209   0.280
  657   1HB   ASP  83          2HB       ASP  83 -13.081   7.827   2.206
  658   2HB   ASP  83          1HB       ASP  83 -11.912   8.875   3.009
  659    H    ILE  84           H        ILE  84  -9.234   7.768  -0.173
  660    HA   ILE  84           HA       ILE  84  -7.746   7.419   2.374
  661    HB   ILE  84           HB       ILE  84  -7.159   6.564  -0.473
  662   1HG1  ILE  84          2HG1      ILE  84  -7.237   4.646   1.754
  663   2HG1  ILE  84          1HG1      ILE  84  -8.774   5.443   1.425
  664   1HG2  ILE  84          1HG2      ILE  84  -5.087   7.217   0.797
  665   2HG2  ILE  84          3HG2      ILE  84  -5.539   6.043   2.036
  666   3HG2  ILE  84          2HG2      ILE  84  -5.152   5.499   0.402
  667   1HD1  ILE  84          1HD1      ILE  84  -7.224   4.429  -0.908
  668   2HD1  ILE  84          3HD1      ILE  84  -8.023   3.238   0.117
  669   3HD1  ILE  84          2HD1      ILE  84  -8.970   4.503  -0.664
  670    H    THR  85           H        THR  85  -5.588   8.318   2.546
  671    HA   THR  85           HA       THR  85  -5.208  10.797   0.920
  672    HB   THR  85           HB       THR  85  -4.090  10.434   3.697
  673    HG1  THR  85           HG1      THR  85  -6.713  10.990   2.911
  674   1HG2  THR  85          2HG2      THR  85  -3.620  12.338   1.887
  675   2HG2  THR  85          1HG2      THR  85  -5.109  12.999   2.564
  676   3HG2  THR  85          3HG2      THR  85  -3.718  12.706   3.609
  677    H    ILE  86           H        ILE  86  -3.781   9.907  -0.587
  678    HA   ILE  86           HA       ILE  86  -1.622   8.159   0.263
  679    HB   ILE  86           HB       ILE  86  -2.726   9.147  -2.279
  680   1HG1  ILE  86          2HG1      ILE  86  -2.415   6.874  -2.924
  681   2HG1  ILE  86          1HG1      ILE  86  -1.190   6.613  -1.687
  682   1HG2  ILE  86          1HG2      ILE  86  -0.419  10.064  -2.446
  683   2HG2  ILE  86          3HG2      ILE  86   0.226   8.458  -2.104
  684   3HG2  ILE  86          2HG2      ILE  86  -0.687   8.746  -3.586
  685   1HD1  ILE  86          1HD1      ILE  86  -3.546   7.494  -0.350
  686   2HD1  ILE  86          3HD1      ILE  86  -4.031   6.247  -1.497
  687   3HD1  ILE  86          2HD1      ILE  86  -2.800   5.895  -0.281
  688    H    ILE  87           H        ILE  87   0.170   8.853   1.210
  689    HA   ILE  87           HA       ILE  87   1.046  11.671   0.712
  690    HB   ILE  87           HB       ILE  87   2.171   9.981   2.917
  691   1HG1  ILE  87          2HG1      ILE  87  -0.309   9.675   2.985
  692   2HG1  ILE  87          1HG1      ILE  87   0.303  10.571   4.377
  693   1HG2  ILE  87          3HG2      ILE  87   2.300  12.686   2.075
  694   2HG2  ILE  87          2HG2      ILE  87   1.405  12.668   3.594
  695   3HG2  ILE  87          1HG2      ILE  87   3.023  11.973   3.517
  696   1HD1  ILE  87          2HD1      ILE  87  -0.170  12.679   2.904
  697   2HD1  ILE  87          1HD1      ILE  87  -1.224  11.594   1.997
  698   3HD1  ILE  87          3HD1      ILE  87  -1.518  11.882   3.712
  699    H    LEU  88           H        LEU  88   2.943  11.995  -0.364
  700    HA   LEU  88           HA       LEU  88   5.009   9.885  -0.368
  701   1HB   LEU  88          2HB       LEU  88   3.362  10.661  -2.743
  702   2HB   LEU  88          1HB       LEU  88   5.074  10.319  -2.993
  703    HG   LEU  88           HG       LEU  88   3.319   8.432  -1.427
  704   1HD1  LEU  88          1HD1      LEU  88   3.596   8.760  -4.402
  705   2HD1  LEU  88          3HD1      LEU  88   3.361   7.152  -3.718
  706   3HD1  LEU  88          2HD1      LEU  88   2.152   8.408  -3.453
  707   1HD2  LEU  88          2HD2      LEU  88   5.869   8.327  -1.402
  708   2HD2  LEU  88          1HD2      LEU  88   5.055   6.848  -1.910
  709   3HD2  LEU  88          3HD2      LEU  88   5.780   7.913  -3.114
  710    H    SER  89           HN       SER  89   6.808  11.024   0.160
  711    HA   SER  89           HA       SER  89   7.256  13.633  -1.224
  712   1HB   SER  89          2HB       SER  89   7.679  14.757   0.732
  713   2HB   SER  89          1HB       SER  89   6.579  13.543   1.390
  714    HG   SER  89           HG       SER  89   8.264  12.433   2.185
   
  No H/Q in entry =         714
  Start of MODEL   17
    1   1H    LYS   1          1H        LYS   1  -8.468   5.739   8.737
    2   2H    LYS   1          3H        LYS   1  -8.689   4.460   7.645
    3   3H    LYS   1          2H        LYS   1  -9.404   4.393   9.185
    4    HA   LYS   1           HA       LYS   1  -7.395   4.026  10.264
    5   1HB   LYS   1          2HB       LYS   1  -7.752   2.553   7.687
    6   2HB   LYS   1          1HB       LYS   1  -6.258   2.291   8.587
    7   1HG   LYS   1          2HG       LYS   1  -7.872   2.008  10.642
    8   2HG   LYS   1          1HG       LYS   1  -9.086   1.688   9.402
    9   1HD   LYS   1          2HD       LYS   1  -8.326  -0.431   9.320
   10   2HD   LYS   1          1HD       LYS   1  -6.835   0.200   8.621
   11   1HE   LYS   1          2HE       LYS   1  -5.761  -0.538  10.459
   12   2HE   LYS   1          1HE       LYS   1  -6.613   0.708  11.372
   13   1HZ   LYS   1          1HZ       LYS   1  -8.513  -1.040  11.352
   14   2HZ   LYS   1          3HZ       LYS   1  -7.257  -2.143  11.068
   15   3HZ   LYS   1          2HZ       LYS   1  -7.243  -1.183  12.471
   16    H    LYS   2           H        LYS   2  -4.915   3.665   9.845
   17    HA   LYS   2           HA       LYS   2  -3.907   5.739   7.953
   18   1HB   LYS   2          2HB       LYS   2  -3.808   6.908  10.002
   19   2HB   LYS   2          1HB       LYS   2  -3.344   5.465  10.903
   20   1HG   LYS   2          2HG       LYS   2  -1.134   5.678  10.362
   21   2HG   LYS   2          1HG       LYS   2  -1.486   6.265   8.737
   22   1HD   LYS   2          2HD       LYS   2  -2.255   8.439   9.830
   23   2HD   LYS   2          1HD       LYS   2  -1.529   7.834  11.321
   24   1HE   LYS   2          2HE       LYS   2   0.340   7.464   9.178
   25   2HE   LYS   2          1HE       LYS   2  -0.224   9.135   9.152
   26   1HZ   LYS   2          1HZ       LYS   2   0.146   8.709  11.775
   27   2HZ   LYS   2          3HZ       LYS   2   1.388   7.761  11.115
   28   3HZ   LYS   2          2HZ       LYS   2   1.298   9.417  10.746
   29    H    ALA   3           H        ALA   3  -2.838   4.431   6.520
   30    HA   ALA   3           HA       ALA   3  -1.192   2.196   7.564
   31   1HB   ALA   3          1HB       ALA   3  -2.440   2.878   4.957
   32   2HB   ALA   3          3HB       ALA   3  -0.873   2.072   4.873
   33   3HB   ALA   3          2HB       ALA   3  -2.216   1.304   5.719
   34    H    VAL   4           H        VAL   4   1.055   2.199   7.360
   35    HA   VAL   4           HA       VAL   4   2.265   4.666   6.188
   36    HB   VAL   4           HB       VAL   4   3.072   3.251   8.749
   37   1HG1  VAL   4          1HG1      VAL   4   4.545   4.939   6.918
   38   2HG1  VAL   4          3HG1      VAL   4   4.362   5.748   8.475
   39   3HG1  VAL   4          2HG1      VAL   4   5.107   4.151   8.393
   40   1HG2  VAL   4          3HG2      VAL   4   1.134   5.245   8.248
   41   2HG2  VAL   4          2HG2      VAL   4   1.770   4.751   9.817
   42   3HG2  VAL   4          1HG2      VAL   4   2.520   6.085   8.942
   43    H    ILE   5           H        ILE   5   3.744   4.192   4.663
   44    HA   ILE   5           HA       ILE   5   4.711   1.402   4.432
   45    HB   ILE   5           HB       ILE   5   5.203   3.661   2.478
   46   1HG1  ILE   5          2HG1      ILE   5   2.695   3.168   3.230
   47   2HG1  ILE   5          1HG1      ILE   5   3.084   3.415   1.543
   48   1HG2  ILE   5          2HG2      ILE   5   5.631   0.761   2.577
   49   2HG2  ILE   5          1HG2      ILE   5   4.806   1.290   1.112
   50   3HG2  ILE   5          3HG2      ILE   5   6.372   1.977   1.537
   51   1HD1  ILE   5          1HD1      ILE   5   3.300   0.926   1.290
   52   2HD1  ILE   5          3HD1      ILE   5   2.716   0.765   2.947
   53   3HD1  ILE   5          2HD1      ILE   5   1.675   1.466   1.706
   54    H    ASN   6           H        ASN   6   6.613   0.970   5.383
   55    HA   ASN   6           HA       ASN   6   8.611   3.176   5.580
   56   1HB   ASN   6          2HB       ASN   6   8.864   0.711   7.250
   57   2HB   ASN   6          1HB       ASN   6   9.281   2.378   7.645
   58   1HD2  ASN   6          2HD2      ASN   6   6.363   2.573   9.575
   59   2HD2  ASN   6          1HD2      ASN   6   8.043   2.787   9.474
   60    H    GLY   7           H        GLY   7   9.800   2.831   3.702
   61   1HA   GLY   7          2HA       GLY   7  10.405   0.225   2.662
   62   2HA   GLY   7          1HA       GLY   7  11.212   1.726   2.189
   63    H    GLU   8           H        GLU   8  11.559   1.872   5.366
   64    HA   GLU   8           HA       GLU   8  14.303   1.020   5.312
   65   1HB   GLU   8          2HB       GLU   8  13.450   2.851   6.784
   66   2HB   GLU   8          1HB       GLU   8  12.581   1.639   7.726
   67   1HG   GLU   8          2HG       GLU   8  14.505   0.783   8.663
   68   2HG   GLU   8          1HG       GLU   8  15.493   1.183   7.257
   69    H    GLN   9           H        GLN   9  11.357  -0.568   5.857
   70    HA   GLN   9           HA       GLN   9  12.780  -2.919   7.025
   71   1HB   GLN   9          2HB       GLN   9  10.956  -1.817   8.441
   72   2HB   GLN   9          1HB       GLN   9   9.813  -2.368   7.217
   73   1HG   GLN   9          2HG       GLN   9   9.725  -4.217   8.574
   74   2HG   GLN   9          1HG       GLN   9  11.146  -4.677   7.636
   75   1HE2  GLN   9          2HE2      GLN   9  12.184  -5.008  11.164
   76   2HE2  GLN   9          1HE2      GLN   9  11.142  -5.809  10.090
   77    H    ILE  10           H        ILE  10  10.879  -1.685   4.451
   78    HA   ILE  10           HA       ILE  10   9.952  -4.238   3.445
   79    HB   ILE  10           HB       ILE  10  10.360  -1.635   1.940
   80   1HG1  ILE  10          2HG1      ILE  10   8.811  -1.135   3.665
   81   2HG1  ILE  10          1HG1      ILE  10   7.795  -1.555   2.290
   82   1HG2  ILE  10          3HG2      ILE  10   8.857  -4.197   1.358
   83   2HG2  ILE  10          2HG2      ILE  10   8.531  -2.689   0.499
   84   3HG2  ILE  10          1HG2      ILE  10  10.122  -3.443   0.388
   85   1HD1  ILE  10          2HD1      ILE  10   8.071  -4.002   3.336
   86   2HD1  ILE  10          1HD1      ILE  10   8.291  -3.066   4.812
   87   3HD1  ILE  10          3HD1      ILE  10   6.806  -2.899   3.876
   88    H    ARG  11           H        ARG  11  11.410  -5.741   2.880
   89    HA   ARG  11           HA       ARG  11  14.104  -5.096   1.999
   90   1HB   ARG  11          2HB       ARG  11  13.026  -7.790   1.371
   91   2HB   ARG  11          1HB       ARG  11  14.520  -7.339   2.200
   92   1HG   ARG  11          2HG       ARG  11  13.009  -6.614   4.154
   93   2HG   ARG  11          1HG       ARG  11  11.733  -7.516   3.327
   94   1HD   ARG  11          2HD       ARG  11  12.546  -9.286   4.521
   95   2HD   ARG  11          1HD       ARG  11  13.773  -9.332   3.254
   96    HE   ARG  11           HE       ARG  11  14.837  -7.555   5.061
   97   1HH1  ARG  11          1HH1      ARG  11  14.086 -10.620   7.326
   98   2HH1  ARG  11          2HH1      ARG  11  12.861  -9.696   6.523
   99   1HH2  ARG  11          1HH2      ARG  11  16.702  -9.182   5.563
  100   2HH2  ARG  11          2HH2      ARG  11  16.260 -10.329   6.783
  101    H    SER  12           H        SER  12  11.168  -6.346   0.418
  102    HA   SER  12           HA       SER  12  11.672  -4.935  -2.026
  103   1HB   SER  12          2HB       SER  12  12.959  -7.584  -1.745
  104   2HB   SER  12          1HB       SER  12  12.071  -7.332  -3.245
  105    HG   SER  12           HG       SER  12  14.463  -6.462  -2.652
  106    H    ILE  13           H        ILE  13   9.338  -4.953  -0.948
  107    HA   ILE  13           HA       ILE  13   7.104  -5.294  -1.581
  108    HB   ILE  13           HB       ILE  13   8.366  -6.211  -3.803
  109   1HG1  ILE  13          2HG1      ILE  13   6.162  -6.356  -4.807
  110   2HG1  ILE  13          1HG1      ILE  13   5.421  -6.639  -3.233
  111   1HG2  ILE  13          1HG2      ILE  13   8.247  -8.566  -2.552
  112   2HG2  ILE  13          3HG2      ILE  13   6.605  -8.551  -3.187
  113   3HG2  ILE  13          2HG2      ILE  13   7.979  -8.442  -4.287
  114   1HD1  ILE  13          2HD1      ILE  13   7.054  -4.155  -3.689
  115   2HD1  ILE  13          1HD1      ILE  13   5.381  -4.224  -4.245
  116   3HD1  ILE  13          3HD1      ILE  13   5.750  -4.432  -2.533
  117    H    SER  14           H        SER  14   9.081  -8.146  -0.822
  118    HA   SER  14           HA       SER  14   7.001  -9.830   0.098
  119   1HB   SER  14          2HB       SER  14   9.851  -9.792   0.216
  120   2HB   SER  14          1HB       SER  14   9.260 -10.071   1.852
  121    HG   SER  14           HG       SER  14   8.055 -11.444  -0.266
  122    H    ASP  15           H        ASP  15   8.901  -7.378   1.852
  123    HA   ASP  15           HA       ASP  15   7.284  -7.666   4.266
  124   1HB   ASP  15          2HB       ASP  15   9.751  -6.344   3.455
  125   2HB   ASP  15          1HB       ASP  15   8.752  -5.314   4.479
  126    H    LEU  16           H        LEU  16   7.239  -5.723   1.425
  127    HA   LEU  16           HA       LEU  16   5.834  -3.429   2.384
  128   1HB   LEU  16          2HB       LEU  16   6.933  -3.627   0.150
  129   2HB   LEU  16          1HB       LEU  16   5.658  -4.732  -0.345
  130    HG   LEU  16           HG       LEU  16   4.212  -3.035  -0.754
  131   1HD1  LEU  16          2HD1      LEU  16   5.205  -1.782   1.822
  132   2HD1  LEU  16          1HD1      LEU  16   4.018  -1.008   0.772
  133   3HD1  LEU  16          3HD1      LEU  16   3.647  -2.555   1.532
  134   1HD2  LEU  16          2HD2      LEU  16   6.468  -2.247  -1.634
  135   2HD2  LEU  16          1HD2      LEU  16   5.246  -0.993  -1.411
  136   3HD2  LEU  16          3HD2      LEU  16   6.535  -1.190  -0.223
  137    H    HIS  17           H        HIS  17   4.589  -6.257   0.630
  138    HA   HIS  17           HA       HIS  17   1.849  -5.689   0.971
  139   1HB   HIS  17          2HB       HIS  17   3.351  -8.277   0.603
  140   2HB   HIS  17          1HB       HIS  17   1.586  -8.222   0.684
  141    HD1  HIS  17           HD1      HIS  17   0.391  -6.647  -1.142
  142    HD2  HIS  17           HD2      HIS  17   4.415  -7.470  -1.856
  143    HE1  HIS  17           HE1      HIS  17   0.841  -5.991  -3.545
  144    H    GLN  18           H        GLN  18   4.141  -6.837   3.250
  145    HA   GLN  18           HA       GLN  18   2.124  -7.907   5.092
  146   1HB   GLN  18          2HB       GLN  18   4.818  -7.181   6.117
  147   2HB   GLN  18          1HB       GLN  18   3.878  -8.649   6.379
  148   1HG   GLN  18          2HG       GLN  18   4.349  -9.275   3.978
  149   2HG   GLN  18          1HG       GLN  18   5.460  -7.907   3.912
  150   1HE2  GLN  18          2HE2      GLN  18   7.476  -9.552   6.635
  151   2HE2  GLN  18          1HE2      GLN  18   6.578  -8.113   6.549
  152    H    THR  19           H        THR  19   3.937  -4.994   4.591
  153    HA   THR  19           HA       THR  19   3.192  -3.693   7.046
  154    HB   THR  19           HB       THR  19   4.299  -2.745   4.411
  155    HG1  THR  19           HG1      THR  19   5.181  -2.957   7.080
  156   1HG2  THR  19          1HG2      THR  19   2.945  -1.149   6.496
  157   2HG2  THR  19          3HG2      THR  19   4.532  -0.551   6.008
  158   3HG2  THR  19          2HG2      THR  19   3.261  -0.761   4.803
  159    H    LEU  20           H        LEU  20   1.799  -3.852   3.853
  160    HA   LEU  20           HA       LEU  20  -0.330  -1.942   4.505
  161   1HB   LEU  20          2HB       LEU  20  -0.583  -3.890   2.246
  162   2HB   LEU  20          1HB       LEU  20  -1.060  -2.191   2.313
  163    HG   LEU  20           HG       LEU  20   1.767  -3.236   2.195
  164   1HD1  LEU  20          3HD1      LEU  20  -0.140  -2.732   0.167
  165   2HD1  LEU  20          2HD1      LEU  20   1.045  -1.426   0.100
  166   3HD1  LEU  20          1HD1      LEU  20   1.572  -3.102  -0.034
  167   1HD2  LEU  20          2HD2      LEU  20   1.093  -1.020   3.500
  168   2HD2  LEU  20          1HD2      LEU  20   2.526  -1.062   2.473
  169   3HD2  LEU  20          3HD2      LEU  20   1.027  -0.359   1.866
  170    H    LYS  21           H        LYS  21   0.144  -5.408   4.258
  171    HA   LYS  21           HA       LYS  21  -2.567  -6.173   4.846
  172   1HB   LYS  21          2HB       LYS  21  -1.040  -7.816   3.928
  173   2HB   LYS  21          1HB       LYS  21   0.081  -7.591   5.273
  174   1HG   LYS  21          2HG       LYS  21  -1.105  -8.963   6.632
  175   2HG   LYS  21          1HG       LYS  21  -2.644  -8.258   6.134
  176   1HD   LYS  21          2HD       LYS  21  -2.960  -9.784   4.452
  177   2HD   LYS  21          1HD       LYS  21  -1.234  -9.919   4.111
  178   1HE   LYS  21          2HE       LYS  21  -2.440 -11.945   5.228
  179   2HE   LYS  21          1HE       LYS  21  -0.877 -11.440   5.866
  180   1HZ   LYS  21          1HZ       LYS  21  -3.298 -10.209   6.966
  181   2HZ   LYS  21          3HZ       LYS  21  -2.921 -11.794   7.436
  182   3HZ   LYS  21          2HZ       LYS  21  -1.812 -10.540   7.721
  183    H    LYS  22           H        LYS  22   0.063  -4.940   6.722
  184    HA   LYS  22           HA       LYS  22  -1.043  -5.852   9.290
  185   1HB   LYS  22          2HB       LYS  22   1.286  -5.732   9.393
  186   2HB   LYS  22          1HB       LYS  22   1.356  -4.271   8.410
  187   1HG   LYS  22          2HG       LYS  22   0.542  -2.918  10.233
  188   2HG   LYS  22          1HG       LYS  22   0.201  -4.347  11.210
  189   1HD   LYS  22          2HD       LYS  22   2.987  -4.066  10.212
  190   2HD   LYS  22          1HD       LYS  22   2.483  -2.928  11.461
  191   1HE   LYS  22          2HE       LYS  22   2.757  -4.533  13.010
  192   2HE   LYS  22          1HE       LYS  22   1.506  -5.491  12.217
  193   1HZ   LYS  22          1HZ       LYS  22   4.374  -5.464  11.447
  194   2HZ   LYS  22          3HZ       LYS  22   3.629  -6.671  12.377
  195   3HZ   LYS  22          2HZ       LYS  22   3.157  -6.432  10.763
  196    H    GLU  23           H        GLU  23  -0.760  -2.774   7.483
  197    HA   GLU  23           HA       GLU  23  -2.134  -1.268   9.558
  198   1HB   GLU  23          2HB       GLU  23  -1.911  -0.419   6.679
  199   2HB   GLU  23          1HB       GLU  23  -1.970   0.598   8.117
  200   1HG   GLU  23          2HG       GLU  23   0.261   0.378   8.519
  201   2HG   GLU  23          1HG       GLU  23   0.283  -1.319   8.040
  202    H    LEU  24           H        LEU  24  -3.030  -2.095   6.263
  203    HA   LEU  24           HA       LEU  24  -5.790  -1.434   6.531
  204   1HB   LEU  24          2HB       LEU  24  -4.613  -3.475   4.627
  205   2HB   LEU  24          1HB       LEU  24  -6.056  -2.489   4.392
  206    HG   LEU  24           HG       LEU  24  -3.396  -1.163   4.854
  207   1HD1  LEU  24          1HD1      LEU  24  -3.419  -2.939   2.924
  208   2HD1  LEU  24          3HD1      LEU  24  -4.368  -1.717   2.076
  209   3HD1  LEU  24          2HD1      LEU  24  -2.739  -1.338   2.638
  210   1HD2  LEU  24          2HD2      LEU  24  -6.095  -0.379   4.238
  211   2HD2  LEU  24          1HD2      LEU  24  -4.703   0.634   4.610
  212   3HD2  LEU  24          3HD2      LEU  24  -5.016   0.145   2.946
  213    H    ALA  25           H        ALA  25  -3.927  -4.219   7.443
  214    HA   ALA  25           HA       ALA  25  -4.572  -6.105   8.689
  215   1HB   ALA  25          1HB       ALA  25  -6.411  -4.117   9.356
  216   2HB   ALA  25          3HB       ALA  25  -7.415  -5.494   8.902
  217   3HB   ALA  25          2HB       ALA  25  -6.210  -5.663  10.180
  218    H    LEU  26           H        LEU  26  -4.420  -6.467   6.017
  219    HA   LEU  26           HA       LEU  26  -6.870  -7.430   4.814
  220   1HB   LEU  26          2HB       LEU  26  -4.024  -8.148   4.038
  221   2HB   LEU  26          1HB       LEU  26  -5.453  -8.155   3.003
  222    HG   LEU  26           HG       LEU  26  -4.360  -5.677   4.353
  223   1HD1  LEU  26          1HD1      LEU  26  -3.048  -6.877   2.388
  224   2HD1  LEU  26          3HD1      LEU  26  -4.297  -6.125   1.396
  225   3HD1  LEU  26          2HD1      LEU  26  -3.248  -5.125   2.403
  226   1HD2  LEU  26          1HD2      LEU  26  -6.889  -6.285   3.240
  227   2HD2  LEU  26          3HD2      LEU  26  -6.277  -4.692   3.690
  228   3HD2  LEU  26          2HD2      LEU  26  -6.060  -5.287   2.045
  229    HA   PRO  27           HA       PRO  27  -7.019 -11.516   6.363
  230   1HB   PRO  27          2HB       PRO  27  -7.736 -12.973   4.146
  231   2HB   PRO  27          1HB       PRO  27  -8.842 -11.885   5.008
  232   1HG   PRO  27          2HG       PRO  27  -7.474 -11.484   2.391
  233   2HG   PRO  27          1HG       PRO  27  -8.996 -10.792   2.976
  234   1HD   PRO  27          2HD       PRO  27  -6.494  -9.490   2.869
  235   2HD   PRO  27          1HD       PRO  27  -7.930  -8.911   3.738
  236    H    GLU  28           H        GLU  28  -6.407 -13.964   5.471
  237    HA   GLU  28           HA       GLU  28  -3.489 -13.930   5.335
  238   1HB   GLU  28          2HB       GLU  28  -4.650 -15.600   6.709
  239   2HB   GLU  28          1HB       GLU  28  -5.470 -16.227   5.276
  240   1HG   GLU  28          2HG       GLU  28  -3.696 -17.694   5.331
  241   2HG   GLU  28          1HG       GLU  28  -2.951 -16.402   4.390
  242    H    TYR  29           H        TYR  29  -6.143 -14.947   3.177
  243    HA   TYR  29           HA       TYR  29  -4.355 -15.886   1.108
  244   1HB   TYR  29          2HB       TYR  29  -6.436 -15.800  -0.324
  245   2HB   TYR  29          1HB       TYR  29  -6.581 -16.772   1.144
  246    HD1  TYR  29           HD1      TYR  29  -7.016 -13.183   0.073
  247    HD2  TYR  29           HD2      TYR  29  -8.476 -16.468   2.435
  248    HE1  TYR  29           HE1      TYR  29  -8.960 -11.816   0.787
  249    HE2  TYR  29           HE2      TYR  29 -10.411 -15.093   3.154
  250    HH   TYR  29           HH       TYR  29 -11.414 -13.126   3.023
  251    H    TYR  30           H        TYR  30  -4.853 -12.803   2.184
  252    HA   TYR  30           HA       TYR  30  -5.334 -11.034   0.181
  253   1HB   TYR  30          2HB       TYR  30  -4.466 -10.281   2.313
  254   2HB   TYR  30          1HB       TYR  30  -2.911 -11.048   2.000
  255    HD1  TYR  30           HD2      TYR  30  -4.942  -9.202  -0.512
  256    HD2  TYR  30           HD1      TYR  30  -1.508  -9.124   2.071
  257    HE1  TYR  30           HE2      TYR  30  -4.151  -7.119  -1.617
  258    HE2  TYR  30           HE1      TYR  30  -0.718  -7.058   0.964
  259    HH   TYR  30           HH       TYR  30  -1.466  -5.280  -0.362
  260    H    GLY  31           H        GLY  31  -4.872 -11.210  -1.939
  261   1HA   GLY  31          2HA       GLY  31  -2.954 -12.805  -3.176
  262   2HA   GLY  31          1HA       GLY  31  -3.586 -11.328  -3.907
  263    H    GLU  32           H        GLU  32  -2.428  -9.826  -1.477
  264    HA   GLU  32           HA       GLU  32  -0.451  -8.644  -1.038
  265   1HB   GLU  32          2HB       GLU  32   0.936 -11.100  -2.155
  266   2HB   GLU  32          1HB       GLU  32   1.616  -9.900  -1.052
  267   1HG   GLU  32          2HG       GLU  32  -0.786 -10.827   0.137
  268   2HG   GLU  32          1HG       GLU  32   0.089 -12.256  -0.416
  269    H    ASN  33           H        ASN  33  -1.736  -8.041  -3.405
  270    HA   ASN  33           HA       ASN  33   0.513  -7.070  -5.027
  271   1HB   ASN  33          2HB       ASN  33  -0.862  -7.945  -7.118
  272   2HB   ASN  33          1HB       ASN  33   0.306  -8.995  -6.316
  273   1HD2  ASN  33          2HD2      ASN  33  -2.484 -11.253  -6.298
  274   2HD2  ASN  33          1HD2      ASN  33  -1.092 -10.821  -7.168
  275    H    LEU  34           H        LEU  34  -0.883  -6.067  -7.175
  276    HA   LEU  34           HA       LEU  34  -2.432  -3.949  -5.892
  277   1HB   LEU  34          2HB       LEU  34  -2.794  -3.291  -8.398
  278   2HB   LEU  34          1HB       LEU  34  -1.185  -3.128  -7.696
  279    HG   LEU  34           HG       LEU  34  -1.774  -5.787  -8.840
  280   1HD1  LEU  34          1HD1      LEU  34  -2.498  -3.492 -10.335
  281   2HD1  LEU  34          3HD1      LEU  34  -0.961  -4.052 -10.996
  282   3HD1  LEU  34          2HD1      LEU  34  -2.342  -5.148 -10.924
  283   1HD2  LEU  34          3HD2      LEU  34   0.436  -4.547  -7.938
  284   2HD2  LEU  34          2HD2      LEU  34   0.503  -5.777  -9.202
  285   3HD2  LEU  34          1HD2      LEU  34   0.531  -4.066  -9.633
  286    H    ASP  35           H        ASP  35  -3.159  -7.011  -7.242
  287    HA   ASP  35           HA       ASP  35  -5.876  -6.348  -8.055
  288   1HB   ASP  35          2HB       ASP  35  -6.035  -8.931  -7.982
  289   2HB   ASP  35          1HB       ASP  35  -5.045  -8.191  -9.232
  290    H    ALA  36           H        ALA  36  -4.440  -8.256  -5.375
  291    HA   ALA  36           HA       ALA  36  -6.999  -8.502  -4.036
  292   1HB   ALA  36          3HB       ALA  36  -4.963 -10.055  -3.776
  293   2HB   ALA  36          2HB       ALA  36  -4.301  -8.812  -2.716
  294   3HB   ALA  36          1HB       ALA  36  -5.815  -9.617  -2.295
  295    H    LEU  37           H        LEU  37  -4.373  -6.252  -4.007
  296    HA   LEU  37           HA       LEU  37  -5.121  -4.885  -1.564
  297   1HB   LEU  37          2HB       LEU  37  -2.864  -4.678  -2.580
  298   2HB   LEU  37          1HB       LEU  37  -3.585  -3.836  -3.954
  299    HG   LEU  37           HG       LEU  37  -4.597  -2.544  -1.682
  300   1HD1  LEU  37          1HD1      LEU  37  -1.660  -3.216  -1.433
  301   2HD1  LEU  37          3HD1      LEU  37  -2.387  -1.826  -0.626
  302   3HD1  LEU  37          2HD1      LEU  37  -2.932  -3.457  -0.235
  303   1HD2  LEU  37          1HD2      LEU  37  -2.649  -1.946  -3.869
  304   2HD2  LEU  37          3HD2      LEU  37  -4.193  -1.182  -3.497
  305   3HD2  LEU  37          2HD2      LEU  37  -2.769  -0.800  -2.532
  306    H    TRP  38           H        TRP  38  -5.530  -4.052  -5.015
  307    HA   TRP  38           HA       TRP  38  -7.274  -1.835  -4.613
  308   1HB   TRP  38          2HB       TRP  38  -6.244  -2.362  -6.787
  309   2HB   TRP  38          1HB       TRP  38  -7.114  -3.887  -6.834
  310    HD1  TRP  38           HD1      TRP  38  -8.970  -3.803  -8.451
  311    HE1  TRP  38           HE1      TRP  38 -10.725  -2.087  -9.234
  312    HE3  TRP  38           HE3      TRP  38  -7.615   0.230  -5.606
  313    HZ2  TRP  38           HZ2      TRP  38 -11.446   0.625  -8.741
  314    HZ3  TRP  38           HZ3      TRP  38  -8.841   2.367  -5.811
  315    HH2  TRP  38           HH2      TRP  38 -10.759   2.569  -7.364
  316    H    ASP  39           H        ASP  39  -7.789  -5.270  -4.828
  317    HA   ASP  39           HA       ASP  39 -10.653  -5.229  -4.745
  318   1HB   ASP  39          2HB       ASP  39  -8.521  -7.227  -4.413
  319   2HB   ASP  39          1HB       ASP  39  -9.959  -7.557  -3.442
  320    H    ALA  40           H        ALA  40  -8.158  -4.997  -2.324
  321    HA   ALA  40           HA       ALA  40 -10.037  -5.234  -0.076
  322   1HB   ALA  40          1HB       ALA  40  -7.569  -5.883   0.024
  323   2HB   ALA  40          3HB       ALA  40  -7.210  -4.155   0.027
  324   3HB   ALA  40          2HB       ALA  40  -8.147  -4.865   1.344
  325    H    LEU  41           H        LEU  41  -7.767  -2.597  -0.871
  326    HA   LEU  41           HA       LEU  41  -8.835  -0.501   0.472
  327   1HB   LEU  41          2HB       LEU  41  -7.710  -0.608  -2.303
  328   2HB   LEU  41          1HB       LEU  41  -8.340   0.915  -1.675
  329    HG   LEU  41           HG       LEU  41  -6.465  -0.643   0.052
  330   1HD1  LEU  41          1HD1      LEU  41  -5.606   1.095  -2.289
  331   2HD1  LEU  41          3HD1      LEU  41  -4.527   0.427  -1.057
  332   3HD1  LEU  41          2HD1      LEU  41  -5.374  -0.653  -2.170
  333   1HD2  LEU  41          2HD2      LEU  41  -7.729   1.727   0.338
  334   2HD2  LEU  41          1HD2      LEU  41  -6.194   1.341   1.114
  335   3HD2  LEU  41          3HD2      LEU  41  -6.217   2.266  -0.386
  336    H    THR  42           H        THR  42 -10.052  -1.759  -2.546
  337    HA   THR  42           HA       THR  42 -12.326   0.084  -2.590
  338    HB   THR  42           HB       THR  42 -12.993  -1.068  -4.592
  339    HG1  THR  42           HG1      THR  42 -12.419  -3.085  -5.005
  340   1HG2  THR  42          1HG2      THR  42 -10.007  -0.795  -4.255
  341   2HG2  THR  42          3HG2      THR  42 -10.730  -1.231  -5.804
  342   3HG2  THR  42          2HG2      THR  42 -11.125   0.314  -5.051
  343    H    GLY  43           H        GLY  43 -12.257  -1.396  -0.118
  344   1HA   GLY  43          2HA       GLY  43 -14.657  -2.000   0.680
  345   2HA   GLY  43          1HA       GLY  43 -14.481  -3.338  -0.457
  346    H    TRP  44           H        TRP  44 -12.124  -1.950   1.906
  347    HA   TRP  44           HA       TRP  44 -12.369  -4.151   3.745
  348   1HB   TRP  44          2HB       TRP  44 -11.390  -5.480   1.938
  349   2HB   TRP  44          1HB       TRP  44 -10.079  -4.314   1.762
  350    HD1  TRP  44           HD1      TRP  44  -8.696  -3.883   4.229
  351    HE1  TRP  44           HE1      TRP  44  -7.857  -5.696   5.856
  352    HE3  TRP  44           HE3      TRP  44 -11.622  -7.794   2.771
  353    HZ2  TRP  44           HZ2      TRP  44  -8.364  -8.450   6.460
  354    HZ3  TRP  44           HZ3      TRP  44 -11.430 -10.000   3.884
  355    HH2  TRP  44           HH2      TRP  44  -9.803 -10.332   5.725
  356    H    VAL  45           H        VAL  45 -10.337  -1.704   2.293
  357    HA   VAL  45           HA       VAL  45  -8.587  -1.371   4.552
  358    HB   VAL  45           HB       VAL  45  -9.213   0.152   2.055
  359   1HG1  VAL  45          1HG1      VAL  45  -7.547   1.064   4.379
  360   2HG1  VAL  45          3HG1      VAL  45  -7.277   1.651   2.738
  361   3HG1  VAL  45          2HG1      VAL  45  -8.829   1.931   3.530
  362   1HG2  VAL  45          3HG2      VAL  45  -7.007  -1.548   3.129
  363   2HG2  VAL  45          2HG2      VAL  45  -7.710  -1.526   1.516
  364   3HG2  VAL  45          1HG2      VAL  45  -6.576  -0.266   2.000
  365    H    GLU  46           H        GLU  46 -11.615   0.058   3.581
  366    HA   GLU  46           HA       GLU  46 -13.118   1.381   4.824
  367   1HB   GLU  46          2HB       GLU  46 -11.906  -0.062   6.732
  368   2HB   GLU  46          1HB       GLU  46 -11.272   1.528   7.158
  369   1HG   GLU  46          2HG       GLU  46 -13.391   2.401   7.615
  370   2HG   GLU  46          1HG       GLU  46 -14.209   1.202   6.611
  371    H    TYR  47           H        TYR  47 -13.303   3.649   5.260
  372    HA   TYR  47           HA       TYR  47 -10.796   5.248   5.099
  373   1HB   TYR  47          2HB       TYR  47 -13.235   5.648   3.332
  374   2HB   TYR  47          1HB       TYR  47 -11.777   6.639   3.311
  375    HD1  TYR  47           HD2      TYR  47  -9.545   4.834   3.421
  376    HD2  TYR  47           HD1      TYR  47 -13.331   4.310   1.437
  377    HE1  TYR  47           HE2      TYR  47  -8.499   3.213   1.844
  378    HE2  TYR  47           HE1      TYR  47 -12.276   2.710  -0.134
  379    HH   TYR  47           HH       TYR  47  -9.476   1.220   0.387
  380    HA   PRO  48           HA       PRO  48 -10.990   7.751   4.394
  381   1HB   PRO  48          2HB       PRO  48  -9.808   9.620   6.022
  382   2HB   PRO  48          1HB       PRO  48 -11.284   9.910   5.082
  383   1HG   PRO  48          2HG       PRO  48 -10.988   9.389   8.013
  384   2HG   PRO  48          1HG       PRO  48 -12.212  10.346   7.160
  385   1HD   PRO  48          2HD       PRO  48 -12.616   7.760   8.150
  386   2HD   PRO  48          1HD       PRO  48 -13.606   8.534   6.891
  387    H    LEU  49           H        LEU  49  -8.886   7.151   4.035
  388    HA   LEU  49           HA       LEU  49  -7.452   5.859   6.318
  389   1HB   LEU  49          2HB       LEU  49  -7.917   4.127   4.805
  390   2HB   LEU  49          1HB       LEU  49  -7.715   5.174   3.402
  391    HG   LEU  49           HG       LEU  49  -5.237   5.321   4.047
  392   1HD1  LEU  49          1HD1      LEU  49  -6.238   3.833   6.265
  393   2HD1  LEU  49          3HD1      LEU  49  -5.187   2.759   5.342
  394   3HD1  LEU  49          2HD1      LEU  49  -4.569   4.296   5.942
  395   1HD2  LEU  49          3HD2      LEU  49  -6.730   3.382   2.624
  396   2HD2  LEU  49          2HD2      LEU  49  -5.047   3.849   2.376
  397   3HD2  LEU  49          1HD2      LEU  49  -5.445   2.526   3.475
  398    H    VAL  50           H        VAL  50  -5.073   6.053   6.222
  399    HA   VAL  50           HA       VAL  50  -4.176   8.447   4.669
  400    HB   VAL  50           HB       VAL  50  -4.019   7.861   7.567
  401   1HG1  VAL  50          2HG1      VAL  50  -1.581   8.540   5.969
  402   2HG1  VAL  50          1HG1      VAL  50  -1.822   9.381   7.501
  403   3HG1  VAL  50          3HG1      VAL  50  -1.719   7.620   7.467
  404   1HG2  VAL  50          2HG2      VAL  50  -5.098   9.827   6.196
  405   2HG2  VAL  50          1HG2      VAL  50  -4.309  10.167   7.737
  406   3HG2  VAL  50          3HG2      VAL  50  -3.461  10.483   6.223
  407    H    LEU  51           H        LEU  51  -3.045   7.393   3.036
  408    HA   LEU  51           HA       LEU  51  -1.329   5.085   3.674
  409   1HB   LEU  51          2HB       LEU  51  -2.606   5.310   1.499
  410   2HB   LEU  51          1HB       LEU  51  -1.513   6.635   1.082
  411    HG   LEU  51           HG       LEU  51   0.397   4.954   1.534
  412   1HD1  LEU  51          3HD1      LEU  51  -2.020   3.203   1.545
  413   2HD1  LEU  51          2HD1      LEU  51  -0.501   2.588   0.877
  414   3HD1  LEU  51          1HD1      LEU  51  -0.578   3.119   2.564
  415   1HD2  LEU  51          3HD2      LEU  51  -1.510   4.609  -0.777
  416   2HD2  LEU  51          2HD2      LEU  51  -0.118   5.696  -0.704
  417   3HD2  LEU  51          1HD2      LEU  51   0.123   3.950  -0.734
  418    H    GLU  52           H        GLU  52  -0.154   6.694   5.259
  419    HA   GLU  52           HA       GLU  52   1.584   8.689   4.127
  420   1HB   GLU  52          2HB       GLU  52   1.180   8.841   6.470
  421   2HB   GLU  52          1HB       GLU  52   1.619   7.151   6.731
  422   1HG   GLU  52          2HG       GLU  52   3.867   7.591   6.700
  423   2HG   GLU  52          1HG       GLU  52   3.705   8.870   5.495
  424    H    TRP  53           H        TRP  53   2.506   7.544   2.276
  425    HA   TRP  53           HA       TRP  53   4.069   5.139   2.690
  426   1HB   TRP  53          2HB       TRP  53   2.936   6.042   0.507
  427   2HB   TRP  53          1HB       TRP  53   4.444   6.946   0.318
  428    HD1  TRP  53           HD1      TRP  53   6.723   5.212   0.814
  429    HE1  TRP  53           HE1      TRP  53   7.104   2.891  -0.242
  430    HE3  TRP  53           HE3      TRP  53   1.953   4.100  -0.591
  431    HZ2  TRP  53           HZ2      TRP  53   5.570   0.838  -1.505
  432    HZ3  TRP  53           HZ3      TRP  53   1.429   1.967  -1.724
  433    HH2  TRP  53           HH2      TRP  53   3.239   0.321  -2.179
  434    H    ARG  54           H        ARG  54   5.650   5.653   4.302
  435    HA   ARG  54           HA       ARG  54   7.241   7.956   4.460
  436   1HB   ARG  54          2HB       ARG  54   8.379   5.192   4.911
  437   2HB   ARG  54          1HB       ARG  54   8.775   6.687   5.759
  438   1HG   ARG  54          2HG       ARG  54   5.973   6.290   6.032
  439   2HG   ARG  54          1HG       ARG  54   6.755   4.755   6.409
  440   1HD   ARG  54          2HD       ARG  54   7.566   7.423   7.600
  441   2HD   ARG  54          1HD       ARG  54   6.529   6.246   8.406
  442    HE   ARG  54           HE       ARG  54   8.477   4.677   8.363
  443   1HH1  ARG  54          2HH1      ARG  54   8.815   7.959   8.962
  444   2HH1  ARG  54          1HH1      ARG  54  10.545   7.980   8.869
  445   1HH2  ARG  54          1HH2      ARG  54  10.785   4.718   7.715
  446   2HH2  ARG  54          2HH2      ARG  54  11.660   6.144   8.164
  447    H    GLN  55           H        GLN  55   8.605   8.854   2.979
  448    HA   GLN  55           HA       GLN  55   9.902   9.024   1.018
  449   1HB   GLN  55          2HB       GLN  55  10.874   6.282   1.882
  450   2HB   GLN  55          1HB       GLN  55  11.740   7.447   0.880
  451   1HG   GLN  55          2HG       GLN  55  12.541   8.502   2.699
  452   2HG   GLN  55          1HG       GLN  55  10.918   8.682   3.365
  453   1HE2  GLN  55          2HE2      GLN  55  13.164   6.362   5.458
  454   2HE2  GLN  55          1HE2      GLN  55  13.528   7.843   4.714
  455    H    PHE  56           H        PHE  56  10.732   6.473  -0.448
  456    HA   PHE  56           HA       PHE  56   8.443   4.994  -1.233
  457   1HB   PHE  56          2HB       PHE  56   7.618   7.230  -1.977
  458   2HB   PHE  56          1HB       PHE  56   9.012   7.363  -3.046
  459    HD1  PHE  56           HD1      PHE  56   6.032   5.247  -2.288
  460    HD2  PHE  56           HD2      PHE  56   9.010   6.344  -5.181
  461    HE1  PHE  56           HE1      PHE  56   4.828   3.952  -4.017
  462    HE2  PHE  56           HE2      PHE  56   7.809   5.047  -6.910
  463    HZ   PHE  56           HZ       PHE  56   5.714   3.850  -6.331
  464    H    GLU  57           H        GLU  57  10.770   6.717  -3.332
  465    HA   GLU  57           HA       GLU  57  11.543   4.565  -4.920
  466   1HB   GLU  57          2HB       GLU  57  12.284   6.894  -5.298
  467   2HB   GLU  57          1HB       GLU  57  13.347   6.778  -3.895
  468   1HG   GLU  57          2HG       GLU  57  14.702   5.107  -4.940
  469   2HG   GLU  57          1HG       GLU  57  13.525   4.867  -6.233
  470    H    GLN  58           H        GLN  58  12.511   5.277  -1.627
  471    HA   GLN  58           HA       GLN  58  14.826   3.783  -1.294
  472   1HB   GLN  58          2HB       GLN  58  13.618   3.096   0.991
  473   2HB   GLN  58          1HB       GLN  58  14.180   4.742   0.700
  474   1HG   GLN  58          2HG       GLN  58  12.064   5.572   0.482
  475   2HG   GLN  58          1HG       GLN  58  11.458   4.111  -0.300
  476   1HE2  GLN  58          2HE2      GLN  58  11.899   3.439   3.690
  477   2HE2  GLN  58          1HE2      GLN  58  13.238   3.827   2.721
  478    H    SER  59           H        SER  59  11.817   2.246  -0.189
  479    HA   SER  59           HA       SER  59  12.900  -0.372  -0.874
  480   1HB   SER  59          2HB       SER  59  11.610  -0.511   1.047
  481   2HB   SER  59          1HB       SER  59  10.421   0.652   0.457
  482    HG   SER  59           HG       SER  59   9.537  -0.900  -0.814
  483    H    LYS  60           H        LYS  60  11.402   1.952  -2.715
  484    HA   LYS  60           HA       LYS  60   9.696   0.159  -4.289
  485   1HB   LYS  60          2HB       LYS  60   9.110   2.532  -3.959
  486   2HB   LYS  60          1HB       LYS  60  10.574   2.998  -4.830
  487   1HG   LYS  60          2HG       LYS  60   9.154   1.071  -6.406
  488   2HG   LYS  60          1HG       LYS  60   8.029   2.341  -5.929
  489   1HD   LYS  60          2HD       LYS  60   8.928   3.332  -7.810
  490   2HD   LYS  60          1HD       LYS  60  10.084   3.904  -6.607
  491   1HE   LYS  60          2HE       LYS  60  11.640   2.141  -7.162
  492   2HE   LYS  60          1HE       LYS  60  10.455   1.359  -8.208
  493   1HZ   LYS  60          2HZ       LYS  60  10.875   4.100  -8.898
  494   2HZ   LYS  60          1HZ       LYS  60  12.313   3.199  -8.980
  495   3HZ   LYS  60          3HZ       LYS  60  10.959   2.714  -9.877
  496    H    GLN  61           H        GLN  61  13.010   1.261  -4.413
  497    HA   GLN  61           HA       GLN  61  13.333   0.697  -7.257
  498   1HB   GLN  61          2HB       GLN  61  14.733   2.227  -5.516
  499   2HB   GLN  61          1HB       GLN  61  15.732   0.772  -5.535
  500   1HG   GLN  61          2HG       GLN  61  14.796   1.686  -8.190
  501   2HG   GLN  61          1HG       GLN  61  15.935   2.764  -7.383
  502   1HE2  GLN  61          2HE2      GLN  61  18.431   0.023  -7.180
  503   2HE2  GLN  61          1HE2      GLN  61  17.671   1.072  -6.083
  504    H    LEU  62           H        LEU  62  14.917  -0.714  -4.462
  505    HA   LEU  62           HA       LEU  62  16.083  -2.936  -5.521
  506   1HB   LEU  62          2HB       LEU  62  14.906  -4.056  -3.257
  507   2HB   LEU  62          1HB       LEU  62  16.465  -3.233  -3.324
  508    HG   LEU  62           HG       LEU  62  15.402  -1.103  -2.789
  509   1HD1  LEU  62          1HD1      LEU  62  13.021  -2.594  -3.539
  510   2HD1  LEU  62          3HD1      LEU  62  12.816  -1.805  -1.982
  511   3HD1  LEU  62          2HD1      LEU  62  13.237  -0.846  -3.403
  512   1HD2  LEU  62          1HD2      LEU  62  16.006  -2.800  -0.972
  513   2HD2  LEU  62          3HD2      LEU  62  14.862  -1.540  -0.513
  514   3HD2  LEU  62          2HD2      LEU  62  14.283  -3.162  -0.885
  515    H    THR  63           H        THR  63  12.661  -2.440  -5.288
  516    HA   THR  63           HA       THR  63  12.112  -5.247  -6.047
  517    HB   THR  63           HB       THR  63  10.722  -3.944  -4.333
  518    HG1  THR  63           HG1      THR  63   8.728  -4.738  -5.361
  519   1HG2  THR  63          2HG2      THR  63  10.568  -2.141  -6.511
  520   2HG2  THR  63          1HG2      THR  63   8.950  -2.800  -6.276
  521   3HG2  THR  63          3HG2      THR  63   9.780  -2.003  -4.940
  522    H    GLU  64           H        GLU  64   9.653  -4.170  -7.535
  523    HA   GLU  64           HA       GLU  64  10.807  -2.834  -9.870
  524   1HB   GLU  64          2HB       GLU  64  10.090  -4.710 -11.411
  525   2HB   GLU  64          1HB       GLU  64  11.487  -5.091 -10.404
  526   1HG   GLU  64          2HG       GLU  64  10.380  -6.741  -9.328
  527   2HG   GLU  64          1HG       GLU  64   8.961  -5.725  -9.080
  528    H    ASN  65           H        ASN  65   9.074  -1.390  -9.021
  529    HA   ASN  65           HA       ASN  65   6.962  -0.434  -9.494
  530   1HB   ASN  65          2HB       ASN  65   7.208  -2.351 -11.470
  531   2HB   ASN  65          1HB       ASN  65   5.726  -2.831 -10.643
  532   1HD2  ASN  65          2HD2      ASN  65   5.584   0.285 -13.133
  533   2HD2  ASN  65          1HD2      ASN  65   6.851  -0.845 -13.102
  534    H    GLY  66           H        GLY  66   7.683  -3.071  -7.615
  535   1HA   GLY  66          2HA       GLY  66   5.224  -4.099  -6.723
  536   2HA   GLY  66          1HA       GLY  66   6.652  -3.937  -5.695
  537    H    ALA  67           H        ALA  67   7.040  -1.491  -5.054
  538    HA   ALA  67           HA       ALA  67   4.824  -0.671  -3.448
  539   1HB   ALA  67          2HB       ALA  67   7.371   0.707  -4.310
  540   2HB   ALA  67          1HB       ALA  67   6.184   1.511  -3.282
  541   3HB   ALA  67          3HB       ALA  67   6.974   0.034  -2.729
  542    H    GLU  68           H        GLU  68   6.093   0.643  -6.518
  543    HA   GLU  68           HA       GLU  68   4.288   2.767  -6.820
  544   1HB   GLU  68          2HB       GLU  68   6.095   1.261  -8.529
  545   2HB   GLU  68          1HB       GLU  68   4.641   1.750  -9.399
  546   1HG   GLU  68          2HG       GLU  68   5.139   4.054  -8.107
  547   2HG   GLU  68          1HG       GLU  68   6.788   3.432  -8.203
  548    H    SER  69           H        SER  69   3.676  -0.629  -6.951
  549    HA   SER  69           HA       SER  69   1.226  -0.308  -8.546
  550   1HB   SER  69          2HB       SER  69   2.813  -2.565  -7.499
  551   2HB   SER  69          1HB       SER  69   1.072  -2.831  -7.480
  552    HG   SER  69           HG       SER  69   2.465  -1.818  -9.730
  553    H    VAL  70           H        VAL  70   1.883  -1.436  -5.177
  554    HA   VAL  70           HA       VAL  70  -0.791  -1.461  -4.335
  555    HB   VAL  70           HB       VAL  70   1.650  -0.548  -2.772
  556   1HG1  VAL  70          2HG1      VAL  70  -1.060  -0.212  -2.134
  557   2HG1  VAL  70          1HG1      VAL  70  -0.565  -1.638  -1.232
  558   3HG1  VAL  70          3HG1      VAL  70   0.297  -0.116  -1.013
  559   1HG2  VAL  70          1HG2      VAL  70   0.900  -3.095  -3.722
  560   2HG2  VAL  70          3HG2      VAL  70   2.117  -2.747  -2.494
  561   3HG2  VAL  70          2HG2      VAL  70   0.454  -3.089  -2.016
  562    H    LEU  71           H        LEU  71   1.429   1.096  -5.019
  563    HA   LEU  71           HA       LEU  71  -0.210   3.115  -3.784
  564   1HB   LEU  71          2HB       LEU  71   2.321   3.230  -4.135
  565   2HB   LEU  71          1HB       LEU  71   1.955   3.605  -5.820
  566    HG   LEU  71           HG       LEU  71   0.814   5.599  -5.240
  567   1HD1  LEU  71          2HD1      LEU  71   0.643   4.297  -2.567
  568   2HD1  LEU  71          1HD1      LEU  71   0.723   6.062  -2.601
  569   3HD1  LEU  71          3HD1      LEU  71  -0.582   5.220  -3.451
  570   1HD2  LEU  71          2HD2      LEU  71   3.186   5.310  -3.380
  571   2HD2  LEU  71          1HD2      LEU  71   3.264   5.761  -5.083
  572   3HD2  LEU  71          3HD2      LEU  71   2.491   6.839  -3.920
  573    H    GLN  72           H        GLN  72   0.374   2.032  -7.150
  574    HA   GLN  72           HA       GLN  72  -1.231   4.008  -8.393
  575   1HB   GLN  72          2HB       GLN  72  -0.418   1.226  -9.060
  576   2HB   GLN  72          1HB       GLN  72  -1.822   1.857  -9.923
  577   1HG   GLN  72          2HG       GLN  72  -0.475   3.879 -10.530
  578   2HG   GLN  72          1HG       GLN  72   0.932   3.119  -9.785
  579   1HE2  GLN  72          2HE2      GLN  72   0.600   0.357 -12.349
  580   2HE2  GLN  72          1HE2      GLN  72   0.384   0.399 -10.666
  581    H    VAL  73           H        VAL  73  -2.048   1.195  -6.553
  582    HA   VAL  73           HA       VAL  73  -4.903   1.314  -7.175
  583    HB   VAL  73           HB       VAL  73  -3.358  -0.290  -5.127
  584   1HG1  VAL  73          3HG1      VAL  73  -5.800   0.125  -4.602
  585   2HG1  VAL  73          2HG1      VAL  73  -6.182  -0.681  -6.123
  586   3HG1  VAL  73          1HG1      VAL  73  -5.372  -1.570  -4.835
  587   1HG2  VAL  73          3HG2      VAL  73  -3.522  -0.450  -7.923
  588   2HG2  VAL  73          2HG2      VAL  73  -2.939  -1.712  -6.833
  589   3HG2  VAL  73          1HG2      VAL  73  -4.633  -1.688  -7.336
  590    H    PHE  74           H        PHE  74  -2.891   2.114  -4.316
  591    HA   PHE  74           HA       PHE  74  -4.948   2.850  -2.577
  592   1HB   PHE  74          2HB       PHE  74  -2.071   3.480  -2.899
  593   2HB   PHE  74          1HB       PHE  74  -3.004   4.665  -2.003
  594    HD1  PHE  74           HD2      PHE  74  -4.667   3.679  -0.191
  595    HD2  PHE  74           HD1      PHE  74  -1.250   1.611  -1.771
  596    HE1  PHE  74           HE2      PHE  74  -4.687   2.128   1.732
  597    HE2  PHE  74           HE1      PHE  74  -1.292   0.069   0.171
  598    HZ   PHE  74           HZ       PHE  74  -3.026   0.346   1.907
  599    H    ARG  75           H        ARG  75  -3.053   4.853  -4.802
  600    HA   ARG  75           HA       ARG  75  -4.622   7.215  -4.611
  601   1HB   ARG  75          2HB       ARG  75  -2.581   6.132  -6.444
  602   2HB   ARG  75          1HB       ARG  75  -3.720   7.244  -7.204
  603   1HG   ARG  75          2HG       ARG  75  -2.961   9.043  -6.017
  604   2HG   ARG  75          1HG       ARG  75  -2.684   8.090  -4.559
  605   1HD   ARG  75          2HD       ARG  75  -0.649   9.046  -5.999
  606   2HD   ARG  75          1HD       ARG  75  -0.549   7.481  -5.194
  607    HE   ARG  75           HE       ARG  75  -0.695   6.415  -7.320
  608   1HH1  ARG  75          1HH2      ARG  75  -2.598   7.206  -9.031
  609   2HH1  ARG  75          2HH2      ARG  75  -1.936   8.423 -10.069
  610   1HH2  ARG  75          2HH1      ARG  75   0.751   9.113  -7.989
  611   2HH2  ARG  75          1HH1      ARG  75  -0.040   9.504  -9.479
  612    H    GLU  76           H        GLU  76  -4.922   4.334  -6.744
  613    HA   GLU  76           HA       GLU  76  -6.970   5.323  -8.436
  614   1HB   GLU  76          2HB       GLU  76  -6.056   2.662  -7.536
  615   2HB   GLU  76          1HB       GLU  76  -7.721   2.726  -8.108
  616   1HG   GLU  76          2HG       GLU  76  -7.100   3.427 -10.244
  617   2HG   GLU  76          1HG       GLU  76  -5.539   4.038  -9.696
  618    H    ALA  77           H        ALA  77  -7.130   4.123  -5.135
  619    HA   ALA  77           HA       ALA  77 -10.059   4.075  -5.089
  620   1HB   ALA  77          3HB       ALA  77  -7.993   3.047  -3.459
  621   2HB   ALA  77          2HB       ALA  77  -8.818   4.253  -2.469
  622   3HB   ALA  77          1HB       ALA  77  -9.731   2.921  -3.171
  623    H    LYS  78           H        LYS  78  -7.548   6.192  -3.640
  624    HA   LYS  78           HA       LYS  78  -9.376   8.093  -2.587
  625   1HB   LYS  78          2HB       LYS  78  -7.482   9.392  -2.179
  626   2HB   LYS  78          1HB       LYS  78  -6.790   7.778  -2.261
  627   1HG   LYS  78          2HG       LYS  78  -5.367   8.719  -3.768
  628   2HG   LYS  78          1HG       LYS  78  -6.711   8.515  -4.892
  629   1HD   LYS  78          2HD       LYS  78  -6.329  10.770  -5.189
  630   2HD   LYS  78          1HD       LYS  78  -7.455  10.853  -3.834
  631   1HE   LYS  78          2HE       LYS  78  -5.753  12.163  -2.984
  632   2HE   LYS  78          1HE       LYS  78  -5.205  10.582  -2.425
  633   1HZ   LYS  78          2HZ       LYS  78  -4.355  11.914  -4.941
  634   2HZ   LYS  78          1HZ       LYS  78  -3.430  11.805  -3.520
  635   3HZ   LYS  78          3HZ       LYS  78  -3.818  10.401  -4.389
  636    H    ALA  79           H        ALA  79  -8.544   7.297  -5.791
  637    HA   ALA  79           HA       ALA  79  -9.153   9.932  -6.951
  638   1HB   ALA  79          2HB       ALA  79  -7.701   7.713  -7.795
  639   2HB   ALA  79          1HB       ALA  79  -9.184   7.621  -8.753
  640   3HB   ALA  79          3HB       ALA  79  -8.176   9.073  -8.815
  641    H    GLU  80           H        GLU  80 -10.400   6.709  -7.691
  642    HA   GLU  80           HA       GLU  80 -12.795   7.460  -8.867
  643   1HB   GLU  80          2HB       GLU  80 -12.399   5.039  -7.087
  644   2HB   GLU  80          1HB       GLU  80 -13.597   5.233  -8.364
  645   1HG   GLU  80          2HG       GLU  80 -11.764   5.503 -10.021
  646   2HG   GLU  80          1HG       GLU  80 -10.596   5.187  -8.738
  647    H    GLY  81           H        GLY  81 -12.495   6.476  -5.401
  648   1HA   GLY  81          2HA       GLY  81 -14.356   8.629  -4.676
  649   2HA   GLY  81          1HA       GLY  81 -15.064   7.017  -4.552
  650    H    ALA  82           H        ALA  82 -12.558   5.745  -3.705
  651    HA   ALA  82           HA       ALA  82 -12.765   5.638  -0.991
  652   1HB   ALA  82          2HB       ALA  82 -10.903   4.744  -2.798
  653   2HB   ALA  82          1HB       ALA  82  -9.942   5.836  -1.798
  654   3HB   ALA  82          3HB       ALA  82 -10.813   4.493  -1.058
  655    H    ASP  83           H        ASP  83 -11.926   6.752   0.813
  656    HA   ASP  83           HA       ASP  83 -11.142   9.583   0.267
  657   1HB   ASP  83          2HB       ASP  83 -12.958   8.345   2.156
  658   2HB   ASP  83          1HB       ASP  83 -11.706   9.240   3.018
  659    H    ILE  84           H        ILE  84  -9.075   8.056  -0.160
  660    HA   ILE  84           HA       ILE  84  -7.607   7.605   2.376
  661    HB   ILE  84           HB       ILE  84  -7.048   6.829  -0.496
  662   1HG1  ILE  84          2HG1      ILE  84  -7.260   4.835   1.657
  663   2HG1  ILE  84          1HG1      ILE  84  -8.751   5.711   1.315
  664   1HG2  ILE  84          2HG2      ILE  84  -4.949   7.306   0.788
  665   2HG2  ILE  84          1HG2      ILE  84  -5.479   6.145   2.009
  666   3HG2  ILE  84          3HG2      ILE  84  -5.116   5.600   0.369
  667   1HD1  ILE  84          1HD1      ILE  84  -7.595   5.085  -1.188
  668   2HD1  ILE  84          3HD1      ILE  84  -7.498   3.620  -0.213
  669   3HD1  ILE  84          2HD1      ILE  84  -9.056   4.399  -0.479
  670    H    THR  85           H        THR  85  -5.387   8.380   2.540
  671    HA   THR  85           HA       THR  85  -4.936  10.914   1.024
  672    HB   THR  85           HB       THR  85  -3.954  10.241   3.817
  673    HG1  THR  85           HG1      THR  85  -6.328  10.603   3.364
  674   1HG2  THR  85          1HG2      THR  85  -3.913  12.740   2.110
  675   2HG2  THR  85          3HG2      THR  85  -3.598  12.755   3.845
  676   3HG2  THR  85          2HG2      THR  85  -2.531  11.861   2.762
  677    H    ILE  86           H        ILE  86  -3.657   9.943  -0.592
  678    HA   ILE  86           HA       ILE  86  -1.500   8.128   0.114
  679    HB   ILE  86           HB       ILE  86  -2.697   9.203  -2.357
  680   1HG1  ILE  86          2HG1      ILE  86  -2.512   6.938  -3.057
  681   2HG1  ILE  86          1HG1      ILE  86  -1.211   6.607  -1.916
  682   1HG2  ILE  86          2HG2      ILE  86   0.261   8.534  -2.233
  683   2HG2  ILE  86          1HG2      ILE  86  -0.673   8.629  -3.725
  684   3HG2  ILE  86          3HG2      ILE  86  -0.453  10.068  -2.731
  685   1HD1  ILE  86          1HD1      ILE  86  -3.488   7.531  -0.434
  686   2HD1  ILE  86          3HD1      ILE  86  -4.016   6.258  -1.531
  687   3HD1  ILE  86          2HD1      ILE  86  -2.719   5.942  -0.378
  688    H    ILE  87           H        ILE  87   0.256   8.851   1.132
  689    HA   ILE  87           HA       ILE  87   1.257  11.586   0.424
  690    HB   ILE  87           HB       ILE  87   1.893  10.032   2.938
  691   1HG1  ILE  87          2HG1      ILE  87  -0.287  12.079   2.430
  692   2HG1  ILE  87          1HG1      ILE  87  -0.527  10.384   2.851
  693   1HG2  ILE  87          1HG2      ILE  87   3.272  12.067   2.010
  694   2HG2  ILE  87          3HG2      ILE  87   1.910  13.015   2.607
  695   3HG2  ILE  87          2HG2      ILE  87   2.842  12.013   3.720
  696   1HD1  ILE  87          3HD1      ILE  87   1.242  11.687   4.750
  697   2HD1  ILE  87          2HD1      ILE  87  -0.302  12.531   4.640
  698   3HD1  ILE  87          1HD1      ILE  87  -0.262  10.816   5.047
  699    H    LEU  88           H        LEU  88   2.912  11.388  -1.002
  700    HA   LEU  88           HA       LEU  88   4.773   9.077  -0.704
  701   1HB   LEU  88          2HB       LEU  88   4.066  10.892  -3.007
  702   2HB   LEU  88          1HB       LEU  88   5.541   9.924  -3.031
  703    HG   LEU  88           HG       LEU  88   3.107   8.454  -2.227
  704   1HD1  LEU  88          1HD1      LEU  88   2.697  10.193  -4.280
  705   2HD1  LEU  88          3HD1      LEU  88   3.342   8.806  -5.159
  706   3HD1  LEU  88          2HD1      LEU  88   1.901   8.624  -4.159
  707   1HD2  LEU  88          3HD2      LEU  88   5.707   7.995  -3.372
  708   2HD2  LEU  88          2HD2      LEU  88   4.555   6.811  -2.753
  709   3HD2  LEU  88          1HD2      LEU  88   4.478   7.318  -4.441
  710    H    SER  89           HN       SER  89   5.585  12.086  -2.323
  711    HA   SER  89           HA       SER  89   7.278  13.651  -1.885
  712   1HB   SER  89          2HB       SER  89   6.230  12.910   0.797
  713   2HB   SER  89          1HB       SER  89   7.808  13.699   0.764
  714    HG   SER  89           HG       SER  89   5.358  14.746   0.380
   
  No H/Q in entry =         714
  Start of MODEL   18
    1   1H    LYS   1          2H        LYS   1  -8.458   5.156   8.974
    2   2H    LYS   1          1H        LYS   1  -8.499   4.025   7.707
    3   3H    LYS   1          3H        LYS   1  -9.301   3.693   9.164
    4    HA   LYS   1           HA       LYS   1  -7.252   3.521  10.354
    5   1HB   LYS   1          2HB       LYS   1  -6.743   2.022   7.795
    6   2HB   LYS   1          1HB       LYS   1  -6.532   1.479   9.461
    7   1HG   LYS   1          2HG       LYS   1  -9.222   2.084   8.203
    8   2HG   LYS   1          1HG       LYS   1  -8.531   0.467   8.326
    9   1HD   LYS   1          2HD       LYS   1  -8.306   1.612  10.901
   10   2HD   LYS   1          1HD       LYS   1  -9.937   1.983  10.337
   11   1HE   LYS   1          2HE       LYS   1 -10.476  -0.120  10.969
   12   2HE   LYS   1          1HE       LYS   1  -9.580  -0.653   9.547
   13   1HZ   LYS   1          2HZ       LYS   1  -8.208  -0.105  12.104
   14   2HZ   LYS   1          1HZ       LYS   1  -8.928  -1.614  11.801
   15   3HZ   LYS   1          3HZ       LYS   1  -7.681  -1.054  10.797
   16    H    LYS   2           H        LYS   2  -4.801   3.378  10.083
   17    HA   LYS   2           HA       LYS   2  -3.915   5.350   8.027
   18   1HB   LYS   2          2HB       LYS   2  -2.616   6.518   9.561
   19   2HB   LYS   2          1HB       LYS   2  -4.005   6.079  10.548
   20   1HG   LYS   2          2HG       LYS   2  -2.280   5.430  11.947
   21   2HG   LYS   2          1HG       LYS   2  -2.544   3.927  11.067
   22   1HD   LYS   2          2HD       LYS   2  -0.231   4.176  10.863
   23   2HD   LYS   2          1HD       LYS   2  -0.790   4.955   9.382
   24   1HE   LYS   2          2HE       LYS   2   0.373   6.768  10.061
   25   2HE   LYS   2          1HE       LYS   2  -0.902   6.998  11.259
   26   1HZ   LYS   2          2HZ       LYS   2   0.633   5.121  12.416
   27   2HZ   LYS   2          1HZ       LYS   2   1.801   6.048  11.604
   28   3HZ   LYS   2          3HZ       LYS   2   0.759   6.788  12.719
   29    H    ALA   3           H        ALA   3  -2.752   4.250   6.569
   30    HA   ALA   3           HA       ALA   3  -1.093   1.956   7.453
   31   1HB   ALA   3          1HB       ALA   3  -2.152   2.893   4.794
   32   2HB   ALA   3          3HB       ALA   3  -0.789   1.776   4.863
   33   3HB   ALA   3          2HB       ALA   3  -2.341   1.318   5.564
   34    H    VAL   4           H        VAL   4   1.153   1.992   7.231
   35    HA   VAL   4           HA       VAL   4   2.334   4.490   6.119
   36    HB   VAL   4           HB       VAL   4   2.900   3.212   8.803
   37   1HG1  VAL   4          2HG1      VAL   4   4.633   4.891   7.037
   38   2HG1  VAL   4          1HG1      VAL   4   4.655   5.220   8.770
   39   3HG1  VAL   4          3HG1      VAL   4   5.087   3.619   8.170
   40   1HG2  VAL   4          2HG2      VAL   4   1.191   5.225   8.114
   41   2HG2  VAL   4          1HG2      VAL   4   1.974   5.102   9.689
   42   3HG2  VAL   4          3HG2      VAL   4   2.663   6.141   8.441
   43    H    ILE   5           H        ILE   5   3.822   4.006   4.637
   44    HA   ILE   5           HA       ILE   5   4.909   1.254   4.504
   45    HB   ILE   5           HB       ILE   5   5.381   3.493   2.533
   46   1HG1  ILE   5          2HG1      ILE   5   2.862   2.923   3.231
   47   2HG1  ILE   5          1HG1      ILE   5   3.297   3.228   1.563
   48   1HG2  ILE   5          3HG2      ILE   5   5.818   0.581   2.659
   49   2HG2  ILE   5          2HG2      ILE   5   5.101   1.141   1.149
   50   3HG2  ILE   5          1HG2      ILE   5   6.641   1.806   1.692
   51   1HD1  ILE   5          2HD1      ILE   5   3.622   0.421   2.391
   52   2HD1  ILE   5          1HD1      ILE   5   1.960   1.008   2.437
   53   3HD1  ILE   5          3HD1      ILE   5   2.881   1.092   0.935
   54    H    ASN   6           H        ASN   6   7.252   0.949   4.409
   55    HA   ASN   6           HA       ASN   6   8.782   3.333   5.343
   56   1HB   ASN   6          2HB       ASN   6   9.508   0.607   6.361
   57   2HB   ASN   6          1HB       ASN   6   9.777   2.185   7.100
   58   1HD2  ASN   6          2HD2      ASN   6   7.022   1.580   9.186
   59   2HD2  ASN   6          1HD2      ASN   6   8.664   1.984   9.052
   60    H    GLY   7           H        GLY   7  10.375   3.743   3.914
   61   1HA   GLY   7          2HA       GLY   7  11.247   1.660   2.038
   62   2HA   GLY   7          1HA       GLY   7  11.775   3.349   2.033
   63    H    GLU   8           H        GLU   8  12.162   2.834   5.108
   64    HA   GLU   8           HA       GLU   8  14.921   1.760   4.788
   65   1HB   GLU   8          2HB       GLU   8  14.498   4.128   5.717
   66   2HB   GLU   8          1HB       GLU   8  13.900   3.318   7.165
   67   1HG   GLU   8          2HG       GLU   8  16.164   3.623   7.675
   68   2HG   GLU   8          1HG       GLU   8  16.148   1.982   7.029
   69    H    GLN   9           H        GLN   9  11.864   1.037   6.047
   70    HA   GLN   9           HA       GLN   9  13.017  -0.941   7.959
   71   1HB   GLN   9          2HB       GLN   9  11.061   0.850   8.473
   72   2HB   GLN   9          1HB       GLN   9  10.081  -0.484   7.863
   73   1HG   GLN   9          2HG       GLN   9  10.500  -1.787   9.679
   74   2HG   GLN   9          1HG       GLN   9  12.190  -1.289   9.764
   75   1HE2  GLN   9          2HE2      GLN   9  11.409   1.662  11.749
   76   2HE2  GLN   9          1HE2      GLN   9  12.407   1.188  10.460
   77    H    ILE  10           H        ILE  10  11.287  -0.546   5.020
   78    HA   ILE  10           HA       ILE  10  10.335  -3.318   4.922
   79    HB   ILE  10           HB       ILE  10  10.457  -1.144   2.811
   80   1HG1  ILE  10          2HG1      ILE  10   8.884  -0.814   4.752
   81   2HG1  ILE  10          1HG1      ILE  10   8.066  -0.954   3.197
   82   1HG2  ILE  10          3HG2      ILE  10   9.702  -4.022   2.715
   83   2HG2  ILE  10          2HG2      ILE  10   8.645  -2.894   1.865
   84   3HG2  ILE  10          1HG2      ILE  10  10.356  -2.987   1.444
   85   1HD1  ILE  10          2HD1      ILE  10   7.894  -3.480   3.738
   86   2HD1  ILE  10          1HD1      ILE  10   8.289  -3.012   5.392
   87   3HD1  ILE  10          3HD1      ILE  10   6.832  -2.383   4.622
   88    H    ARG  11           H        ARG  11  12.056  -4.710   4.948
   89    HA   ARG  11           HA       ARG  11  14.587  -4.244   3.671
   90   1HB   ARG  11          2HB       ARG  11  13.720  -7.072   3.838
   91   2HB   ARG  11          1HB       ARG  11  15.183  -6.304   4.460
   92   1HG   ARG  11          2HG       ARG  11  13.682  -5.227   6.232
   93   2HG   ARG  11          1HG       ARG  11  12.437  -6.364   5.705
   94   1HD   ARG  11          2HD       ARG  11  14.458  -8.102   6.003
   95   2HD   ARG  11          1HD       ARG  11  14.987  -6.887   7.167
   96    HE   ARG  11           HE       ARG  11  12.278  -8.153   7.305
   97   1HH1  ARG  11          1HH2      ARG  11  13.540  -5.762   8.967
   98   2HH1  ARG  11          2HH2      ARG  11  13.793  -6.585  10.470
   99   1HH2  ARG  11          2HH1      ARG  11  13.316  -9.746   9.124
  100   2HH2  ARG  11          1HH1      ARG  11  13.665  -8.840  10.559
  101    H    SER  12           H        SER  12  11.704  -6.032   2.666
  102    HA   SER  12           HA       SER  12  12.455  -5.563  -0.163
  103   1HB   SER  12          2HB       SER  12  12.346  -7.863  -0.800
  104   2HB   SER  12          1HB       SER  12  13.401  -7.813   0.609
  105    HG   SER  12           HG       SER  12  11.647  -8.451   1.878
  106    H    ILE  13           H        ILE  13  10.552  -6.378  -1.603
  107    HA   ILE  13           HA       ILE  13   8.178  -5.088  -0.848
  108    HB   ILE  13           HB       ILE  13   8.849  -6.002  -3.159
  109   1HG1  ILE  13          2HG1      ILE  13   6.458  -6.266  -3.817
  110   2HG1  ILE  13          1HG1      ILE  13   6.032  -6.356  -2.107
  111   1HG2  ILE  13          3HG2      ILE  13   7.485  -8.448  -1.999
  112   2HG2  ILE  13          2HG2      ILE  13   7.918  -8.231  -3.695
  113   3HG2  ILE  13          1HG2      ILE  13   9.181  -8.340  -2.469
  114   1HD1  ILE  13          2HD1      ILE  13   7.641  -4.074  -2.313
  115   2HD1  ILE  13          1HD1      ILE  13   6.597  -4.015  -3.732
  116   3HD1  ILE  13          3HD1      ILE  13   5.888  -4.109  -2.121
  117    H    SER  14           H        SER  14   9.395  -8.171   0.148
  118    HA   SER  14           HA       SER  14   6.979  -9.480   0.872
  119   1HB   SER  14          2HB       SER  14   9.802  -9.799   1.401
  120   2HB   SER  14          1HB       SER  14   8.884 -10.053   2.883
  121    HG   SER  14           HG       SER  14   8.114 -11.210   0.421
  122    H    ASP  15           H        ASP  15   9.052  -7.265   2.768
  123    HA   ASP  15           HA       ASP  15   7.332  -7.234   5.067
  124   1HB   ASP  15          2HB       ASP  15   9.743  -5.864   4.130
  125   2HB   ASP  15          1HB       ASP  15   8.689  -4.811   5.065
  126    H    LEU  16           H        LEU  16   7.281  -5.677   2.015
  127    HA   LEU  16           HA       LEU  16   5.628  -3.413   2.657
  128   1HB   LEU  16          2HB       LEU  16   6.947  -3.757   0.525
  129   2HB   LEU  16          1HB       LEU  16   5.731  -4.932   0.040
  130    HG   LEU  16           HG       LEU  16   4.271  -3.311  -0.579
  131   1HD1  LEU  16          2HD1      LEU  16   5.086  -1.810   1.928
  132   2HD1  LEU  16          1HD1      LEU  16   3.895  -1.211   0.773
  133   3HD1  LEU  16          3HD1      LEU  16   3.590  -2.705   1.661
  134   1HD2  LEU  16          1HD2      LEU  16   6.521  -2.506  -1.415
  135   2HD2  LEU  16          3HD2      LEU  16   5.282  -1.255  -1.282
  136   3HD2  LEU  16          2HD2      LEU  16   6.537  -1.390  -0.050
  137    H    HIS  17           H        HIS  17   4.834  -6.600   1.235
  138    HA   HIS  17           HA       HIS  17   2.032  -6.329   1.204
  139   1HB   HIS  17          2HB       HIS  17   3.660  -8.813   1.792
  140   2HB   HIS  17          1HB       HIS  17   1.989  -8.793   1.224
  141    HD1  HIS  17           HD1      HIS  17   2.741 -10.120  -0.909
  142    HD2  HIS  17           HD2      HIS  17   4.497  -6.349  -0.563
  143    HE1  HIS  17           HE1      HIS  17   3.796  -9.610  -3.151
  144    H    GLN  18           H        GLN  18   4.209  -7.029   3.827
  145    HA   GLN  18           HA       GLN  18   2.081  -7.819   5.659
  146   1HB   GLN  18          2HB       GLN  18   4.912  -7.004   6.347
  147   2HB   GLN  18          1HB       GLN  18   3.812  -7.962   7.338
  148   1HG   GLN  18          2HG       GLN  18   3.764  -9.548   5.234
  149   2HG   GLN  18          1HG       GLN  18   5.293  -8.755   4.853
  150   1HE2  GLN  18          2HE2      GLN  18   6.039 -11.713   7.021
  151   2HE2  GLN  18          1HE2      GLN  18   5.315 -11.500   5.501
  152    H    THR  19           H        THR  19   3.753  -4.909   4.802
  153    HA   THR  19           HA       THR  19   2.867  -3.379   7.096
  154    HB   THR  19           HB       THR  19   3.963  -2.590   4.393
  155    HG1  THR  19           HG1      THR  19   5.032  -2.228   6.984
  156   1HG2  THR  19          2HG2      THR  19   2.422  -0.981   6.181
  157   2HG2  THR  19          1HG2      THR  19   4.098  -0.444   6.266
  158   3HG2  THR  19          3HG2      THR  19   3.265  -0.483   4.713
  159    H    LEU  20           H        LEU  20   1.650  -3.922   3.871
  160    HA   LEU  20           HA       LEU  20  -0.601  -2.075   4.225
  161   1HB   LEU  20          2HB       LEU  20  -0.539  -4.236   2.140
  162   2HB   LEU  20          1HB       LEU  20  -1.188  -2.591   2.019
  163    HG   LEU  20           HG       LEU  20   1.709  -3.402   2.146
  164   1HD1  LEU  20          1HD1      LEU  20  -0.089  -3.094  -0.011
  165   2HD1  LEU  20          3HD1      LEU  20   0.962  -1.678  -0.039
  166   3HD1  LEU  20          2HD1      LEU  20   1.661  -3.296  -0.103
  167   1HD2  LEU  20          1HD2      LEU  20   1.088  -1.288   3.427
  168   2HD2  LEU  20          3HD2      LEU  20   2.277  -1.072   2.142
  169   3HD2  LEU  20          2HD2      LEU  20   0.597  -0.603   1.877
  170    H    LYS  21           H        LYS  21   0.083  -5.500   4.400
  171    HA   LYS  21           HA       LYS  21  -2.664  -6.319   4.846
  172   1HB   LYS  21          2HB       LYS  21   0.031  -7.592   5.174
  173   2HB   LYS  21          1HB       LYS  21  -1.360  -8.327   5.970
  174   1HG   LYS  21          2HG       LYS  21  -2.203  -7.711   3.351
  175   2HG   LYS  21          1HG       LYS  21  -0.611  -8.458   3.200
  176   1HD   LYS  21          2HD       LYS  21  -2.895  -9.595   4.841
  177   2HD   LYS  21          1HD       LYS  21  -2.443 -10.152   3.234
  178   1HE   LYS  21          2HE       LYS  21  -0.608 -10.153   5.643
  179   2HE   LYS  21          1HE       LYS  21  -1.448 -11.569   5.011
  180   1HZ   LYS  21          3HZ       LYS  21  -0.112 -10.279   2.905
  181   2HZ   LYS  21          2HZ       LYS  21   0.990 -10.509   4.178
  182   3HZ   LYS  21          1HZ       LYS  21   0.152 -11.835   3.527
  183    H    LYS  22           H        LYS  22  -0.135  -4.945   6.790
  184    HA   LYS  22           HA       LYS  22  -1.355  -5.746   9.339
  185   1HB   LYS  22          2HB       LYS  22   0.986  -5.554   9.481
  186   2HB   LYS  22          1HB       LYS  22   1.015  -4.070   8.530
  187   1HG   LYS  22          2HG       LYS  22   0.093  -2.790  10.338
  188   2HG   LYS  22          1HG       LYS  22  -0.274  -4.247  11.264
  189   1HD   LYS  22          2HD       LYS  22   1.839  -4.405  12.064
  190   2HD   LYS  22          1HD       LYS  22   2.549  -4.054  10.488
  191   1HE   LYS  22          2HE       LYS  22   1.225  -1.707  11.562
  192   2HE   LYS  22          1HE       LYS  22   2.431  -2.321  12.694
  193   1HZ   LYS  22          2HZ       LYS  22   3.470  -2.438  10.085
  194   2HZ   LYS  22          1HZ       LYS  22   2.863  -0.873  10.356
  195   3HZ   LYS  22          3HZ       LYS  22   4.025  -1.524  11.406
  196    H    GLU  23           H        GLU  23  -0.976  -2.705   7.482
  197    HA   GLU  23           HA       GLU  23  -2.567  -1.197   9.388
  198   1HB   GLU  23          2HB       GLU  23  -1.970  -0.430   6.531
  199   2HB   GLU  23          1HB       GLU  23  -2.330   0.644   7.884
  200   1HG   GLU  23          2HG       GLU  23   0.045  -1.210   7.978
  201   2HG   GLU  23          1HG       GLU  23   0.157   0.359   7.179
  202    H    LEU  24           H        LEU  24  -3.124  -2.309   6.099
  203    HA   LEU  24           HA       LEU  24  -5.908  -1.593   6.051
  204   1HB   LEU  24          2HB       LEU  24  -4.644  -3.789   4.399
  205   2HB   LEU  24          1HB       LEU  24  -6.004  -2.753   3.971
  206    HG   LEU  24           HG       LEU  24  -3.296  -1.560   4.538
  207   1HD1  LEU  24          2HD1      LEU  24  -4.277  -2.834   1.983
  208   2HD1  LEU  24          1HD1      LEU  24  -3.002  -1.616   2.007
  209   3HD1  LEU  24          3HD1      LEU  24  -2.772  -3.148   2.847
  210   1HD2  LEU  24          1HD2      LEU  24  -5.719  -0.424   4.142
  211   2HD2  LEU  24          3HD2      LEU  24  -4.205   0.344   3.674
  212   3HD2  LEU  24          2HD2      LEU  24  -5.158  -0.528   2.473
  213    H    ALA  25           H        ALA  25  -4.124  -4.241   7.377
  214    HA   ALA  25           HA       ALA  25  -4.862  -6.038   8.700
  215   1HB   ALA  25          1HB       ALA  25  -6.824  -4.075   8.981
  216   2HB   ALA  25          3HB       ALA  25  -7.727  -5.522   8.529
  217   3HB   ALA  25          2HB       ALA  25  -6.679  -5.544   9.948
  218    H    LEU  26           H        LEU  26  -4.370  -6.626   6.120
  219    HA   LEU  26           HA       LEU  26  -6.722  -7.895   4.888
  220   1HB   LEU  26          2HB       LEU  26  -3.861  -8.198   3.981
  221   2HB   LEU  26          1HB       LEU  26  -5.335  -8.265   3.009
  222    HG   LEU  26           HG       LEU  26  -4.392  -5.774   4.455
  223   1HD1  LEU  26          3HD1      LEU  26  -3.370  -6.964   2.086
  224   2HD1  LEU  26          2HD1      LEU  26  -4.337  -5.576   1.588
  225   3HD1  LEU  26          1HD1      LEU  26  -3.009  -5.363   2.728
  226   1HD2  LEU  26          1HD2      LEU  26  -6.860  -6.546   3.222
  227   2HD2  LEU  26          3HD2      LEU  26  -6.437  -4.987   3.930
  228   3HD2  LEU  26          2HD2      LEU  26  -6.114  -5.299   2.224
  229    HA   PRO  27           HA       PRO  27  -5.956 -11.956   6.384
  230   1HB   PRO  27          2HB       PRO  27  -6.875 -13.415   4.248
  231   2HB   PRO  27          1HB       PRO  27  -7.944 -12.544   5.366
  232   1HG   PRO  27          2HG       PRO  27  -7.183 -11.847   2.572
  233   2HG   PRO  27          1HG       PRO  27  -8.639 -11.407   3.479
  234   1HD   PRO  27          2HD       PRO  27  -6.394  -9.737   2.997
  235   2HD   PRO  27          1HD       PRO  27  -7.718  -9.414   4.138
  236    H    GLU  28           H        GLU  28  -5.227 -14.236   5.052
  237    HA   GLU  28           HA       GLU  28  -2.408 -13.731   4.463
  238   1HB   GLU  28          2HB       GLU  28  -2.968 -15.699   5.754
  239   2HB   GLU  28          1HB       GLU  28  -4.074 -16.261   4.499
  240   1HG   GLU  28          2HG       GLU  28  -2.360 -17.358   3.542
  241   2HG   GLU  28          1HG       GLU  28  -1.592 -15.803   3.220
  242    H    TYR  29           H        TYR  29  -5.132 -15.172   2.638
  243    HA   TYR  29           HA       TYR  29  -3.711 -15.573   0.222
  244   1HB   TYR  29          2HB       TYR  29  -5.936 -15.643  -0.859
  245   2HB   TYR  29          1HB       TYR  29  -5.903 -16.580   0.639
  246    HD1  TYR  29           HD1      TYR  29  -6.636 -13.115  -0.597
  247    HD2  TYR  29           HD2      TYR  29  -7.539 -16.194   2.258
  248    HE1  TYR  29           HE1      TYR  29  -8.495 -11.739   0.297
  249    HE2  TYR  29           HE2      TYR  29  -9.397 -14.816   3.156
  250    HH   TYR  29           HH       TYR  29 -10.111 -11.591   1.805
  251    H    TYR  30           H        TYR  30  -4.674 -12.634   1.650
  252    HA   TYR  30           HA       TYR  30  -5.327 -10.941  -0.446
  253   1HB   TYR  30          2HB       TYR  30  -5.206  -9.833   1.585
  254   2HB   TYR  30          1HB       TYR  30  -3.690 -10.600   2.031
  255    HD1  TYR  30           HD2      TYR  30  -5.139  -8.151  -0.402
  256    HD2  TYR  30           HD1      TYR  30  -1.660  -9.429   1.769
  257    HE1  TYR  30           HE2      TYR  30  -3.909  -6.146  -1.185
  258    HE2  TYR  30           HE1      TYR  30  -0.434  -7.423   0.995
  259    HH   TYR  30           HH       TYR  30  -1.271  -4.962   0.173
  260    H    GLY  31           H        GLY  31  -4.061  -9.677  -1.947
  261   1HA   GLY  31          2HA       GLY  31  -1.359 -10.835  -2.513
  262   2HA   GLY  31          1HA       GLY  31  -2.505 -10.457  -3.804
  263    H    GLU  32           H        GLU  32   0.221  -9.337  -3.215
  264    HA   GLU  32           HA       GLU  32  -0.360  -6.537  -2.486
  265   1HB   GLU  32          2HB       GLU  32   1.746  -7.796  -1.786
  266   2HB   GLU  32          1HB       GLU  32   2.264  -7.675  -3.467
  267   1HG   GLU  32          2HG       GLU  32   3.200  -5.722  -2.714
  268   2HG   GLU  32          1HG       GLU  32   1.581  -5.105  -3.043
  269    H    ASN  33           H        ASN  33  -1.589  -7.595  -4.909
  270    HA   ASN  33           HA       ASN  33  -0.127  -6.015  -6.976
  271   1HB   ASN  33          2HB       ASN  33  -2.126  -7.466  -8.277
  272   2HB   ASN  33          1HB       ASN  33  -0.404  -7.826  -8.279
  273   1HD2  ASN  33          2HD2      ASN  33  -2.788  -9.904  -5.634
  274   2HD2  ASN  33          1HD2      ASN  33  -3.230  -8.326  -6.073
  275    H    LEU  34           H        LEU  34  -2.042  -5.398  -8.754
  276    HA   LEU  34           HA       LEU  34  -3.605  -3.415  -7.287
  277   1HB   LEU  34          2HB       LEU  34  -4.134  -3.885 -10.178
  278   2HB   LEU  34          1HB       LEU  34  -3.912  -2.368  -9.307
  279    HG   LEU  34           HG       LEU  34  -1.784  -4.299 -10.247
  280   1HD1  LEU  34          2HD1      LEU  34  -2.407  -1.373 -10.718
  281   2HD1  LEU  34          1HD1      LEU  34  -0.885  -2.124 -11.202
  282   3HD1  LEU  34          3HD1      LEU  34  -2.404  -2.676 -11.907
  283   1HD2  LEU  34          1HD2      LEU  34  -1.817  -2.644  -7.869
  284   2HD2  LEU  34          3HD2      LEU  34  -0.566  -3.751  -8.434
  285   3HD2  LEU  34          2HD2      LEU  34  -0.582  -2.077  -8.993
  286    H    ASP  35           H        ASP  35  -4.143  -6.635  -8.266
  287    HA   ASP  35           HA       ASP  35  -7.034  -6.321  -8.614
  288   1HB   ASP  35          2HB       ASP  35  -6.641  -8.991  -8.166
  289   2HB   ASP  35          1HB       ASP  35  -6.645  -8.230  -9.752
  290    H    ALA  36           H        ALA  36  -5.052  -8.144  -6.256
  291    HA   ALA  36           HA       ALA  36  -7.251  -8.514  -4.449
  292   1HB   ALA  36          2HB       ALA  36  -4.959  -9.797  -4.671
  293   2HB   ALA  36          1HB       ALA  36  -4.418  -8.597  -3.496
  294   3HB   ALA  36          3HB       ALA  36  -5.759  -9.676  -3.104
  295    H    LEU  37           H        LEU  37  -4.529  -6.269  -4.430
  296    HA   LEU  37           HA       LEU  37  -5.175  -5.011  -1.944
  297   1HB   LEU  37          2HB       LEU  37  -3.021  -4.699  -3.178
  298   2HB   LEU  37          1HB       LEU  37  -3.895  -3.713  -4.351
  299    HG   LEU  37           HG       LEU  37  -4.665  -2.696  -1.860
  300   1HD1  LEU  37          1HD1      LEU  37  -1.690  -3.283  -1.972
  301   2HD1  LEU  37          3HD1      LEU  37  -2.429  -2.134  -0.856
  302   3HD1  LEU  37          2HD1      LEU  37  -2.835  -3.847  -0.754
  303   1HD2  LEU  37          2HD2      LEU  37  -2.868  -1.844  -4.103
  304   2HD2  LEU  37          1HD2      LEU  37  -4.409  -1.170  -3.584
  305   3HD2  LEU  37          3HD2      LEU  37  -2.952  -0.843  -2.651
  306    H    TRP  38           H        TRP  38  -5.847  -3.899  -5.272
  307    HA   TRP  38           HA       TRP  38  -7.547  -1.750  -4.590
  308   1HB   TRP  38          2HB       TRP  38  -6.751  -2.178  -6.883
  309   2HB   TRP  38          1HB       TRP  38  -7.662  -3.675  -6.911
  310    HD1  TRP  38           HD1      TRP  38  -9.683  -3.525  -8.238
  311    HE1  TRP  38           HE1      TRP  38 -11.474  -1.755  -8.800
  312    HE3  TRP  38           HE3      TRP  38  -7.876   0.438  -5.571
  313    HZ2  TRP  38           HZ2      TRP  38 -12.042   0.979  -8.217
  314    HZ3  TRP  38           HZ3      TRP  38  -9.041   2.618  -5.625
  315    HH2  TRP  38           HH2      TRP  38 -11.127   2.891  -6.932
  316    H    ASP  39           H        ASP  39  -8.187  -5.166  -5.032
  317    HA   ASP  39           HA       ASP  39 -11.003  -5.113  -4.671
  318   1HB   ASP  39          2HB       ASP  39  -8.870  -7.136  -4.526
  319   2HB   ASP  39          1HB       ASP  39 -10.267  -7.489  -3.508
  320    H    ALA  40           H        ALA  40  -8.359  -5.021  -2.392
  321    HA   ALA  40           HA       ALA  40 -10.136  -5.319  -0.072
  322   1HB   ALA  40          2HB       ALA  40  -7.645  -6.003  -0.184
  323   2HB   ALA  40          1HB       ALA  40  -7.304  -4.287   0.042
  324   3HB   ALA  40          3HB       ALA  40  -8.204  -5.177   1.272
  325    H    LEU  41           H        LEU  41  -7.852  -2.699  -0.897
  326    HA   LEU  41           HA       LEU  41  -8.733  -0.673   0.664
  327   1HB   LEU  41          2HB       LEU  41  -7.812  -0.669  -2.173
  328   2HB   LEU  41          1HB       LEU  41  -8.415   0.837  -1.481
  329    HG   LEU  41           HG       LEU  41  -6.455  -0.767   0.108
  330   1HD1  LEU  41          1HD1      LEU  41  -5.504  -0.666  -2.187
  331   2HD1  LEU  41          3HD1      LEU  41  -5.680   1.091  -2.167
  332   3HD1  LEU  41          2HD1      LEU  41  -4.569   0.299  -1.039
  333   1HD2  LEU  41          1HD2      LEU  41  -7.720   1.527   0.631
  334   2HD2  LEU  41          3HD2      LEU  41  -6.077   1.219   1.191
  335   3HD2  LEU  41          2HD2      LEU  41  -6.347   2.188  -0.259
  336    H    THR  42           H        THR  42 -10.124  -1.074  -2.567
  337    HA   THR  42           HA       THR  42 -12.487   0.459  -1.713
  338    HB   THR  42           HB       THR  42 -11.574   0.811  -3.977
  339    HG1  THR  42           HG1      THR  42 -13.590   1.227  -4.319
  340   1HG2  THR  42          1HG2      THR  42 -11.802  -2.126  -4.020
  341   2HG2  THR  42          3HG2      THR  42 -12.357  -1.325  -5.489
  342   3HG2  THR  42          2HG2      THR  42 -10.709  -1.067  -4.913
  343    H    GLY  43           H        GLY  43 -12.428  -1.714  -0.128
  344   1HA   GLY  43          2HA       GLY  43 -14.869  -2.899  -0.160
  345   2HA   GLY  43          1HA       GLY  43 -13.995  -3.897  -1.324
  346    H    TRP  44           H        TRP  44 -12.504  -2.439   1.564
  347    HA   TRP  44           HA       TRP  44 -12.747  -4.765   3.237
  348   1HB   TRP  44          2HB       TRP  44 -11.290  -5.837   1.598
  349   2HB   TRP  44          1HB       TRP  44 -10.164  -4.482   1.679
  350    HD1  TRP  44           HD1      TRP  44  -9.177  -4.001   4.271
  351    HE1  TRP  44           HE1      TRP  44  -8.365  -5.742   5.987
  352    HE3  TRP  44           HE3      TRP  44 -11.453  -8.182   2.426
  353    HZ2  TRP  44           HZ2      TRP  44  -8.644  -8.544   6.510
  354    HZ3  TRP  44           HZ3      TRP  44 -11.164 -10.372   3.551
  355    HH2  TRP  44           HH2      TRP  44  -9.764 -10.557   5.589
  356    H    VAL  45           H        VAL  45 -10.608  -2.141   2.253
  357    HA   VAL  45           HA       VAL  45  -9.591  -1.618   4.907
  358    HB   VAL  45           HB       VAL  45  -9.525  -0.287   2.228
  359   1HG1  VAL  45          3HG1      VAL  45  -9.958   1.545   3.809
  360   2HG1  VAL  45          2HG1      VAL  45  -8.579   1.026   4.782
  361   3HG1  VAL  45          1HG1      VAL  45  -8.325   1.633   3.147
  362   1HG2  VAL  45          1HG2      VAL  45  -7.466  -1.239   4.233
  363   2HG2  VAL  45          3HG2      VAL  45  -7.861  -1.975   2.679
  364   3HG2  VAL  45          2HG2      VAL  45  -7.055  -0.406   2.733
  365    H    GLU  46           H        GLU  46  -9.972   0.617   5.925
  366    HA   GLU  46           HA       GLU  46 -12.844   1.402   5.637
  367   1HB   GLU  46          2HB       GLU  46 -11.228   0.728   8.038
  368   2HB   GLU  46          1HB       GLU  46 -12.275   2.140   8.187
  369   1HG   GLU  46          2HG       GLU  46 -13.457  -0.289   6.930
  370   2HG   GLU  46          1HG       GLU  46 -13.164  -0.348   8.669
  371    H    TYR  47           H        TYR  47 -12.892   3.382   4.736
  372    HA   TYR  47           HA       TYR  47 -10.623   5.233   5.121
  373   1HB   TYR  47          2HB       TYR  47 -13.116   5.524   3.420
  374   2HB   TYR  47          1HB       TYR  47 -11.657   6.513   3.315
  375    HD1  TYR  47           HD2      TYR  47  -9.446   4.672   3.468
  376    HD2  TYR  47           HD1      TYR  47 -13.253   4.150   1.538
  377    HE1  TYR  47           HE2      TYR  47  -8.434   3.011   1.920
  378    HE2  TYR  47           HE1      TYR  47 -12.236   2.500  -0.009
  379    HH   TYR  47           HH       TYR  47  -9.669   2.155  -0.875
  380    HA   PRO  48           HA       PRO  48 -10.837   7.662   4.409
  381   1HB   PRO  48          2HB       PRO  48  -9.657   9.562   6.010
  382   2HB   PRO  48          1HB       PRO  48 -11.132   9.836   5.061
  383   1HG   PRO  48          2HG       PRO  48 -10.842   9.361   8.001
  384   2HG   PRO  48          1HG       PRO  48 -12.063  10.307   7.131
  385   1HD   PRO  48          2HD       PRO  48 -12.479   7.738   8.158
  386   2HD   PRO  48          1HD       PRO  48 -13.458   8.493   6.879
  387    H    LEU  49           H        LEU  49  -8.770   6.980   4.060
  388    HA   LEU  49           HA       LEU  49  -7.368   5.690   6.358
  389   1HB   LEU  49          2HB       LEU  49  -7.831   3.986   4.832
  390   2HB   LEU  49          1HB       LEU  49  -7.640   5.050   3.442
  391    HG   LEU  49           HG       LEU  49  -5.151   5.156   4.038
  392   1HD1  LEU  49          1HD1      LEU  49  -6.107   3.699   6.278
  393   2HD1  LEU  49          3HD1      LEU  49  -5.160   2.566   5.314
  394   3HD1  LEU  49          2HD1      LEU  49  -4.431   4.066   5.880
  395   1HD2  LEU  49          2HD2      LEU  49  -6.728   3.101   2.749
  396   2HD2  LEU  49          1HD2      LEU  49  -5.167   3.777   2.270
  397   3HD2  LEU  49          3HD2      LEU  49  -5.236   2.428   3.407
  398    H    VAL  50           H        VAL  50  -4.966   5.796   6.260
  399    HA   VAL  50           HA       VAL  50  -4.004   8.248   4.836
  400    HB   VAL  50           HB       VAL  50  -3.818   7.457   7.695
  401   1HG1  VAL  50          3HG1      VAL  50  -1.425   8.250   6.094
  402   2HG1  VAL  50          2HG1      VAL  50  -1.642   9.032   7.658
  403   3HG1  VAL  50          1HG1      VAL  50  -1.523   7.275   7.561
  404   1HG2  VAL  50          3HG2      VAL  50  -3.655  10.065   6.163
  405   2HG2  VAL  50          2HG2      VAL  50  -5.082   9.413   6.970
  406   3HG2  VAL  50          1HG2      VAL  50  -3.691   9.935   7.921
  407    H    LEU  51           H        LEU  51  -2.987   7.155   3.118
  408    HA   LEU  51           HA       LEU  51  -1.238   4.853   3.678
  409   1HB   LEU  51          2HB       LEU  51  -2.580   5.037   1.559
  410   2HB   LEU  51          1HB       LEU  51  -1.575   6.421   1.109
  411    HG   LEU  51           HG       LEU  51   0.428   4.810   1.490
  412   1HD1  LEU  51          2HD1      LEU  51  -1.919   3.014   1.625
  413   2HD1  LEU  51          1HD1      LEU  51  -0.530   2.444   0.690
  414   3HD1  LEU  51          3HD1      LEU  51  -0.339   2.861   2.399
  415   1HD2  LEU  51          3HD2      LEU  51  -1.501   4.459  -0.800
  416   2HD2  LEU  51          2HD2      LEU  51  -0.182   5.631  -0.706
  417   3HD2  LEU  51          1HD2      LEU  51   0.172   3.906  -0.809
  418    H    GLU  52           H        GLU  52  -0.030   6.507   5.216
  419    HA   GLU  52           HA       GLU  52   1.659   8.497   4.032
  420   1HB   GLU  52          2HB       GLU  52   1.329   8.629   6.385
  421   2HB   GLU  52          1HB       GLU  52   1.796   6.944   6.621
  422   1HG   GLU  52          2HG       GLU  52   3.968   7.510   6.809
  423   2HG   GLU  52          1HG       GLU  52   3.915   8.405   5.289
  424    H    TRP  53           H        TRP  53   2.551   7.358   2.130
  425    HA   TRP  53           HA       TRP  53   4.199   5.000   2.546
  426   1HB   TRP  53          2HB       TRP  53   2.998   5.857   0.353
  427   2HB   TRP  53          1HB       TRP  53   4.517   6.736   0.122
  428    HD1  TRP  53           HD1      TRP  53   6.769   4.985   0.707
  429    HE1  TRP  53           HE1      TRP  53   7.132   2.632  -0.281
  430    HE3  TRP  53           HE3      TRP  53   2.005   3.893  -0.736
  431    HZ2  TRP  53           HZ2      TRP  53   5.593   0.562  -1.514
  432    HZ3  TRP  53           HZ3      TRP  53   1.474   1.735  -1.822
  433    HH2  TRP  53           HH2      TRP  53   3.267   0.060  -2.209
  434    H    ARG  54           H        ARG  54   6.021   5.288   3.788
  435    HA   ARG  54           HA       ARG  54   7.354   7.664   4.340
  436   1HB   ARG  54          2HB       ARG  54   8.271   4.809   4.294
  437   2HB   ARG  54          1HB       ARG  54   9.425   6.095   4.640
  438   1HG   ARG  54          2HG       ARG  54   6.795   5.745   6.107
  439   2HG   ARG  54          1HG       ARG  54   8.344   5.145   6.701
  440   1HD   ARG  54          2HD       ARG  54   9.235   7.487   6.567
  441   2HD   ARG  54          1HD       ARG  54   7.612   8.035   6.150
  442    HE   ARG  54           HE       ARG  54   7.164   6.673   8.476
  443   1HH1  ARG  54          1HH2      ARG  54   9.802   6.946   9.548
  444   2HH1  ARG  54          2HH2