*HEADER    ELECTRON TRANSPORT                      22-JAN-00   1DVV              
*TITLE     SOLUTION STRUCTURE OF THE QUINTUPLE MUTANT OF CYTOCHROME C-           
*TITLE    2 551 FROM PSEUDOMONAS AERUGINOSA                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME C551;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA;                         
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR: PKK223-3                                   
*KEYWDS    CYTOCHROME C, STABILITY                                               
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.HASEGAWA, S.UCHIYAMA, Y.TANIMOTO, M.MIZUTANI, Y.KOBAYASHI,          
*AUTHOR   2 Y.SAMBONGI, Y.IGARASHI                                               
*REVDAT   1   29-NOV-00 1DVV    0                                                

assign (resid    1 and name HA   )(resid    1 and name HB#  ) 3.3 2.1 0.6
assign (resid    1 and name HA   )(resid    1 and name HG#  ) 3.3 2.1 0.6
assign (resid    1 and name HA   )(resid    2 and name HN   ) 2.9 1.1 0.0
assign (resid    1 and name HB#  )(resid    2 and name HN   ) 3.5 2.7 1.0
assign (resid    1 and name HG#  )(resid    1 and name HB#  ) 2.7 2.1 1.2
assign (resid    1 and name HG#  )(resid    2 and name HN   ) 5.0 4.2 1.0
assign (resid    1 and name HG#  )(resid    5 and name HB   ) 5.0 4.2 1.0
assign (resid    1 and name HG#  )(resid    5 and name HG2# ) 6.5 6.7 2.0
assign (resid    1 and name HG#  )(resid    6 and name HD*  ) 6.0 7.6 3.4
assign (resid    2 and name HA   )(resid    2 and name HN   ) 2.9 1.1 0.0
assign (resid    2 and name HA   )(resid    3 and name HD#  ) 2.7 1.9 1.0
assign (resid    2 and name HB#  )(resid    2 and name HA   ) 5.0 3.8 0.6
assign (resid    2 and name HB#  )(resid    2 and name HN   ) 2.9 1.7 0.6
assign (resid    2 and name HB#  )(resid    3 and name HD#  ) 5.0 5.2 2.0
assign (resid    2 and name HB#  )(resid    4 and name HN   ) 5.0 4.2 1.0
assign (resid    2 and name HB#  )(resid    5 and name HB   ) 5.0 4.2 1.0
assign (resid    2 and name HB#  )(resid    5 and name HG1# ) 5.5 5.7 2.0
assign (resid    2 and name HB#  )(resid    5 and name HG2# ) 6.5 6.7 2.0
assign (resid    2 and name HB#  )(resid    5 and name HN   ) 5.0 4.2 1.0
assign (resid    2 and name HN   )(resid    5 and name HB   ) 3.5 1.7 0.0
assign (resid    2 and name HN   )(resid    5 and name HG1# ) 5.5 4.7 1.0
assign (resid    2 and name HN   )(resid    5 and name HG2# ) 5.5 4.7 1.0
assign (resid    3 and name HA   )(resid    3 and name HB#  ) 2.7 1.5 0.6
assign (resid    3 and name HA   )(resid    4 and name HN   ) 3.5 1.7 0.0
assign (resid    3 and name HA   )(resid    5 and name HN   ) 5.0 3.2 0.0
assign (resid    3 and name HA   )(resid    6 and name HB#  ) 3.3 2.5 1.0
assign (resid    3 and name HA   )(resid    6 and name HD*  ) 5.0 5.6 2.4
assign (resid    3 and name HA   )(resid    6 and name HG   ) 2.7 0.9 0.0
assign (resid    3 and name HA   )(resid    6 and name HN   ) 3.5 1.7 0.0
assign (resid    3 and name HA   )(resid    7 and name HN   ) 5.0 3.2 0.0
assign (resid    3 and name HA   )(resid   73 and name HG2# ) 5.5 4.7 1.0
assign (resid    3 and name HB#  )(resid    3 and name HD#  ) 5.0 4.4 1.2
assign (resid    3 and name HG#  )(resid    3 and name HB#  ) 2.7 2.1 1.2
assign (resid    3 and name HB#  )(resid    4 and name HA   ) 5.0 4.2 1.0
assign (resid    3 and name HB#  )(resid    4 and name HN   ) 3.5 2.7 1.0
assign (resid    3 and name HB#  )(resid    6 and name HD*  ) 5.0 6.6 3.4
assign (resid    3 and name HB#  )(resid    7 and name HN   ) 5.0 4.2 1.0
assign (resid    3 and name HB#  )(resid   73 and name HA   ) 5.0 4.2 1.0
assign (resid    3 and name HB#  )(resid   73 and name HG2# ) 5.5 5.7 2.0
assign (resid    3 and name HB#  )(resid   74 and name HA   ) 5.0 4.2 1.0
assign (resid    3 and name HB#  )(resid   74 and name HD*  ) 6.0 7.6 3.4
assign (resid    3 and name HB#  )(resid   74 and name HN   ) 5.0 4.2 1.0
assign (resid    3 and name HB#  )(resid   77 and name HB1  ) 3.3 2.5 1.0
assign (resid    3 and name HB#  )(resid   77 and name HB2  ) 5.0 4.2 1.0
assign (resid    3 and name HB#  )(resid   77 and name HD1  ) 5.0 4.2 1.0
assign (resid    3 and name HB#  )(resid   77 and name HE1  ) 5.0 4.2 1.0
assign (resid    3 and name HB#  )(resid   77 and name HN   ) 5.0 4.2 1.0
assign (resid    3 and name HD#  )(resid    3 and name HG#  ) 3.3 2.7 1.2
assign (resid    3 and name HD#  )(resid    4 and name HN   ) 3.5 2.7 1.0
assign (resid    3 and name HG#  )(resid    3 and name HA   ) 5.0 3.8 0.6
assign (resid    3 and name HG#  )(resid    4 and name HN   ) 3.5 2.7 1.0
assign (resid    3 and name HG#  )(resid   77 and name HB2  ) 5.0 4.2 1.0
assign (resid    3 and name HG#  )(resid   77 and name HD1  ) 5.0 4.2 1.0
assign (resid    4 and name HA   )(resid    4 and name HB#  ) 5.5 4.3 0.6
assign (resid    4 and name HA   )(resid    4 and name HG#  ) 3.3 2.1 0.6
assign (resid    4 and name HA   )(resid    4 and name HN   ) 3.5 1.7 0.0
assign (resid    4 and name HA   )(resid    5 and name HN   ) 5.0 3.2 0.0
assign (resid    4 and name HA   )(resid    7 and name HB#  ) 5.5 4.7 1.0
assign (resid    4 and name HA   )(resid    7 and name HN   ) 3.5 1.7 0.0
assign (resid    4 and name HA   )(resid   77 and name HE1  ) 5.0 3.2 0.0
assign (resid    4 and name HA   )(resid   77 and name HH2  ) 5.0 3.2 0.0
assign (resid    4 and name HA   )(resid   77 and name HZ2  ) 5.0 3.2 0.0
assign (resid    4 and name HB#  )(resid    4 and name HN   ) 4.0 2.8 0.6
assign (resid    4 and name HB#  )(resid    5 and name HN   ) 5.5 4.7 1.0
assign (resid    4 and name HB#  )(resid   77 and name HE1  ) 5.5 4.7 1.0
assign (resid    4 and name HG#  )(resid    4 and name HN   ) 5.0 3.8 0.6
assign (resid    4 and name HG#  )(resid    7 and name HB#  ) 6.5 6.7 2.0
assign (resid    4 and name HG#  )(resid   77 and name HE1  ) 5.0 4.2 1.0
assign (resid    4 and name HN   )(resid    5 and name HN   ) 2.9 1.1 0.0
assign (resid    4 and name HN   )(resid   77 and name HE1  ) 5.0 3.2 0.0
assign (resid    5 and name HA   )(resid    5 and name HB   ) 3.3 1.5 0.0
assign (resid    5 and name HA   )(resid    5 and name HG1# ) 3.8 2.6 0.6
assign (resid    5 and name HA   )(resid    5 and name HN   ) 2.9 1.1 0.0
assign (resid    5 and name HA   )(resid    6 and name HN   ) 3.5 1.7 0.0
assign (resid    5 and name HA   )(resid    8 and name HB#  ) 3.3 2.5 1.0
assign (resid    5 and name HA   )(resid    8 and name HD#  ) 6.5 5.7 1.0
assign (resid    5 and name HA   )(resid    8 and name HN   ) 5.0 3.2 0.0
assign (resid    5 and name HB   )(resid    5 and name HG1# ) 3.8 2.6 0.6
assign (resid    5 and name HB   )(resid    5 and name HN   ) 2.9 1.1 0.0
assign (resid    5 and name HB   )(resid    6 and name HD*  ) 5.0 5.6 2.4
assign (resid    5 and name HB   )(resid    6 and name HN   ) 3.5 1.7 0.0
assign (resid    5 and name HG1# )(resid    5 and name HN   ) 4.0 2.8 0.6
assign (resid    5 and name HG1# )(resid    6 and name HG   ) 6.5 5.7 1.0
assign (resid    5 and name HG1# )(resid    6 and name HN   ) 5.5 4.7 1.0
assign (resid    5 and name HG2# )(resid    5 and name HA   ) 5.5 4.3 0.6
assign (resid    5 and name HG2# )(resid    5 and name HB   ) 3.8 2.6 0.6
assign (resid    5 and name HG2# )(resid    5 and name HN   ) 4.0 2.8 0.6
assign (resid    5 and name HG2# )(resid    6 and name HA   ) 6.5 5.7 1.0
assign (resid    5 and name HG2# )(resid    6 and name HN   ) 5.5 4.7 1.0
assign (resid    5 and name HG2# )(resid    9 and name HD22 ) 5.5 4.7 1.0
assign (resid    5 and name HN   )(resid    6 and name HN   ) 2.9 1.1 0.0
assign (resid    5 and name HN   )(resid    7 and name HN   ) 5.0 3.2 0.0
assign (resid    6 and name HA   )(resid    6 and name HB#  ) 2.7 1.5 0.6
assign (resid    6 and name HA   )(resid    6 and name HD*  ) 3.3 3.5 2.0
assign (resid    6 and name HA   )(resid    6 and name HN   ) 2.9 1.1 0.0
assign (resid    6 and name HA   )(resid    7 and name HN   ) 3.5 1.7 0.0
assign (resid    6 and name HA   )(resid    9 and name HB#  ) 3.3 2.5 1.0
assign (resid    6 and name HA   )(resid    9 and name HD22 ) 5.0 3.2 0.0
assign (resid    6 and name HA   )(resid    9 and name HN   ) 3.5 1.7 0.0
assign (resid    6 and name HA   )(resid   10 and name HG#  ) 5.0 4.2 1.0
assign (resid    6 and name HA   )(resid   10 and name HN   ) 5.0 3.2 0.0
assign (resid    6 and name HB#  )(resid    6 and name HN   ) 2.9 1.7 0.6
assign (resid    6 and name HB#  )(resid    7 and name HN   ) 2.9 2.1 1.0
assign (resid    6 and name HB#  )(resid   10 and name HE#  ) 3.3 3.5 2.0
assign (resid    6 and name HB#  )(resid   74 and name HD*  ) 3.3 4.9 3.4
assign (resid    6 and name HD*  )(resid    6 and name HB#  ) 3.3 4.1 2.6
assign (resid    6 and name HD*  )(resid    6 and name HG   ) 5.0 5.2 2.0
assign (resid    6 and name HD*  )(resid    6 and name HN   ) 5.0 5.2 2.0
assign (resid    6 and name HD*  )(resid   10 and name HB2  ) 5.0 5.6 2.4
assign (resid    6 and name HD*  )(resid   10 and name HE#  ) 5.0 6.6 3.4
assign (resid    6 and name HD*  )(resid   10 and name HG#  ) 6.0 7.6 3.4
assign (resid    6 and name HD*  )(resid   70 and name HB#  ) 6.0 7.6 3.4
assign (resid    6 and name HD*  )(resid   70 and name HG#  ) 6.0 7.6 3.4
assign (resid    6 and name HD*  )(resid   73 and name HB   ) 5.0 5.6 2.4
assign (resid    6 and name HD*  )(resid   73 and name HG2# ) 5.5 7.1 3.4
assign (resid    6 and name HD*  )(resid   74 and name HB1  ) 5.0 5.6 2.4
assign (resid    6 and name HD*  )(resid   74 and name HD*  ) 6.0 9.0 4.8
assign (resid    6 and name HD*  )(resid   74 and name HG   ) 5.0 5.6 2.4
assign (resid    6 and name HN   )(resid    7 and name HB#  ) 5.5 4.7 1.0
assign (resid    6 and name HN   )(resid    7 and name HN   ) 2.9 1.1 0.0
assign (resid    7 and name HA   )(resid    7 and name HB#  ) 3.8 2.6 0.6
assign (resid    7 and name HA   )(resid    7 and name HN   ) 2.9 1.1 0.0
assign (resid    7 and name HA   )(resid   10 and name HB2  ) 5.0 3.2 0.0
assign (resid    7 and name HA   )(resid   10 and name HG#  ) 5.0 4.2 1.0
assign (resid    7 and name HA   )(resid   10 and name HN   ) 5.0 3.2 0.0
assign (resid    7 and name HA   )(resid   12 and name HB2  ) 3.3 1.5 0.0
assign (resid    7 and name HA   )(resid   13 and name HN   ) 5.0 3.2 0.0
assign (resid    7 and name HA   )(resid   74 and name HD*  ) 3.3 3.9 2.4
assign (resid    7 and name HB#  )(resid    7 and name HN   ) 3.4 2.2 0.6
assign (resid    7 and name HB#  )(resid    8 and name HN   ) 5.5 4.7 1.0
assign (resid    7 and name HB#  )(resid   12 and name HB1  ) 6.5 5.7 1.0
assign (resid    7 and name HB#  )(resid   12 and name HB2  ) 5.5 4.7 1.0
assign (resid    7 and name HB#  )(resid   13 and name HE#  ) 7.0 7.2 2.0
assign (resid    7 and name HB#  )(resid   13 and name HG#  ) 6.5 6.7 2.0
assign (resid    7 and name HB#  )(resid   13 and name HN   ) 5.5 4.7 1.0
assign (resid    7 and name HB#  )(resid   27 and name HD#  ) 5.5 7.1 3.4
assign (resid    7 and name HB#  )(resid   74 and name HD*  ) 5.5 7.1 3.4
assign (resid    7 and name HB#  )(resid   77 and name HH2  ) 5.5 4.7 1.0
assign (resid    7 and name HB#  )(resid   77 and name HZ3  ) 5.5 4.7 1.0
assign (resid    7 and name HN   )(resid    8 and name HN   ) 2.9 1.1 0.0
assign (resid    7 and name HN   )(resid    9 and name HN   ) 5.0 3.2 0.0
assign (resid    7 and name HN   )(resid   74 and name HD*  ) 5.0 5.6 2.4
assign (resid    8 and name HA   )(resid    8 and name HB#  ) 3.3 2.1 0.6
assign (resid    8 and name HA   )(resid    8 and name HG#  ) 5.0 3.8 0.6
assign (resid    8 and name HA   )(resid   11 and name HN   ) 3.5 1.7 0.0
assign (resid    8 and name HA   )(resid   13 and name HB1  ) 5.0 3.2 0.0
assign (resid    8 and name HA   )(resid   13 and name HB2  ) 5.0 3.2 0.0
assign (resid    8 and name HA   )(resid   13 and name HG#  ) 3.3 2.5 1.0
assign (resid    8 and name HA   )(resid   13 and name HN   ) 3.5 1.7 0.0
assign (resid    8 and name HG#  )(resid    8 and name HB#  ) 3.3 2.7 1.2
assign (resid    8 and name HB#  )(resid    8 and name HN   ) 3.5 2.3 0.6
assign (resid    8 and name HB#  )(resid    9 and name HN   ) 3.5 2.7 1.0
assign (resid    8 and name HG#  )(resid    8 and name HD#  ) 3.8 3.2 1.2
assign (resid    8 and name HE#  )(resid    8 and name HG#  ) 5.5 4.9 1.2
assign (resid    8 and name HG#  )(resid    8 and name HN   ) 5.0 3.8 0.6
assign (resid    8 and name HG#  )(resid   13 and name HG#  ) 5.0 5.2 2.0
assign (resid    8 and name HN   )(resid    9 and name HN   ) 2.9 1.1 0.0
assign (resid    8 and name HN   )(resid   10 and name HN   ) 5.0 3.2 0.0
assign (resid    9 and name HA   )(resid    9 and name HB#  ) 3.3 2.1 0.6
assign (resid    9 and name HA   )(resid    9 and name HN   ) 3.5 1.7 0.0
assign (resid    9 and name HB#  )(resid    9 and name HN   ) 2.9 1.7 0.6
assign (resid    9 and name HB#  )(resid   10 and name HN   ) 5.0 4.2 1.0
assign (resid    9 and name HD21 )(resid    9 and name HD22 ) 2.7 0.9 0.0
assign (resid    9 and name HD22 )(resid    9 and name HN   ) 2.9 1.1 0.0
assign (resid    9 and name HN   )(resid   10 and name HN   ) 2.9 1.1 0.0
assign (resid   10 and name HB1  )(resid   10 and name HA   ) 5.0 3.2 0.0
assign (resid   10 and name HB1  )(resid   10 and name HB2  ) 2.7 0.9 0.0
assign (resid   10 and name HB1  )(resid   10 and name HN   ) 5.0 3.2 0.0
assign (resid   10 and name HB1  )(resid   66 and name HG1# ) 6.5 5.7 1.0
assign (resid   10 and name HB1  )(resid   83 and name H2G# ) 5.5 4.7 1.0
assign (resid   10 and name HB2  )(resid   10 and name HA   ) 5.0 3.2 0.0
assign (resid   10 and name HB2  )(resid   10 and name HG#  ) 5.0 3.8 0.6
assign (resid   10 and name HB2  )(resid   10 and name HN   ) 3.5 1.7 0.0
assign (resid   10 and name HB2  )(resid   74 and name HD*  ) 6.0 6.6 2.4
assign (resid   10 and name HB2  )(resid   83 and name H2B  ) 5.0 3.2 0.0
assign (resid   10 and name HB2  )(resid   83 and name H2G# ) 5.5 4.7 1.0
assign (resid   10 and name HD#  )(resid   10 and name HA   ) 3.3 2.1 0.6
assign (resid   10 and name HD#  )(resid   10 and name HB1  ) 3.3 2.1 0.6
assign (resid   10 and name HD#  )(resid   10 and name HE#  ) 3.3 2.7 1.2
assign (resid   10 and name HG#  )(resid   10 and name HD#  ) 3.3 2.7 1.2
assign (resid   10 and name HD#  )(resid   10 and name HN   ) 3.5 2.3 0.6
assign (resid   10 and name HD#  )(resid   66 and name HA   ) 3.3 2.5 1.0
assign (resid   10 and name HD#  )(resid   66 and name HG1# ) 5.5 5.7 2.0
assign (resid   10 and name HE#  )(resid   10 and name HG#  ) 3.3 2.7 1.2
assign (resid   10 and name HE#  )(resid   66 and name HA   ) 3.3 2.5 1.0
assign (resid   10 and name HE#  )(resid   66 and name HG1# ) 5.5 5.7 2.0
assign (resid   10 and name HE#  )(resid   70 and name HB#  ) 5.0 5.2 2.0
assign (resid   10 and name HG#  )(resid   10 and name HB1  ) 5.0 3.8 0.6
assign (resid   10 and name HG#  )(resid   10 and name HN   ) 3.5 2.3 0.6
assign (resid   10 and name HG#  )(resid   66 and name HG1# ) 6.5 6.7 2.0
assign (resid   10 and name HG#  )(resid   74 and name HD*  ) 5.0 6.6 3.4
assign (resid   10 and name HN   )(resid   11 and name HN   ) 2.9 1.1 0.0
assign (resid   10 and name HN   )(resid   12 and name HN   ) 3.5 1.7 0.0
assign (resid   11 and name HA#  )(resid   11 and name HN   ) 2.9 1.7 0.6
assign (resid   11 and name HA#  )(resid   12 and name HN   ) 2.9 2.1 1.0
assign (resid   11 and name HN   )(resid   12 and name HN   ) 2.9 1.1 0.0
assign (resid   12 and name HA   )(resid   12 and name HB1  ) 3.3 1.5 0.0
assign (resid   12 and name HB2  )(resid   12 and name HA   ) 3.3 1.5 0.0
assign (resid   12 and name HA   )(resid   12 and name HN   ) 3.5 1.7 0.0
assign (resid   12 and name HA   )(resid   13 and name HN   ) 5.0 3.2 0.0
assign (resid   12 and name HA   )(resid   14 and name HN   ) 5.0 3.2 0.0
assign (resid   12 and name HA   )(resid   15 and name HB2  ) 5.0 3.2 0.0
assign (resid   12 and name HA   )(resid   15 and name HN   ) 5.0 3.2 0.0
assign (resid   12 and name HA   )(resid   16 and name HD2  ) 5.0 3.2 0.0
assign (resid   12 and name HA   )(resid   83 and name H2B  ) 3.3 1.5 0.0
assign (resid   12 and name HA   )(resid   83 and name H2G# ) 5.5 4.7 1.0
assign (resid   12 and name HA   )(resid   83 and name H3M# ) 5.5 4.7 1.0
assign (resid   12 and name HA   )(resid   83 and name HMA  ) 2.7 0.9 0.0
assign (resid   12 and name HB1  )(resid   12 and name HB2  ) 2.7 0.9 0.0
assign (resid   12 and name HB1  )(resid   12 and name HN   ) 3.5 1.7 0.0
assign (resid   12 and name HB1  )(resid   13 and name HN   ) 5.0 3.2 0.0
assign (resid   12 and name HB1  )(resid   16 and name HD2  ) 5.0 3.2 0.0
assign (resid   12 and name HB1  )(resid   83 and name H2B  ) 5.0 3.2 0.0
assign (resid   12 and name HB1  )(resid   83 and name H2G# ) 6.5 5.7 1.0
assign (resid   12 and name HB1  )(resid   83 and name HMA  ) 5.0 3.2 0.0
assign (resid   12 and name HB2  )(resid   12 and name HN   ) 3.5 1.7 0.0
assign (resid   12 and name HB2  )(resid   13 and name HN   ) 3.5 1.7 0.0
assign (resid   12 and name HB2  )(resid   74 and name HD*  ) 6.0 6.6 2.4
assign (resid   12 and name HB2  )(resid   83 and name H2B  ) 5.0 3.2 0.0
assign (resid   12 and name HB2  )(resid   83 and name H2G# ) 6.5 5.7 1.0
assign (resid   12 and name HB2  )(resid   83 and name HMA  ) 5.0 3.2 0.0
assign (resid   12 and name HN   )(resid   13 and name HN   ) 2.9 1.1 0.0
assign (resid   12 and name HN   )(resid   83 and name H2B  ) 3.5 1.7 0.0
assign (resid   12 and name HN   )(resid   83 and name HMA  ) 5.0 3.2 0.0
assign (resid   13 and name HA   )(resid   13 and name HN   ) 3.5 1.7 0.0
assign (resid   13 and name HA   )(resid   14 and name HN   ) 5.0 3.2 0.0
assign (resid   13 and name HA   )(resid   15 and name HN   ) 5.0 3.2 0.0
assign (resid   13 and name HA   )(resid   16 and name HN   ) 3.5 1.7 0.0
assign (resid   13 and name HA   )(resid   77 and name HH2  ) 3.3 1.5 0.0
assign (resid   13 and name HB1  )(resid   13 and name HA   ) 3.3 1.5 0.0
assign (resid   13 and name HB1  )(resid   13 and name HB2  ) 2.7 0.9 0.0
assign (resid   13 and name HB1  )(resid   13 and name HG#  ) 2.7 1.5 0.6
assign (resid   13 and name HB1  )(resid   13 and name HN   ) 3.5 1.7 0.0
assign (resid   13 and name HB2  )(resid   13 and name HA   ) 5.0 3.2 0.0
assign (resid   13 and name HG#  )(resid   13 and name HB2  ) 2.7 1.5 0.6
assign (resid   13 and name HB2  )(resid   13 and name HN   ) 3.5 1.7 0.0
assign (resid   13 and name HB2  )(resid   14 and name HN   ) 5.0 3.2 0.0
assign (resid   13 and name HE#  )(resid   13 and name HA   ) 5.5 4.3 0.6
assign (resid   13 and name HE#  )(resid   13 and name HB1  ) 5.5 4.3 0.6
assign (resid   13 and name HE#  )(resid   13 and name HG#  ) 5.5 4.9 1.2
assign (resid   13 and name HE#  )(resid   16 and name HB2  ) 5.5 4.7 1.0
assign (resid   13 and name HE#  )(resid   17 and name HA   ) 3.8 3.0 1.0
assign (resid   13 and name HE#  )(resid   18 and name HD1# ) 7.0 7.2 2.0
assign (resid   13 and name HE#  )(resid   18 and name HG1# ) 6.5 6.7 2.0
assign (resid   13 and name HE#  )(resid   18 and name HN   ) 5.5 4.7 1.0
assign (resid   13 and name HE#  )(resid   27 and name HD#  ) 5.5 7.1 3.4
assign (resid   13 and name HE#  )(resid   77 and name HZ2  ) 5.5 4.7 1.0
assign (resid   13 and name HG#  )(resid   13 and name HA   ) 3.3 2.1 0.6
assign (resid   13 and name HG#  )(resid   13 and name HN   ) 3.5 2.3 0.6
assign (resid   13 and name HN   )(resid   14 and name HN   ) 2.9 1.1 0.0
assign (resid   13 and name HN   )(resid   15 and name HN   ) 5.0 3.2 0.0
assign (resid   13 and name HN   )(resid   16 and name HN   ) 5.0 3.2 0.0
assign (resid   14 and name HA   )(resid   14 and name HB#  ) 3.8 2.6 0.6
assign (resid   14 and name HA   )(resid   14 and name HN   ) 2.9 1.1 0.0
assign (resid   14 and name HA   )(resid   15 and name HN   ) 3.5 1.7 0.0
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assign (resid   33 and name HB2  )(resid   33 and name HN   ) 3.5 1.7 0.0
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assign (resid   72 and name HA   )(resid   72 and name HN   ) 2.9 1.1 0.0
assign (resid   72 and name HA   )(resid   73 and name HN   ) 3.5 1.7 0.0
assign (resid   72 and name HA   )(resid   75 and name HB#  ) 5.5 4.7 1.0
assign (resid   72 and name HA   )(resid   75 and name HN   ) 3.5 1.7 0.0
assign (resid   72 and name HB#  )(resid   72 and name HG#  ) 3.8 3.2 1.2
assign (resid   72 and name HB#  )(resid   72 and name HN   ) 4.0 2.8 0.6
assign (resid   72 and name HB#  )(resid   73 and name HA   ) 6.5 5.7 1.0
assign (resid   72 and name HB#  )(resid   73 and name HN   ) 4.0 3.2 1.0
assign (resid   72 and name HE21 )(resid   72 and name HE22 ) 2.7 0.9 0.0
assign (resid   72 and name HG#  )(resid   72 and name HE21 ) 5.0 3.8 0.6
assign (resid   72 and name HG#  )(resid   72 and name HN   ) 3.5 2.3 0.6
assign (resid   72 and name HG#  )(resid   75 and name HB#  ) 6.5 6.7 2.0
assign (resid   72 and name HG#  )(resid   75 and name HN   ) 5.0 4.2 1.0
assign (resid   72 and name HN   )(resid   73 and name HN   ) 2.9 1.1 0.0
assign (resid   72 and name HN   )(resid   74 and name HN   ) 3.5 1.7 0.0
assign (resid   73 and name HA   )(resid   73 and name HB   ) 3.3 1.5 0.0
assign (resid   73 and name HA   )(resid   73 and name HG2# ) 3.8 2.6 0.6
assign (resid   73 and name HA   )(resid   73 and name HN   ) 2.9 1.1 0.0
assign (resid   73 and name HA   )(resid   74 and name HN   ) 5.0 3.2 0.0
assign (resid   73 and name HA   )(resid   76 and name HB#  ) 6.5 5.7 1.0
assign (resid   73 and name HA   )(resid   76 and name HD#  ) 6.5 5.7 1.0
assign (resid   73 and name HA   )(resid   76 and name HE#  ) 6.5 5.7 1.0
assign (resid   73 and name HA   )(resid   76 and name HG#  ) 5.0 4.2 1.0
assign (resid   73 and name HA   )(resid   76 and name HN   ) 3.5 1.7 0.0
assign (resid   73 and name HB   )(resid   73 and name HG2# ) 3.8 2.6 0.6
assign (resid   73 and name HB   )(resid   73 and name HN   ) 2.9 1.1 0.0
assign (resid   73 and name HB   )(resid   74 and name HN   ) 2.9 1.1 0.0
assign (resid   73 and name HG2# )(resid   73 and name HN   ) 5.5 4.3 0.6
assign (resid   73 and name HG2# )(resid   74 and name HN   ) 5.5 4.7 1.0
assign (resid   73 and name HN   )(resid   74 and name HN   ) 2.9 1.1 0.0
assign (resid   74 and name HA   )(resid   74 and name HB1  ) 3.3 1.5 0.0
assign (resid   74 and name HA   )(resid   74 and name HB2  ) 3.3 1.5 0.0
assign (resid   74 and name HA   )(resid   74 and name HD*  ) 3.3 3.5 2.0
assign (resid   74 and name HA   )(resid   74 and name HG   ) 3.3 1.5 0.0
assign (resid   74 and name HA   )(resid   74 and name HN   ) 2.9 1.1 0.0
assign (resid   74 and name HA   )(resid   75 and name HN   ) 5.0 3.2 0.0
assign (resid   74 and name HA   )(resid   77 and name HB1  ) 5.0 3.2 0.0
assign (resid   74 and name HA   )(resid   77 and name HE3  ) 3.3 1.5 0.0
assign (resid   74 and name HA   )(resid   77 and name HN   ) 3.5 1.7 0.0
assign (resid   74 and name HA   )(resid   78 and name HD1# ) 6.5 5.7 1.0
assign (resid   74 and name HB1  )(resid   74 and name HB2  ) 2.7 0.9 0.0
assign (resid   74 and name HD*  )(resid   74 and name HB1  ) 3.3 3.5 2.0
assign (resid   74 and name HB1  )(resid   74 and name HG   ) 5.0 3.2 0.0
assign (resid   74 and name HB1  )(resid   74 and name HN   ) 3.5 1.7 0.0
assign (resid   74 and name HB1  )(resid   83 and name H1M# ) 5.5 4.7 1.0
assign (resid   74 and name HB2  )(resid   74 and name HD*  ) 5.0 5.2 2.0
assign (resid   74 and name HB2  )(resid   74 and name HG   ) 5.0 3.2 0.0
assign (resid   74 and name HB2  )(resid   74 and name HN   ) 2.9 1.1 0.0
assign (resid   74 and name HB2  )(resid   75 and name HN   ) 3.5 1.7 0.0
assign (resid   74 and name HB2  )(resid   78 and name HD1# ) 6.5 5.7 1.0
assign (resid   74 and name HB2  )(resid   83 and name H1M# ) 6.5 5.7 1.0
assign (resid   74 and name HB2  )(resid   83 and name HMD  ) 5.0 3.2 0.0
assign (resid   74 and name HD*  )(resid   74 and name HG   ) 3.3 3.5 2.0
assign (resid   74 and name HD*  )(resid   74 and name HN   ) 5.0 5.2 2.0
assign (resid   74 and name HD*  )(resid   77 and name HB1  ) 5.0 5.6 2.4
assign (resid   74 and name HD*  )(resid   77 and name HZ3  ) 6.0 6.6 2.4
assign (resid   74 and name HD*  )(resid   78 and name HG1# ) 5.0 6.6 3.4
assign (resid   74 and name HD*  )(resid   83 and name H1M# ) 6.5 8.1 3.4
assign (resid   74 and name HD*  )(resid   83 and name H2B  ) 5.0 5.6 2.4
assign (resid   74 and name HD*  )(resid   83 and name H2G# ) 5.5 7.1 3.4
assign (resid   74 and name HD*  )(resid   83 and name HMD  ) 5.0 5.6 2.4
assign (resid   74 and name HG   )(resid   74 and name HN   ) 2.9 1.1 0.0
assign (resid   74 and name HN   )(resid   75 and name HN   ) 2.9 1.1 0.0
assign (resid   74 and name HN   )(resid   77 and name HB2  ) 5.0 3.2 0.0
assign (resid   75 and name HA   )(resid   75 and name HB#  ) 3.8 2.6 0.6
assign (resid   75 and name HA   )(resid   75 and name HN   ) 2.9 1.1 0.0
assign (resid   75 and name HA   )(resid   78 and name HB   ) 3.3 1.5 0.0
assign (resid   75 and name HA   )(resid   78 and name HD1# ) 5.5 4.7 1.0
assign (resid   75 and name HA   )(resid   78 and name HN   ) 3.5 1.7 0.0
assign (resid   75 and name HA   )(resid   83 and name H8M# ) 5.5 4.7 1.0
assign (resid   75 and name HB#  )(resid   75 and name HN   ) 3.4 2.2 0.6
assign (resid   75 and name HB#  )(resid   76 and name HN   ) 4.0 3.2 1.0
assign (resid   75 and name HN   )(resid   76 and name HN   ) 2.9 1.1 0.0
assign (resid   75 and name HN   )(resid   77 and name HN   ) 5.0 3.2 0.0
assign (resid   76 and name HA   )(resid   76 and name HB#  ) 3.8 2.6 0.6
assign (resid   76 and name HA   )(resid   76 and name HG#  ) 3.3 2.1 0.6
assign (resid   76 and name HA   )(resid   76 and name HN   ) 2.9 1.1 0.0
assign (resid   76 and name HA   )(resid   77 and name HN   ) 5.0 3.2 0.0
assign (resid   76 and name HA   )(resid   79 and name HB#  ) 3.3 2.5 1.0
assign (resid   76 and name HA   )(resid   79 and name HD*  ) 5.0 5.6 2.4
assign (resid   76 and name HA   )(resid   79 and name HN   ) 5.0 3.2 0.0
assign (resid   76 and name HB#  )(resid   76 and name HE#  ) 7.0 6.4 1.2
assign (resid   76 and name HB#  )(resid   76 and name HN   ) 4.0 2.8 0.6
assign (resid   76 and name HB#  )(resid   77 and name HN   ) 4.0 3.2 1.0
assign (resid   76 and name HD#  )(resid   76 and name HA   ) 6.5 5.3 0.6
assign (resid   76 and name HD#  )(resid   76 and name HB#  ) 7.0 6.4 1.2
assign (resid   76 and name HD#  )(resid   76 and name HE#  ) 7.0 6.4 1.2
assign (resid   76 and name HD#  )(resid   76 and name HG#  ) 3.8 3.2 1.2
assign (resid   76 and name HE#  )(resid   76 and name HG#  ) 6.5 5.9 1.2
assign (resid   76 and name HG#  )(resid   76 and name HB#  ) 5.5 4.9 1.2
assign (resid   76 and name HG#  )(resid   76 and name HN   ) 2.9 1.7 0.6
assign (resid   76 and name HN   )(resid   77 and name HN   ) 2.9 1.1 0.0
assign (resid   77 and name HA   )(resid   77 and name HB1  ) 3.3 1.5 0.0
assign (resid   77 and name HA   )(resid   77 and name HB2  ) 3.3 1.5 0.0
assign (resid   77 and name HA   )(resid   77 and name HE3  ) 5.0 3.2 0.0
assign (resid   77 and name HA   )(resid   80 and name HB#  ) 3.3 2.5 1.0
assign (resid   77 and name HB1  )(resid   77 and name HB2  ) 2.7 0.9 0.0
assign (resid   77 and name HB1  )(resid   77 and name HE3  ) 3.3 1.5 0.0
assign (resid   77 and name HB1  )(resid   77 and name HN   ) 2.9 1.1 0.0
assign (resid   77 and name HB1  )(resid   78 and name HD1# ) 5.5 4.7 1.0
assign (resid   77 and name HB1  )(resid   78 and name HG1# ) 5.0 4.2 1.0
assign (resid   77 and name HB1  )(resid   78 and name HN   ) 3.5 1.7 0.0
assign (resid   77 and name HB2  )(resid   77 and name HD1  ) 5.0 3.2 0.0
assign (resid   77 and name HB2  )(resid   77 and name HE3  ) 5.0 3.2 0.0
assign (resid   77 and name HB2  )(resid   77 and name HN   ) 2.9 1.1 0.0
assign (resid   77 and name HB2  )(resid   78 and name HN   ) 5.0 3.2 0.0
assign (resid   77 and name HD1  )(resid   77 and name HE1  ) 2.7 0.9 0.0
assign (resid   77 and name HD1  )(resid   80 and name HB#  ) 5.0 4.2 1.0
assign (resid   77 and name HD1  )(resid   81 and name HE21 ) 5.0 3.2 0.0
assign (resid   77 and name HE1  )(resid   77 and name HZ2  ) 5.0 3.2 0.0
assign (resid   77 and name HE1  )(resid   81 and name HE21 ) 5.0 3.2 0.0
assign (resid   77 and name HE1  )(resid   81 and name HE22 ) 5.0 3.2 0.0
assign (resid   77 and name HE3  )(resid   77 and name HZ3  ) 3.3 1.5 0.0
assign (resid   77 and name HE3  )(resid   78 and name HG1# ) 5.0 4.2 1.0
assign (resid   77 and name HE3  )(resid   78 and name HN   ) 3.5 1.7 0.0
assign (resid   77 and name HH2  )(resid   77 and name HE1  ) 5.0 3.2 0.0
assign (resid   77 and name HH2  )(resid   77 and name HZ3  ) 2.7 0.9 0.0
assign (resid   77 and name HN   )(resid   77 and name HD1  ) 5.0 3.2 0.0
assign (resid   77 and name HN   )(resid   78 and name HN   ) 2.9 1.1 0.0
assign (resid   77 and name HZ2  )(resid   77 and name HH2  ) 3.3 1.5 0.0
assign (resid   77 and name HZ2  )(resid   77 and name HZ3  ) 5.0 3.2 0.0
assign (resid   77 and name HZ2  )(resid   81 and name HE21 ) 5.0 3.2 0.0
assign (resid   77 and name HZ2  )(resid   81 and name HE22 ) 5.0 3.2 0.0
assign (resid   77 and name HZ3  )(resid   83 and name H1M# ) 5.5 4.7 1.0
assign (resid   78 and name HA   )(resid   78 and name HB   ) 5.0 3.2 0.0
assign (resid   78 and name HA   )(resid   78 and name HD1# ) 6.5 5.3 0.6
assign (resid   78 and name HA   )(resid   78 and name HG1# ) 3.3 2.1 0.6
assign (resid   78 and name HA   )(resid   78 and name HG2# ) 5.5 4.3 0.6
assign (resid   78 and name HA   )(resid   78 and name HN   ) 3.5 1.7 0.0
assign (resid   78 and name HA   )(resid   79 and name HN   ) 5.0 3.2 0.0
assign (resid   78 and name HA   )(resid   81 and name HB#  ) 3.3 2.5 1.0
assign (resid   78 and name HA   )(resid   81 and name HG#  ) 3.3 2.5 1.0
assign (resid   78 and name HA   )(resid   81 and name HN   ) 3.5 1.7 0.0
assign (resid   78 and name HB   )(resid   78 and name HD1# ) 5.5 4.3 0.6
assign (resid   78 and name HB   )(resid   78 and name HG1# ) 5.0 3.8 0.6
assign (resid   78 and name HB   )(resid   78 and name HG2# ) 5.5 4.3 0.6
assign (resid   78 and name HB   )(resid   78 and name HN   ) 2.9 1.1 0.0
assign (resid   78 and name HB   )(resid   79 and name HN   ) 2.9 1.1 0.0
assign (resid   78 and name HB   )(resid   83 and name H8M# ) 6.5 5.7 1.0
assign (resid   78 and name HD1# )(resid   78 and name HG1# ) 3.8 3.2 1.2
assign (resid   78 and name HG2# )(resid   78 and name HD1# ) 6.0 5.4 1.2
assign (resid   78 and name HD1# )(resid   78 and name HN   ) 5.5 4.3 0.6
assign (resid   78 and name HD1# )(resid   83 and name H1M# ) 7.0 7.2 2.0
assign (resid   78 and name HD1# )(resid   83 and name HMD  ) 5.5 4.7 1.0
assign (resid   78 and name HG2# )(resid   78 and name HG1# ) 5.5 4.9 1.2
assign (resid   78 and name HG1# )(resid   78 and name HN   ) 2.9 1.7 0.6
assign (resid   78 and name HG1# )(resid   81 and name HG#  ) 5.0 5.2 2.0
assign (resid   78 and name HG1# )(resid   83 and name HMD  ) 2.7 1.9 1.0
assign (resid   78 and name HG2# )(resid   78 and name HN   ) 5.5 4.3 0.6
assign (resid   78 and name HG2# )(resid   79 and name HA   ) 6.5 5.7 1.0
assign (resid   78 and name HG2# )(resid   79 and name HN   ) 5.5 4.7 1.0
assign (resid   78 and name HG2# )(resid   83 and name H8M# ) 7.0 7.2 2.0
assign (resid   78 and name HG2# )(resid   83 and name HMD  ) 5.5 4.7 1.0
assign (resid   78 and name HN   )(resid   79 and name HN   ) 3.5 1.7 0.0
assign (resid   78 and name HN   )(resid   80 and name HN   ) 5.0 3.2 0.0
assign (resid   79 and name HA   )(resid   79 and name HB#  ) 2.7 1.5 0.6
assign (resid   79 and name HA   )(resid   79 and name HD*  ) 3.3 3.5 2.0
assign (resid   79 and name HA   )(resid   79 and name HG   ) 3.3 1.5 0.0
assign (resid   79 and name HA   )(resid   79 and name HN   ) 3.5 1.7 0.0
assign (resid   79 and name HA   )(resid   80 and name HN   ) 3.5 1.7 0.0
assign (resid   79 and name HA   )(resid   81 and name HN   ) 5.0 3.2 0.0
assign (resid   79 and name HB#  )(resid   79 and name HD*  ) 5.0 5.8 2.6
assign (resid   79 and name HB#  )(resid   79 and name HN   ) 2.9 1.7 0.6
assign (resid   79 and name HB#  )(resid   80 and name HA   ) 5.0 4.2 1.0
assign (resid   79 and name HB#  )(resid   80 and name HN   ) 2.9 2.1 1.0
assign (resid   79 and name HD*  )(resid   79 and name HN   ) 5.0 5.2 2.0
assign (resid   79 and name HG   )(resid   79 and name HB#  ) 3.3 2.1 0.6
assign (resid   79 and name HG   )(resid   79 and name HD*  ) 6.0 6.2 2.0
assign (resid   79 and name HG   )(resid   79 and name HN   ) 3.5 1.7 0.0
assign (resid   79 and name HN   )(resid   80 and name HN   ) 2.9 1.1 0.0
assign (resid   80 and name HA   )(resid   80 and name HN   ) 3.5 1.7 0.0
assign (resid   80 and name HB#  )(resid   80 and name HA   ) 2.7 1.5 0.6
assign (resid   80 and name HB#  )(resid   80 and name HN   ) 3.5 2.3 0.6
assign (resid   80 and name HB#  )(resid   81 and name HG#  ) 5.0 5.2 2.0
assign (resid   81 and name HA   )(resid   81 and name HB#  ) 3.3 2.1 0.6
assign (resid   81 and name HA   )(resid   81 and name HE21 ) 5.0 3.2 0.0
assign (resid   81 and name HA   )(resid   81 and name HG#  ) 5.0 3.8 0.6
assign (resid   81 and name HA   )(resid   81 and name HN   ) 3.5 1.7 0.0
assign (resid   81 and name HG#  )(resid   81 and name HB#  ) 3.3 2.7 1.2
assign (resid   81 and name HB#  )(resid   81 and name HN   ) 2.9 1.7 0.6
assign (resid   81 and name HB#  )(resid   82 and name HB#  ) 3.3 3.5 2.0
assign (resid   81 and name HE21 )(resid   81 and name HE22 ) 2.7 0.9 0.0
assign (resid   81 and name HE21 )(resid   81 and name HN   ) 5.0 3.2 0.0
assign (resid   81 and name HE22 )(resid   81 and name HN   ) 5.0 3.2 0.0
assign (resid   81 and name HG#  )(resid   81 and name HE21 ) 5.0 3.8 0.6
assign (resid   81 and name HG#  )(resid   81 and name HN   ) 3.5 2.3 0.6
assign (resid   82 and name HA   )(resid   82 and name HB#  ) 5.0 3.8 0.6
assign (resid   82 and name HA   )(resid   82 and name HN   ) 3.5 1.7 0.0
assign (resid   82 and name HB#  )(resid   82 and name HN   ) 3.5 2.3 0.6
assign (resid   82 and name HD#  )(resid   82 and name HE#  ) 7.0 6.4 1.2
assign (resid   82 and name HG#  )(resid   82 and name HB#  ) 3.8 3.2 1.2
assign (resid   82 and name HG#  )(resid   82 and name HE#  ) 7.0 6.4 1.2
assign (resid   82 and name HG#  )(resid   82 and name HN   ) 5.5 4.3 0.6
assign (resid   83 and name H1M# )(resid   83 and name H2B  ) 6.5 5.3 0.6
assign (resid   83 and name H1M# )(resid   83 and name H2G# ) 7.0 6.4 1.2
assign (resid   83 and name H1M# )(resid   83 and name HMA  ) 5.5 4.3 0.6
assign (resid   83 and name H1M# )(resid   83 and name HMD  ) 3.8 2.6 0.6
assign (resid   83 and name H2B  )(resid   83 and name H2G# ) 5.5 4.3 0.6
assign (resid   83 and name H2B  )(resid   83 and name HMA  ) 2.7 0.9 0.0
assign (resid   83 and name H2G# )(resid   83 and name HMA  ) 5.5 4.3 0.6
assign (resid   83 and name H3M# )(resid   83 and name H2B  ) 5.5 4.3 0.6
assign (resid   83 and name H3M# )(resid   83 and name H4B  ) 5.5 4.3 0.6
assign (resid   83 and name H3M# )(resid   83 and name H4G# ) 6.0 5.4 1.2
assign (resid   83 and name H3M# )(resid   83 and name HMA  ) 3.8 2.6 0.6
assign (resid   83 and name H4G# )(resid   83 and name H4B  ) 3.8 2.6 0.6
assign (resid   83 and name H5M# )(resid   83 and name H4B  ) 5.5 4.3 0.6
assign (resid   83 and name H4B  )(resid   83 and name HMB  ) 2.7 0.9 0.0
assign (resid   83 and name H4G# )(resid   83 and name HMB  ) 5.5 4.3 0.6
assign (resid   83 and name H5M# )(resid   83 and name H6B# ) 5.5 4.9 1.2
assign (resid   83 and name H5M# )(resid   83 and name HMB  ) 3.8 2.6 0.6
assign (resid   83 and name H6B# )(resid   83 and name HMG  ) 3.3 2.1 0.6
assign (resid   83 and name H6G# )(resid   83 and name H7B# ) 5.0 4.4 1.2
assign (resid   83 and name H6G# )(resid   83 and name HMG  ) 5.0 3.8 0.6
assign (resid   83 and name H7B# )(resid   83 and name HMG  ) 3.3 2.1 0.6
assign (resid   83 and name H7G# )(resid   83 and name H6B# ) 5.0 4.4 1.2
assign (resid   83 and name H7G# )(resid   83 and name H7B# ) 3.3 2.7 1.2
assign (resid   83 and name H7G# )(resid   83 and name HMG  ) 5.0 3.8 0.6
assign (resid   83 and name H8M# )(resid   83 and name HMD  ) 3.8 2.6 0.6
assign (resid    7 and name HN   )(resid    3 and name O    ) 2.0 0.3 0.3
assign (resid    7 and name N    )(resid    3 and name O    ) 3.0 0.3 0.3
assign (resid    8 and name HN   )(resid    4 and name O    ) 2.0 0.3 0.3
assign (resid    8 and name N    )(resid    4 and name O    ) 3.0 0.3 0.3
assign (resid    9 and name HN   )(resid    5 and name O    ) 2.0 0.3 0.3
assign (resid    9 and name N    )(resid    5 and name O    ) 3.0 0.3 0.3
assign (resid   10 and name HN   )(resid    6 and name O    ) 2.0 0.3 0.3
assign (resid   10 and name N    )(resid    6 and name O    ) 3.0 0.3 0.3
assign (resid   31 and name HN   )(resid   27 and name O    ) 2.0 0.3 0.3
assign (resid   31 and name N    )(resid   27 and name O    ) 3.0 0.3 0.3
assign (resid   32 and name HN   )(resid   28 and name O    ) 2.0 0.3 0.3
assign (resid   32 and name N    )(resid   28 and name O    ) 3.0 0.3 0.3
assign (resid   33 and name HN   )(resid   29 and name O    ) 2.0 0.3 0.3
assign (resid   33 and name N    )(resid   29 and name O    ) 3.0 0.3 0.3
assign (resid   44 and name HN   )(resid   40 and name O    ) 2.0 0.3 0.3
assign (resid   44 and name N    )(resid   40 and name O    ) 3.0 0.3 0.3
assign (resid   45 and name HN   )(resid   41 and name O    ) 2.0 0.3 0.3
assign (resid   45 and name N    )(resid   41 and name O    ) 3.0 0.3 0.3
assign (resid   46 and name HN   )(resid   42 and name O    ) 2.0 0.3 0.3
assign (resid   46 and name N    )(resid   42 and name O    ) 3.0 0.3 0.3
assign (resid   47 and name HN   )(resid   43 and name O    ) 2.0 0.3 0.3
assign (resid   47 and name N    )(resid   43 and name O    ) 3.0 0.3 0.3
assign (resid   48 and name HN   )(resid   44 and name O    ) 2.0 0.3 0.3
assign (resid   48 and name N    )(resid   44 and name O    ) 3.0 0.3 0.3
assign (resid   49 and name HN   )(resid   45 and name O    ) 2.0 0.3 0.3
assign (resid   49 and name N    )(resid   45 and name O    ) 3.0 0.3 0.3
assign (resid   52 and name HN   )(resid   61 and name O    ) 2.0 0.3 0.3
assign (resid   52 and name N    )(resid   61 and name O    ) 3.0 0.3 0.3
assign (resid   61 and name HN   )(resid   52 and name O    ) 2.0 0.3 0.3
assign (resid   61 and name N    )(resid   52 and name O    ) 3.0 0.3 0.3
assign (resid   72 and name HN   )(resid   68 and name O    ) 2.0 0.3 0.3
assign (resid   72 and name N    )(resid   68 and name O    ) 3.0 0.3 0.3
assign (resid   73 and name HN   )(resid   69 and name O    ) 2.0 0.3 0.3
assign (resid   73 and name N    )(resid   69 and name O    ) 3.0 0.3 0.3
assign (resid   74 and name HN   )(resid   70 and name O    ) 2.0 0.3 0.3
assign (resid   74 and name N    )(resid   70 and name O    ) 3.0 0.3 0.3
assign (resid   75 and name HN   )(resid   71 and name O    ) 2.0 0.3 0.3
assign (resid   75 and name N    )(resid   71 and name O    ) 3.0 0.3 0.3
assign (resid   76 and name HN   )(resid   72 and name O    ) 2.0 0.3 0.3
assign (resid   76 and name N    )(resid   72 and name O    ) 3.0 0.3 0.3
assign (resid   77 and name HN   )(resid   73 and name O    ) 2.0 0.3 0.3
assign (resid   77 and name N    )(resid   73 and name O    ) 3.0 0.3 0.3
assign (resid   78 and name HN   )(resid   74 and name O    ) 2.0 0.3 0.3
assign (resid   78 and name N    )(resid   74 and name O    ) 3.0 0.3 0.3
assign (resid   79 and name HN   )(resid   75 and name O    ) 2.0 0.3 0.3
assign (resid   79 and name N    )(resid   75 and name O    ) 3.0 0.3 0.3


  !!     4 
 assign (resid    3 and name c )   (resid    4 and name n ) 
        (resid    4 and name ca)   (resid    4 and name c )  1.0 -60.0 30.0 2
 assign (resid    4 and name n )   (resid    4 and name ca) 
        (resid    4 and name c )   (resid    5 and name n )  1.0 -40.0 30.0 2
  !!     5 
 assign (resid    4 and name c )   (resid    5 and name n ) 
        (resid    5 and name ca)   (resid    5 and name c )  1.0 -60.0 30.0 2
 assign (resid    5 and name n )   (resid    5 and name ca) 
        (resid    5 and name c )   (resid    6 and name n )  1.0 -40.0 30.0 2
  !!     6 
 assign (resid    5 and name c )   (resid    6 and name n ) 
        (resid    6 and name ca)   (resid    6 and name c )  1.0 -60.0 30.0 2
 assign (resid    6 and name n )   (resid    6 and name ca) 
        (resid    6 and name c )   (resid    7 and name n )  1.0 -40.0 30.0 2
  !!     7 
 assign (resid    6 and name c )   (resid    7 and name n ) 
        (resid    7 and name ca)   (resid    7 and name c )  1.0 -60.0 30.0 2
 assign (resid    7 and name n )   (resid    7 and name ca) 
        (resid    7 and name c )   (resid    8 and name n )  1.0 -40.0 30.0 2
  !!     8 
 assign (resid    7 and name c )   (resid    8 and name n ) 
        (resid    8 and name ca)   (resid    8 and name c )  1.0 -60.0 30.0 2
 assign (resid    8 and name n )   (resid    8 and name ca) 
        (resid    8 and name c )   (resid    9 and name n )  1.0 -40.0 30.0 2
  !!    28 
 assign (resid   27 and name c )   (resid   28 and name n ) 
        (resid   28 and name ca)   (resid   28 and name c )  1.0 -60.0 30.0 2
 assign (resid   28 and name n )   (resid   28 and name ca) 
        (resid   28 and name c )   (resid   29 and name n )  1.0 -40.0 30.0 2
  !!    29 
 assign (resid   28 and name c )   (resid   29 and name n ) 
        (resid   29 and name ca)   (resid   29 and name c )  1.0 -60.0 30.0 2
 assign (resid   29 and name n )   (resid   29 and name ca) 
        (resid   29 and name c )   (resid   30 and name n )  1.0 -40.0 30.0 2
  !!    30 
 assign (resid   29 and name c )   (resid   30 and name n ) 
        (resid   30 and name ca)   (resid   30 and name c )  1.0 -60.0 30.0 2
 assign (resid   30 and name n )   (resid   30 and name ca) 
        (resid   30 and name c )   (resid   31 and name n )  1.0 -40.0 30.0 2
  !!    31 
 assign (resid   30 and name c )   (resid   31 and name n ) 
        (resid   31 and name ca)   (resid   31 and name c )  1.0 -60.0 30.0 2
 assign (resid   31 and name n )   (resid   31 and name ca) 
        (resid   31 and name c )   (resid   32 and name n )  1.0 -40.0 30.0 2
  !!    32 
 assign (resid   31 and name c )   (resid   32 and name n ) 
        (resid   32 and name ca)   (resid   32 and name c )  1.0 -60.0 30.0 2
 assign (resid   32 and name n )   (resid   32 and name ca) 
        (resid   32 and name c )   (resid   33 and name n )  1.0 -40.0 30.0 2
  !!    41 
 assign (resid   40 and name c )   (resid   41 and name n )
        (resid   41 and name ca)   (resid   41 and name c )  1.0 -60.0 30.0 2
 assign (resid   41 and name n )   (resid   41 and name ca) 
        (resid   41 and name c )   (resid   42 and name n )  1.0 -40.0 30.0 2
  !!    42 
 assign (resid   41 and name c )   (resid   42 and name n )
        (resid   42 and name ca)   (resid   42 and name c )  1.0 -60.0 30.0 2
 assign (resid   42 and name n )   (resid   42 and name ca) 
        (resid   42 and name c )   (resid   43 and name n )  1.0 -40.0 30.0 2
  !!    43 
 assign (resid   42 and name c )   (resid   43 and name n )
        (resid   43 and name ca)   (resid   43 and name c )  1.0 -60.0 30.0 2
 assign (resid   43 and name n )   (resid   43 and name ca) 
        (resid   43 and name c )   (resid   44 and name n )  1.0 -40.0 30.0 2
  !!    44 
 assign (resid   43 and name c )   (resid   44 and name n )
        (resid   44 and name ca)   (resid   44 and name c )  1.0 -60.0 30.0 2
 assign (resid   44 and name n )   (resid   44 and name ca) 
        (resid   44 and name c )   (resid   45 and name n )  1.0 -40.0 30.0 2
  !!    45 
 assign (resid   44 and name c )   (resid   45 and name n )
        (resid   45 and name ca)   (resid   45 and name c )  1.0 -60.0 30.0 2
 assign (resid   45 and name n )   (resid   45 and name ca) 
        (resid   45 and name c )   (resid   46 and name n )  1.0 -40.0 30.0 2
  !!    46 
 assign (resid   45 and name c )   (resid   46 and name n )
        (resid   46 and name ca)   (resid   46 and name c )  1.0 -60.0 30.0 2
 assign (resid   46 and name n )   (resid   46 and name ca) 
        (resid   46 and name c )   (resid   47 and name n )  1.0 -40.0 30.0 2
  !!    47 
 assign (resid   46 and name c )   (resid   47 and name n )
        (resid   47 and name ca)   (resid   47 and name c )  1.0 -60.0 30.0 2
 assign (resid   47 and name n )   (resid   47 and name ca) 
        (resid   47 and name c )   (resid   48 and name n )  1.0 -40.0 30.0 2
  !!    48 
 assign (resid   47 and name c )   (resid   48 and name n )
        (resid   48 and name ca)   (resid   48 and name c )  1.0 -60.0 30.0 2
 assign (resid   48 and name n )   (resid   48 and name ca) 
        (resid   48 and name c )   (resid   49 and name n )  1.0 -40.0 30.0 2
  !!    69 
 assign (resid   68 and name c )   (resid   69 and name n ) 
        (resid   69 and name ca)   (resid   69 and name c )  1.0 -60.0 30.0 2
 assign (resid   69 and name n )   (resid   69 and name ca) 
        (resid   69 and name c )   (resid   70 and name n )  1.0 -40.0 30.0 2
  !!    70 
 assign (resid   69 and name c )   (resid   70 and name n ) 
        (resid   70 and name ca)   (resid   70 and name c )  1.0 -60.0 30.0 2
 assign (resid   70 and name n )   (resid   70 and name ca) 
        (resid   70 and name c )   (resid   71 and name n )  1.0 -40.0 30.0 2
  !!    71 
 assign (resid   70 and name c )   (resid   71 and name n ) 
        (resid   71 and name ca)   (resid   71 and name c )  1.0 -60.0 30.0 2
 assign (resid   71 and name n )   (resid   71 and name ca) 
        (resid   71 and name c )   (resid   72 and name n )  1.0 -40.0 30.0 2
  !!    72 
 assign (resid   71 and name c )   (resid   72 and name n ) 
        (resid   72 and name ca)   (resid   72 and name c )  1.0 -60.0 30.0 2
 assign (resid   72 and name n )   (resid   72 and name ca) 
        (resid   72 and name c )   (resid   73 and name n )  1.0 -40.0 30.0 2
  !!    73 
 assign (resid   72 and name c )   (resid   73 and name n ) 
        (resid   73 and name ca)   (resid   73 and name c )  1.0 -60.0 30.0 2
 assign (resid   73 and name n )   (resid   73 and name ca) 
        (resid   73 and name c )   (resid   74 and name n )  1.0 -40.0 30.0 2
  !!    74 
 assign (resid   73 and name c )   (resid   74 and name n ) 
        (resid   74 and name ca)   (resid   74 and name c )  1.0 -60.0 30.0 2
 assign (resid   74 and name n )   (resid   74 and name ca) 
        (resid   74 and name c )   (resid   75 and name n )  1.0 -40.0 30.0 2
  !!    75 
 assign (resid   74 and name c )   (resid   75 and name n ) 
        (resid   75 and name ca)   (resid   75 and name c )  1.0 -60.0 30.0 2
 assign (resid   75 and name n )   (resid   75 and name ca) 
        (resid   75 and name c )   (resid   76 and name n )  1.0 -40.0 30.0 2
  !!    76 
 assign (resid   75 and name c )   (resid   76 and name n ) 
        (resid   76 and name ca)   (resid   76 and name c )  1.0 -60.0 30.0 2
 assign (resid   76 and name n )   (resid   76 and name ca) 
        (resid   76 and name c )   (resid   77 and name n )  1.0 -40.0 30.0 2
  !!    77 
 assign (resid   76 and name c )   (resid   77 and name n ) 
        (resid   77 and name ca)   (resid   77 and name c )  1.0 -60.0 30.0 2
 assign (resid   77 and name n )   (resid   77 and name ca) 
        (resid   77 and name c )   (resid   78 and name n )  1.0 -40.0 30.0 2
  !!    78 
 assign (resid   77 and name c )   (resid   78 and name n ) 
        (resid   78 and name ca)   (resid   78 and name c )  1.0 -60.0 30.0 2
 assign (resid   78 and name n )   (resid   78 and name ca) 
        (resid   78 and name c )   (resid   79 and name n )  1.0 -40.0 30.0 2
  !!    79 
 assign (resid   78 and name c )   (resid   79 and name n ) 
        (resid   79 and name ca)   (resid   79 and name c )  1.0 -60.0 30.0 2
 assign (resid   79 and name n )   (resid   79 and name ca) 
        (resid   79 and name c )   (resid   80 and name n )  1.0 -40.0 30.0 2

  !!     2
assign (resid    1 and name c    )(resid    2 and name n    ) 
       (resid    2 and name ca   )(resid    2 and name c    )  1.0 -60.0 30.0 2
  !!    12
assign (resid   11 and name c    )(resid   12 and name n    ) 
       (resid   12 and name ca   )(resid   12 and name c    )  1.0 -60.0 30.0 2
  !!    16
assign (resid   15 and name c    )(resid   16 and name n    ) 
       (resid   16 and name ca   )(resid   16 and name c    )  1.0 -120.0 50.0 2
  !!    17
assign (resid   16 and name c    )(resid   17 and name n    ) 
       (resid   17 and name ca   )(resid   17 and name c    )  1.0 -120.0 50.0 2
  !!    18
assign (resid   17 and name c    )(resid   18 and name n    ) 
       (resid   18 and name ca   )(resid   18 and name c    )  1.0 -60.0 30.0 2
  !!    20
assign (resid   19 and name c    )(resid   20 and name n    ) 
       (resid   20 and name ca   )(resid   20 and name c    )  1.0 -120.0 50.0 2
  !!    23
assign (resid   22 and name c    )(resid   23 and name n    ) 
       (resid   23 and name ca   )(resid   23 and name c    )  1.0 -120.0 50.0 2
  !!    26
assign (resid   25 and name c    )(resid   26 and name n    ) 
       (resid   26 and name ca   )(resid   26 and name c    )  1.0 -60.0 30.0 2
  !!    27
assign (resid   26 and name c    )(resid   27 and name n    ) 
       (resid   27 and name ca   )(resid   27 and name c    )  1.0 -60.0 30.0 2
  !!    33
assign (resid   32 and name c    )(resid   33 and name n    ) 
       (resid   33 and name ca   )(resid   33 and name c    )  1.0 -60.0 30.0 2
  !!    34
assign (resid   33 and name c    )(resid   34 and name n    ) 
       (resid   34 and name ca   )(resid   34 and name c    )  1.0 -120.0 50.0 2
  !!    35
assign (resid   34 and name c    )(resid   35 and name n    ) 
       (resid   35 and name ca   )(resid   35 and name c    )  1.0 -60.0 30.0 2
  !!    38
assign (resid   37 and name c    )(resid   38 and name n    ) 
       (resid   38 and name ca   )(resid   38 and name c    )  1.0 -60.0 30.0 2
  !!    40
assign (resid   39 and name c    )(resid   40 and name n    ) 
       (resid   40 and name ca   )(resid   40 and name c    )  1.0 -60.0 30.0 2
  !!    49
assign (resid   48 and name c    )(resid   49 and name n    ) 
       (resid   49 and name ca   )(resid   49 and name c    )  1.0 -60.0 30.0 2
  !!    59
assign (resid   58 and name c    )(resid   59 and name n    ) 
       (resid   59 and name ca   )(resid   59 and name c    )  1.0 -120.0 50.0 2
  !!    61
assign (resid   60 and name c    )(resid   61 and name n    ) 
       (resid   61 and name ca   )(resid   61 and name c    )  1.0 -120.0 50.0 2
  !!    64
assign (resid   63 and name c    )(resid   64 and name n    ) 
       (resid   64 and name ca   )(resid   64 and name c    )  1.0 -120.0 50.0 2
  !!    66
assign (resid   65 and name c    )(resid   66 and name n    ) 
       (resid   66 and name ca   )(resid   66 and name c    )  1.0 -120.0 50.0 2
  !!    68
assign (resid   67 and name c    )(resid   68 and name n    ) 
       (resid   68 and name ca   )(resid   68 and name c    )  1.0 -60.0 30.0 2

  !!    V5  (g+)
 assign (resid   5 and name n )   (resid   5 and name ca)
        (resid   5 and name cb)   (resid   5 and name cg2)  1.0  -60.0 30.0 2
  !!    K10 (t2g3)
 assign (resid  10 and name n )   (resid  10 and name ca) 
        (resid  10 and name cb)   (resid  10 and name cg)  1.0  -60.0 30.0 2
  !!    C12 (t2g3)
 assign (resid  12 and name n )   (resid  12 and name ca) 
        (resid  12 and name cb)   (resid  12 and name sg)  1.0  -60.0 30.0 2
  !!    M13 (t2g3)
 assign (resid  13 and name n )   (resid  13 and name ca) 
        (resid  13 and name cb)   (resid  13 and name cg)  1.0  -60.0 30.0 2
  !!    C15 (t2g3)
 assign (resid  15 and name n )   (resid  15 and name ca) 
        (resid  15 and name cb)   (resid  15 and name sg)  1.0  -60.0 30.0 2
  !!    H16 (t2g3)
 assign (resid  16 and name n )   (resid  16 and name ca) 
        (resid  16 and name cb)   (resid  16 and name cg)  1.0  -60.0 30.0 2
  !!    M22 (t2g3)
 assign (resid  22 and name n )   (resid  22 and name ca) 
        (resid  22 and name cb)   (resid  22 and name cg)  1.0  -60.0 30.0 2
  !!    V23 (g+)
 assign (resid  23 and name n )   (resid  23 and name ca)
        (resid  23 and name cb)   (resid  23 and name cg2)  1.0  -60.0 30.0 2
  !!    Y27 (t2g3)
 assign (resid  27 and name n )   (resid  27 and name ca) 
        (resid  27 and name cb)   (resid  27 and name cg)  1.0  -60.0 30.0 2
  !!    D29 (t2g3)
 assign (resid  29 and name n )   (resid  29 and name ca) 
        (resid  29 and name cb)   (resid  29 and name cg)  1.0  -60.0 30.0 2
  !!    V30 (g+)
 assign (resid  30 and name n )   (resid  30 and name ca)
        (resid  30 and name cb)   (resid  30 and name cg2)  1.0  -60.0 30.0 2
  !!    K33 (g2t3)
 assign (resid  33 and name n )   (resid  33 and name ca) 
        (resid  33 and name cb)   (resid  33 and name cg)  1.0  180.0 30.0 2
  !!    Y34 (t2g3)
 assign (resid  34 and name n )   (resid  34 and name ca) 
        (resid  34 and name cb)   (resid  34 and name cg)  1.0  -60.0 30.0 2
  !!    Y43 (t2g3)
 assign (resid  43 and name n )   (resid  43 and name ca) 
        (resid  43 and name cb)   (resid  43 and name cg)  1.0  180.0 30.0 2
  !!    L44 (t2g3)
 assign (resid  44 and name n )   (resid  44 and name ca) 
        (resid  44 and name cb)   (resid  44 and name cg)  1.0  -60.0 30.0 2
  !!    R47 (t2g3)
 assign (resid  47 and name n )   (resid  47 and name ca) 
        (resid  47 and name cb)   (resid  47 and name cg)  1.0  -60.0 30.0 2
  !!    V55 (g+)
 assign (resid  55 and name n )   (resid  55 and name ca)
        (resid  55 and name cb)   (resid  55 and name cg2)  1.0  -60.0 30.0 2
  !!    W56 (t2g3)
 assign (resid  56 and name n )   (resid  56 and name ca) 
        (resid  56 and name cb)   (resid  56 and name cg)  1.0  -60.0 30.0 2
  !!    M61 (g2t3)
 assign (resid  61 and name n )   (resid  61 and name ca) 
        (resid  61 and name cb)   (resid  61 and name cg)  1.0  180.0 30.0 2
  !!    N64 (t2g3)
 assign (resid  64 and name n )   (resid  64 and name ca) 
        (resid  64 and name cb)   (resid  64 and name cg)  1.0  -60.0 30.0 2
  !!    L74 (t2g3)
 assign (resid  74 and name n )   (resid  74 and name ca) 
        (resid  74 and name cb)   (resid  74 and name cg)  1.0  -60.0 30.0 2
  !!    W77 (g2t3)
 assign (resid  77 and name n )   (resid  77 and name ca) 
        (resid  77 and name cb)   (resid  77 and name cg)  1.0  180.0 30.0 2







  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          1H        GLU   1  71.243  14.888  -1.106
    2   2H    GLU   1          2H        GLU   1  71.780  14.730   0.498
    3   3H    GLU   1          3H        GLU   1  72.161  16.124  -0.396
    4    HA   GLU   1           HA       GLU   1  70.414  16.971   0.774
    5   1HB   GLU   1          2HB       GLU   1  69.223  15.428  -1.555
    6   2HB   GLU   1          1HB       GLU   1  68.428  16.774  -0.737
    7   1HG   GLU   1          2HG       GLU   1  70.805  17.935  -1.260
    8   2HG   GLU   1          1HG       GLU   1  70.743  16.795  -2.606
    9    H    ASP   2           H        ASP   2  67.905  16.373   1.366
   10    HA   ASP   2           HA       ASP   2  67.889  14.590   3.513
   11   1HB   ASP   2          2HB       ASP   2  65.981  15.988   1.788
   12   2HB   ASP   2          1HB       ASP   2  65.316  14.489   2.439
   13    HA   PRO   3           HA       PRO   3  67.902  10.480   1.961
   14   1HB   PRO   3          2HB       PRO   3  65.640   9.608   3.508
   15   2HB   PRO   3          1HB       PRO   3  67.355   9.367   3.860
   16   1HG   PRO   3          2HG       PRO   3  65.512  11.118   5.196
   17   2HG   PRO   3          1HG       PRO   3  67.224  10.869   5.549
   18   1HD   PRO   3          2HD       PRO   3  65.989  13.184   4.357
   19   2HD   PRO   3          1HD       PRO   3  67.718  12.921   4.686
   20    H    GLU   4           H        GLU   4  64.561  11.674   2.424
   21    HA   GLU   4           HA       GLU   4  63.245  10.108   0.492
   22   1HB   GLU   4          2HB       GLU   4  62.395  11.874   2.192
   23   2HB   GLU   4          1HB       GLU   4  62.718  13.054   0.920
   24   1HG   GLU   4          2HG       GLU   4  61.356  11.082  -0.443
   25   2HG   GLU   4          1HG       GLU   4  60.555  11.078   1.128
   26    H    VAL   5           H        VAL   5  64.895  13.252   0.058
   27    HA   VAL   5           HA       VAL   5  64.460  13.715  -2.660
   28    HB   VAL   5           HB       VAL   5  67.041  14.009  -1.082
   29   1HG1  VAL   5          1HG1      VAL   5  65.968  15.490  -3.502
   30   2HG1  VAL   5          2HG1      VAL   5  67.342  14.386  -3.487
   31   3HG1  VAL   5          3HG1      VAL   5  67.434  15.920  -2.620
   32   1HG2  VAL   5          1HG2      VAL   5  64.537  15.699  -1.268
   33   2HG2  VAL   5          2HG2      VAL   5  66.081  16.364  -0.733
   34   3HG2  VAL   5          3HG2      VAL   5  65.315  15.067   0.183
   35    H    LEU   6           H        LEU   6  66.803  11.534  -1.133
   36    HA   LEU   6           HA       LEU   6  68.129  10.659  -3.523
   37   1HB   LEU   6          2HB       LEU   6  67.613   9.212  -0.903
   38   2HB   LEU   6          1HB       LEU   6  68.903   8.848  -2.051
   39    HG   LEU   6           HG       LEU   6  68.561  11.433  -0.501
   40   1HD1  LEU   6          1HD1      LEU   6  70.217  10.685   0.913
   41   2HD1  LEU   6          2HD1      LEU   6  70.990   9.710  -0.337
   42   3HD1  LEU   6          3HD1      LEU   6  69.536   9.120   0.469
   43   1HD2  LEU   6          1HD2      LEU   6  69.903  10.854  -2.978
   44   2HD2  LEU   6          2HD2      LEU   6  71.112  11.193  -1.741
   45   3HD2  LEU   6          3HD2      LEU   6  69.853  12.377  -2.090
   46    H    ALA   7           H        ALA   7  65.301   9.460  -1.753
   47    HA   ALA   7           HA       ALA   7  64.833   7.065  -3.185
   48   1HB   ALA   7          1HB       ALA   7  62.471   7.467  -2.392
   49   2HB   ALA   7          2HB       ALA   7  62.980   9.075  -1.879
   50   3HB   ALA   7          3HB       ALA   7  63.689   7.644  -1.128
   51    H    LYS   8           H        LYS   8  64.194  10.410  -4.057
   52    HA   LYS   8           HA       LYS   8  62.502   9.638  -6.358
   53   1HB   LYS   8          2HB       LYS   8  62.542  11.744  -4.661
   54   2HB   LYS   8          1HB       LYS   8  63.532  12.405  -5.962
   55   1HG   LYS   8          2HG       LYS   8  61.506  11.285  -7.399
   56   2HG   LYS   8          1HG       LYS   8  60.644  11.755  -5.934
   57   1HD   LYS   8          2HD       LYS   8  62.448  13.614  -7.507
   58   2HD   LYS   8          1HD       LYS   8  60.696  13.554  -7.690
   59   1HE   LYS   8          2HE       LYS   8  60.353  14.248  -5.400
   60   2HE   LYS   8          1HE       LYS   8  62.083  14.077  -5.037
   61   1HZ   LYS   8          1HZ       LYS   8  60.788  16.009  -6.876
   62   2HZ   LYS   8          2HZ       LYS   8  62.454  15.673  -6.938
   63   3HZ   LYS   8          3HZ       LYS   8  61.770  16.344  -5.535
   64    H    ASN   9           H        ASN   9  65.770  10.912  -5.745
   65    HA   ASN   9           HA       ASN   9  66.436  11.406  -8.513
   66   1HB   ASN   9          2HB       ASN   9  68.372  10.741  -6.290
   67   2HB   ASN   9          1HB       ASN   9  68.590  11.866  -7.630
   68   1HD2  ASN   9          1HD2      ASN   9  65.689  12.829  -7.144
   69   2HD2  ASN   9          2HD2      ASN   9  65.826  13.871  -5.802
   70    H    LYS  10           H        LYS  10  66.516   8.533  -6.492
   71    HA   LYS  10           HA       LYS  10  68.141   7.070  -8.511
   72   1HB   LYS  10          2HB       LYS  10  67.002   6.189  -5.839
   73   2HB   LYS  10          1HB       LYS  10  68.288   5.394  -6.755
   74   1HG   LYS  10          2HG       LYS  10  68.488   8.238  -5.730
   75   2HG   LYS  10          1HG       LYS  10  69.100   6.842  -4.844
   76   1HD   LYS  10          2HD       LYS  10  70.587   6.270  -6.690
   77   2HD   LYS  10          1HD       LYS  10  69.924   7.584  -7.664
   78   1HE   LYS  10          2HE       LYS  10  70.872   8.454  -5.011
   79   2HE   LYS  10          1HE       LYS  10  72.153   7.826  -6.067
   80   1HZ   LYS  10          1HZ       LYS  10  70.968   9.193  -7.870
   81   2HZ   LYS  10          2HZ       LYS  10  71.946  10.019  -6.752
   82   3HZ   LYS  10          3HZ       LYS  10  70.256  10.030  -6.578
   83    H    GLY  11           H        GLY  11  64.863   7.350  -7.294
   84   1HA   GLY  11          2HA       GLY  11  62.983   6.655  -8.696
   85   2HA   GLY  11          1HA       GLY  11  64.004   5.375  -9.356
   86    H    CYS  12           H        CYS  12  64.243   5.888  -5.959
   87    HA   CYS  12           HA       CYS  12  63.411   3.213  -5.322
   88   1HB   CYS  12          2HB       CYS  12  63.458   5.611  -3.473
   89   2HB   CYS  12          1HB       CYS  12  63.769   3.925  -3.058
   90    H    MET  13           H        MET  13  61.713   6.316  -5.408
   91    HA   MET  13           HA       MET  13  59.311   5.323  -4.070
   92   1HB   MET  13          2HB       MET  13  60.224   7.799  -5.514
   93   2HB   MET  13          1HB       MET  13  58.509   7.594  -5.146
   94   1HG   MET  13          2HG       MET  13  60.741   7.401  -3.102
   95   2HG   MET  13          1HG       MET  13  59.733   8.827  -3.352
   96   1HE   MET  13          1HE       MET  13  57.392   8.455  -3.927
   97   2HE   MET  13          2HE       MET  13  56.699   8.622  -2.318
   98   3HE   MET  13          3HE       MET  13  56.306   7.210  -3.295
   99    H    ALA  14           H        ALA  14  60.564   4.589  -7.039
  100    HA   ALA  14           HA       ALA  14  58.153   4.854  -8.674
  101   1HB   ALA  14          1HB       ALA  14  60.694   3.270  -9.133
  102   2HB   ALA  14          2HB       ALA  14  60.535   4.992  -9.477
  103   3HB   ALA  14          3HB       ALA  14  59.559   3.822 -10.365
  104    H    CYS  15           H        CYS  15  59.959   2.122  -7.247
  105    HA   CYS  15           HA       CYS  15  57.715   0.287  -7.903
  106   1HB   CYS  15          2HB       CYS  15  60.508  -0.055  -6.774
  107   2HB   CYS  15          1HB       CYS  15  59.401  -1.393  -7.072
  108    H    HIS  16           H        HIS  16  58.951   2.100  -5.219
  109    HA   HIS  16           HA       HIS  16  57.615   0.279  -3.268
  110   1HB   HIS  16          2HB       HIS  16  59.755   2.371  -3.225
  111   2HB   HIS  16          1HB       HIS  16  58.882   2.013  -1.730
  112    HD1  HIS  16           HD1      HIS  16  58.540  -0.937  -1.749
  113    HD2  HIS  16           HD2      HIS  16  62.054   0.842  -3.123
  114    HE1  HIS  16           HE1      HIS  16  60.346  -2.704  -1.589
  115    H    ALA  17           H        ALA  17  56.579   1.469  -1.389
  116    HA   ALA  17           HA       ALA  17  55.284   4.048  -2.034
  117   1HB   ALA  17          1HB       ALA  17  53.340   3.092  -2.692
  118   2HB   ALA  17          2HB       ALA  17  53.268   2.160  -1.197
  119   3HB   ALA  17          3HB       ALA  17  54.120   1.512  -2.599
  120    H    ILE  18           H        ILE  18  55.338   5.169  -0.127
  121    HA   ILE  18           HA       ILE  18  56.353   4.480   2.306
  122    HB   ILE  18           HB       ILE  18  53.843   6.123   1.825
  123   1HG1  ILE  18          2HG1      ILE  18  56.034   7.820   2.016
  124   2HG1  ILE  18          1HG1      ILE  18  56.650   6.468   1.062
  125   1HG2  ILE  18          1HG2      ILE  18  53.955   6.247   4.099
  126   2HG2  ILE  18          2HG2      ILE  18  55.262   7.388   3.778
  127   3HG2  ILE  18          3HG2      ILE  18  55.632   5.703   4.145
  128   1HD1  ILE  18          1HD1      ILE  18  54.511   8.434   0.403
  129   2HD1  ILE  18          2HD1      ILE  18  54.264   6.774  -0.140
  130   3HD1  ILE  18          3HD1      ILE  18  55.697   7.665  -0.652
  131    H    ASP  19           H        ASP  19  53.189   3.477   1.108
  132    HA   ASP  19           HA       ASP  19  52.983   1.592   3.387
  133   1HB   ASP  19          2HB       ASP  19  50.620   2.536   3.808
  134   2HB   ASP  19          1HB       ASP  19  51.981   3.512   4.363
  135    H    THR  20           H        THR  20  51.622   2.834   0.351
  136    HA   THR  20           HA       THR  20  49.713   0.698  -0.018
  137    HB   THR  20           HB       THR  20  49.870   1.566  -2.424
  138    HG1  THR  20           HG1      THR  20  51.450   2.849  -2.875
  139   1HG2  THR  20          1HG2      THR  20  49.344   4.051  -1.345
  140   2HG2  THR  20          2HG2      THR  20  49.061   2.972   0.021
  141   3HG2  THR  20          3HG2      THR  20  48.175   2.737  -1.486
  142    H    LYS  21           H        LYS  21  49.932  -1.161  -1.389
  143    HA   LYS  21           HA       LYS  21  52.690  -2.218  -1.511
  144   1HB   LYS  21          2HB       LYS  21  50.605  -3.383  -0.564
  145   2HB   LYS  21          1HB       LYS  21  50.100  -3.590  -2.242
  146   1HG   LYS  21          2HG       LYS  21  52.314  -4.698  -2.696
  147   2HG   LYS  21          1HG       LYS  21  52.643  -4.634  -0.964
  148   1HD   LYS  21          2HD       LYS  21  50.600  -5.948  -0.527
  149   2HD   LYS  21          1HD       LYS  21  50.276  -6.020  -2.259
  150   1HE   LYS  21          2HE       LYS  21  51.391  -8.060  -1.890
  151   2HE   LYS  21          1HE       LYS  21  52.735  -7.004  -2.368
  152   1HZ   LYS  21          1HZ       LYS  21  53.014  -8.278  -0.206
  153   2HZ   LYS  21          2HZ       LYS  21  51.841  -7.234   0.445
  154   3HZ   LYS  21          3HZ       LYS  21  53.306  -6.609  -0.147
  155    H    MET  22           H        MET  22  53.816  -1.909  -3.374
  156    HA   MET  22           HA       MET  22  52.305  -1.937  -5.965
  157   1HB   MET  22          2HB       MET  22  54.739  -0.347  -5.082
  158   2HB   MET  22          1HB       MET  22  54.061  -0.315  -6.714
  159   1HG   MET  22          2HG       MET  22  51.855   0.142  -5.089
  160   2HG   MET  22          1HG       MET  22  53.142   1.049  -4.296
  161   1HE   MET  22          1HE       MET  22  54.021   2.965  -4.812
  162   2HE   MET  22          2HE       MET  22  53.915   3.942  -6.274
  163   3HE   MET  22          3HE       MET  22  54.988   2.545  -6.231
  164    H    VAL  23           H        VAL  23  55.571  -1.626  -6.555
  165    HA   VAL  23           HA       VAL  23  55.821  -4.384  -7.455
  166    HB   VAL  23           HB       VAL  23  57.635  -1.964  -7.323
  167   1HG1  VAL  23          1HG1      VAL  23  58.811  -3.618  -9.139
  168   2HG1  VAL  23          2HG1      VAL  23  58.229  -4.795  -7.961
  169   3HG1  VAL  23          3HG1      VAL  23  59.317  -3.504  -7.453
  170   1HG2  VAL  23          1HG2      VAL  23  57.311  -2.095  -9.818
  171   2HG2  VAL  23          2HG2      VAL  23  55.825  -1.773  -8.926
  172   3HG2  VAL  23          3HG2      VAL  23  56.148  -3.393  -9.546
  173    H    GLY  24           H        GLY  24  57.022  -2.460  -4.746
  174   1HA   GLY  24          2HA       GLY  24  58.185  -4.966  -3.592
  175   2HA   GLY  24          1HA       GLY  24  58.929  -3.379  -3.347
  176    HA   PRO  25           HA       PRO  25  55.708  -4.426  -0.018
  177   1HB   PRO  25          2HB       PRO  25  57.825  -4.336   1.929
  178   2HB   PRO  25          1HB       PRO  25  56.836  -5.723   1.465
  179   1HG   PRO  25          2HG       PRO  25  59.599  -5.315   0.902
  180   2HG   PRO  25          1HG       PRO  25  58.573  -6.638   0.338
  181   1HD   PRO  25          2HD       PRO  25  59.617  -4.375  -1.180
  182   2HD   PRO  25          1HD       PRO  25  58.738  -5.803  -1.780
  183    H    ALA  26           H        ALA  26  54.783  -2.637   1.012
  184    HA   ALA  26           HA       ALA  26  55.483  -0.004   0.579
  185   1HB   ALA  26          1HB       ALA  26  53.475  -0.161   1.672
  186   2HB   ALA  26          2HB       ALA  26  54.461   0.116   3.108
  187   3HB   ALA  26          3HB       ALA  26  54.008  -1.527   2.653
  188    H    TYR  27           H        TYR  27  56.662   1.599   1.875
  189    HA   TYR  27           HA       TYR  27  59.215   0.674   2.833
  190   1HB   TYR  27          2HB       TYR  27  57.669   3.253   2.740
  191   2HB   TYR  27          1HB       TYR  27  59.200   3.191   3.606
  192    HD1  TYR  27           HD1      TYR  27  60.698   1.219   1.909
  193    HD2  TYR  27           HD2      TYR  27  58.191   4.533   0.822
  194    HE1  TYR  27           HE1      TYR  27  61.925   1.445  -0.228
  195    HE2  TYR  27           HE2      TYR  27  59.420   4.758  -1.317
  196    HH   TYR  27           HH       TYR  27  62.075   2.530  -2.156
  197    H    LYS  28           H        LYS  28  56.598   2.386   4.614
  198    HA   LYS  28           HA       LYS  28  57.595   1.966   7.216
  199   1HB   LYS  28          2HB       LYS  28  55.412   3.130   6.075
  200   2HB   LYS  28          1HB       LYS  28  54.668   1.706   6.804
  201   1HG   LYS  28          2HG       LYS  28  56.478   2.737   8.726
  202   2HG   LYS  28          1HG       LYS  28  55.578   4.117   8.094
  203   1HD   LYS  28          2HD       LYS  28  53.499   2.525   8.392
  204   2HD   LYS  28          1HD       LYS  28  54.555   1.687   9.530
  205   1HE   LYS  28          2HE       LYS  28  54.992   4.086  10.505
  206   2HE   LYS  28          1HE       LYS  28  53.472   4.494   9.684
  207   1HZ   LYS  28          1HZ       LYS  28  53.943   2.405  11.731
  208   2HZ   LYS  28          2HZ       LYS  28  52.578   2.379  10.721
  209   3HZ   LYS  28          3HZ       LYS  28  52.831   3.684  11.780
  210    H    ASP  29           H        ASP  29  55.529  -0.120   5.209
  211    HA   ASP  29           HA       ASP  29  55.050  -2.199   7.092
  212   1HB   ASP  29          2HB       ASP  29  55.230  -1.959   4.096
  213   2HB   ASP  29          1HB       ASP  29  54.984  -3.545   4.828
  214    H    VAL  30           H        VAL  30  57.772  -1.693   4.833
  215    HA   VAL  30           HA       VAL  30  59.163  -4.129   5.239
  216    HB   VAL  30           HB       VAL  30  59.960  -1.281   4.628
  217   1HG1  VAL  30          1HG1      VAL  30  62.086  -1.758   5.208
  218   2HG1  VAL  30          2HG1      VAL  30  62.096  -2.943   3.903
  219   3HG1  VAL  30          3HG1      VAL  30  61.677  -3.442   5.542
  220   1HG2  VAL  30          1HG2      VAL  30  60.230  -3.760   2.925
  221   2HG2  VAL  30          2HG2      VAL  30  60.184  -2.076   2.403
  222   3HG2  VAL  30          3HG2      VAL  30  58.719  -2.854   3.001
  223    H    ALA  31           H        ALA  31  59.127  -1.136   7.135
  224    HA   ALA  31           HA       ALA  31  61.169  -1.989   9.023
  225   1HB   ALA  31          1HB       ALA  31  59.847   0.345   8.317
  226   2HB   ALA  31          2HB       ALA  31  60.927   0.171   9.700
  227   3HB   ALA  31          3HB       ALA  31  59.186  -0.011   9.913
  228    H    ALA  32           H        ALA  32  57.719  -2.446   8.716
  229    HA   ALA  32           HA       ALA  32  57.190  -3.106  11.488
  230   1HB   ALA  32          1HB       ALA  32  55.355  -4.349   9.686
  231   2HB   ALA  32          2HB       ALA  32  55.817  -2.794   8.993
  232   3HB   ALA  32          3HB       ALA  32  55.123  -2.867  10.612
  233    H    LYS  33           H        LYS  33  58.257  -4.917   8.661
  234    HA   LYS  33           HA       LYS  33  57.889  -7.514  10.009
  235   1HB   LYS  33          2HB       LYS  33  57.411  -7.501   7.690
  236   2HB   LYS  33          1HB       LYS  33  58.844  -6.541   7.315
  237   1HG   LYS  33          2HG       LYS  33  60.211  -8.362   7.284
  238   2HG   LYS  33          1HG       LYS  33  59.392  -9.121   8.650
  239   1HD   LYS  33          2HD       LYS  33  57.785  -8.933   6.174
  240   2HD   LYS  33          1HD       LYS  33  59.184 -10.003   6.077
  241   1HE   LYS  33          2HE       LYS  33  58.283 -10.859   8.430
  242   2HE   LYS  33          1HE       LYS  33  56.744 -10.232   7.805
  243   1HZ   LYS  33          1HZ       LYS  33  57.283 -11.427   5.689
  244   2HZ   LYS  33          2HZ       LYS  33  56.950 -12.444   7.009
  245   3HZ   LYS  33          3HZ       LYS  33  58.554 -12.194   6.507
  246    H    TYR  34           H        TYR  34  60.517  -5.304   9.105
  247    HA   TYR  34           HA       TYR  34  62.545  -7.166  10.223
  248   1HB   TYR  34          2HB       TYR  34  62.501  -4.639   8.593
  249   2HB   TYR  34          1HB       TYR  34  63.987  -5.089   9.441
  250    HD1  TYR  34           HD1      TYR  34  61.617  -7.648   8.282
  251    HD2  TYR  34           HD2      TYR  34  65.213  -5.492   7.346
  252    HE1  TYR  34           HE1      TYR  34  62.142  -9.295   6.501
  253    HE2  TYR  34           HE2      TYR  34  65.738  -7.138   5.567
  254    HH   TYR  34           HH       TYR  34  63.447  -9.466   4.483
  255    H    ALA  35           H        ALA  35  60.453  -4.855  11.410
  256    HA   ALA  35           HA       ALA  35  61.958  -3.167  13.089
  257   1HB   ALA  35          1HB       ALA  35  59.719  -2.670  13.143
  258   2HB   ALA  35          2HB       ALA  35  59.734  -3.724  14.558
  259   3HB   ALA  35          3HB       ALA  35  59.243  -4.361  12.988
  260    H    GLY  36           H        GLY  36  63.232  -3.577  14.860
  261   1HA   GLY  36          2HA       GLY  36  63.430  -4.765  17.053
  262   2HA   GLY  36          1HA       GLY  36  62.932  -6.233  16.210
  263    H    GLN  37           H        GLN  37  64.660  -5.200  13.865
  264    HA   GLN  37           HA       GLN  37  67.000  -6.767  14.444
  265   1HB   GLN  37          2HB       GLN  37  66.028  -4.892  12.315
  266   2HB   GLN  37          1HB       GLN  37  67.724  -5.376  12.294
  267   1HG   GLN  37          2HG       GLN  37  65.510  -7.413  12.547
  268   2HG   GLN  37          1HG       GLN  37  66.068  -6.847  10.971
  269   1HE2  GLN  37          1HE2      GLN  37  68.481  -7.116  10.545
  270   2HE2  GLN  37          2HE2      GLN  37  69.284  -8.436  11.268
  271    H    ALA  38           H        ALA  38  69.108  -6.070  15.001
  272    HA   ALA  38           HA       ALA  38  69.275  -3.499  16.412
  273   1HB   ALA  38          1HB       ALA  38  70.745  -4.724  17.609
  274   2HB   ALA  38          2HB       ALA  38  71.754  -4.955  16.182
  275   3HB   ALA  38          3HB       ALA  38  70.440  -6.080  16.523
  276    H    GLY  39           H        GLY  39  68.884  -2.868  13.769
  277   1HA   GLY  39          2HA       GLY  39  70.257  -1.008  12.733
  278   2HA   GLY  39          1HA       GLY  39  71.618  -2.129  12.803
  279    H    ALA  40           H        ALA  40  68.221  -2.339  11.669
  280    HA   ALA  40           HA       ALA  40  68.937  -4.142   9.500
  281   1HB   ALA  40          1HB       ALA  40  66.397  -2.549   9.611
  282   2HB   ALA  40          2HB       ALA  40  66.723  -3.710  10.898
  283   3HB   ALA  40          3HB       ALA  40  66.627  -4.254   9.223
  284    H    GLU  41           H        GLU  41  69.053  -0.732   9.891
  285    HA   GLU  41           HA       GLU  41  68.529   0.010   7.125
  286   1HB   GLU  41          2HB       GLU  41  69.532   2.177   7.941
  287   2HB   GLU  41          1HB       GLU  41  68.220   1.579   8.954
  288   1HG   GLU  41          2HG       GLU  41  69.620   1.661  10.712
  289   2HG   GLU  41          1HG       GLU  41  70.565   0.379   9.960
  290    H    ALA  42           H        ALA  42  71.364  -0.954   8.988
  291    HA   ALA  42           HA       ALA  42  73.348  -0.099   7.063
  292   1HB   ALA  42          1HB       ALA  42  73.158  -1.360   9.632
  293   2HB   ALA  42          2HB       ALA  42  74.585  -0.654   8.874
  294   3HB   ALA  42          3HB       ALA  42  74.196  -2.353   8.609
  295    H    TYR  43           H        TYR  43  71.961  -3.321   7.837
  296    HA   TYR  43           HA       TYR  43  73.196  -4.659   5.604
  297   1HB   TYR  43          2HB       TYR  43  72.257  -5.702   7.690
  298   2HB   TYR  43          1HB       TYR  43  70.635  -5.281   7.128
  299    HD1  TYR  43           HD1      TYR  43  73.739  -6.961   5.835
  300    HD2  TYR  43           HD2      TYR  43  69.447  -6.907   5.976
  301    HE1  TYR  43           HE1      TYR  43  73.669  -9.038   4.482
  302    HE2  TYR  43           HE2      TYR  43  69.375  -8.983   4.624
  303    HH   TYR  43           HH       TYR  43  70.878 -10.914   4.140
  304    H    LEU  44           H        LEU  44  70.154  -2.923   6.046
  305    HA   LEU  44           HA       LEU  44  68.866  -3.631   3.596
  306   1HB   LEU  44          2HB       LEU  44  68.849  -1.373   5.570
  307   2HB   LEU  44          1HB       LEU  44  68.014  -1.126   4.035
  308    HG   LEU  44           HG       LEU  44  67.549  -3.570   5.751
  309   1HD1  LEU  44          1HD1      LEU  44  65.736  -2.497   6.819
  310   2HD1  LEU  44          2HD1      LEU  44  65.742  -1.156   5.674
  311   3HD1  LEU  44          3HD1      LEU  44  67.027  -1.297   6.874
  312   1HD2  LEU  44          1HD2      LEU  44  66.063  -4.150   4.145
  313   2HD2  LEU  44          2HD2      LEU  44  66.831  -2.919   3.142
  314   3HD2  LEU  44          3HD2      LEU  44  65.391  -2.520   4.077
  315    H    ALA  45           H        ALA  45  71.335  -1.245   4.427
  316    HA   ALA  45           HA       ALA  45  71.431   0.100   1.891
  317   1HB   ALA  45          1HB       ALA  45  72.508   0.404   4.383
  318   2HB   ALA  45          2HB       ALA  45  73.082   1.275   2.961
  319   3HB   ALA  45          3HB       ALA  45  73.908  -0.191   3.490
  320    H    GLN  46           H        GLN  46  73.101  -2.767   3.199
  321    HA   GLN  46           HA       GLN  46  74.869  -3.091   0.925
  322   1HB   GLN  46          2HB       GLN  46  74.253  -4.308   3.462
  323   2HB   GLN  46          1HB       GLN  46  74.351  -5.566   2.228
  324   1HG   GLN  46          2HG       GLN  46  76.589  -5.402   2.775
  325   2HG   GLN  46          1HG       GLN  46  76.508  -4.181   1.503
  326   1HE2  GLN  46          1HE2      GLN  46  78.506  -3.435   2.929
  327   2HE2  GLN  46          2HE2      GLN  46  78.143  -2.326   4.173
  328    H    ARG  47           H        ARG  47  71.580  -4.110   1.648
  329    HA   ARG  47           HA       ARG  47  71.463  -5.909  -0.696
  330   1HB   ARG  47          2HB       ARG  47  69.621  -5.040   1.535
  331   2HB   ARG  47          1HB       ARG  47  69.004  -5.958   0.162
  332   1HG   ARG  47          2HG       ARG  47  71.276  -6.820   1.974
  333   2HG   ARG  47          1HG       ARG  47  69.635  -7.466   2.007
  334   1HD   ARG  47          2HD       ARG  47  69.955  -8.106  -0.440
  335   2HD   ARG  47          1HD       ARG  47  71.674  -7.722  -0.222
  336    HE   ARG  47           HE       ARG  47  70.823  -9.387   1.938
  337   1HH1  ARG  47          1HH1      ARG  47  71.426  -9.434  -1.465
  338   2HH1  ARG  47          2HH1      ARG  47  71.857 -11.112  -1.494
  339   1HH2  ARG  47          1HH2      ARG  47  71.386 -11.569   1.910
  340   2HH2  ARG  47          2HH2      ARG  47  71.836 -12.318   0.414
  341    H    ILE  48           H        ILE  48  71.046  -2.599   0.014
  342    HA   ILE  48           HA       ILE  48  69.084  -2.112  -2.141
  343    HB   ILE  48           HB       ILE  48  70.565  -0.417  -0.114
  344   1HG1  ILE  48          2HG1      ILE  48  67.584  -0.694  -0.431
  345   2HG1  ILE  48          1HG1      ILE  48  68.494  -1.960   0.390
  346   1HG2  ILE  48          1HG2      ILE  48  70.340   0.994  -2.044
  347   2HG2  ILE  48          2HG2      ILE  48  69.027   1.431  -0.950
  348   3HG2  ILE  48          3HG2      ILE  48  68.704   0.413  -2.355
  349   1HD1  ILE  48          1HD1      ILE  48  68.233  -0.668   2.238
  350   2HD1  ILE  48          2HD1      ILE  48  67.841   0.767   1.292
  351   3HD1  ILE  48          3HD1      ILE  48  69.526   0.311   1.545
  352    H    LYS  49           H        LYS  49  72.537  -2.010  -1.568
  353    HA   LYS  49           HA       LYS  49  73.089  -0.401  -3.970
  354   1HB   LYS  49          2HB       LYS  49  74.361  -1.081  -1.551
  355   2HB   LYS  49          1HB       LYS  49  75.327  -1.849  -2.811
  356   1HG   LYS  49          2HG       LYS  49  74.714   0.688  -3.832
  357   2HG   LYS  49          1HG       LYS  49  75.105   0.968  -2.135
  358   1HD   LYS  49          2HD       LYS  49  76.973  -0.930  -3.202
  359   2HD   LYS  49          1HD       LYS  49  76.910   0.469  -4.276
  360   1HE   LYS  49          2HE       LYS  49  76.961   1.768  -1.910
  361   2HE   LYS  49          1HE       LYS  49  77.850   0.301  -1.453
  362   1HZ   LYS  49          1HZ       LYS  49  79.545   1.445  -2.412
  363   2HZ   LYS  49          2HZ       LYS  49  78.525   2.339  -3.437
  364   3HZ   LYS  49          3HZ       LYS  49  78.919   0.730  -3.817
  365    H    ASN  50           H        ASN  50  72.516  -3.695  -3.201
  366    HA   ASN  50           HA       ASN  50  73.638  -4.530  -5.855
  367   1HB   ASN  50          2HB       ASN  50  74.791  -5.249  -3.635
  368   2HB   ASN  50          1HB       ASN  50  73.406  -6.324  -3.444
  369   1HD2  ASN  50          1HD2      ASN  50  73.501  -8.301  -4.544
  370   2HD2  ASN  50          2HD2      ASN  50  74.630  -8.667  -5.770
  371    H    GLY  51           H        GLY  51  70.889  -4.329  -3.827
  372   1HA   GLY  51          2HA       GLY  51  68.713  -5.223  -3.977
  373   2HA   GLY  51          1HA       GLY  51  69.020  -5.244  -5.714
  374    H    SER  52           H        SER  52  67.473  -7.298  -4.889
  375    HA   SER  52           HA       SER  52  68.736  -9.668  -5.715
  376   1HB   SER  52          2HB       SER  52  69.602  -8.774  -3.102
  377   2HB   SER  52          1HB       SER  52  68.822 -10.347  -2.971
  378    HG   SER  52           HG       SER  52  70.748 -10.978  -3.605
  379    H    GLN  53           H        GLN  53  67.562 -11.698  -4.990
  380    HA   GLN  53           HA       GLN  53  64.714 -11.055  -4.377
  381   1HB   GLN  53          2HB       GLN  53  64.185 -12.962  -5.645
  382   2HB   GLN  53          1HB       GLN  53  65.606 -12.344  -6.468
  383   1HG   GLN  53          2HG       GLN  53  65.789 -14.457  -4.315
  384   2HG   GLN  53          1HG       GLN  53  65.581 -14.851  -6.016
  385   1HE2  GLN  53          1HE2      GLN  53  67.975 -14.892  -3.882
  386   2HE2  GLN  53          2HE2      GLN  53  69.277 -14.313  -4.820
  387    H    GLY  54           H        GLY  54  63.957 -13.649  -3.489
  388   1HA   GLY  54          2HA       GLY  54  63.804 -14.844  -1.467
  389   2HA   GLY  54          1HA       GLY  54  65.567 -14.743  -1.423
  390    H    VAL  55           H        VAL  55  63.864 -11.781  -1.627
  391    HA   VAL  55           HA       VAL  55  64.617 -11.132   1.186
  392    HB   VAL  55           HB       VAL  55  63.945  -9.448  -1.252
  393   1HG1  VAL  55          1HG1      VAL  55  64.355  -7.559  -0.014
  394   2HG1  VAL  55          2HG1      VAL  55  65.433  -8.395   1.103
  395   3HG1  VAL  55          3HG1      VAL  55  63.685  -8.583   1.254
  396   1HG2  VAL  55          1HG2      VAL  55  66.020 -10.159  -1.866
  397   2HG2  VAL  55          2HG2      VAL  55  66.404 -10.728  -0.241
  398   3HG2  VAL  55          3HG2      VAL  55  66.584  -9.020  -0.642
  399    H    TRP  56           H        TRP  56  62.072 -10.159  -1.131
  400    HA   TRP  56           HA       TRP  56  60.071 -10.334   1.093
  401   1HB   TRP  56          2HB       TRP  56  60.486  -8.445  -1.233
  402   2HB   TRP  56          1HB       TRP  56  58.948  -8.537  -0.378
  403    HD1  TRP  56           HD1      TRP  56  62.460  -7.227  -0.080
  404    HE1  TRP  56           HE1      TRP  56  62.704  -5.896   2.111
  405    HE3  TRP  56           HE3      TRP  56  58.042  -8.427   2.182
  406    HZ2  TRP  56           HZ2      TRP  56  61.226  -5.400   4.504
  407    HZ3  TRP  56           HZ3      TRP  56  57.489  -7.509   4.419
  408    HH2  TRP  56           HH2      TRP  56  59.073  -5.999   5.576
  409    H    GLY  57           H        GLY  57  60.770 -10.822  -2.339
  410   1HA   GLY  57          2HA       GLY  57  58.861 -13.032  -2.483
  411   2HA   GLY  57          1HA       GLY  57  58.399 -11.631  -3.453
  412    HA   PRO  58           HA       PRO  58  61.366 -14.373  -5.854
  413   1HB   PRO  58          2HB       PRO  58  59.411 -14.395  -7.964
  414   2HB   PRO  58          1HB       PRO  58  59.948 -15.750  -6.965
  415   1HG   PRO  58          2HG       PRO  58  57.406 -14.479  -6.907
  416   2HG   PRO  58          1HG       PRO  58  57.999 -15.729  -5.810
  417   1HD   PRO  58          2HD       PRO  58  57.614 -12.875  -5.289
  418   2HD   PRO  58          1HD       PRO  58  57.989 -14.180  -4.134
  419    H    ILE  59           H        ILE  59  60.221 -11.259  -5.926
  420    HA   ILE  59           HA       ILE  59  61.345 -10.639  -8.625
  421    HB   ILE  59           HB       ILE  59  59.811  -8.837  -6.732
  422   1HG1  ILE  59          2HG1      ILE  59  58.760 -10.799  -8.796
  423   2HG1  ILE  59          1HG1      ILE  59  58.441 -10.818  -7.061
  424   1HG2  ILE  59          1HG2      ILE  59  59.917  -8.842  -9.757
  425   2HG2  ILE  59          2HG2      ILE  59  61.064  -7.935  -8.770
  426   3HG2  ILE  59          3HG2      ILE  59  59.343  -7.555  -8.695
  427   1HD1  ILE  59          1HD1      ILE  59  57.399  -8.936  -9.155
  428   2HD1  ILE  59          2HD1      ILE  59  57.549  -8.381  -7.487
  429   3HD1  ILE  59          3HD1      ILE  59  56.524  -9.764  -7.868
  430    HA   PRO  60           HA       PRO  60  64.819  -9.665  -5.675
  431   1HB   PRO  60          2HB       PRO  60  66.429  -9.547  -8.061
  432   2HB   PRO  60          1HB       PRO  60  66.456 -10.780  -6.801
  433   1HG   PRO  60          2HG       PRO  60  65.332 -10.939  -9.480
  434   2HG   PRO  60          1HG       PRO  60  65.563 -12.235  -8.304
  435   1HD   PRO  60          2HD       PRO  60  63.085 -11.141  -9.088
  436   2HD   PRO  60          1HD       PRO  60  63.369 -12.158  -7.652
  437    H    MET  61           H        MET  61  65.341  -7.542  -5.202
  438    HA   MET  61           HA       MET  61  64.367  -5.376  -6.851
  439   1HB   MET  61          2HB       MET  61  64.562  -5.232  -4.430
  440   2HB   MET  61          1HB       MET  61  66.298  -5.543  -4.518
  441   1HG   MET  61          2HG       MET  61  65.564  -3.340  -6.255
  442   2HG   MET  61          1HG       MET  61  65.040  -3.039  -4.598
  443   1HE   MET  61          1HE       MET  61  67.567  -3.374  -2.357
  444   2HE   MET  61          2HE       MET  61  65.987  -2.790  -2.870
  445   3HE   MET  61          3HE       MET  61  67.370  -1.699  -2.892
  446    HA   PRO  62           HA       PRO  62  67.870  -5.334  -9.626
  447   1HB   PRO  62          2HB       PRO  62  67.259  -2.613 -10.338
  448   2HB   PRO  62          1HB       PRO  62  66.918  -4.079 -11.262
  449   1HG   PRO  62          2HG       PRO  62  65.041  -2.399  -9.910
  450   2HG   PRO  62          1HG       PRO  62  64.714  -3.904 -10.772
  451   1HD   PRO  62          2HD       PRO  62  64.689  -3.438  -7.908
  452   2HD   PRO  62          1HD       PRO  62  64.272  -4.931  -8.787
  453    HA   PRO  63           HA       PRO  63  70.689  -3.381  -6.751
  454   1HB   PRO  63          2HB       PRO  63  72.773  -3.476  -8.724
  455   2HB   PRO  63          1HB       PRO  63  72.537  -4.545  -7.340
  456   1HG   PRO  63          2HG       PRO  63  72.118  -5.135 -10.130
  457   2HG   PRO  63          1HG       PRO  63  71.946  -6.218  -8.745
  458   1HD   PRO  63          2HD       PRO  63  69.850  -5.110 -10.363
  459   2HD   PRO  63          1HD       PRO  63  69.673  -6.121  -8.908
  460    H    ASN  64           H        ASN  64  71.196  -1.208  -6.447
  461    HA   ASN  64           HA       ASN  64  70.875   0.602  -8.813
  462   1HB   ASN  64          2HB       ASN  64  70.602   1.113  -5.832
  463   2HB   ASN  64          1HB       ASN  64  70.194   2.249  -7.120
  464   1HD2  ASN  64          1HD2      ASN  64  69.361  -1.069  -5.982
  465   2HD2  ASN  64          2HD2      ASN  64  67.738  -0.998  -6.502
  466    H    ALA  65           H        ALA  65  72.301   2.520  -8.843
  467    HA   ALA  65           HA       ALA  65  75.052   1.841  -8.003
  468   1HB   ALA  65          1HB       ALA  65  74.876   4.378  -9.271
  469   2HB   ALA  65          2HB       ALA  65  73.698   3.334 -10.068
  470   3HB   ALA  65          3HB       ALA  65  75.394   2.856  -9.995
  471    H    VAL  66           H        VAL  66  73.128   2.533  -5.906
  472    HA   VAL  66           HA       VAL  66  73.648   5.290  -5.072
  473    HB   VAL  66           HB       VAL  66  72.436   4.444  -3.016
  474   1HG1  VAL  66          1HG1      VAL  66  71.017   3.576  -5.537
  475   2HG1  VAL  66          2HG1      VAL  66  71.353   5.277  -5.210
  476   3HG1  VAL  66          3HG1      VAL  66  70.336   4.351  -4.105
  477   1HG2  VAL  66          1HG2      VAL  66  73.309   1.954  -4.072
  478   2HG2  VAL  66          2HG2      VAL  66  71.549   1.966  -4.185
  479   3HG2  VAL  66          3HG2      VAL  66  72.335   2.227  -2.628
  480    H    SER  67           H        SER  67  75.595   5.870  -4.169
  481    HA   SER  67           HA       SER  67  77.744   4.242  -3.476
  482   1HB   SER  67          2HB       SER  67  76.772   6.944  -2.927
  483   2HB   SER  67          1HB       SER  67  77.760   6.324  -1.608
  484    HG   SER  67           HG       SER  67  78.504   6.175  -4.341
  485    H    ASP  68           H        ASP  68  78.550   3.896  -1.094
  486    HA   ASP  68           HA       ASP  68  76.649   2.205   0.274
  487   1HB   ASP  68          2HB       ASP  68  79.325   2.389   0.169
  488   2HB   ASP  68          1HB       ASP  68  79.063   3.322   1.643
  489    H    ASP  69           H        ASP  69  77.853   5.507   0.854
  490    HA   ASP  69           HA       ASP  69  76.484   5.881   3.369
  491   1HB   ASP  69          2HB       ASP  69  77.948   7.473   1.330
  492   2HB   ASP  69          1HB       ASP  69  76.839   8.379   2.361
  493    H    GLU  70           H        GLU  70  75.618   6.437  -0.022
  494    HA   GLU  70           HA       GLU  70  73.174   7.888   0.523
  495   1HB   GLU  70          2HB       GLU  70  74.323   6.375  -1.831
  496   2HB   GLU  70          1HB       GLU  70  72.769   7.206  -1.920
  497   1HG   GLU  70          2HG       GLU  70  74.701   8.968  -0.725
  498   2HG   GLU  70          1HG       GLU  70  75.354   8.339  -2.239
  499    H    ALA  71           H        ALA  71  73.954   4.469  -0.051
  500    HA   ALA  71           HA       ALA  71  71.189   3.567  -0.061
  501   1HB   ALA  71          1HB       ALA  71  73.495   1.820   0.732
  502   2HB   ALA  71          2HB       ALA  71  73.517   2.530  -0.883
  503   3HB   ALA  71          3HB       ALA  71  72.179   1.489  -0.395
  504    H    GLN  72           H        GLN  72  73.548   4.333   2.384
  505    HA   GLN  72           HA       GLN  72  72.363   2.815   4.558
  506   1HB   GLN  72          2HB       GLN  72  74.441   4.883   4.104
  507   2HB   GLN  72          1HB       GLN  72  73.711   4.898   5.710
  508   1HG   GLN  72          2HG       GLN  72  74.319   2.616   6.107
  509   2HG   GLN  72          1HG       GLN  72  74.773   2.378   4.418
  510   1HE2  GLN  72          1HE2      GLN  72  75.599   5.294   6.289
  511   2HE2  GLN  72          2HE2      GLN  72  77.282   5.016   6.292
  512    H    THR  73           H        THR  73  72.123   6.128   3.336
  513    HA   THR  73           HA       THR  73  70.202   7.019   5.327
  514    HB   THR  73           HB       THR  73  70.434   8.216   2.588
  515    HG1  THR  73           HG1      THR  73  72.518   8.112   2.711
  516   1HG2  THR  73          1HG2      THR  73  70.995  10.125   4.503
  517   2HG2  THR  73          2HG2      THR  73  69.876   9.051   5.343
  518   3HG2  THR  73          3HG2      THR  73  69.400   9.805   3.822
  519    H    LEU  74           H        LEU  74  70.119   5.334   2.270
  520    HA   LEU  74           HA       LEU  74  67.306   5.758   1.674
  521   1HB   LEU  74          2HB       LEU  74  69.442   3.777   0.832
  522   2HB   LEU  74          1HB       LEU  74  67.808   3.713   0.188
  523    HG   LEU  74           HG       LEU  74  69.405   6.265   0.113
  524   1HD1  LEU  74          1HD1      LEU  74  69.417   5.125  -2.452
  525   2HD1  LEU  74          2HD1      LEU  74  69.879   3.812  -1.369
  526   3HD1  LEU  74          3HD1      LEU  74  70.804   5.313  -1.379
  527   1HD2  LEU  74          1HD2      LEU  74  67.824   6.882  -1.584
  528   2HD2  LEU  74          2HD2      LEU  74  66.884   6.176  -0.270
  529   3HD2  LEU  74          3HD2      LEU  74  67.226   5.227  -1.717
  530    H    ALA  75           H        ALA  75  69.170   3.458   3.575
  531    HA   ALA  75           HA       ALA  75  67.018   1.548   3.975
  532   1HB   ALA  75          1HB       ALA  75  69.014   1.619   6.071
  533   2HB   ALA  75          2HB       ALA  75  69.788   1.836   4.502
  534   3HB   ALA  75          3HB       ALA  75  68.794   0.414   4.806
  535    H    LYS  76           H        LYS  76  68.514   4.025   6.103
  536    HA   LYS  76           HA       LYS  76  66.558   3.775   8.194
  537   1HB   LYS  76          2HB       LYS  76  67.550   5.955   8.906
  538   2HB   LYS  76          1HB       LYS  76  68.788   4.773   8.480
  539   1HG   LYS  76          2HG       LYS  76  69.275   5.828   6.437
  540   2HG   LYS  76          1HG       LYS  76  67.737   6.694   6.413
  541   1HD   LYS  76          2HD       LYS  76  69.872   7.182   8.504
  542   2HD   LYS  76          1HD       LYS  76  69.750   8.119   7.014
  543   1HE   LYS  76          2HE       LYS  76  67.442   8.784   7.613
  544   2HE   LYS  76          1HE       LYS  76  67.572   7.856   9.120
  545   1HZ   LYS  76          1HZ       LYS  76  68.177  10.252   9.346
  546   2HZ   LYS  76          2HZ       LYS  76  69.498   9.967   8.316
  547   3HZ   LYS  76          3HZ       LYS  76  69.402   9.179   9.819
  548    H    TRP  77           H        TRP  77  66.542   5.337   5.096
  549    HA   TRP  77           HA       TRP  77  64.489   7.311   5.625
  550   1HB   TRP  77          2HB       TRP  77  65.979   7.511   3.730
  551   2HB   TRP  77          1HB       TRP  77  65.526   5.907   3.142
  552    HD1  TRP  77           HD1      TRP  77  63.766   9.270   3.927
  553    HE1  TRP  77           HE1      TRP  77  61.914   9.632   2.171
  554    HE3  TRP  77           HE3      TRP  77  64.216   4.938   1.255
  555    HZ2  TRP  77           HZ2      TRP  77  60.775   8.271  -0.067
  556    HZ3  TRP  77           HZ3      TRP  77  62.734   4.499  -0.682
  557    HH2  TRP  77           HH2      TRP  77  61.015   6.159  -1.345
  558    H    ILE  78           H        ILE  78  64.481   3.992   4.302
  559    HA   ILE  78           HA       ILE  78  61.676   3.813   3.762
  560    HB   ILE  78           HB       ILE  78  63.780   1.762   4.530
  561   1HG1  ILE  78          2HG1      ILE  78  62.686   2.024   1.769
  562   2HG1  ILE  78          1HG1      ILE  78  63.755   3.315   2.319
  563   1HG2  ILE  78          1HG2      ILE  78  61.843   0.545   4.876
  564   2HG2  ILE  78          2HG2      ILE  78  62.045   0.309   3.141
  565   3HG2  ILE  78          3HG2      ILE  78  60.906   1.514   3.740
  566   1HD1  ILE  78          1HD1      ILE  78  64.419   0.603   1.535
  567   2HD1  ILE  78          2HD1      ILE  78  64.993   0.945   3.167
  568   3HD1  ILE  78          3HD1      ILE  78  65.493   1.972   1.822
  569    H    LEU  79           H        LEU  79  63.575   2.783   6.620
  570    HA   LEU  79           HA       LEU  79  61.293   1.903   8.150
  571   1HB   LEU  79          2HB       LEU  79  64.177   2.601   8.660
  572   2HB   LEU  79          1HB       LEU  79  63.108   2.255  10.020
  573    HG   LEU  79           HG       LEU  79  62.531   0.214   8.229
  574   1HD1  LEU  79          1HD1      LEU  79  65.541   0.516   8.355
  575   2HD1  LEU  79          2HD1      LEU  79  64.591   1.022   6.959
  576   3HD1  LEU  79          3HD1      LEU  79  64.612  -0.673   7.441
  577   1HD2  LEU  79          1HD2      LEU  79  62.717  -0.126  10.606
  578   2HD2  LEU  79          2HD2      LEU  79  64.412   0.365  10.602
  579   3HD2  LEU  79          3HD2      LEU  79  63.933  -1.157   9.850
  580    H    SER  80           H        SER  80  62.373   5.033   7.326
  581    HA   SER  80           HA       SER  80  61.097   6.231   9.754
  582   1HB   SER  80          2HB       SER  80  63.481   6.764   9.095
  583   2HB   SER  80          1HB       SER  80  62.843   7.513   7.634
  584    HG   SER  80           HG       SER  80  62.909   8.436  10.198
  585    H    GLN  81           H        GLN  81  60.398   5.497   6.530
  586    HA   GLN  81           HA       GLN  81  59.123   7.749   5.454
  587   1HB   GLN  81          2HB       GLN  81  58.568   4.785   5.414
  588   2HB   GLN  81          1HB       GLN  81  57.538   5.899   4.516
  589   1HG   GLN  81          2HG       GLN  81  60.550   5.714   4.226
  590   2HG   GLN  81          1HG       GLN  81  59.384   4.999   3.114
  591   1HE2  GLN  81          1HE2      GLN  81  60.618   8.114   4.343
  592   2HE2  GLN  81          2HE2      GLN  81  59.998   9.051   3.060
  593    H    LYS  82           H        LYS  82  56.543   7.783   5.269
  594    HA   LYS  82           HA       LYS  82  55.545   8.270   7.992
  595   1HB   LYS  82          2HB       LYS  82  55.209   9.368   5.476
  596   2HB   LYS  82          1HB       LYS  82  53.698   8.489   5.715
  597   1HG   LYS  82          2HG       LYS  82  53.051  10.342   6.861
  598   2HG   LYS  82          1HG       LYS  82  54.033   9.675   8.166
  599   1HD   LYS  82          2HD       LYS  82  54.809  11.907   7.900
  600   2HD   LYS  82          1HD       LYS  82  56.013  10.907   7.085
  601   1HE   LYS  82          2HE       LYS  82  55.615  12.561   5.469
  602   2HE   LYS  82          1HE       LYS  82  54.453  11.316   4.973
  603   1HZ   LYS  82          1HZ       LYS  82  53.960  13.748   6.582
  604   2HZ   LYS  82          2HZ       LYS  82  52.894  12.427   6.628
  605   3HZ   LYS  82          3HZ       LYS  82  53.172  13.247   5.166
  606    HHA  HEM  83           HHA      HEM  83  63.118  -5.100  -1.194
  607    HHB  HEM  83           HHB      HEM  83  65.475   0.804  -0.373
  608    HHC  HEM  83           HHC      HEM  83  64.608   1.806  -6.560
  609    HHD  HEM  83           HHD      HEM  83  61.315  -3.537  -6.995
  610   1HMA  HEM  83          1HMA      HEM  83  65.277  -1.701   2.292
  611   2HMA  HEM  83          2HMA      HEM  83  65.999  -0.386   1.364
  612   3HMA  HEM  83          3HMA      HEM  83  66.841  -1.929   1.510
  613   1HAA  HEM  83          1HAA      HEM  83  64.341  -4.973   1.052
  614   2HAA  HEM  83          2HAA      HEM  83  65.971  -4.339   1.270
  615   1HBA  HEM  83          1HBA      HEM  83  66.217  -4.949  -1.293
  616   2HBA  HEM  83          2HBA      HEM  83  64.876  -6.042  -0.949
  617    H2A  HEM  83          3HBB      HEM  83  67.650   3.528  -6.327
  618   1HMB  HEM  83          1HMB      HEM  83  67.264   3.422  -2.268
  619   2HMB  HEM  83          2HMB      HEM  83  66.684   2.458  -0.909
  620   3HMB  HEM  83          3HMB      HEM  83  65.707   3.790  -1.528
  621    HAB  HEM  83           HAB      HEM  83  65.441   3.328  -5.909
  622   1HBB  HEM  83          1HBB      HEM  83  67.812   2.245  -5.128
  623   2HBB  HEM  83          2HBB      HEM  83  68.028   3.930  -4.652
  624   1HMC  HEM  83          1HMC      HEM  83  62.609   1.255  -9.246
  625   2HMC  HEM  83          2HMC      HEM  83  64.001   0.270  -9.699
  626   3HMC  HEM  83          3HMC      HEM  83  64.190   1.584  -8.539
  627    HAC  HEM  83           HAC      HEM  83  61.073  -2.637  -8.669
  628   1HBC  HEM  83          1HBC      HEM  83  61.772  -1.225 -11.015
  629   2HBC  HEM  83          2HBC      HEM  83  62.179  -2.887 -10.590
  630   1HMD  HEM  83          1HMD      HEM  83  59.816  -6.358  -5.056
  631   2HMD  HEM  83          2HMD      HEM  83  61.086  -6.426  -6.279
  632   3HMD  HEM  83          3HMD      HEM  83  59.945  -5.083  -6.269
  633   1HAD  HEM  83          1HAD      HEM  83  60.543  -7.008  -3.175
  634   2HAD  HEM  83          2HAD      HEM  83  61.172  -6.287  -1.698
  635   1HBD  HEM  83          1HBD      HEM  83  62.574  -8.077  -1.714
  636   2HBD  HEM  83          2HBD      HEM  83  63.485  -7.117  -2.881
  637    H2D  HEM  83          3HBC      HEM  83  63.274  -1.574 -10.162
  Start of MODEL    2
    1   1H    GLU   1          1H        GLU   1  69.374  19.580   1.613
    2   2H    GLU   1          2H        GLU   1  68.601  18.733   2.867
    3   3H    GLU   1          3H        GLU   1  67.697  19.719   1.821
    4    HA   GLU   1           HA       GLU   1  67.610  18.173   0.185
    5   1HB   GLU   1          2HB       GLU   1  70.436  18.077   1.004
    6   2HB   GLU   1          1HB       GLU   1  69.835  16.542   0.377
    7   1HG   GLU   1          2HG       GLU   1  68.948  18.846  -1.204
    8   2HG   GLU   1          1HG       GLU   1  70.702  18.668  -1.167
    9    H    ASP   2           H        ASP   2  65.900  17.050   1.192
   10    HA   ASP   2           HA       ASP   2  66.327  15.279   3.471
   11   1HB   ASP   2          2HB       ASP   2  64.159  16.380   1.844
   12   2HB   ASP   2          1HB       ASP   2  63.867  14.701   2.300
   13    HA   PRO   3           HA       PRO   3  67.447  11.553   1.417
   14   1HB   PRO   3          2HB       PRO   3  65.634   9.935   2.960
   15   2HB   PRO   3          1HB       PRO   3  67.369  10.154   3.202
   16   1HG   PRO   3          2HG       PRO   3  65.221  11.180   4.809
   17   2HG   PRO   3          1HG       PRO   3  66.957  11.386   5.057
   18   1HD   PRO   3          2HD       PRO   3  65.054  13.370   4.197
   19   2HD   PRO   3          1HD       PRO   3  66.812  13.566   4.406
   20    H    GLU   4           H        GLU   4  64.186  12.684   1.543
   21    HA   GLU   4           HA       GLU   4  62.966  10.619  -0.101
   22   1HB   GLU   4          2HB       GLU   4  62.058  12.589   1.489
   23   2HB   GLU   4          1HB       GLU   4  61.984  13.446  -0.052
   24   1HG   GLU   4          2HG       GLU   4  60.950  10.785  -0.403
   25   2HG   GLU   4          1HG       GLU   4  60.132  11.549   0.960
   26    H    VAL   5           H        VAL   5  64.516  13.763  -0.712
   27    HA   VAL   5           HA       VAL   5  63.925  13.956  -3.501
   28    HB   VAL   5           HB       VAL   5  65.997  15.041  -1.608
   29   1HG1  VAL   5          1HG1      VAL   5  66.626  16.544  -3.650
   30   2HG1  VAL   5          2HG1      VAL   5  65.996  15.208  -4.616
   31   3HG1  VAL   5          3HG1      VAL   5  67.355  14.943  -3.522
   32   1HG2  VAL   5          1HG2      VAL   5  63.425  15.777  -2.295
   33   2HG2  VAL   5          2HG2      VAL   5  64.405  16.826  -3.319
   34   3HG2  VAL   5          3HG2      VAL   5  64.623  16.849  -1.569
   35    H    LEU   6           H        LEU   6  66.877  12.754  -1.862
   36    HA   LEU   6           HA       LEU   6  68.184  11.869  -4.243
   37   1HB   LEU   6          2HB       LEU   6  69.724  10.906  -2.737
   38   2HB   LEU   6          1HB       LEU   6  69.005  12.205  -1.787
   39    HG   LEU   6           HG       LEU   6  67.296  10.380  -1.037
   40   1HD1  LEU   6          1HD1      LEU   6  67.653   8.413  -2.121
   41   2HD1  LEU   6          2HD1      LEU   6  68.968   8.201  -0.965
   42   3HD1  LEU   6          3HD1      LEU   6  69.301   8.856  -2.568
   43   1HD2  LEU   6          1HD2      LEU   6  68.540  10.118   0.902
   44   2HD2  LEU   6          2HD2      LEU   6  69.394  11.479   0.173
   45   3HD2  LEU   6          3HD2      LEU   6  70.044   9.847   0.021
   46    H    ALA   7           H        ALA   7  65.810  10.327  -2.134
   47    HA   ALA   7           HA       ALA   7  66.011   7.677  -3.258
   48   1HB   ALA   7          1HB       ALA   7  64.438   9.188  -1.341
   49   2HB   ALA   7          2HB       ALA   7  64.751   7.453  -1.391
   50   3HB   ALA   7          3HB       ALA   7  63.399   8.132  -2.298
   51    H    LYS   8           H        LYS   8  64.498  10.635  -4.306
   52    HA   LYS   8           HA       LYS   8  62.590   9.375  -6.128
   53   1HB   LYS   8          2HB       LYS   8  63.350  12.014  -5.146
   54   2HB   LYS   8          1HB       LYS   8  63.028  12.035  -6.880
   55   1HG   LYS   8          2HG       LYS   8  60.956  10.500  -6.023
   56   2HG   LYS   8          1HG       LYS   8  61.173  11.550  -4.623
   57   1HD   LYS   8          2HD       LYS   8  59.939  13.063  -5.767
   58   2HD   LYS   8          1HD       LYS   8  61.384  13.310  -6.749
   59   1HE   LYS   8          2HE       LYS   8  59.608  11.008  -7.463
   60   2HE   LYS   8          1HE       LYS   8  59.069  12.642  -7.894
   61   1HZ   LYS   8          1HZ       LYS   8  61.161  13.063  -8.961
   62   2HZ   LYS   8          2HZ       LYS   8  60.521  11.624  -9.600
   63   3HZ   LYS   8          3HZ       LYS   8  61.780  11.565  -8.460
   64    H    ASN   9           H        ASN   9  65.654  11.201  -6.568
   65    HA   ASN   9           HA       ASN   9  65.782  10.830  -9.410
   66   1HB   ASN   9          2HB       ASN   9  68.119  11.130  -7.513
   67   2HB   ASN   9          1HB       ASN   9  67.976  11.738  -9.162
   68   1HD2  ASN   9          1HD2      ASN   9  67.431  12.506  -5.848
   69   2HD2  ASN   9          2HD2      ASN   9  66.579  13.962  -6.098
   70    H    LYS  10           H        LYS  10  66.604   8.724  -6.730
   71    HA   LYS  10           HA       LYS  10  68.293   6.956  -8.366
   72   1HB   LYS  10          2HB       LYS  10  67.086   6.727  -5.586
   73   2HB   LYS  10          1HB       LYS  10  68.323   5.652  -6.248
   74   1HG   LYS  10          2HG       LYS  10  68.672   8.651  -6.026
   75   2HG   LYS  10          1HG       LYS  10  69.231   7.516  -4.796
   76   1HD   LYS  10          2HD       LYS  10  70.588   6.356  -6.529
   77   2HD   LYS  10          1HD       LYS  10  70.079   7.566  -7.705
   78   1HE   LYS  10          2HE       LYS  10  71.128   8.768  -5.239
   79   2HE   LYS  10          1HE       LYS  10  72.327   7.778  -6.094
   80   1HZ   LYS  10          1HZ       LYS  10  70.724   9.286  -7.910
   81   2HZ   LYS  10          2HZ       LYS  10  72.415   9.238  -7.753
   82   3HZ   LYS  10          3HZ       LYS  10  71.501  10.307  -6.800
   83    H    GLY  11           H        GLY  11  64.950   7.411  -7.828
   84   1HA   GLY  11          2HA       GLY  11  63.186   6.229  -8.901
   85   2HA   GLY  11          1HA       GLY  11  64.338   4.971  -9.349
   86    H    CYS  12           H        CYS  12  64.525   5.878  -6.053
   87    HA   CYS  12           HA       CYS  12  63.790   3.263  -5.134
   88   1HB   CYS  12          2HB       CYS  12  63.882   5.897  -3.638
   89   2HB   CYS  12          1HB       CYS  12  64.017   4.293  -2.922
   90    H    MET  13           H        MET  13  61.956   6.245  -5.519
   91    HA   MET  13           HA       MET  13  59.606   5.163  -4.108
   92   1HB   MET  13          2HB       MET  13  60.322   7.724  -5.554
   93   2HB   MET  13          1HB       MET  13  58.705   7.433  -4.907
   94   1HG   MET  13          2HG       MET  13  60.158   6.762  -2.740
   95   2HG   MET  13          1HG       MET  13  61.258   7.931  -3.466
   96   1HE   MET  13          1HE       MET  13  57.926   6.973  -2.370
   97   2HE   MET  13          2HE       MET  13  57.046   8.424  -1.894
   98   3HE   MET  13          3HE       MET  13  58.342   7.815  -0.870
   99    H    ALA  14           H        ALA  14  60.875   4.457  -7.022
  100    HA   ALA  14           HA       ALA  14  58.552   4.821  -8.756
  101   1HB   ALA  14          1HB       ALA  14  60.086   4.298 -10.355
  102   2HB   ALA  14          2HB       ALA  14  60.616   2.855  -9.489
  103   3HB   ALA  14          3HB       ALA  14  61.264   4.435  -9.049
  104    H    CYS  15           H        CYS  15  60.103   2.058  -7.123
  105    HA   CYS  15           HA       CYS  15  57.786   0.330  -7.857
  106   1HB   CYS  15          2HB       CYS  15  60.522  -0.203  -6.660
  107   2HB   CYS  15          1HB       CYS  15  59.352  -1.449  -7.086
  108    H    HIS  16           H        HIS  16  59.179   2.034  -5.158
  109    HA   HIS  16           HA       HIS  16  57.863   0.278  -3.173
  110   1HB   HIS  16          2HB       HIS  16  59.869   2.479  -3.236
  111   2HB   HIS  16          1HB       HIS  16  58.962   2.256  -1.737
  112    HD1  HIS  16           HD1      HIS  16  58.730  -0.710  -1.464
  113    HD2  HIS  16           HD2      HIS  16  62.222   1.089  -2.860
  114    HE1  HIS  16           HE1      HIS  16  60.601  -2.368  -1.061
  115    H    ALA  17           H        ALA  17  56.640   1.345  -1.394
  116    HA   ALA  17           HA       ALA  17  55.133   3.803  -2.109
  117   1HB   ALA  17          1HB       ALA  17  54.220   1.099  -2.466
  118   2HB   ALA  17          2HB       ALA  17  53.334   2.593  -2.770
  119   3HB   ALA  17          3HB       ALA  17  53.276   1.843  -1.174
  120    H    ILE  18           H        ILE  18  55.296   4.997  -0.240
  121    HA   ILE  18           HA       ILE  18  56.313   4.358   2.214
  122    HB   ILE  18           HB       ILE  18  53.892   6.085   1.588
  123   1HG1  ILE  18          2HG1      ILE  18  56.208   7.616   2.060
  124   2HG1  ILE  18          1HG1      ILE  18  56.732   6.287   1.025
  125   1HG2  ILE  18          1HG2      ILE  18  55.743   6.694   3.843
  126   2HG2  ILE  18          2HG2      ILE  18  54.600   5.372   4.086
  127   3HG2  ILE  18          3HG2      ILE  18  54.010   6.989   3.700
  128   1HD1  ILE  18          1HD1      ILE  18  55.977   8.134  -0.374
  129   2HD1  ILE  18          2HD1      ILE  18  54.439   8.199   0.488
  130   3HD1  ILE  18          3HD1      ILE  18  54.830   6.802  -0.516
  131    H    ASP  19           H        ASP  19  53.145   3.372   1.032
  132    HA   ASP  19           HA       ASP  19  52.881   1.604   3.412
  133   1HB   ASP  19          2HB       ASP  19  50.511   2.441   3.691
  134   2HB   ASP  19          1HB       ASP  19  51.745   3.643   4.067
  135    H    THR  20           H        THR  20  51.661   2.597   0.230
  136    HA   THR  20           HA       THR  20  49.952   0.304  -0.184
  137    HB   THR  20           HB       THR  20  50.501   1.116  -2.668
  138    HG1  THR  20           HG1      THR  20  51.251   3.231  -2.646
  139   1HG2  THR  20          1HG2      THR  20  48.377   1.721  -2.170
  140   2HG2  THR  20          2HG2      THR  20  49.072   3.303  -1.816
  141   3HG2  THR  20          3HG2      THR  20  48.792   2.150  -0.510
  142    H    LYS  21           H        LYS  21  50.592  -1.110  -2.298
  143    HA   LYS  21           HA       LYS  21  53.417  -2.021  -1.948
  144   1HB   LYS  21          2HB       LYS  21  51.806  -3.457  -0.750
  145   2HB   LYS  21          1HB       LYS  21  50.894  -3.678  -2.244
  146   1HG   LYS  21          2HG       LYS  21  53.305  -4.428  -3.144
  147   2HG   LYS  21          1HG       LYS  21  53.526  -4.831  -1.440
  148   1HD   LYS  21          2HD       LYS  21  50.962  -5.771  -2.053
  149   2HD   LYS  21          1HD       LYS  21  51.937  -6.198  -3.460
  150   1HE   LYS  21          2HE       LYS  21  53.424  -7.516  -2.188
  151   2HE   LYS  21          1HE       LYS  21  52.947  -6.739  -0.664
  152   1HZ   LYS  21          1HZ       LYS  21  51.129  -8.346  -2.379
  153   2HZ   LYS  21          2HZ       LYS  21  50.759  -7.673  -0.863
  154   3HZ   LYS  21          3HZ       LYS  21  51.892  -8.934  -0.982
  155    H    MET  22           H        MET  22  53.978  -0.885  -3.925
  156    HA   MET  22           HA       MET  22  52.546  -1.431  -6.415
  157   1HB   MET  22          2HB       MET  22  54.914   0.112  -5.447
  158   2HB   MET  22          1HB       MET  22  54.840  -0.258  -7.173
  159   1HG   MET  22          2HG       MET  22  53.253   1.306  -7.499
  160   2HG   MET  22          1HG       MET  22  52.251   0.621  -6.220
  161   1HE   MET  22          1HE       MET  22  53.883   3.729  -7.360
  162   2HE   MET  22          2HE       MET  22  55.301   2.713  -7.105
  163   3HE   MET  22          3HE       MET  22  55.076   4.163  -6.128
  164    H    VAL  23           H        VAL  23  55.992  -1.612  -6.665
  165    HA   VAL  23           HA       VAL  23  55.761  -4.416  -7.610
  166    HB   VAL  23           HB       VAL  23  57.837  -2.221  -7.886
  167   1HG1  VAL  23          1HG1      VAL  23  57.963  -4.746  -9.482
  168   2HG1  VAL  23          2HG1      VAL  23  58.554  -4.794  -7.821
  169   3HG1  VAL  23          3HG1      VAL  23  59.267  -3.671  -8.979
  170   1HG2  VAL  23          1HG2      VAL  23  57.168  -2.458 -10.317
  171   2HG2  VAL  23          2HG2      VAL  23  55.891  -1.841  -9.267
  172   3HG2  VAL  23          3HG2      VAL  23  55.867  -3.526  -9.787
  173    H    GLY  24           H        GLY  24  57.165  -2.444  -5.100
  174   1HA   GLY  24          2HA       GLY  24  58.498  -4.871  -3.969
  175   2HA   GLY  24          1HA       GLY  24  59.138  -3.236  -3.750
  176    HA   PRO  25           HA       PRO  25  56.133  -4.459  -0.303
  177   1HB   PRO  25          2HB       PRO  25  58.311  -4.230   1.562
  178   2HB   PRO  25          1HB       PRO  25  57.399  -5.679   1.129
  179   1HG   PRO  25          2HG       PRO  25  60.102  -5.117   0.479
  180   2HG   PRO  25          1HG       PRO  25  59.125  -6.466  -0.105
  181   1HD   PRO  25          2HD       PRO  25  59.981  -4.068  -1.553
  182   2HD   PRO  25          1HD       PRO  25  59.242  -5.558  -2.192
  183    H    ALA  26           H        ALA  26  55.091  -2.712   0.636
  184    HA   ALA  26           HA       ALA  26  55.745  -0.034   0.269
  185   1HB   ALA  26          1HB       ALA  26  54.566  -0.579   2.895
  186   2HB   ALA  26          2HB       ALA  26  53.838  -1.552   1.617
  187   3HB   ALA  26          3HB       ALA  26  53.846   0.207   1.491
  188    H    TYR  27           H        TYR  27  56.864   1.540   1.581
  189    HA   TYR  27           HA       TYR  27  59.300   0.695   2.793
  190   1HB   TYR  27          2HB       TYR  27  57.629   3.204   2.762
  191   2HB   TYR  27          1HB       TYR  27  59.143   3.149   3.655
  192    HD1  TYR  27           HD1      TYR  27  60.801   1.400   1.936
  193    HD2  TYR  27           HD2      TYR  27  58.076   4.550   0.884
  194    HE1  TYR  27           HE1      TYR  27  62.056   1.785  -0.167
  195    HE2  TYR  27           HE2      TYR  27  59.329   4.934  -1.218
  196    HH   TYR  27           HH       TYR  27  61.097   4.370  -2.430
  197    H    LYS  28           H        LYS  28  56.543   2.277   4.470
  198    HA   LYS  28           HA       LYS  28  57.295   1.762   7.109
  199   1HB   LYS  28          2HB       LYS  28  55.079   2.706   5.723
  200   2HB   LYS  28          1HB       LYS  28  54.448   1.299   6.583
  201   1HG   LYS  28          2HG       LYS  28  55.961   2.457   8.536
  202   2HG   LYS  28          1HG       LYS  28  55.417   3.882   7.649
  203   1HD   LYS  28          2HD       LYS  28  53.368   1.796   8.208
  204   2HD   LYS  28          1HD       LYS  28  53.935   2.740   9.586
  205   1HE   LYS  28          2HE       LYS  28  53.428   4.838   8.328
  206   2HE   LYS  28          1HE       LYS  28  52.766   3.854   7.010
  207   1HZ   LYS  28          1HZ       LYS  28  51.660   2.820   9.301
  208   2HZ   LYS  28          2HZ       LYS  28  50.875   3.800   8.158
  209   3HZ   LYS  28          3HZ       LYS  28  51.591   4.500   9.530
  210    H    ASP  29           H        ASP  29  55.441  -0.368   4.935
  211    HA   ASP  29           HA       ASP  29  54.941  -2.531   6.655
  212   1HB   ASP  29          2HB       ASP  29  55.421  -2.122   3.733
  213   2HB   ASP  29          1HB       ASP  29  55.378  -3.784   4.325
  214    H    VAL  30           H        VAL  30  57.864  -1.960   4.654
  215    HA   VAL  30           HA       VAL  30  59.308  -4.296   5.375
  216    HB   VAL  30           HB       VAL  30  60.251  -1.477   4.762
  217   1HG1  VAL  30          1HG1      VAL  30  61.825  -3.421   5.742
  218   2HG1  VAL  30          2HG1      VAL  30  62.386  -2.293   4.508
  219   3HG1  VAL  30          3HG1      VAL  30  61.829  -3.901   4.044
  220   1HG2  VAL  30          1HG2      VAL  30  58.844  -3.387   3.193
  221   2HG2  VAL  30          2HG2      VAL  30  60.508  -3.365   2.607
  222   3HG2  VAL  30          3HG2      VAL  30  59.569  -1.873   2.651
  223    H    ALA  31           H        ALA  31  58.931  -1.201   7.041
  224    HA   ALA  31           HA       ALA  31  60.946  -1.734   9.070
  225   1HB   ALA  31          1HB       ALA  31  60.477   0.430   9.630
  226   2HB   ALA  31          2HB       ALA  31  58.736   0.147   9.632
  227   3HB   ALA  31          3HB       ALA  31  59.582   0.436   8.110
  228    H    ALA  32           H        ALA  32  57.524  -2.424   8.700
  229    HA   ALA  32           HA       ALA  32  56.995  -2.944  11.508
  230   1HB   ALA  32          1HB       ALA  32  55.518  -4.060   9.119
  231   2HB   ALA  32          2HB       ALA  32  55.405  -2.355   9.557
  232   3HB   ALA  32          3HB       ALA  32  54.859  -3.595  10.687
  233    H    LYS  33           H        LYS  33  58.203  -4.838   8.805
  234    HA   LYS  33           HA       LYS  33  57.862  -7.408  10.195
  235   1HB   LYS  33          2HB       LYS  33  57.604  -7.517   7.864
  236   2HB   LYS  33          1HB       LYS  33  58.941  -6.404   7.572
  237   1HG   LYS  33          2HG       LYS  33  59.694  -8.612   6.956
  238   2HG   LYS  33          1HG       LYS  33  60.502  -8.185   8.463
  239   1HD   LYS  33          2HD       LYS  33  58.657  -9.406   9.690
  240   2HD   LYS  33          1HD       LYS  33  58.093  -9.989   8.123
  241   1HE   LYS  33          2HE       LYS  33  59.549 -11.717   8.456
  242   2HE   LYS  33          1HE       LYS  33  60.818 -10.545   8.050
  243   1HZ   LYS  33          1HZ       LYS  33  61.340 -11.385  10.188
  244   2HZ   LYS  33          2HZ       LYS  33  59.744 -11.191  10.739
  245   3HZ   LYS  33          3HZ       LYS  33  60.711  -9.829  10.432
  246    H    TYR  34           H        TYR  34  60.501  -5.147   9.429
  247    HA   TYR  34           HA       TYR  34  62.447  -6.896  10.848
  248   1HB   TYR  34          2HB       TYR  34  62.542  -4.523   8.996
  249   2HB   TYR  34          1HB       TYR  34  63.965  -4.950   9.953
  250    HD1  TYR  34           HD1      TYR  34  62.856  -5.249   6.797
  251    HD2  TYR  34           HD2      TYR  34  63.990  -7.824  10.045
  252    HE1  TYR  34           HE1      TYR  34  63.405  -7.048   5.180
  253    HE2  TYR  34           HE2      TYR  34  64.536  -9.623   8.428
  254    HH   TYR  34           HH       TYR  34  63.713 -10.184   5.954
  255    H    ALA  35           H        ALA  35  60.310  -4.425  11.613
  256    HA   ALA  35           HA       ALA  35  61.711  -2.587  13.205
  257   1HB   ALA  35          1HB       ALA  35  59.491  -2.069  13.179
  258   2HB   ALA  35          2HB       ALA  35  59.402  -3.084  14.619
  259   3HB   ALA  35          3HB       ALA  35  59.010  -3.759  13.037
  260    H    GLY  36           H        GLY  36  63.499  -3.700  14.250
  261   1HA   GLY  36          2HA       GLY  36  63.762  -4.234  16.765
  262   2HA   GLY  36          1HA       GLY  36  62.690  -5.591  16.419
  263    H    GLN  37           H        GLN  37  65.762  -4.173  15.248
  264    HA   GLN  37           HA       GLN  37  66.897  -6.928  15.174
  265   1HB   GLN  37          2HB       GLN  37  66.285  -5.095  12.919
  266   2HB   GLN  37          1HB       GLN  37  67.857  -5.893  12.851
  267   1HG   GLN  37          2HG       GLN  37  66.061  -7.897  13.650
  268   2HG   GLN  37          1HG       GLN  37  65.221  -7.010  12.380
  269   1HE2  GLN  37          1HE2      GLN  37  65.958  -7.270  10.223
  270   2HE2  GLN  37          2HE2      GLN  37  67.297  -8.238   9.799
  271    H    ALA  38           H        ALA  38  69.198  -6.935  15.403
  272    HA   ALA  38           HA       ALA  38  70.322  -4.463  16.558
  273   1HB   ALA  38          1HB       ALA  38  70.470  -6.834  17.511
  274   2HB   ALA  38          2HB       ALA  38  71.995  -5.951  17.412
  275   3HB   ALA  38          3HB       ALA  38  71.607  -7.180  16.209
  276    H    GLY  39           H        GLY  39  69.852  -4.390  13.697
  277   1HA   GLY  39          2HA       GLY  39  71.922  -3.113  12.572
  278   2HA   GLY  39          1HA       GLY  39  72.517  -4.771  12.473
  279    H    ALA  40           H        ALA  40  69.269  -3.354  11.967
  280    HA   ALA  40           HA       ALA  40  68.899  -5.035   9.589
  281   1HB   ALA  40          1HB       ALA  40  66.644  -4.389   9.813
  282   2HB   ALA  40          2HB       ALA  40  67.071  -2.844  10.549
  283   3HB   ALA  40          3HB       ALA  40  67.229  -4.336  11.477
  284    H    GLU  41           H        GLU  41  69.176  -1.561  10.314
  285    HA   GLU  41           HA       GLU  41  68.767  -0.564   7.675
  286   1HB   GLU  41          2HB       GLU  41  70.644   0.522   9.800
  287   2HB   GLU  41          1HB       GLU  41  69.771   1.443   8.575
  288   1HG   GLU  41          2HG       GLU  41  68.162   1.729  10.136
  289   2HG   GLU  41          1HG       GLU  41  67.759   0.032   9.872
  290    H    ALA  42           H        ALA  42  71.711  -1.766   9.291
  291    HA   ALA  42           HA       ALA  42  73.602  -1.037   7.284
  292   1HB   ALA  42          1HB       ALA  42  74.008  -3.631   8.613
  293   2HB   ALA  42          2HB       ALA  42  73.557  -2.339   9.726
  294   3HB   ALA  42          3HB       ALA  42  74.984  -2.164   8.704
  295    H    TYR  43           H        TYR  43  71.726  -4.055   7.720
  296    HA   TYR  43           HA       TYR  43  72.686  -5.286   5.276
  297   1HB   TYR  43          2HB       TYR  43  71.713  -6.377   7.365
  298   2HB   TYR  43          1HB       TYR  43  70.131  -5.791   6.846
  299    HD1  TYR  43           HD1      TYR  43  68.825  -7.412   5.830
  300    HD2  TYR  43           HD2      TYR  43  73.071  -7.446   5.179
  301    HE1  TYR  43           HE1      TYR  43  68.582  -9.386   4.351
  302    HE2  TYR  43           HE2      TYR  43  72.829  -9.422   3.698
  303    HH   TYR  43           HH       TYR  43  69.616 -10.758   2.935
  304    H    LEU  44           H        LEU  44  70.281  -2.925   6.027
  305    HA   LEU  44           HA       LEU  44  68.605  -3.308   3.678
  306   1HB   LEU  44          2HB       LEU  44  69.080  -1.187   5.778
  307   2HB   LEU  44          1HB       LEU  44  68.016  -0.855   4.410
  308    HG   LEU  44           HG       LEU  44  67.711  -3.283   6.193
  309   1HD1  LEU  44          1HD1      LEU  44  65.578  -1.579   6.687
  310   2HD1  LEU  44          2HD1      LEU  44  66.961  -0.486   6.628
  311   3HD1  LEU  44          3HD1      LEU  44  66.953  -1.838   7.760
  312   1HD2  LEU  44          1HD2      LEU  44  65.752  -3.699   5.011
  313   2HD2  LEU  44          2HD2      LEU  44  66.751  -3.003   3.735
  314   3HD2  LEU  44          3HD2      LEU  44  65.547  -2.008   4.555
  315    H    ALA  45           H        ALA  45  71.465  -1.439   4.529
  316    HA   ALA  45           HA       ALA  45  71.565   0.073   2.046
  317   1HB   ALA  45          1HB       ALA  45  73.997   0.371   3.016
  318   2HB   ALA  45          2HB       ALA  45  73.328  -0.451   4.426
  319   3HB   ALA  45          3HB       ALA  45  72.631   1.075   3.883
  320    H    GLN  46           H        GLN  46  72.888  -2.988   3.247
  321    HA   GLN  46           HA       GLN  46  74.706  -3.348   0.986
  322   1HB   GLN  46          2HB       GLN  46  74.151  -4.487   3.531
  323   2HB   GLN  46          1HB       GLN  46  73.956  -5.778   2.347
  324   1HG   GLN  46          2HG       GLN  46  76.198  -5.049   1.373
  325   2HG   GLN  46          1HG       GLN  46  76.394  -4.052   2.816
  326   1HE2  GLN  46          1HE2      GLN  46  77.122  -5.085   4.704
  327   2HE2  GLN  46          2HE2      GLN  46  77.287  -6.776   4.866
  328    H    ARG  47           H        ARG  47  71.375  -4.154   1.733
  329    HA   ARG  47           HA       ARG  47  71.120  -5.994  -0.557
  330   1HB   ARG  47          2HB       ARG  47  69.211  -4.824   1.494
  331   2HB   ARG  47          1HB       ARG  47  68.722  -5.989   0.263
  332   1HG   ARG  47          2HG       ARG  47  71.123  -6.794   1.759
  333   2HG   ARG  47          1HG       ARG  47  69.677  -6.651   2.760
  334   1HD   ARG  47          2HD       ARG  47  69.784  -8.925   1.870
  335   2HD   ARG  47          1HD       ARG  47  68.457  -8.074   1.056
  336    HE   ARG  47           HE       ARG  47  69.716  -8.142  -0.942
  337   1HH1  ARG  47          1HH1      ARG  47  71.690  -8.691   1.841
  338   2HH1  ARG  47          2HH1      ARG  47  73.110  -9.054   0.919
  339   1HH2  ARG  47          1HH2      ARG  47  71.564  -8.611  -2.148
  340   2HH2  ARG  47          2HH2      ARG  47  73.040  -9.007  -1.334
  341    H    ILE  48           H        ILE  48  70.839  -2.624   0.090
  342    HA   ILE  48           HA       ILE  48  68.997  -2.097  -2.154
  343    HB   ILE  48           HB       ILE  48  70.506  -0.450  -0.118
  344   1HG1  ILE  48          2HG1      ILE  48  67.530  -0.677  -0.629
  345   2HG1  ILE  48          1HG1      ILE  48  68.385  -1.762   0.466
  346   1HG2  ILE  48          1HG2      ILE  48  69.287   0.364  -2.679
  347   2HG2  ILE  48          2HG2      ILE  48  70.455   1.214  -1.668
  348   3HG2  ILE  48          3HG2      ILE  48  68.736   1.289  -1.283
  349   1HD1  ILE  48          1HD1      ILE  48  69.133   0.976   1.009
  350   2HD1  ILE  48          2HD1      ILE  48  68.389  -0.201   2.090
  351   3HD1  ILE  48          3HD1      ILE  48  67.379   0.810   1.057
  352    H    LYS  49           H        LYS  49  72.451  -2.032  -1.447
  353    HA   LYS  49           HA       LYS  49  73.144  -0.529  -3.862
  354   1HB   LYS  49          2HB       LYS  49  74.498  -0.419  -1.835
  355   2HB   LYS  49          1HB       LYS  49  74.722  -2.169  -1.852
  356   1HG   LYS  49          2HG       LYS  49  75.798  -1.889  -4.142
  357   2HG   LYS  49          1HG       LYS  49  75.793  -0.152  -3.839
  358   1HD   LYS  49          2HD       LYS  49  76.911  -0.912  -1.542
  359   2HD   LYS  49          1HD       LYS  49  77.390  -2.305  -2.514
  360   1HE   LYS  49          2HE       LYS  49  78.448  -0.829  -4.168
  361   2HE   LYS  49          1HE       LYS  49  77.921   0.597  -3.252
  362   1HZ   LYS  49          1HZ       LYS  49  80.248  -0.347  -2.776
  363   2HZ   LYS  49          2HZ       LYS  49  79.426  -1.573  -1.935
  364   3HZ   LYS  49          3HZ       LYS  49  79.259   0.048  -1.457
  365    H    ASN  50           H        ASN  50  72.560  -3.876  -3.055
  366    HA   ASN  50           HA       ASN  50  73.653  -4.677  -5.739
  367   1HB   ASN  50          2HB       ASN  50  73.334  -6.334  -3.217
  368   2HB   ASN  50          1HB       ASN  50  74.153  -6.825  -4.700
  369   1HD2  ASN  50          1HD2      ASN  50  76.363  -6.823  -4.266
  370   2HD2  ASN  50          2HD2      ASN  50  77.194  -5.575  -3.452
  371    H    GLY  51           H        GLY  51  70.911  -4.566  -3.651
  372   1HA   GLY  51          2HA       GLY  51  68.710  -5.371  -3.853
  373   2HA   GLY  51          1HA       GLY  51  68.986  -5.232  -5.590
  374    H    SER  52           H        SER  52  67.393  -7.332  -4.753
  375    HA   SER  52           HA       SER  52  68.489  -9.646  -5.910
  376   1HB   SER  52          2HB       SER  52  69.555  -9.014  -3.267
  377   2HB   SER  52          1HB       SER  52  68.849 -10.625  -3.322
  378    HG   SER  52           HG       SER  52  70.358 -11.245  -4.680
  379    H    GLN  53           H        GLN  53  67.322 -11.704  -5.237
  380    HA   GLN  53           HA       GLN  53  64.551 -11.044  -4.374
  381   1HB   GLN  53          2HB       GLN  53  63.907 -12.872  -5.669
  382   2HB   GLN  53          1HB       GLN  53  65.339 -12.332  -6.528
  383   1HG   GLN  53          2HG       GLN  53  65.265 -14.571  -4.486
  384   2HG   GLN  53          1HG       GLN  53  65.352 -14.776  -6.231
  385   1HE2  GLN  53          1HE2      GLN  53  67.240 -14.315  -3.390
  386   2HE2  GLN  53          2HE2      GLN  53  68.736 -14.039  -4.163
  387    H    GLY  54           H        GLY  54  63.799 -13.634  -3.480
  388   1HA   GLY  54          2HA       GLY  54  63.784 -14.910  -1.503
  389   2HA   GLY  54          1HA       GLY  54  65.534 -14.665  -1.441
  390    H    VAL  55           H        VAL  55  63.612 -11.847  -1.691
  391    HA   VAL  55           HA       VAL  55  64.347 -11.058   1.081
  392    HB   VAL  55           HB       VAL  55  63.160  -9.435  -1.192
  393   1HG1  VAL  55          1HG1      VAL  55  63.449  -8.650   1.324
  394   2HG1  VAL  55          2HG1      VAL  55  63.828  -7.563  -0.013
  395   3HG1  VAL  55          3HG1      VAL  55  65.124  -8.421   0.821
  396   1HG2  VAL  55          1HG2      VAL  55  65.085 -10.360  -2.188
  397   2HG2  VAL  55          2HG2      VAL  55  65.989 -10.337  -0.674
  398   3HG2  VAL  55          3HG2      VAL  55  65.665  -8.829  -1.531
  399    H    TRP  56           H        TRP  56  61.552 -10.330  -1.019
  400    HA   TRP  56           HA       TRP  56  59.741 -10.883   1.301
  401   1HB   TRP  56          2HB       TRP  56  59.647  -8.911  -1.003
  402   2HB   TRP  56          1HB       TRP  56  58.333  -9.143   0.145
  403    HD1  TRP  56           HD1      TRP  56  61.875  -7.781  -0.137
  404    HE1  TRP  56           HE1      TRP  56  62.379  -6.325   1.931
  405    HE3  TRP  56           HE3      TRP  56  57.716  -8.748   2.672
  406    HZ2  TRP  56           HZ2      TRP  56  61.187  -5.661   4.434
  407    HZ3  TRP  56           HZ3      TRP  56  57.432  -7.686   4.895
  408    HH2  TRP  56           HH2      TRP  56  59.159  -6.145   5.772
  409    H    GLY  57           H        GLY  57  60.214 -11.032  -2.201
  410   1HA   GLY  57          2HA       GLY  57  58.518 -13.440  -2.345
  411   2HA   GLY  57          1HA       GLY  57  57.975 -12.056  -3.299
  412    HA   PRO  58           HA       PRO  58  61.002 -14.526  -5.843
  413   1HB   PRO  58          2HB       PRO  58  59.099 -14.337  -7.990
  414   2HB   PRO  58          1HB       PRO  58  59.580 -15.776  -7.087
  415   1HG   PRO  58          2HG       PRO  58  57.063 -14.478  -6.994
  416   2HG   PRO  58          1HG       PRO  58  57.618 -15.789  -5.950
  417   1HD   PRO  58          2HD       PRO  58  57.293 -12.940  -5.315
  418   2HD   PRO  58          1HD       PRO  58  57.541 -14.314  -4.208
  419    H    ILE  59           H        ILE  59  60.164 -11.390  -5.592
  420    HA   ILE  59           HA       ILE  59  61.167 -10.602  -8.295
  421    HB   ILE  59           HB       ILE  59  59.764  -8.954  -6.177
  422   1HG1  ILE  59          2HG1      ILE  59  58.669 -10.616  -8.463
  423   2HG1  ILE  59          1HG1      ILE  59  58.265 -10.747  -6.750
  424   1HG2  ILE  59          1HG2      ILE  59  61.045  -8.295  -8.609
  425   2HG2  ILE  59          2HG2      ILE  59  60.015  -7.252  -7.628
  426   3HG2  ILE  59          3HG2      ILE  59  59.314  -8.212  -8.931
  427   1HD1  ILE  59          1HD1      ILE  59  56.457  -9.519  -7.597
  428   2HD1  ILE  59          2HD1      ILE  59  57.474  -8.611  -8.716
  429   3HD1  ILE  59          3HD1      ILE  59  57.525  -8.253  -6.990
  430    HA   PRO  60           HA       PRO  60  64.834  -9.772  -5.660
  431   1HB   PRO  60          2HB       PRO  60  66.294  -9.562  -8.130
  432   2HB   PRO  60          1HB       PRO  60  66.368 -10.866  -6.945
  433   1HG   PRO  60          2HG       PRO  60  65.206 -10.940  -9.561
  434   2HG   PRO  60          1HG       PRO  60  65.251 -12.237  -8.366
  435   1HD   PRO  60          2HD       PRO  60  62.973 -10.660  -9.198
  436   2HD   PRO  60          1HD       PRO  60  63.013 -11.991  -8.017
  437    H    MET  61           H        MET  61  65.263  -7.635  -5.072
  438    HA   MET  61           HA       MET  61  64.318  -5.420  -6.659
  439   1HB   MET  61          2HB       MET  61  64.514  -5.331  -4.236
  440   2HB   MET  61          1HB       MET  61  66.244  -5.669  -4.326
  441   1HG   MET  61          2HG       MET  61  65.593  -3.410  -6.008
  442   2HG   MET  61          1HG       MET  61  65.002  -3.139  -4.369
  443   1HE   MET  61          1HE       MET  61  65.979  -3.462  -2.481
  444   2HE   MET  61          2HE       MET  61  67.007  -2.033  -2.444
  445   3HE   MET  61          3HE       MET  61  67.686  -3.611  -2.054
  446    HA   PRO  62           HA       PRO  62  67.829  -5.400  -9.433
  447   1HB   PRO  62          2HB       PRO  62  67.198  -2.698 -10.185
  448   2HB   PRO  62          1HB       PRO  62  66.860  -4.181 -11.085
  449   1HG   PRO  62          2HG       PRO  62  64.984  -2.486  -9.736
  450   2HG   PRO  62          1HG       PRO  62  64.655  -3.987 -10.608
  451   1HD   PRO  62          2HD       PRO  62  64.605  -3.538  -7.750
  452   2HD   PRO  62          1HD       PRO  62  64.228  -5.037  -8.633
  453    HA   PRO  63           HA       PRO  63  70.623  -3.382  -6.567
  454   1HB   PRO  63          2HB       PRO  63  72.692  -3.422  -8.560
  455   2HB   PRO  63          1HB       PRO  63  72.502  -4.487  -7.165
  456   1HG   PRO  63          2HG       PRO  63  72.058  -5.105  -9.950
  457   2HG   PRO  63          1HG       PRO  63  71.960  -6.187  -8.559
  458   1HD   PRO  63          2HD       PRO  63  69.786  -5.199 -10.135
  459   2HD   PRO  63          1HD       PRO  63  69.679  -6.166  -8.642
  460    H    ASN  64           H        ASN  64  71.423  -1.221  -6.354
  461    HA   ASN  64           HA       ASN  64  70.821   0.574  -8.683
  462   1HB   ASN  64          2HB       ASN  64  70.566   0.991  -5.688
  463   2HB   ASN  64          1HB       ASN  64  70.200   2.212  -6.909
  464   1HD2  ASN  64          1HD2      ASN  64  69.183  -0.988  -5.682
  465   2HD2  ASN  64          2HD2      ASN  64  67.618  -0.931  -6.358
  466    H    ALA  65           H        ALA  65  72.120   2.605  -8.694
  467    HA   ALA  65           HA       ALA  65  74.943   2.058  -7.995
  468   1HB   ALA  65          1HB       ALA  65  74.003   2.945 -10.224
  469   2HB   ALA  65          2HB       ALA  65  75.380   3.816  -9.552
  470   3HB   ALA  65          3HB       ALA  65  73.753   4.472  -9.378
  471    H    VAL  66           H        VAL  66  73.085   2.594  -5.803
  472    HA   VAL  66           HA       VAL  66  73.535   5.374  -4.947
  473    HB   VAL  66           HB       VAL  66  72.333   4.475  -2.893
  474   1HG1  VAL  66          1HG1      VAL  66  70.226   3.841  -4.316
  475   2HG1  VAL  66          2HG1      VAL  66  71.247   4.261  -5.691
  476   3HG1  VAL  66          3HG1      VAL  66  70.894   5.466  -4.453
  477   1HG2  VAL  66          1HG2      VAL  66  71.985   2.250  -2.619
  478   2HG2  VAL  66          2HG2      VAL  66  73.246   2.040  -3.834
  479   3HG2  VAL  66          3HG2      VAL  66  71.548   2.024  -4.313
  480    H    SER  67           H        SER  67  75.635   5.826  -4.324
  481    HA   SER  67           HA       SER  67  77.687   4.180  -3.485
  482   1HB   SER  67          2HB       SER  67  78.624   6.160  -2.588
  483   2HB   SER  67          1HB       SER  67  77.462   6.764  -3.766
  484    HG   SER  67           HG       SER  67  76.657   7.787  -2.118
  485    H    ASP  68           H        ASP  68  78.386   3.378  -1.388
  486    HA   ASP  68           HA       ASP  68  76.540   2.090   0.232
  487   1HB   ASP  68          2HB       ASP  68  79.110   2.025   0.170
  488   2HB   ASP  68          1HB       ASP  68  79.061   3.389   1.288
  489    H    ASP  69           H        ASP  69  77.897   5.355   0.861
  490    HA   ASP  69           HA       ASP  69  76.436   5.874   3.252
  491   1HB   ASP  69          2HB       ASP  69  78.376   7.090   1.825
  492   2HB   ASP  69          1HB       ASP  69  77.004   8.086   1.338
  493    H    GLU  70           H        GLU  70  75.550   6.294  -0.158
  494    HA   GLU  70           HA       GLU  70  73.133   7.793   0.325
  495   1HB   GLU  70          2HB       GLU  70  74.566   6.465  -1.875
  496   2HB   GLU  70          1HB       GLU  70  72.815   6.484  -2.081
  497   1HG   GLU  70          2HG       GLU  70  73.406   9.048  -1.157
  498   2HG   GLU  70          1HG       GLU  70  74.717   8.687  -2.280
  499    H    ALA  71           H        ALA  71  73.789   4.316  -0.107
  500    HA   ALA  71           HA       ALA  71  71.000   3.519   0.022
  501   1HB   ALA  71          1HB       ALA  71  71.907   1.391  -0.247
  502   2HB   ALA  71          2HB       ALA  71  73.270   1.727   0.821
  503   3HB   ALA  71          3HB       ALA  71  73.262   2.360  -0.824
  504    H    GLN  72           H        GLN  72  73.454   4.344   2.331
  505    HA   GLN  72           HA       GLN  72  72.376   2.951   4.628
  506   1HB   GLN  72          2HB       GLN  72  74.301   5.187   4.055
  507   2HB   GLN  72          1HB       GLN  72  73.774   4.928   5.719
  508   1HG   GLN  72          2HG       GLN  72  74.414   2.484   5.416
  509   2HG   GLN  72          1HG       GLN  72  75.189   2.963   3.906
  510   1HE2  GLN  72          1HE2      GLN  72  76.893   1.923   5.789
  511   2HE2  GLN  72          2HE2      GLN  72  77.820   3.156   6.518
  512    H    THR  73           H        THR  73  72.071   6.238   3.310
  513    HA   THR  73           HA       THR  73  70.205   7.160   5.334
  514    HB   THR  73           HB       THR  73  70.956   8.057   2.532
  515    HG1  THR  73           HG1      THR  73  72.000   8.370   4.998
  516   1HG2  THR  73          1HG2      THR  73  69.853  10.259   3.470
  517   2HG2  THR  73          2HG2      THR  73  68.952   9.133   4.486
  518   3HG2  THR  73          3HG2      THR  73  68.845   9.015   2.730
  519    H    LEU  74           H        LEU  74  70.015   5.318   2.384
  520    HA   LEU  74           HA       LEU  74  67.186   5.713   1.859
  521   1HB   LEU  74          2HB       LEU  74  69.329   3.738   1.053
  522   2HB   LEU  74          1HB       LEU  74  67.662   3.525   0.527
  523    HG   LEU  74           HG       LEU  74  69.309   6.031   0.080
  524   1HD1  LEU  74          1HD1      LEU  74  70.228   4.746  -1.563
  525   2HD1  LEU  74          2HD1      LEU  74  68.693   5.021  -2.386
  526   3HD1  LEU  74          3HD1      LEU  74  68.946   3.539  -1.466
  527   1HD2  LEU  74          1HD2      LEU  74  67.117   5.941  -1.656
  528   2HD2  LEU  74          2HD2      LEU  74  67.273   6.963  -0.228
  529   3HD2  LEU  74          3HD2      LEU  74  66.469   5.398  -0.108
  530    H    ALA  75           H        ALA  75  69.115   3.368   3.694
  531    HA   ALA  75           HA       ALA  75  66.973   1.562   4.349
  532   1HB   ALA  75          1HB       ALA  75  68.584   0.673   5.886
  533   2HB   ALA  75          2HB       ALA  75  69.413   2.223   6.017
  534   3HB   ALA  75          3HB       ALA  75  69.523   1.287   4.526
  535    H    LYS  76           H        LYS  76  68.481   4.239   6.202
  536    HA   LYS  76           HA       LYS  76  66.594   4.153   8.379
  537   1HB   LYS  76          2HB       LYS  76  68.448   6.281   7.260
  538   2HB   LYS  76          1HB       LYS  76  67.574   6.462   8.780
  539   1HG   LYS  76          2HG       LYS  76  68.657   4.423   9.651
  540   2HG   LYS  76          1HG       LYS  76  69.538   4.244   8.133
  541   1HD   LYS  76          2HD       LYS  76  69.761   6.547  10.093
  542   2HD   LYS  76          1HD       LYS  76  70.994   5.333   9.746
  543   1HE   LYS  76          2HE       LYS  76  70.380   6.347   7.227
  544   2HE   LYS  76          1HE       LYS  76  70.359   7.780   8.274
  545   1HZ   LYS  76          1HZ       LYS  76  72.495   7.359   9.038
  546   2HZ   LYS  76          2HZ       LYS  76  72.615   6.977   7.387
  547   3HZ   LYS  76          3HZ       LYS  76  72.473   5.738   8.541
  548    H    TRP  77           H        TRP  77  66.516   5.493   5.175
  549    HA   TRP  77           HA       TRP  77  64.392   7.437   5.655
  550   1HB   TRP  77          2HB       TRP  77  65.986   7.758   3.874
  551   2HB   TRP  77          1HB       TRP  77  65.663   6.150   3.222
  552    HD1  TRP  77           HD1      TRP  77  63.878   9.526   3.763
  553    HE1  TRP  77           HE1      TRP  77  62.084   9.787   1.927
  554    HE3  TRP  77           HE3      TRP  77  64.283   4.978   1.489
  555    HZ2  TRP  77           HZ2      TRP  77  60.969   8.266  -0.222
  556    HZ3  TRP  77           HZ3      TRP  77  62.844   4.409  -0.451
  557    HH2  TRP  77           HH2      TRP  77  61.189   6.049  -1.309
  558    H    ILE  78           H        ILE  78  64.585   4.027   4.896
  559    HA   ILE  78           HA       ILE  78  61.797   3.838   3.975
  560    HB   ILE  78           HB       ILE  78  64.034   1.891   4.599
  561   1HG1  ILE  78          2HG1      ILE  78  62.727   2.024   1.940
  562   2HG1  ILE  78          1HG1      ILE  78  63.645   3.457   2.404
  563   1HG2  ILE  78          1HG2      ILE  78  62.106   0.629   5.135
  564   2HG2  ILE  78          2HG2      ILE  78  62.431   0.222   3.449
  565   3HG2  ILE  78          3HG2      ILE  78  61.157   1.374   3.849
  566   1HD1  ILE  78          1HD1      ILE  78  64.626   0.614   2.142
  567   2HD1  ILE  78          2HD1      ILE  78  65.529   1.825   3.051
  568   3HD1  ILE  78          3HD1      ILE  78  65.230   2.058   1.329
  569    H    LEU  79           H        LEU  79  63.580   2.323   6.704
  570    HA   LEU  79           HA       LEU  79  61.400   1.377   8.176
  571   1HB   LEU  79          2HB       LEU  79  64.191   2.162   8.628
  572   2HB   LEU  79          1HB       LEU  79  63.198   2.297  10.079
  573    HG   LEU  79           HG       LEU  79  62.652  -0.157   8.587
  574   1HD1  LEU  79          1HD1      LEU  79  64.745  -0.871   8.187
  575   2HD1  LEU  79          2HD1      LEU  79  65.129  -0.693   9.899
  576   3HD1  LEU  79          3HD1      LEU  79  65.389   0.654   8.791
  577   1HD2  LEU  79          1HD2      LEU  79  63.738  -0.575  11.202
  578   2HD2  LEU  79          2HD2      LEU  79  62.052  -0.687  10.695
  579   3HD2  LEU  79          3HD2      LEU  79  62.700   0.850  11.268
  580    H    SER  80           H        SER  80  62.810   4.642   8.236
  581    HA   SER  80           HA       SER  80  60.807   5.592  10.178
  582   1HB   SER  80          2HB       SER  80  63.167   6.728   8.689
  583   2HB   SER  80          1HB       SER  80  62.081   7.788   9.582
  584    HG   SER  80           HG       SER  80  63.858   5.836  10.486
  585    H    GLN  81           H        GLN  81  61.595   6.088   6.734
  586    HA   GLN  81           HA       GLN  81  60.384   7.269   5.061
  587   1HB   GLN  81          2HB       GLN  81  59.029   5.032   6.258
  588   2HB   GLN  81          1HB       GLN  81  57.828   6.213   5.736
  589   1HG   GLN  81          2HG       GLN  81  59.964   4.874   4.064
  590   2HG   GLN  81          1HG       GLN  81  58.215   4.800   3.849
  591   1HE2  GLN  81          1HE2      GLN  81  61.077   6.624   3.088
  592   2HE2  GLN  81          2HE2      GLN  81  60.300   7.881   2.238
  593    H    LYS  82           H        LYS  82  57.589   7.975   5.162
  594    HA   LYS  82           HA       LYS  82  57.631  10.612   6.120
  595   1HB   LYS  82          2HB       LYS  82  55.974   9.453   4.593
  596   2HB   LYS  82          1HB       LYS  82  55.239   8.748   6.034
  597   1HG   LYS  82          2HG       LYS  82  54.025  10.626   6.279
  598   2HG   LYS  82          1HG       LYS  82  55.523  11.513   6.563
  599   1HD   LYS  82          2HD       LYS  82  54.234  10.989   3.869
  600   2HD   LYS  82          1HD       LYS  82  54.314  12.540   4.704
  601   1HE   LYS  82          2HE       LYS  82  56.803  12.447   4.599
  602   2HE   LYS  82          1HE       LYS  82  56.681  10.938   3.672
  603   1HZ   LYS  82          1HZ       LYS  82  55.358  13.490   2.918
  604   2HZ   LYS  82          2HZ       LYS  82  55.372  12.049   2.016
  605   3HZ   LYS  82          3HZ       LYS  82  56.809  12.931   2.239
  606    HHA  HEM  83           HHA      HEM  83  62.942  -5.061  -1.026
  607    HHB  HEM  83           HHB      HEM  83  65.400   0.776  -0.194
  608    HHC  HEM  83           HHC      HEM  83  64.761   1.782  -6.392
  609    HHD  HEM  83           HHD      HEM  83  61.439  -3.576  -6.936
  610   1HMA  HEM  83          1HMA      HEM  83  66.185  -0.593   1.436
  611   2HMA  HEM  83          2HMA      HEM  83  66.307  -2.259   2.001
  612   3HMA  HEM  83          3HMA      HEM  83  64.865  -1.306   2.360
  613   1HAA  HEM  83          1HAA      HEM  83  64.095  -4.997   1.194
  614   2HAA  HEM  83          2HAA      HEM  83  65.734  -4.401   1.441
  615   1HBA  HEM  83          1HBA      HEM  83  65.993  -4.997  -1.134
  616   2HBA  HEM  83          2HBA      HEM  83  64.637  -6.076  -0.801
  617    H2A  HEM  83          3HBB      HEM  83  68.087   2.336  -4.428
  618   1HMB  HEM  83          1HMB      HEM  83  67.142   3.548  -2.065
  619   2HMB  HEM  83          2HMB      HEM  83  66.766   2.435  -0.750
  620   3HMB  HEM  83          3HMB      HEM  83  65.602   3.674  -1.219
  621    HAB  HEM  83           HAB      HEM  83  65.664   3.272  -5.767
  622   1HBB  HEM  83          1HBB      HEM  83  68.223   3.969  -5.080
  623   2HBB  HEM  83          2HBB      HEM  83  67.779   2.631  -6.139
  624   1HMC  HEM  83          1HMC      HEM  83  63.247   1.888  -8.345
  625   2HMC  HEM  83          2HMC      HEM  83  62.956   0.655  -9.573
  626   3HMC  HEM  83          3HMC      HEM  83  64.586   0.914  -8.952
  627    HAC  HEM  83           HAC      HEM  83  61.180  -2.636  -8.555
  628   1HBC  HEM  83          1HBC      HEM  83  61.659  -1.800 -10.972
  629   2HBC  HEM  83          2HBC      HEM  83  62.844  -2.837 -10.176
  630   1HMD  HEM  83          1HMD      HEM  83  60.712  -6.927  -5.335
  631   2HMD  HEM  83          2HMD      HEM  83  61.228  -5.880  -6.657
  632   3HMD  HEM  83          3HMD      HEM  83  59.742  -5.522  -5.776
  633   1HAD  HEM  83          1HAD      HEM  83  60.481  -6.918  -2.928
  634   2HAD  HEM  83          2HAD      HEM  83  61.613  -6.497  -1.646
  635   1HBD  HEM  83          1HBD      HEM  83  63.243  -7.891  -2.445
  636   2HBD  HEM  83          2HBD      HEM  83  62.797  -7.619  -4.130
  637    H2D  HEM  83          3HBC      HEM  83  63.111  -1.096 -10.259
  Start of MODEL    3
    1   1H    GLU   1          1H        GLU   1  71.344  17.860   0.957
    2   2H    GLU   1          2H        GLU   1  70.348  17.285   2.207
    3   3H    GLU   1          3H        GLU   1  69.903  18.673   1.334
    4    HA   GLU   1           HA       GLU   1  69.029  17.500  -0.368
    5   1HB   GLU   1          2HB       GLU   1  70.243  15.518  -1.237
    6   2HB   GLU   1          1HB       GLU   1  71.340  16.877  -0.990
    7   1HG   GLU   1          2HG       GLU   1  71.674  15.829   1.392
    8   2HG   GLU   1          1HG       GLU   1  71.055  14.363   0.632
    9    H    ASP   2           H        ASP   2  67.129  17.042   0.854
   10    HA   ASP   2           HA       ASP   2  66.822  15.193   2.957
   11   1HB   ASP   2          2HB       ASP   2  65.111  16.381   0.808
   12   2HB   ASP   2          1HB       ASP   2  64.427  15.071   1.770
   13    HA   PRO   3           HA       PRO   3  67.483  11.239   1.094
   14   1HB   PRO   3          2HB       PRO   3  65.463   9.998   2.723
   15   2HB   PRO   3          1HB       PRO   3  67.213   9.974   2.960
   16   1HG   PRO   3          2HG       PRO   3  65.250  11.386   4.501
   17   2HG   PRO   3          1HG       PRO   3  67.001  11.371   4.729
   18   1HD   PRO   3          2HD       PRO   3  65.362  13.532   3.733
   19   2HD   PRO   3          1HD       PRO   3  67.128  13.515   3.965
   20    H    GLU   4           H        GLU   4  64.169  12.420   1.534
   21    HA   GLU   4           HA       GLU   4  62.893  10.568  -0.256
   22   1HB   GLU   4          2HB       GLU   4  61.133  12.385  -0.285
   23   2HB   GLU   4          1HB       GLU   4  61.648  11.923   1.337
   24   1HG   GLU   4          2HG       GLU   4  62.691  13.926   1.725
   25   2HG   GLU   4          1HG       GLU   4  63.189  14.109   0.044
   26    H    VAL   5           H        VAL   5  64.758  13.492  -0.727
   27    HA   VAL   5           HA       VAL   5  63.969  13.984  -3.470
   28    HB   VAL   5           HB       VAL   5  66.271  14.785  -1.682
   29   1HG1  VAL   5          1HG1      VAL   5  66.851  16.429  -3.489
   30   2HG1  VAL   5          2HG1      VAL   5  65.737  15.578  -4.559
   31   3HG1  VAL   5          3HG1      VAL   5  67.168  14.755  -3.938
   32   1HG2  VAL   5          1HG2      VAL   5  64.043  16.418  -2.932
   33   2HG2  VAL   5          2HG2      VAL   5  65.164  16.935  -1.673
   34   3HG2  VAL   5          3HG2      VAL   5  63.946  15.711  -1.319
   35    H    LEU   6           H        LEU   6  67.021  12.721  -2.088
   36    HA   LEU   6           HA       LEU   6  68.066  11.775  -4.582
   37   1HB   LEU   6          2HB       LEU   6  69.631  10.560  -3.118
   38   2HB   LEU   6          1HB       LEU   6  69.360  12.188  -2.502
   39    HG   LEU   6           HG       LEU   6  67.427  10.955  -1.142
   40   1HD1  LEU   6          1HD1      LEU   6  68.216   8.766  -2.369
   41   2HD1  LEU   6          2HD1      LEU   6  67.841   8.701  -0.649
   42   3HD1  LEU   6          3HD1      LEU   6  69.519   8.790  -1.184
   43   1HD2  LEU   6          1HD2      LEU   6  69.268  10.515   0.635
   44   2HD2  LEU   6          2HD2      LEU   6  69.096  12.162   0.027
   45   3HD2  LEU   6          3HD2      LEU   6  70.389  11.127  -0.581
   46    H    ALA   7           H        ALA   7  65.641  10.539  -2.466
   47    HA   ALA   7           HA       ALA   7  65.814   7.737  -3.109
   48   1HB   ALA   7          1HB       ALA   7  63.733   9.638  -2.039
   49   2HB   ALA   7          2HB       ALA   7  64.578   8.340  -1.195
   50   3HB   ALA   7          3HB       ALA   7  63.315   7.956  -2.363
   51    H    LYS   8           H        LYS   8  63.607  10.295  -4.343
   52    HA   LYS   8           HA       LYS   8  62.445   8.651  -6.398
   53   1HB   LYS   8          2HB       LYS   8  61.868  11.004  -5.255
   54   2HB   LYS   8          1HB       LYS   8  62.693  11.614  -6.690
   55   1HG   LYS   8          2HG       LYS   8  61.159   9.884  -7.950
   56   2HG   LYS   8          1HG       LYS   8  60.161  10.017  -6.502
   57   1HD   LYS   8          2HD       LYS   8  61.012  12.261  -8.349
   58   2HD   LYS   8          1HD       LYS   8  59.374  11.670  -8.071
   59   1HE   LYS   8          2HE       LYS   8  59.264  13.376  -6.545
   60   2HE   LYS   8          1HE       LYS   8  60.184  12.273  -5.507
   61   1HZ   LYS   8          1HZ       LYS   8  61.036  14.711  -6.510
   62   2HZ   LYS   8          2HZ       LYS   8  61.903  13.536  -7.376
   63   3HZ   LYS   8          3HZ       LYS   8  61.969  13.566  -5.680
   64    H    ASN   9           H        ASN   9  65.346  10.666  -6.289
   65    HA   ASN   9           HA       ASN   9  65.796  10.846  -9.125
   66   1HB   ASN   9          2HB       ASN   9  67.916  10.774  -6.973
   67   2HB   ASN   9          1HB       ASN   9  67.912  11.711  -8.466
   68   1HD2  ASN   9          1HD2      ASN   9  64.903  12.301  -7.892
   69   2HD2  ASN   9          2HD2      ASN   9  64.965  13.553  -6.735
   70    H    LYS  10           H        LYS  10  66.777   8.437  -6.684
   71    HA   LYS  10           HA       LYS  10  68.397   6.930  -8.613
   72   1HB   LYS  10          2HB       LYS  10  67.375   6.256  -5.832
   73   2HB   LYS  10          1HB       LYS  10  68.686   5.432  -6.684
   74   1HG   LYS  10          2HG       LYS  10  68.740   8.400  -6.097
   75   2HG   LYS  10          1HG       LYS  10  69.406   7.201  -4.987
   76   1HD   LYS  10          2HD       LYS  10  70.909   6.380  -6.741
   77   2HD   LYS  10          1HD       LYS  10  70.220   7.528  -7.890
   78   1HE   LYS  10          2HE       LYS  10  71.851   8.962  -7.207
   79   2HE   LYS  10          1HE       LYS  10  70.932   9.113  -5.695
   80   1HZ   LYS  10          1HZ       LYS  10  72.075   7.198  -4.815
   81   2HZ   LYS  10          2HZ       LYS  10  73.224   8.348  -5.311
   82   3HZ   LYS  10          3HZ       LYS  10  72.919   6.978  -6.270
   83    H    GLY  11           H        GLY  11  65.075   7.125  -7.802
   84   1HA   GLY  11          2HA       GLY  11  63.380   5.977  -9.087
   85   2HA   GLY  11          1HA       GLY  11  64.548   4.702  -9.436
   86    H    CYS  12           H        CYS  12  64.620   5.677  -6.170
   87    HA   CYS  12           HA       CYS  12  63.786   3.111  -5.198
   88   1HB   CYS  12          2HB       CYS  12  63.817   5.747  -3.710
   89   2HB   CYS  12          1HB       CYS  12  64.070   4.139  -3.035
   90    H    MET  13           H        MET  13  62.087   6.216  -5.506
   91    HA   MET  13           HA       MET  13  59.655   5.226  -4.216
   92   1HB   MET  13          2HB       MET  13  60.658   7.714  -5.548
   93   2HB   MET  13          1HB       MET  13  58.911   7.521  -5.358
   94   1HG   MET  13          2HG       MET  13  59.756   6.774  -2.885
   95   2HG   MET  13          1HG       MET  13  60.998   7.956  -3.299
   96   1HE   MET  13          1HE       MET  13  57.303   7.154  -2.801
   97   2HE   MET  13          2HE       MET  13  56.797   8.606  -1.940
   98   3HE   MET  13          3HE       MET  13  58.116   7.628  -1.302
   99    H    ALA  14           H        ALA  14  60.957   4.378  -7.081
  100    HA   ALA  14           HA       ALA  14  58.592   4.691  -8.802
  101   1HB   ALA  14          1HB       ALA  14  60.056   4.015 -10.485
  102   2HB   ALA  14          2HB       ALA  14  60.954   2.948  -9.406
  103   3HB   ALA  14          3HB       ALA  14  61.189   4.694  -9.316
  104    H    CYS  15           H        CYS  15  60.193   2.141  -6.939
  105    HA   CYS  15           HA       CYS  15  58.065   0.213  -7.786
  106   1HB   CYS  15          2HB       CYS  15  60.873  -0.040  -6.684
  107   2HB   CYS  15          1HB       CYS  15  59.783  -1.417  -6.818
  108    H    HIS  16           H        HIS  16  59.217   2.087  -5.112
  109    HA   HIS  16           HA       HIS  16  57.890   0.277  -3.143
  110   1HB   HIS  16          2HB       HIS  16  59.967   2.430  -3.117
  111   2HB   HIS  16          1HB       HIS  16  59.051   2.132  -1.636
  112    HD1  HIS  16           HD1      HIS  16  58.796  -0.778  -1.391
  113    HD2  HIS  16           HD2      HIS  16  62.267   0.917  -2.971
  114    HE1  HIS  16           HE1      HIS  16  60.622  -2.509  -1.124
  115    H    ALA  17           H        ALA  17  56.370   1.117  -1.640
  116    HA   ALA  17           HA       ALA  17  55.107   3.743  -2.340
  117   1HB   ALA  17          1HB       ALA  17  53.011   2.175  -1.555
  118   2HB   ALA  17          2HB       ALA  17  54.052   0.972  -2.318
  119   3HB   ALA  17          3HB       ALA  17  53.501   2.371  -3.239
  120    H    ILE  18           H        ILE  18  55.155   4.997  -0.504
  121    HA   ILE  18           HA       ILE  18  56.082   4.409   2.010
  122    HB   ILE  18           HB       ILE  18  53.770   6.163   1.138
  123   1HG1  ILE  18          2HG1      ILE  18  56.407   7.216   2.033
  124   2HG1  ILE  18          1HG1      ILE  18  56.386   6.358   0.491
  125   1HG2  ILE  18          1HG2      ILE  18  53.316   6.288   3.369
  126   2HG2  ILE  18          2HG2      ILE  18  54.745   7.321   3.413
  127   3HG2  ILE  18          3HG2      ILE  18  54.880   5.611   3.822
  128   1HD1  ILE  18          1HD1      ILE  18  55.353   8.077  -0.538
  129   2HD1  ILE  18          2HD1      ILE  18  55.643   9.025   0.920
  130   3HD1  ILE  18          3HD1      ILE  18  54.118   8.162   0.718
  131    H    ASP  19           H        ASP  19  52.965   3.434   0.700
  132    HA   ASP  19           HA       ASP  19  52.551   1.714   3.081
  133   1HB   ASP  19          2HB       ASP  19  51.553   4.138   3.264
  134   2HB   ASP  19          1HB       ASP  19  50.319   3.514   2.168
  135    H    THR  20           H        THR  20  51.435   2.764  -0.124
  136    HA   THR  20           HA       THR  20  49.618   0.557  -0.552
  137    HB   THR  20           HB       THR  20  50.238   1.362  -3.039
  138    HG1  THR  20           HG1      THR  20  50.762   3.733  -1.708
  139   1HG2  THR  20          1HG2      THR  20  48.063   1.747  -2.223
  140   2HG2  THR  20          2HG2      THR  20  48.678   3.370  -2.544
  141   3HG2  THR  20          3HG2      THR  20  48.644   2.749  -0.893
  142    H    LYS  21           H        LYS  21  49.996  -1.169  -2.209
  143    HA   LYS  21           HA       LYS  21  52.750  -2.267  -1.955
  144   1HB   LYS  21          2HB       LYS  21  49.970  -3.319  -2.213
  145   2HB   LYS  21          1HB       LYS  21  51.267  -4.303  -2.893
  146   1HG   LYS  21          2HG       LYS  21  52.190  -3.404  -0.373
  147   2HG   LYS  21          1HG       LYS  21  50.532  -3.958  -0.127
  148   1HD   LYS  21          2HD       LYS  21  51.104  -6.081  -1.304
  149   2HD   LYS  21          1HD       LYS  21  52.776  -5.532  -1.427
  150   1HE   LYS  21          2HE       LYS  21  52.933  -6.734   0.552
  151   2HE   LYS  21          1HE       LYS  21  52.413  -5.176   1.227
  152   1HZ   LYS  21          1HZ       LYS  21  50.067  -6.093   0.583
  153   2HZ   LYS  21          2HZ       LYS  21  50.791  -6.547   2.052
  154   3HZ   LYS  21          3HZ       LYS  21  50.833  -7.601   0.720
  155    H    MET  22           H        MET  22  53.689  -1.038  -3.733
  156    HA   MET  22           HA       MET  22  52.500  -1.280  -6.419
  157   1HB   MET  22          2HB       MET  22  54.781   0.114  -5.074
  158   2HB   MET  22          1HB       MET  22  54.879  -0.120  -6.823
  159   1HG   MET  22          2HG       MET  22  52.316   0.755  -6.595
  160   2HG   MET  22          1HG       MET  22  53.063   1.612  -5.246
  161   1HE   MET  22          1HE       MET  22  55.261   2.361  -5.321
  162   2HE   MET  22          2HE       MET  22  55.251   3.929  -6.125
  163   3HE   MET  22          3HE       MET  22  56.279   2.637  -6.742
  164    H    VAL  23           H        VAL  23  55.958  -1.571  -6.074
  165    HA   VAL  23           HA       VAL  23  55.828  -4.254  -7.347
  166    HB   VAL  23           HB       VAL  23  57.921  -2.082  -7.113
  167   1HG1  VAL  23          1HG1      VAL  23  59.416  -3.801  -7.179
  168   2HG1  VAL  23          2HG1      VAL  23  58.961  -3.885  -8.881
  169   3HG1  VAL  23          3HG1      VAL  23  58.201  -4.964  -7.710
  170   1HG2  VAL  23          1HG2      VAL  23  56.499  -3.354  -9.477
  171   2HG2  VAL  23          2HG2      VAL  23  57.700  -2.065  -9.575
  172   3HG2  VAL  23          3HG2      VAL  23  56.145  -1.762  -8.801
  173    H    GLY  24           H        GLY  24  57.301  -2.506  -4.643
  174   1HA   GLY  24          2HA       GLY  24  58.085  -5.142  -3.460
  175   2HA   GLY  24          1HA       GLY  24  58.965  -3.638  -3.158
  176    HA   PRO  25           HA       PRO  25  55.684  -4.383   0.135
  177   1HB   PRO  25          2HB       PRO  25  57.782  -4.119   2.085
  178   2HB   PRO  25          1HB       PRO  25  56.819  -5.552   1.717
  179   1HG   PRO  25          2HG       PRO  25  59.578  -5.144   1.151
  180   2HG   PRO  25          1HG       PRO  25  58.576  -6.515   0.661
  181   1HD   PRO  25          2HD       PRO  25  59.604  -4.330  -0.983
  182   2HD   PRO  25          1HD       PRO  25  58.768  -5.815  -1.502
  183    H    ALA  26           H        ALA  26  54.679  -2.488   0.771
  184    HA   ALA  26           HA       ALA  26  55.497   0.097   0.259
  185   1HB   ALA  26          1HB       ALA  26  53.849  -1.125   2.475
  186   2HB   ALA  26          2HB       ALA  26  53.287  -0.287   1.028
  187   3HB   ALA  26          3HB       ALA  26  54.032   0.623   2.343
  188    H    TYR  27           H        TYR  27  56.816   1.646   1.306
  189    HA   TYR  27           HA       TYR  27  59.066   0.826   2.785
  190   1HB   TYR  27          2HB       TYR  27  57.560   3.401   2.399
  191   2HB   TYR  27          1HB       TYR  27  58.965   3.366   3.454
  192    HD1  TYR  27           HD1      TYR  27  60.641   1.320   2.008
  193    HD2  TYR  27           HD2      TYR  27  58.342   4.641   0.542
  194    HE1  TYR  27           HE1      TYR  27  62.120   1.471   0.027
  195    HE2  TYR  27           HE2      TYR  27  59.825   4.791  -1.439
  196    HH   TYR  27           HH       TYR  27  61.569   3.935  -2.495
  197    H    LYS  28           H        LYS  28  56.031   2.280   4.032
  198    HA   LYS  28           HA       LYS  28  56.691   2.228   6.790
  199   1HB   LYS  28          2HB       LYS  28  54.104   1.955   5.240
  200   2HB   LYS  28          1HB       LYS  28  54.136   2.094   6.997
  201   1HG   LYS  28          2HG       LYS  28  55.260   4.247   6.856
  202   2HG   LYS  28          1HG       LYS  28  55.395   4.099   5.103
  203   1HD   LYS  28          2HD       LYS  28  53.378   5.077   4.903
  204   2HD   LYS  28          1HD       LYS  28  52.663   3.693   5.733
  205   1HE   LYS  28          2HE       LYS  28  52.120   5.111   7.421
  206   2HE   LYS  28          1HE       LYS  28  53.856   5.247   7.767
  207   1HZ   LYS  28          1HZ       LYS  28  52.516   7.358   7.102
  208   2HZ   LYS  28          2HZ       LYS  28  52.701   6.757   5.523
  209   3HZ   LYS  28          3HZ       LYS  28  54.070   7.113   6.465
  210    H    ASP  29           H        ASP  29  54.944  -0.212   4.858
  211    HA   ASP  29           HA       ASP  29  54.615  -2.161   6.897
  212   1HB   ASP  29          2HB       ASP  29  54.881  -2.212   3.891
  213   2HB   ASP  29          1HB       ASP  29  54.623  -3.701   4.801
  214    H    VAL  30           H        VAL  30  57.435  -1.313   4.971
  215    HA   VAL  30           HA       VAL  30  58.955  -3.715   5.403
  216    HB   VAL  30           HB       VAL  30  59.745  -0.834   4.881
  217   1HG1  VAL  30          1HG1      VAL  30  61.395  -2.932   5.699
  218   2HG1  VAL  30          2HG1      VAL  30  61.916  -1.456   4.886
  219   3HG1  VAL  30          3HG1      VAL  30  61.570  -2.906   3.945
  220   1HG2  VAL  30          1HG2      VAL  30  60.173  -2.513   2.649
  221   2HG2  VAL  30          2HG2      VAL  30  58.942  -1.262   2.819
  222   3HG2  VAL  30          3HG2      VAL  30  58.574  -2.926   3.269
  223    H    ALA  31           H        ALA  31  58.785  -0.616   7.152
  224    HA   ALA  31           HA       ALA  31  60.766  -1.392   9.139
  225   1HB   ALA  31          1HB       ALA  31  60.592   0.895   9.015
  226   2HB   ALA  31          2HB       ALA  31  59.355   0.651  10.248
  227   3HB   ALA  31          3HB       ALA  31  58.889   0.836   8.558
  228    H    ALA  32           H        ALA  32  57.321  -1.837   8.785
  229    HA   ALA  32           HA       ALA  32  56.768  -2.337  11.594
  230   1HB   ALA  32          1HB       ALA  32  55.412  -2.331   8.988
  231   2HB   ALA  32          2HB       ALA  32  54.795  -1.859  10.570
  232   3HB   ALA  32          3HB       ALA  32  54.790  -3.556  10.093
  233    H    LYS  33           H        LYS  33  57.815  -4.289   8.860
  234    HA   LYS  33           HA       LYS  33  57.345  -6.815  10.311
  235   1HB   LYS  33          2HB       LYS  33  56.925  -6.433   7.848
  236   2HB   LYS  33          1HB       LYS  33  58.675  -6.305   7.637
  237   1HG   LYS  33          2HG       LYS  33  58.307  -8.570   7.198
  238   2HG   LYS  33          1HG       LYS  33  58.726  -8.596   8.911
  239   1HD   LYS  33          2HD       LYS  33  56.499  -8.904   9.585
  240   2HD   LYS  33          1HD       LYS  33  55.856  -8.302   8.057
  241   1HE   LYS  33          2HE       LYS  33  57.467 -10.867   8.280
  242   2HE   LYS  33          1HE       LYS  33  55.692 -10.815   8.297
  243   1HZ   LYS  33          1HZ       LYS  33  56.245 -11.040   6.046
  244   2HZ   LYS  33          2HZ       LYS  33  57.532  -9.935   6.151
  245   3HZ   LYS  33          3HZ       LYS  33  55.927  -9.383   6.229
  246    H    TYR  34           H        TYR  34  60.118  -4.889   9.118
  247    HA   TYR  34           HA       TYR  34  62.081  -6.786  10.162
  248   1HB   TYR  34          2HB       TYR  34  62.051  -4.082   8.855
  249   2HB   TYR  34          1HB       TYR  34  63.537  -4.630   9.643
  250    HD1  TYR  34           HD1      TYR  34  63.672  -7.452   9.171
  251    HD2  TYR  34           HD2      TYR  34  62.249  -4.367   6.545
  252    HE1  TYR  34           HE1      TYR  34  64.190  -8.882   7.213
  253    HE2  TYR  34           HE2      TYR  34  62.765  -5.797   4.585
  254    HH   TYR  34           HH       TYR  34  64.179  -9.048   5.005
  255    H    ALA  35           H        ALA  35  60.104  -4.445  11.591
  256    HA   ALA  35           HA       ALA  35  61.745  -3.161  13.499
  257   1HB   ALA  35          1HB       ALA  35  59.561  -3.236  14.854
  258   2HB   ALA  35          2HB       ALA  35  58.903  -4.201  13.534
  259   3HB   ALA  35          3HB       ALA  35  59.448  -2.551  13.233
  260    H    GLY  36           H        GLY  36  63.380  -4.726  14.189
  261   1HA   GLY  36          2HA       GLY  36  63.173  -5.896  16.635
  262   2HA   GLY  36          1HA       GLY  36  62.488  -7.147  15.599
  263    H    GLN  37           H        GLN  37  64.122  -6.921  13.344
  264    HA   GLN  37           HA       GLN  37  66.285  -8.567  13.802
  265   1HB   GLN  37          2HB       GLN  37  65.649  -6.392  11.849
  266   2HB   GLN  37          1HB       GLN  37  67.282  -7.061  11.818
  267   1HG   GLN  37          2HG       GLN  37  65.038  -9.014  11.955
  268   2HG   GLN  37          1HG       GLN  37  65.255  -8.157  10.429
  269   1HE2  GLN  37          1HE2      GLN  37  66.265  -9.753   9.142
  270   2HE2  GLN  37          2HE2      GLN  37  67.726 -10.527   9.566
  271    H    ALA  38           H        ALA  38  68.609  -8.152  14.075
  272    HA   ALA  38           HA       ALA  38  69.133  -5.957  15.973
  273   1HB   ALA  38          1HB       ALA  38  70.097  -7.909  16.736
  274   2HB   ALA  38          2HB       ALA  38  71.450  -7.305  15.780
  275   3HB   ALA  38          3HB       ALA  38  70.371  -8.526  15.107
  276    H    GLY  39           H        GLY  39  68.712  -4.667  13.657
  277   1HA   GLY  39          2HA       GLY  39  70.198  -2.847  12.823
  278   2HA   GLY  39          1HA       GLY  39  71.465  -4.063  12.653
  279    H    ALA  40           H        ALA  40  68.050  -3.763  11.607
  280    HA   ALA  40           HA       ALA  40  68.492  -5.268   9.178
  281   1HB   ALA  40          1HB       ALA  40  66.248  -5.294   9.469
  282   2HB   ALA  40          2HB       ALA  40  66.209  -3.610   8.946
  283   3HB   ALA  40          3HB       ALA  40  66.358  -3.998  10.660
  284    H    GLU  41           H        GLU  41  68.163  -1.792   9.874
  285    HA   GLU  41           HA       GLU  41  68.251  -0.727   7.287
  286   1HB   GLU  41          2HB       GLU  41  69.375   1.215   8.454
  287   2HB   GLU  41          1HB       GLU  41  67.933   0.619   9.277
  288   1HG   GLU  41          2HG       GLU  41  69.319  -0.688  10.819
  289   2HG   GLU  41          1HG       GLU  41  70.778  -0.175   9.970
  290    H    ALA  42           H        ALA  42  70.961  -1.919   9.269
  291    HA   ALA  42           HA       ALA  42  73.106  -1.048   7.608
  292   1HB   ALA  42          1HB       ALA  42  74.118  -3.239   8.709
  293   2HB   ALA  42          2HB       ALA  42  72.606  -3.222   9.616
  294   3HB   ALA  42          3HB       ALA  42  73.709  -1.849   9.714
  295    H    TYR  43           H        TYR  43  71.606  -4.308   7.739
  296    HA   TYR  43           HA       TYR  43  72.911  -5.236   5.338
  297   1HB   TYR  43          2HB       TYR  43  72.028  -6.682   7.135
  298   2HB   TYR  43          1HB       TYR  43  70.391  -6.107   6.807
  299    HD1  TYR  43           HD1      TYR  43  69.041  -7.264   5.291
  300    HD2  TYR  43           HD2      TYR  43  73.304  -7.754   5.114
  301    HE1  TYR  43           HE1      TYR  43  68.764  -9.032   3.575
  302    HE2  TYR  43           HE2      TYR  43  73.029  -9.522   3.395
  303    HH   TYR  43           HH       TYR  43  70.807 -11.227   2.857
  304    H    LEU  44           H        LEU  44  70.289  -3.118   5.864
  305    HA   LEU  44           HA       LEU  44  68.881  -3.648   3.346
  306   1HB   LEU  44          2HB       LEU  44  68.838  -1.579   5.551
  307   2HB   LEU  44          1HB       LEU  44  67.919  -1.316   4.065
  308    HG   LEU  44           HG       LEU  44  67.670  -3.716   5.906
  309   1HD1  LEU  44          1HD1      LEU  44  65.366  -2.790   6.255
  310   2HD1  LEU  44          2HD1      LEU  44  65.847  -1.359   5.344
  311   3HD1  LEU  44          3HD1      LEU  44  66.640  -1.737   6.873
  312   1HD2  LEU  44          1HD2      LEU  44  66.996  -3.324   3.128
  313   2HD2  LEU  44          2HD2      LEU  44  65.518  -3.516   4.072
  314   3HD2  LEU  44          3HD2      LEU  44  66.767  -4.761   4.125
  315    H    ALA  45           H        ALA  45  71.480  -1.646   4.566
  316    HA   ALA  45           HA       ALA  45  71.650   0.121   2.266
  317   1HB   ALA  45          1HB       ALA  45  73.411   1.047   3.477
  318   2HB   ALA  45          2HB       ALA  45  73.958  -0.523   4.066
  319   3HB   ALA  45          3HB       ALA  45  72.534   0.238   4.777
  320    H    GLN  46           H        GLN  46  73.192  -2.927   3.281
  321    HA   GLN  46           HA       GLN  46  75.032  -2.986   1.015
  322   1HB   GLN  46          2HB       GLN  46  74.042  -5.003   3.053
  323   2HB   GLN  46          1HB       GLN  46  75.285  -5.382   1.859
  324   1HG   GLN  46          2HG       GLN  46  76.585  -3.390   2.711
  325   2HG   GLN  46          1HG       GLN  46  75.408  -3.266   4.019
  326   1HE2  GLN  46          1HE2      GLN  46  78.078  -3.787   4.700
  327   2HE2  GLN  46          2HE2      GLN  46  78.229  -5.399   5.237
  328    H    ARG  47           H        ARG  47  71.817  -4.287   1.707
  329    HA   ARG  47           HA       ARG  47  71.713  -5.834  -0.786
  330   1HB   ARG  47          2HB       ARG  47  69.637  -5.028   1.280
  331   2HB   ARG  47          1HB       ARG  47  69.371  -6.204  -0.008
  332   1HG   ARG  47          2HG       ARG  47  71.688  -6.524   1.885
  333   2HG   ARG  47          1HG       ARG  47  70.076  -7.072   2.345
  334   1HD   ARG  47          2HD       ARG  47  70.224  -8.893   0.997
  335   2HD   ARG  47          1HD       ARG  47  70.788  -7.909  -0.370
  336    HE   ARG  47           HE       ARG  47  72.798  -8.197   1.718
  337   1HH1  ARG  47          1HH1      ARG  47  71.336  -9.597  -1.081
  338   2HH1  ARG  47          2HH1      ARG  47  72.737 -10.521  -1.505
  339   1HH2  ARG  47          1HH2      ARG  47  74.628  -9.393   1.171
  340   2HH2  ARG  47          2HH2      ARG  47  74.598 -10.407  -0.233
  341    H    ILE  48           H        ILE  48  71.141  -2.573   0.179
  342    HA   ILE  48           HA       ILE  48  69.206  -1.977  -1.942
  343    HB   ILE  48           HB       ILE  48  70.724  -0.514   0.199
  344   1HG1  ILE  48          2HG1      ILE  48  67.799  -0.402  -0.574
  345   2HG1  ILE  48          1HG1      ILE  48  68.451  -1.657   0.479
  346   1HG2  ILE  48          1HG2      ILE  48  69.184   0.848  -2.036
  347   2HG2  ILE  48          2HG2      ILE  48  70.936   0.903  -1.836
  348   3HG2  ILE  48          3HG2      ILE  48  69.886   1.642  -0.626
  349   1HD1  ILE  48          1HD1      ILE  48  67.880   1.154   1.069
  350   2HD1  ILE  48          2HD1      ILE  48  69.502   0.666   1.559
  351   3HD1  ILE  48          3HD1      ILE  48  68.095  -0.202   2.175
  352    H    LYS  49           H        LYS  49  72.722  -1.700  -1.441
  353    HA   LYS  49           HA       LYS  49  73.101  -0.244  -3.971
  354   1HB   LYS  49          2HB       LYS  49  74.459  -0.593  -1.564
  355   2HB   LYS  49          1HB       LYS  49  75.437  -1.490  -2.725
  356   1HG   LYS  49          2HG       LYS  49  74.695   0.905  -4.024
  357   2HG   LYS  49          1HG       LYS  49  75.196   1.368  -2.397
  358   1HD   LYS  49          2HD       LYS  49  77.364   0.761  -2.751
  359   2HD   LYS  49          1HD       LYS  49  76.914  -0.648  -3.712
  360   1HE   LYS  49          2HE       LYS  49  76.198   1.836  -5.068
  361   2HE   LYS  49          1HE       LYS  49  77.937   1.743  -4.727
  362   1HZ   LYS  49          1HZ       LYS  49  77.774   0.505  -6.651
  363   2HZ   LYS  49          2HZ       LYS  49  76.245  -0.122  -6.255
  364   3HZ   LYS  49          3HZ       LYS  49  77.636  -0.704  -5.470
  365    H    ASN  50           H        ASN  50  72.752  -3.537  -3.055
  366    HA   ASN  50           HA       ASN  50  74.039  -4.405  -5.627
  367   1HB   ASN  50          2HB       ASN  50  75.287  -5.176  -3.700
  368   2HB   ASN  50          1HB       ASN  50  73.812  -5.745  -2.917
  369   1HD2  ASN  50          1HD2      ASN  50  74.899  -6.156  -6.326
  370   2HD2  ASN  50          2HD2      ASN  50  74.860  -7.861  -6.289
  371    H    GLY  51           H        GLY  51  71.118  -4.155  -3.906
  372   1HA   GLY  51          2HA       GLY  51  68.957  -4.981  -4.364
  373   2HA   GLY  51          1HA       GLY  51  69.580  -5.410  -5.959
  374    H    SER  52           H        SER  52  67.762  -7.125  -4.487
  375    HA   SER  52           HA       SER  52  69.243  -9.607  -4.675
  376   1HB   SER  52          2HB       SER  52  70.421  -8.911  -2.745
  377   2HB   SER  52          1HB       SER  52  68.965  -8.281  -1.981
  378    HG   SER  52           HG       SER  52  68.417 -10.250  -1.384
  379    H    GLN  53           H        GLN  53  67.968 -11.481  -4.207
  380    HA   GLN  53           HA       GLN  53  65.043 -10.927  -3.945
  381   1HB   GLN  53          2HB       GLN  53  64.842 -12.415  -5.648
  382   2HB   GLN  53          1HB       GLN  53  66.592 -12.350  -5.794
  383   1HG   GLN  53          2HG       GLN  53  65.040 -14.323  -4.088
  384   2HG   GLN  53          1HG       GLN  53  65.813 -14.676  -5.629
  385   1HE2  GLN  53          1HE2      GLN  53  68.282 -14.062  -5.657
  386   2HE2  GLN  53          2HE2      GLN  53  69.158 -14.444  -4.244
  387    H    GLY  54           H        GLY  54  63.989 -13.184  -3.003
  388   1HA   GLY  54          2HA       GLY  54  63.712 -14.517  -1.084
  389   2HA   GLY  54          1HA       GLY  54  65.470 -14.508  -0.922
  390    H    VAL  55           H        VAL  55  64.228 -11.382  -1.163
  391    HA   VAL  55           HA       VAL  55  64.808 -10.859   1.685
  392    HB   VAL  55           HB       VAL  55  63.877  -8.856  -0.367
  393   1HG1  VAL  55          1HG1      VAL  55  66.114  -7.927   0.972
  394   2HG1  VAL  55          2HG1      VAL  55  65.280  -8.882   2.197
  395   3HG1  VAL  55          3HG1      VAL  55  64.441  -7.557   1.389
  396   1HG2  VAL  55          1HG2      VAL  55  65.476 -10.096  -1.654
  397   2HG2  VAL  55          2HG2      VAL  55  66.559 -10.259  -0.273
  398   3HG2  VAL  55          3HG2      VAL  55  66.338  -8.687  -1.041
  399    H    TRP  56           H        TRP  56  62.191  -9.882  -0.558
  400    HA   TRP  56           HA       TRP  56  60.266 -10.066   1.733
  401   1HB   TRP  56          2HB       TRP  56  60.587  -8.265  -0.667
  402   2HB   TRP  56          1HB       TRP  56  59.026  -8.409   0.143
  403    HD1  TRP  56           HD1      TRP  56  62.505  -6.999   0.559
  404    HE1  TRP  56           HE1      TRP  56  62.597  -5.566   2.701
  405    HE3  TRP  56           HE3      TRP  56  57.965  -8.156   2.589
  406    HZ2  TRP  56           HZ2      TRP  56  60.963  -4.989   4.974
  407    HZ3  TRP  56           HZ3      TRP  56  57.260  -7.150   4.744
  408    HH2  TRP  56           HH2      TRP  56  58.749  -5.569   5.934
  409    H    GLY  57           H        GLY  57  60.874 -10.780  -1.673
  410   1HA   GLY  57          2HA       GLY  57  59.068 -13.053  -1.617
  411   2HA   GLY  57          1HA       GLY  57  58.432 -11.722  -2.584
  412    HA   PRO  58           HA       PRO  58  61.225 -14.313  -5.259
  413   1HB   PRO  58          2HB       PRO  58  59.176 -14.144  -7.267
  414   2HB   PRO  58          1HB       PRO  58  59.702 -15.570  -6.366
  415   1HG   PRO  58          2HG       PRO  58  57.220 -14.214  -6.115
  416   2HG   PRO  58          1HG       PRO  58  57.823 -15.530  -5.102
  417   1HD   PRO  58          2HD       PRO  58  57.584 -12.681  -4.455
  418   2HD   PRO  58          1HD       PRO  58  57.937 -14.047  -3.368
  419    H    ILE  59           H        ILE  59  60.225 -11.154  -5.111
  420    HA   ILE  59           HA       ILE  59  61.311 -10.463  -7.813
  421    HB   ILE  59           HB       ILE  59  59.720  -8.759  -5.875
  422   1HG1  ILE  59          2HG1      ILE  59  58.776 -10.555  -8.133
  423   2HG1  ILE  59          1HG1      ILE  59  58.397 -10.734  -6.420
  424   1HG2  ILE  59          1HG2      ILE  59  59.285  -7.387  -7.820
  425   2HG2  ILE  59          2HG2      ILE  59  60.062  -8.562  -8.881
  426   3HG2  ILE  59          3HG2      ILE  59  61.027  -7.646  -7.723
  427   1HD1  ILE  59          1HD1      ILE  59  57.171  -8.983  -8.417
  428   2HD1  ILE  59          2HD1      ILE  59  57.657  -8.114  -6.962
  429   3HD1  ILE  59          3HD1      ILE  59  56.559  -9.489  -6.843
  430    HA   PRO  60           HA       PRO  60  64.770  -9.396  -4.934
  431   1HB   PRO  60          2HB       PRO  60  66.392  -9.359  -7.308
  432   2HB   PRO  60          1HB       PRO  60  66.412 -10.543  -6.005
  433   1HG   PRO  60          2HG       PRO  60  65.413 -10.868  -8.678
  434   2HG   PRO  60          1HG       PRO  60  65.454 -12.067  -7.383
  435   1HD   PRO  60          2HD       PRO  60  63.148 -10.729  -8.457
  436   2HD   PRO  60          1HD       PRO  60  63.202 -11.881  -7.101
  437    H    MET  61           H        MET  61  65.556  -7.296  -4.595
  438    HA   MET  61           HA       MET  61  64.523  -5.125  -6.217
  439   1HB   MET  61          2HB       MET  61  64.906  -4.815  -3.879
  440   2HB   MET  61          1HB       MET  61  66.561  -5.408  -3.997
  441   1HG   MET  61          2HG       MET  61  67.255  -3.477  -5.246
  442   2HG   MET  61          1HG       MET  61  65.588  -2.929  -5.440
  443   1HE   MET  61          1HE       MET  61  67.854  -3.234  -1.461
  444   2HE   MET  61          2HE       MET  61  68.269  -3.978  -3.000
  445   3HE   MET  61          3HE       MET  61  66.883  -4.567  -2.099
  446    HA   PRO  62           HA       PRO  62  67.796  -5.426  -9.269
  447   1HB   PRO  62          2HB       PRO  62  67.219  -2.737 -10.114
  448   2HB   PRO  62          1HB       PRO  62  66.760  -4.246 -10.910
  449   1HG   PRO  62          2HG       PRO  62  65.057  -2.411  -9.512
  450   2HG   PRO  62          1HG       PRO  62  64.606  -3.930 -10.293
  451   1HD   PRO  62          2HD       PRO  62  64.763  -3.367  -7.461
  452   2HD   PRO  62          1HD       PRO  62  64.292  -4.893  -8.251
  453    HA   PRO  63           HA       PRO  63  70.885  -3.414  -6.733
  454   1HB   PRO  63          2HB       PRO  63  72.777  -3.580  -8.890
  455   2HB   PRO  63          1HB       PRO  63  72.674  -4.599  -7.450
  456   1HG   PRO  63          2HG       PRO  63  71.976  -5.279 -10.170
  457   2HG   PRO  63          1HG       PRO  63  71.963  -6.319  -8.743
  458   1HD   PRO  63          2HD       PRO  63  69.694  -5.307 -10.160
  459   2HD   PRO  63          1HD       PRO  63  69.684  -6.222  -8.631
  460    H    ASN  64           H        ASN  64  71.177  -1.227  -6.511
  461    HA   ASN  64           HA       ASN  64  70.726   0.498  -8.905
  462   1HB   ASN  64          2HB       ASN  64  70.670   1.109  -5.933
  463   2HB   ASN  64          1HB       ASN  64  70.087   2.158  -7.230
  464   1HD2  ASN  64          1HD2      ASN  64  69.506  -1.057  -5.727
  465   2HD2  ASN  64          2HD2      ASN  64  67.861  -1.136  -6.168
  466    H    ALA  65           H        ALA  65  72.065   2.508  -8.998
  467    HA   ALA  65           HA       ALA  65  74.890   1.904  -8.355
  468   1HB   ALA  65          1HB       ALA  65  73.433   3.988 -10.003
  469   2HB   ALA  65          2HB       ALA  65  74.395   2.634 -10.596
  470   3HB   ALA  65          3HB       ALA  65  75.185   3.995  -9.798
  471    H    VAL  66           H        VAL  66  72.933   2.649  -6.242
  472    HA   VAL  66           HA       VAL  66  73.457   5.393  -5.432
  473    HB   VAL  66           HB       VAL  66  72.417   4.501  -3.279
  474   1HG1  VAL  66          1HG1      VAL  66  70.998   3.882  -5.890
  475   2HG1  VAL  66          2HG1      VAL  66  71.050   5.456  -5.097
  476   3HG1  VAL  66          3HG1      VAL  66  70.213   4.108  -4.327
  477   1HG2  VAL  66          1HG2      VAL  66  73.258   2.045  -4.393
  478   2HG2  VAL  66          2HG2      VAL  66  71.497   2.035  -4.481
  479   3HG2  VAL  66          3HG2      VAL  66  72.300   2.279  -2.931
  480    H    SER  67           H        SER  67  75.471   6.021  -4.745
  481    HA   SER  67           HA       SER  67  77.666   4.420  -4.102
  482   1HB   SER  67          2HB       SER  67  76.804   7.167  -3.839
  483   2HB   SER  67          1HB       SER  67  77.742   6.704  -2.423
  484    HG   SER  67           HG       SER  67  79.267   7.259  -3.848
  485    H    ASP  68           H        ASP  68  78.648   4.512  -1.688
  486    HA   ASP  68           HA       ASP  68  77.027   2.786  -0.065
  487   1HB   ASP  68          2HB       ASP  68  79.392   2.656   0.123
  488   2HB   ASP  68          1HB       ASP  68  79.551   4.402   0.320
  489    H    ASP  69           H        ASP  69  78.246   6.010   0.897
  490    HA   ASP  69           HA       ASP  69  76.569   6.505   3.053
  491   1HB   ASP  69          2HB       ASP  69  78.465   7.890   1.984
  492   2HB   ASP  69          1HB       ASP  69  77.213   8.582   0.949
  493    H    GLU  70           H        GLU  70  75.751   6.711  -0.387
  494    HA   GLU  70           HA       GLU  70  73.231   8.063  -0.059
  495   1HB   GLU  70          2HB       GLU  70  74.878   6.918  -2.114
  496   2HB   GLU  70          1HB       GLU  70  73.222   6.347  -2.334
  497   1HG   GLU  70          2HG       GLU  70  72.937   8.337  -3.405
  498   2HG   GLU  70          1HG       GLU  70  72.779   8.976  -1.770
  499    H    ALA  71           H        ALA  71  74.003   4.598  -0.533
  500    HA   ALA  71           HA       ALA  71  71.310   3.652  -0.227
  501   1HB   ALA  71          1HB       ALA  71  73.734   2.618  -0.932
  502   2HB   ALA  71          2HB       ALA  71  72.344   1.618  -0.513
  503   3HB   ALA  71          3HB       ALA  71  73.578   1.965   0.697
  504    H    GLN  72           H        GLN  72  73.695   4.754   2.045
  505    HA   GLN  72           HA       GLN  72  72.684   3.394   4.395
  506   1HB   GLN  72          2HB       GLN  72  74.538   5.634   3.702
  507   2HB   GLN  72          1HB       GLN  72  73.961   5.545   5.366
  508   1HG   GLN  72          2HG       GLN  72  74.614   2.923   4.856
  509   2HG   GLN  72          1HG       GLN  72  75.849   3.791   3.943
  510   1HE2  GLN  72          1HE2      GLN  72  77.309   5.219   5.146
  511   2HE2  GLN  72          2HE2      GLN  72  77.461   5.090   6.840
  512    H    THR  73           H        THR  73  72.268   6.659   3.035
  513    HA   THR  73           HA       THR  73  70.337   7.538   5.001
  514    HB   THR  73           HB       THR  73  70.430   8.535   2.168
  515    HG1  THR  73           HG1      THR  73  72.446   9.134   2.322
  516   1HG2  THR  73          1HG2      THR  73  70.271   9.771   4.923
  517   2HG2  THR  73          2HG2      THR  73  69.040   9.780   3.660
  518   3HG2  THR  73          3HG2      THR  73  70.513  10.730   3.463
  519    H    LEU  74           H        LEU  74  70.233   5.617   2.097
  520    HA   LEU  74           HA       LEU  74  67.412   5.869   1.512
  521   1HB   LEU  74          2HB       LEU  74  69.586   3.846   0.905
  522   2HB   LEU  74          1HB       LEU  74  67.951   3.674   0.274
  523    HG   LEU  74           HG       LEU  74  69.651   6.150  -0.119
  524   1HD1  LEU  74          1HD1      LEU  74  69.292   4.919  -2.584
  525   2HD1  LEU  74          2HD1      LEU  74  69.634   3.570  -1.500
  526   3HD1  LEU  74          3HD1      LEU  74  70.779   4.905  -1.637
  527   1HD2  LEU  74          1HD2      LEU  74  67.491   6.877  -0.481
  528   2HD2  LEU  74          2HD2      LEU  74  66.907   5.269  -0.903
  529   3HD2  LEU  74          3HD2      LEU  74  67.825   6.212  -2.079
  530    H    ALA  75           H        ALA  75  69.337   3.574   3.451
  531    HA   ALA  75           HA       ALA  75  67.131   1.859   4.172
  532   1HB   ALA  75          1HB       ALA  75  69.588   1.338   4.291
  533   2HB   ALA  75          2HB       ALA  75  68.740   1.001   5.800
  534   3HB   ALA  75          3HB       ALA  75  69.719   2.460   5.645
  535    H    LYS  76           H        LYS  76  68.768   4.542   5.885
  536    HA   LYS  76           HA       LYS  76  67.058   4.555   8.184
  537   1HB   LYS  76          2HB       LYS  76  69.010   6.354   6.820
  538   2HB   LYS  76          1HB       LYS  76  67.939   7.097   8.007
  539   1HG   LYS  76          2HG       LYS  76  68.738   4.785   9.289
  540   2HG   LYS  76          1HG       LYS  76  70.195   5.266   8.416
  541   1HD   LYS  76          2HD       LYS  76  68.650   7.345   9.932
  542   2HD   LYS  76          1HD       LYS  76  69.722   6.256  10.813
  543   1HE   LYS  76          2HE       LYS  76  71.144   7.137   8.502
  544   2HE   LYS  76          1HE       LYS  76  70.445   8.570   9.283
  545   1HZ   LYS  76          1HZ       LYS  76  72.348   8.230  10.524
  546   2HZ   LYS  76          2HZ       LYS  76  72.253   6.536  10.420
  547   3HZ   LYS  76          3HZ       LYS  76  71.194   7.388  11.440
  548    H    TRP  77           H        TRP  77  66.603   5.632   4.924
  549    HA   TRP  77           HA       TRP  77  64.521   7.597   5.498
  550   1HB   TRP  77          2HB       TRP  77  65.939   7.743   3.524
  551   2HB   TRP  77          1HB       TRP  77  65.428   6.135   3.001
  552    HD1  TRP  77           HD1      TRP  77  63.546   9.361   4.061
  553    HE1  TRP  77           HE1      TRP  77  61.647   9.761   2.362
  554    HE3  TRP  77           HE3      TRP  77  64.281   5.374   0.973
  555    HZ2  TRP  77           HZ2      TRP  77  60.583   8.547   0.002
  556    HZ3  TRP  77           HZ3      TRP  77  62.815   5.014  -0.994
  557    HH2  TRP  77           HH2      TRP  77  60.967   6.596  -1.482
  558    H    ILE  78           H        ILE  78  64.563   4.236   4.245
  559    HA   ILE  78           HA       ILE  78  61.722   3.965   3.976
  560    HB   ILE  78           HB       ILE  78  63.955   1.978   4.526
  561   1HG1  ILE  78          2HG1      ILE  78  62.791   1.820   1.904
  562   2HG1  ILE  78          1HG1      ILE  78  63.237   3.497   2.222
  563   1HG2  ILE  78          1HG2      ILE  78  62.011   0.567   3.235
  564   2HG2  ILE  78          2HG2      ILE  78  61.032   1.646   4.229
  565   3HG2  ILE  78          3HG2      ILE  78  62.217   0.581   4.987
  566   1HD1  ILE  78          1HD1      ILE  78  64.955   1.119   1.879
  567   2HD1  ILE  78          2HD1      ILE  78  65.419   2.183   3.207
  568   3HD1  ILE  78          3HD1      ILE  78  65.309   2.818   1.565
  569    H    LEU  79           H        LEU  79  63.931   3.042   6.638
  570    HA   LEU  79           HA       LEU  79  61.801   2.169   8.397
  571   1HB   LEU  79          2HB       LEU  79  64.735   2.784   8.562
  572   2HB   LEU  79          1HB       LEU  79  63.829   2.536  10.055
  573    HG   LEU  79           HG       LEU  79  63.069   0.500   8.190
  574   1HD1  LEU  79          1HD1      LEU  79  65.582   1.305   7.524
  575   2HD1  LEU  79          2HD1      LEU  79  65.016  -0.357   7.359
  576   3HD1  LEU  79          3HD1      LEU  79  65.949   0.120   8.778
  577   1HD2  LEU  79          1HD2      LEU  79  64.197  -0.917  10.027
  578   2HD2  LEU  79          2HD2      LEU  79  62.866   0.126  10.527
  579   3HD2  LEU  79          3HD2      LEU  79  64.532   0.615  10.833
  580    H    SER  80           H        SER  80  62.964   5.246   7.449
  581    HA   SER  80           HA       SER  80  62.268   6.652   9.932
  582   1HB   SER  80          2HB       SER  80  63.369   7.238   7.231
  583   2HB   SER  80          1HB       SER  80  62.523   8.561   8.023
  584    HG   SER  80           HG       SER  80  63.961   8.519   9.654
  585    H    GLN  81           H        GLN  81  60.777   5.927   6.806
  586    HA   GLN  81           HA       GLN  81  58.679   7.714   6.595
  587   1HB   GLN  81          2HB       GLN  81  58.838   4.715   6.245
  588   2HB   GLN  81          1HB       GLN  81  57.399   5.624   5.784
  589   1HG   GLN  81          2HG       GLN  81  60.209   6.091   4.747
  590   2HG   GLN  81          1HG       GLN  81  58.874   5.374   3.845
  591   1HE2  GLN  81          1HE2      GLN  81  60.408   8.339   4.603
  592   2HE2  GLN  81          2HE2      GLN  81  59.192   9.383   4.019
  593    H    LYS  82           H        LYS  82  58.534   4.703   8.545
  594    HA   LYS  82           HA       LYS  82  57.195   5.937  10.771
  595   1HB   LYS  82          2HB       LYS  82  55.542   6.014   8.762
  596   2HB   LYS  82          1HB       LYS  82  55.366   4.280   9.035
  597   1HG   LYS  82          2HG       LYS  82  53.790   4.855  10.558
  598   2HG   LYS  82          1HG       LYS  82  55.148   5.309  11.588
  599   1HD   LYS  82          2HD       LYS  82  54.564   7.477  11.479
  600   2HD   LYS  82          1HD       LYS  82  54.606   7.433   9.716
  601   1HE   LYS  82          2HE       LYS  82  52.320   6.855   9.553
  602   2HE   LYS  82          1HE       LYS  82  52.249   6.309  11.241
  603   1HZ   LYS  82          1HZ       LYS  82  53.020   9.082  10.592
  604   2HZ   LYS  82          2HZ       LYS  82  52.382   8.463  12.040
  605   3HZ   LYS  82          3HZ       LYS  82  51.381   8.655  10.681
  606    HHA  HEM  83           HHA      HEM  83  63.232  -4.947  -0.888
  607    HHB  HEM  83           HHB      HEM  83  65.541   0.986  -0.242
  608    HHC  HEM  83           HHC      HEM  83  64.952   1.691  -6.496
  609    HHD  HEM  83           HHD      HEM  83  61.538  -3.629  -6.760
  610   1HMA  HEM  83          1HMA      HEM  83  66.217  -0.219   1.491
  611   2HMA  HEM  83          2HMA      HEM  83  66.534  -1.875   2.008
  612   3HMA  HEM  83          3HMA      HEM  83  65.039  -1.071   2.487
  613   1HAA  HEM  83          1HAA      HEM  83  63.982  -4.639   1.377
  614   2HAA  HEM  83          2HAA      HEM  83  65.540  -3.985   1.875
  615   1HBA  HEM  83          1HBA      HEM  83  65.558  -4.975  -0.890
  616   2HBA  HEM  83          2HBA      HEM  83  65.172  -6.230   0.286
  617    H2A  HEM  83          3HBB      HEM  83  67.842   2.914  -6.376
  618   1HMB  HEM  83          1HMB      HEM  83  67.259   2.510  -1.074
  619   2HMB  HEM  83          2HMB      HEM  83  65.916   3.645  -1.213
  620   3HMB  HEM  83          3HMB      HEM  83  67.264   3.726  -2.349
  621    HAB  HEM  83           HAB      HEM  83  65.693   3.255  -5.882
  622   1HBB  HEM  83          1HBB      HEM  83  68.174   2.347  -4.740
  623   2HBB  HEM  83          2HBB      HEM  83  68.266   4.067  -5.112
  624   1HMC  HEM  83          1HMC      HEM  83  64.380   1.501  -8.474
  625   2HMC  HEM  83          2HMC      HEM  83  62.991   0.870  -9.358
  626   3HMC  HEM  83          3HMC      HEM  83  64.562   0.079  -9.500
  627    HAC  HEM  83           HAC      HEM  83  61.396  -2.800  -8.461
  628   1HBC  HEM  83          1HBC      HEM  83  61.940  -1.646 -10.892
  629   2HBC  HEM  83          2HBC      HEM  83  62.710  -3.103 -10.262
  630   1HMD  HEM  83          1HMD      HEM  83  60.294  -5.203  -6.160
  631   2HMD  HEM  83          2HMD      HEM  83  60.025  -6.358  -4.854
  632   3HMD  HEM  83          3HMD      HEM  83  61.408  -6.552  -5.933
  633   1HAD  HEM  83          1HAD      HEM  83  60.838  -7.060  -2.991
  634   2HAD  HEM  83          2HAD      HEM  83  61.399  -6.339  -1.486
  635   1HBD  HEM  83          1HBD      HEM  83  63.339  -7.502  -1.526
  636   2HBD  HEM  83          2HBD      HEM  83  63.591  -7.197  -3.245
  637    H2D  HEM  83          3HBC      HEM  83  63.494  -1.534 -10.064
  Start of MODEL    4
    1   1H    GLU   1          1H        GLU   1  67.381  19.816   1.058
    2   2H    GLU   1          2H        GLU   1  66.627  18.940   2.302
    3   3H    GLU   1          3H        GLU   1  66.071  18.799   0.704
    4    HA   GLU   1           HA       GLU   1  67.920  17.560   0.023
    5   1HB   GLU   1          2HB       GLU   1  69.236  19.370   1.513
    6   2HB   GLU   1          1HB       GLU   1  69.332  17.996   2.615
    7   1HG   GLU   1          2HG       GLU   1  70.039  16.703   0.407
    8   2HG   GLU   1          1HG       GLU   1  70.513  18.319  -0.116
    9    H    ASP   2           H        ASP   2  65.506  16.819   1.339
   10    HA   ASP   2           HA       ASP   2  66.049  15.052   3.590
   11   1HB   ASP   2          2HB       ASP   2  63.845  16.198   2.207
   12   2HB   ASP   2          1HB       ASP   2  63.627  14.449   2.149
   13    HA   PRO   3           HA       PRO   3  67.342  11.404   1.503
   14   1HB   PRO   3          2HB       PRO   3  65.554   9.666   2.944
   15   2HB   PRO   3          1HB       PRO   3  67.270   9.952   3.248
   16   1HG   PRO   3          2HG       PRO   3  65.034  10.841   4.817
   17   2HG   PRO   3          1HG       PRO   3  66.751  11.126   5.115
   18   1HD   PRO   3          2HD       PRO   3  64.771  13.030   4.235
   19   2HD   PRO   3          1HD       PRO   3  66.505  13.314   4.523
   20    H    GLU   4           H        GLU   4  64.042  12.410   1.563
   21    HA   GLU   4           HA       GLU   4  62.989  10.355  -0.226
   22   1HB   GLU   4          2HB       GLU   4  61.870  12.025   1.509
   23   2HB   GLU   4          1HB       GLU   4  61.816  13.100   0.111
   24   1HG   GLU   4          2HG       GLU   4  60.931  10.675  -0.914
   25   2HG   GLU   4          1HG       GLU   4  60.201  10.731   0.690
   26    H    VAL   5           H        VAL   5  64.428  13.568  -0.542
   27    HA   VAL   5           HA       VAL   5  63.781  14.012  -3.307
   28    HB   VAL   5           HB       VAL   5  65.961  14.981  -1.439
   29   1HG1  VAL   5          1HG1      VAL   5  65.949  16.872  -3.328
   30   2HG1  VAL   5          2HG1      VAL   5  65.482  15.505  -4.341
   31   3HG1  VAL   5          3HG1      VAL   5  67.001  15.460  -3.447
   32   1HG2  VAL   5          1HG2      VAL   5  63.496  15.570  -1.072
   33   2HG2  VAL   5          2HG2      VAL   5  63.587  16.465  -2.590
   34   3HG2  VAL   5          3HG2      VAL   5  64.600  16.937  -1.226
   35    H    LEU   6           H        LEU   6  66.713  12.728  -1.719
   36    HA   LEU   6           HA       LEU   6  68.066  12.098  -4.197
   37   1HB   LEU   6          2HB       LEU   6  69.662  11.059  -2.730
   38   2HB   LEU   6          1HB       LEU   6  69.027  12.450  -1.852
   39    HG   LEU   6           HG       LEU   6  67.268  10.738  -0.937
   40   1HD1  LEU   6          1HD1      LEU   6  67.552   8.650  -1.757
   41   2HD1  LEU   6          2HD1      LEU   6  69.005   8.561  -0.761
   42   3HD1  LEU   6          3HD1      LEU   6  69.121   9.062  -2.448
   43   1HD2  LEU   6          1HD2      LEU   6  68.909  11.831   0.486
   44   2HD2  LEU   6          2HD2      LEU   6  70.188  10.773  -0.109
   45   3HD2  LEU   6          3HD2      LEU   6  68.887  10.113   0.883
   46    H    ALA   7           H        ALA   7  65.796  10.404  -2.107
   47    HA   ALA   7           HA       ALA   7  66.122   7.741  -3.044
   48   1HB   ALA   7          1HB       ALA   7  64.666   7.832  -1.273
   49   2HB   ALA   7          2HB       ALA   7  63.448   7.972  -2.540
   50   3HB   ALA   7          3HB       ALA   7  64.055   9.420  -1.737
   51    H    LYS   8           H        LYS   8  63.772  10.214  -4.160
   52    HA   LYS   8           HA       LYS   8  62.742   8.779  -6.376
   53   1HB   LYS   8          2HB       LYS   8  62.447  11.258  -5.168
   54   2HB   LYS   8          1HB       LYS   8  63.080  11.672  -6.762
   55   1HG   LYS   8          2HG       LYS   8  61.054   9.591  -6.939
   56   2HG   LYS   8          1HG       LYS   8  60.423  11.036  -6.148
   57   1HD   LYS   8          2HD       LYS   8  62.040  11.261  -8.680
   58   2HD   LYS   8          1HD       LYS   8  60.313  10.905  -8.748
   59   1HE   LYS   8          2HE       LYS   8  60.010  12.955  -7.198
   60   2HE   LYS   8          1HE       LYS   8  61.673  13.376  -7.656
   61   1HZ   LYS   8          1HZ       LYS   8  60.676  14.283  -9.445
   62   2HZ   LYS   8          2HZ       LYS   8  59.263  13.354  -9.274
   63   3HZ   LYS   8          3HZ       LYS   8  60.637  12.688 -10.020
   64    H    ASN   9           H        ASN   9  65.526  11.014  -6.184
   65    HA   ASN   9           HA       ASN   9  66.253  11.074  -8.912
   66   1HB   ASN   9          2HB       ASN   9  68.149  10.941  -6.552
   67   2HB   ASN   9          1HB       ASN   9  68.387  11.806  -8.070
   68   1HD2  ASN   9          1HD2      ASN   9  65.326  12.536  -7.824
   69   2HD2  ASN   9          2HD2      ASN   9  65.348  13.867  -6.758
   70    H    LYS  10           H        LYS  10  66.736   8.541  -6.504
   71    HA   LYS  10           HA       LYS  10  68.521   7.002  -8.292
   72   1HB   LYS  10          2HB       LYS  10  67.288   6.300  -5.609
   73   2HB   LYS  10          1HB       LYS  10  68.702   5.549  -6.354
   74   1HG   LYS  10          2HG       LYS  10  68.684   8.513  -5.842
   75   2HG   LYS  10          1HG       LYS  10  69.053   7.397  -4.526
   76   1HD   LYS  10          2HD       LYS  10  70.681   6.325  -6.304
   77   2HD   LYS  10          1HD       LYS  10  70.576   7.918  -7.054
   78   1HE   LYS  10          2HE       LYS  10  71.022   7.928  -4.117
   79   2HE   LYS  10          1HE       LYS  10  72.375   7.342  -5.106
   80   1HZ   LYS  10          1HZ       LYS  10  72.210   9.291  -6.486
   81   2HZ   LYS  10          2HZ       LYS  10  72.374   9.782  -4.868
   82   3HZ   LYS  10          3HZ       LYS  10  70.855   9.843  -5.628
   83    H    GLY  11           H        GLY  11  65.153   7.194  -7.414
   84   1HA   GLY  11          2HA       GLY  11  63.459   6.173  -8.842
   85   2HA   GLY  11          1HA       GLY  11  64.606   4.886  -9.217
   86    H    CYS  12           H        CYS  12  64.583   5.784  -5.915
   87    HA   CYS  12           HA       CYS  12  63.711   3.185  -5.053
   88   1HB   CYS  12          2HB       CYS  12  63.727   5.763  -3.470
   89   2HB   CYS  12          1HB       CYS  12  63.965   4.128  -2.855
   90    H    MET  13           H        MET  13  62.027   6.292  -5.386
   91    HA   MET  13           HA       MET  13  59.569   5.308  -4.141
   92   1HB   MET  13          2HB       MET  13  60.167   7.783  -5.793
   93   2HB   MET  13          1HB       MET  13  58.784   7.553  -4.719
   94   1HG   MET  13          2HG       MET  13  60.838   6.979  -3.023
   95   2HG   MET  13          1HG       MET  13  61.596   8.188  -4.059
   96   1HE   MET  13          1HE       MET  13  57.570   8.469  -2.076
   97   2HE   MET  13          2HE       MET  13  58.824   7.953  -0.950
   98   3HE   MET  13          3HE       MET  13  58.572   7.058  -2.446
   99    H    ALA  14           H        ALA  14  60.910   4.489  -7.010
  100    HA   ALA  14           HA       ALA  14  58.577   4.856  -8.753
  101   1HB   ALA  14          1HB       ALA  14  61.106   3.226  -9.114
  102   2HB   ALA  14          2HB       ALA  14  60.979   4.946  -9.480
  103   3HB   ALA  14          3HB       ALA  14  60.022   3.778 -10.391
  104    H    CYS  15           H        CYS  15  60.223   2.139  -7.144
  105    HA   CYS  15           HA       CYS  15  57.987   0.324  -7.912
  106   1HB   CYS  15          2HB       CYS  15  60.754  -0.048  -6.739
  107   2HB   CYS  15          1HB       CYS  15  59.634  -1.377  -7.018
  108    H    HIS  16           H        HIS  16  59.267   2.072  -5.181
  109    HA   HIS  16           HA       HIS  16  57.835   0.301  -3.260
  110   1HB   HIS  16          2HB       HIS  16  60.016   2.339  -3.198
  111   2HB   HIS  16          1HB       HIS  16  59.078   2.093  -1.723
  112    HD1  HIS  16           HD1      HIS  16  58.690  -0.757  -1.380
  113    HD2  HIS  16           HD2      HIS  16  62.198   0.659  -3.143
  114    HE1  HIS  16           HE1      HIS  16  60.406  -2.603  -1.141
  115    H    ALA  17           H        ALA  17  56.645   1.411  -1.488
  116    HA   ALA  17           HA       ALA  17  55.417   4.032  -2.163
  117   1HB   ALA  17          1HB       ALA  17  53.595   2.969  -2.999
  118   2HB   ALA  17          2HB       ALA  17  53.296   2.359  -1.371
  119   3HB   ALA  17          3HB       ALA  17  54.232   1.397  -2.515
  120    H    ILE  18           H        ILE  18  55.491   5.175  -0.263
  121    HA   ILE  18           HA       ILE  18  56.437   4.479   2.196
  122    HB   ILE  18           HB       ILE  18  54.109   6.258   1.436
  123   1HG1  ILE  18          2HG1      ILE  18  56.262   7.773   2.316
  124   2HG1  ILE  18          1HG1      ILE  18  57.034   6.440   1.456
  125   1HG2  ILE  18          1HG2      ILE  18  53.839   5.716   3.795
  126   2HG2  ILE  18          2HG2      ILE  18  54.481   7.353   3.659
  127   3HG2  ILE  18          3HG2      ILE  18  55.550   6.020   4.095
  128   1HD1  ILE  18          1HD1      ILE  18  56.417   7.288  -0.536
  129   2HD1  ILE  18          2HD1      ILE  18  55.834   8.719   0.315
  130   3HD1  ILE  18          3HD1      ILE  18  54.732   7.384  -0.021
  131    H    ASP  19           H        ASP  19  53.278   3.553   0.941
  132    HA   ASP  19           HA       ASP  19  52.983   1.649   3.187
  133   1HB   ASP  19          2HB       ASP  19  51.784   4.241   3.162
  134   2HB   ASP  19          1HB       ASP  19  50.496   3.054   2.946
  135    H    THR  20           H        THR  20  51.675   3.017   0.183
  136    HA   THR  20           HA       THR  20  49.756   0.918  -0.306
  137    HB   THR  20           HB       THR  20  49.809   1.920  -2.599
  138    HG1  THR  20           HG1      THR  20  51.254   3.855  -2.639
  139   1HG2  THR  20          1HG2      THR  20  49.775   3.764  -0.207
  140   2HG2  THR  20          2HG2      THR  20  48.397   3.016  -1.014
  141   3HG2  THR  20          3HG2      THR  20  49.305   4.292  -1.823
  142    H    LYS  21           H        LYS  21  49.971  -0.842  -1.847
  143    HA   LYS  21           HA       LYS  21  52.726  -1.926  -1.976
  144   1HB   LYS  21          2HB       LYS  21  49.920  -2.971  -2.178
  145   2HB   LYS  21          1HB       LYS  21  51.248  -3.938  -2.820
  146   1HG   LYS  21          2HG       LYS  21  51.502  -4.697  -0.702
  147   2HG   LYS  21          1HG       LYS  21  52.222  -3.124  -0.364
  148   1HD   LYS  21          2HD       LYS  21  50.569  -2.956   1.193
  149   2HD   LYS  21          1HD       LYS  21  49.559  -2.529  -0.189
  150   1HE   LYS  21          2HE       LYS  21  48.449  -4.310   1.061
  151   2HE   LYS  21          1HE       LYS  21  49.043  -4.994  -0.466
  152   1HZ   LYS  21          1HZ       LYS  21  50.051  -6.459   0.901
  153   2HZ   LYS  21          2HZ       LYS  21  49.993  -5.424   2.247
  154   3HZ   LYS  21          3HZ       LYS  21  51.205  -5.228   1.072
  155    H    MET  22           H        MET  22  53.867  -1.702  -3.847
  156    HA   MET  22           HA       MET  22  52.348  -1.487  -6.428
  157   1HB   MET  22          2HB       MET  22  54.650   0.043  -5.244
  158   2HB   MET  22          1HB       MET  22  54.525  -0.097  -7.000
  159   1HG   MET  22          2HG       MET  22  51.979   0.579  -6.450
  160   2HG   MET  22          1HG       MET  22  52.774   1.360  -5.083
  161   1HE   MET  22          1HE       MET  22  55.520   3.372  -6.543
  162   2HE   MET  22          2HE       MET  22  55.792   1.863  -7.410
  163   3HE   MET  22          3HE       MET  22  55.296   1.822  -5.720
  164    H    VAL  23           H        VAL  23  55.821  -1.459  -6.378
  165    HA   VAL  23           HA       VAL  23  55.854  -4.118  -7.681
  166    HB   VAL  23           HB       VAL  23  57.857  -1.867  -7.341
  167   1HG1  VAL  23          1HG1      VAL  23  58.571  -3.801  -9.358
  168   2HG1  VAL  23          2HG1      VAL  23  58.384  -4.610  -7.803
  169   3HG1  VAL  23          3HG1      VAL  23  59.510  -3.262  -7.966
  170   1HG2  VAL  23          1HG2      VAL  23  57.253  -1.202  -9.453
  171   2HG2  VAL  23          2HG2      VAL  23  55.737  -1.990  -9.017
  172   3HG2  VAL  23          3HG2      VAL  23  56.930  -2.850  -9.990
  173    H    GLY  24           H        GLY  24  57.126  -2.400  -4.871
  174   1HA   GLY  24          2HA       GLY  24  58.039  -5.028  -3.767
  175   2HA   GLY  24          1HA       GLY  24  58.916  -3.521  -3.467
  176    HA   PRO  25           HA       PRO  25  55.634  -4.286  -0.171
  177   1HB   PRO  25          2HB       PRO  25  57.741  -4.269   1.789
  178   2HB   PRO  25          1HB       PRO  25  56.690  -5.615   1.335
  179   1HG   PRO  25          2HG       PRO  25  59.464  -5.383   0.807
  180   2HG   PRO  25          1HG       PRO  25  58.362  -6.612   0.179
  181   1HD   PRO  25          2HD       PRO  25  59.558  -4.324  -1.224
  182   2HD   PRO  25          1HD       PRO  25  58.710  -5.736  -1.904
  183    H    ALA  26           H        ALA  26  54.754  -2.423   0.690
  184    HA   ALA  26           HA       ALA  26  55.637   0.160   0.306
  185   1HB   ALA  26          1HB       ALA  26  54.398   0.394   2.707
  186   2HB   ALA  26          2HB       ALA  26  53.932  -1.255   2.290
  187   3HB   ALA  26          3HB       ALA  26  53.526   0.076   1.208
  188    H    TYR  27           H        TYR  27  56.891   1.668   1.543
  189    HA   TYR  27           HA       TYR  27  59.275   0.696   2.742
  190   1HB   TYR  27          2HB       TYR  27  57.773   3.302   2.636
  191   2HB   TYR  27          1HB       TYR  27  59.267   3.186   3.557
  192    HD1  TYR  27           HD1      TYR  27  60.827   1.263   1.912
  193    HD2  TYR  27           HD2      TYR  27  58.348   4.568   0.733
  194    HE1  TYR  27           HE1      TYR  27  62.132   1.498  -0.182
  195    HE2  TYR  27           HE2      TYR  27  59.658   4.804  -1.358
  196    HH   TYR  27           HH       TYR  27  61.442   4.118  -2.494
  197    H    LYS  28           H        LYS  28  56.493   2.312   4.378
  198    HA   LYS  28           HA       LYS  28  57.312   1.949   7.030
  199   1HB   LYS  28          2HB       LYS  28  55.207   3.044   5.877
  200   2HB   LYS  28          1HB       LYS  28  54.466   1.473   6.188
  201   1HG   LYS  28          2HG       LYS  28  55.921   2.961   8.366
  202   2HG   LYS  28          1HG       LYS  28  54.226   3.297   8.009
  203   1HD   LYS  28          2HD       LYS  28  54.303   0.529   8.086
  204   2HD   LYS  28          1HD       LYS  28  55.420   0.990   9.371
  205   1HE   LYS  28          2HE       LYS  28  53.350   2.744   9.809
  206   2HE   LYS  28          1HE       LYS  28  52.488   1.298   9.249
  207   1HZ   LYS  28          1HZ       LYS  28  54.410   1.533  11.488
  208   2HZ   LYS  28          2HZ       LYS  28  54.055   0.032  10.774
  209   3HZ   LYS  28          3HZ       LYS  28  52.824   0.931  11.523
  210    H    ASP  29           H        ASP  29  55.374  -0.290   5.039
  211    HA   ASP  29           HA       ASP  29  55.069  -2.400   6.883
  212   1HB   ASP  29          2HB       ASP  29  55.242  -2.080   3.916
  213   2HB   ASP  29          1HB       ASP  29  55.278  -3.722   4.560
  214    H    VAL  30           H        VAL  30  57.810  -1.730   4.691
  215    HA   VAL  30           HA       VAL  30  59.362  -4.037   5.128
  216    HB   VAL  30           HB       VAL  30  60.066  -1.127   4.684
  217   1HG1  VAL  30          1HG1      VAL  30  62.221  -1.620   5.077
  218   2HG1  VAL  30          2HG1      VAL  30  62.152  -2.829   3.795
  219   3HG1  VAL  30          3HG1      VAL  30  61.791  -3.288   5.460
  220   1HG2  VAL  30          1HG2      VAL  30  60.627  -3.109   2.603
  221   2HG2  VAL  30          2HG2      VAL  30  59.756  -1.580   2.487
  222   3HG2  VAL  30          3HG2      VAL  30  58.918  -3.034   3.029
  223    H    ALA  31           H        ALA  31  59.193  -1.044   7.045
  224    HA   ALA  31           HA       ALA  31  61.179  -1.907   8.987
  225   1HB   ALA  31          1HB       ALA  31  59.667   0.402   8.299
  226   2HB   ALA  31          2HB       ALA  31  60.978   0.291   9.475
  227   3HB   ALA  31          3HB       ALA  31  59.309   0.043   9.989
  228    H    ALA  32           H        ALA  32  57.747  -2.397   8.575
  229    HA   ALA  32           HA       ALA  32  57.053  -2.993  11.297
  230   1HB   ALA  32          1HB       ALA  32  55.648  -2.544   9.124
  231   2HB   ALA  32          2HB       ALA  32  55.011  -3.655  10.337
  232   3HB   ALA  32          3HB       ALA  32  55.793  -4.286   8.888
  233    H    LYS  33           H        LYS  33  58.399  -4.936   8.663
  234    HA   LYS  33           HA       LYS  33  58.183  -7.427  10.219
  235   1HB   LYS  33          2HB       LYS  33  57.835  -7.512   7.832
  236   2HB   LYS  33          1HB       LYS  33  59.361  -6.675   7.529
  237   1HG   LYS  33          2HG       LYS  33  60.641  -8.547   8.318
  238   2HG   LYS  33          1HG       LYS  33  59.201  -9.343   8.950
  239   1HD   LYS  33          2HD       LYS  33  58.907  -8.712   6.126
  240   2HD   LYS  33          1HD       LYS  33  60.324  -9.721   6.417
  241   1HE   LYS  33          2HE       LYS  33  58.269 -10.782   8.055
  242   2HE   LYS  33          1HE       LYS  33  57.546 -10.498   6.459
  243   1HZ   LYS  33          1HZ       LYS  33  58.966 -12.643   6.927
  244   2HZ   LYS  33          2HZ       LYS  33  60.259 -11.597   6.580
  245   3HZ   LYS  33          3HZ       LYS  33  59.038 -11.856   5.427
  246    H    TYR  34           H        TYR  34  60.853  -5.417   8.902
  247    HA   TYR  34           HA       TYR  34  62.895  -6.929  10.331
  248   1HB   TYR  34          2HB       TYR  34  62.698  -4.464   8.631
  249   2HB   TYR  34          1HB       TYR  34  64.178  -4.736   9.561
  250    HD1  TYR  34           HD1      TYR  34  63.190  -5.005   6.396
  251    HD2  TYR  34           HD2      TYR  34  64.475  -7.633   9.541
  252    HE1  TYR  34           HE1      TYR  34  63.958  -6.651   4.708
  253    HE2  TYR  34           HE2      TYR  34  65.244  -9.279   7.854
  254    HH   TYR  34           HH       TYR  34  64.622  -9.815   5.394
  255    H    ALA  35           H        ALA  35  60.576  -4.852  11.457
  256    HA   ALA  35           HA       ALA  35  61.938  -3.005  13.137
  257   1HB   ALA  35          1HB       ALA  35  59.735  -2.536  13.334
  258   2HB   ALA  35          2HB       ALA  35  59.616  -3.885  14.462
  259   3HB   ALA  35          3HB       ALA  35  59.295  -4.141  12.748
  260    H    GLY  36           H        GLY  36  63.227  -3.363  14.900
  261   1HA   GLY  36          2HA       GLY  36  63.521  -4.397  17.116
  262   2HA   GLY  36          1HA       GLY  36  62.825  -5.880  16.459
  263    H    GLN  37           H        GLN  37  65.162  -3.998  14.646
  264    HA   GLN  37           HA       GLN  37  67.138  -6.225  15.027
  265   1HB   GLN  37          2HB       GLN  37  65.978  -4.843  12.735
  266   2HB   GLN  37          1HB       GLN  37  67.741  -4.810  12.690
  267   1HG   GLN  37          2HG       GLN  37  66.604  -7.414  13.474
  268   2HG   GLN  37          1HG       GLN  37  66.208  -6.918  11.827
  269   1HE2  GLN  37          1HE2      GLN  37  68.161  -6.176  10.471
  270   2HE2  GLN  37          2HE2      GLN  37  69.647  -6.970  10.737
  271    H    ALA  38           H        ALA  38  69.223  -5.649  15.647
  272    HA   ALA  38           HA       ALA  38  69.668  -2.853  16.472
  273   1HB   ALA  38          1HB       ALA  38  71.773  -4.924  16.751
  274   2HB   ALA  38          2HB       ALA  38  70.242  -5.285  17.546
  275   3HB   ALA  38          3HB       ALA  38  71.125  -3.815  17.958
  276    H    GLY  39           H        GLY  39  69.587  -3.231  13.613
  277   1HA   GLY  39          2HA       GLY  39  71.592  -1.733  12.582
  278   2HA   GLY  39          1HA       GLY  39  72.389  -3.301  12.707
  279    H    ALA  40           H        ALA  40  69.130  -2.220  11.673
  280    HA   ALA  40           HA       ALA  40  69.166  -4.215   9.508
  281   1HB   ALA  40          1HB       ALA  40  67.223  -3.524  11.077
  282   2HB   ALA  40          2HB       ALA  40  66.852  -3.698   9.361
  283   3HB   ALA  40          3HB       ALA  40  67.087  -2.094  10.055
  284    H    GLU  41           H        GLU  41  69.922  -0.870   9.922
  285    HA   GLU  41           HA       GLU  41  69.377  -0.026   7.186
  286   1HB   GLU  41          2HB       GLU  41  71.237   1.137   9.288
  287   2HB   GLU  41          1HB       GLU  41  70.513   1.998   7.929
  288   1HG   GLU  41          2HG       GLU  41  68.518   2.244   8.991
  289   2HG   GLU  41          1HG       GLU  41  68.567   0.611   9.657
  290    H    ALA  42           H        ALA  42  72.151  -1.339   8.952
  291    HA   ALA  42           HA       ALA  42  74.149  -0.843   6.944
  292   1HB   ALA  42          1HB       ALA  42  74.623  -1.395   9.295
  293   2HB   ALA  42          2HB       ALA  42  75.370  -2.595   8.240
  294   3HB   ALA  42          3HB       ALA  42  73.872  -2.978   9.090
  295    H    TYR  43           H        TYR  43  72.218  -3.773   7.703
  296    HA   TYR  43           HA       TYR  43  73.170  -5.243   5.388
  297   1HB   TYR  43          2HB       TYR  43  72.309  -6.295   7.444
  298   2HB   TYR  43          1HB       TYR  43  70.741  -5.522   7.200
  299    HD1  TYR  43           HD1      TYR  43  69.066  -6.731   6.126
  300    HD2  TYR  43           HD2      TYR  43  73.177  -7.710   5.364
  301    HE1  TYR  43           HE1      TYR  43  68.349  -8.636   4.710
  302    HE2  TYR  43           HE2      TYR  43  72.461  -9.614   3.947
  303    HH   TYR  43           HH       TYR  43  69.365 -10.856   3.969
  304    H    LEU  44           H        LEU  44  70.484  -3.069   6.039
  305    HA   LEU  44           HA       LEU  44  68.998  -3.606   3.619
  306   1HB   LEU  44          2HB       LEU  44  69.193  -1.448   5.708
  307   2HB   LEU  44          1HB       LEU  44  68.270  -1.124   4.238
  308    HG   LEU  44           HG       LEU  44  67.835  -3.610   5.906
  309   1HD1  LEU  44          1HD1      LEU  44  66.309  -2.526   7.252
  310   2HD1  LEU  44          2HD1      LEU  44  65.939  -1.307   6.032
  311   3HD1  LEU  44          3HD1      LEU  44  67.424  -1.188   6.975
  312   1HD2  LEU  44          1HD2      LEU  44  65.756  -2.274   4.225
  313   2HD2  LEU  44          2HD2      LEU  44  66.018  -3.991   4.531
  314   3HD2  LEU  44          3HD2      LEU  44  67.051  -3.130   3.390
  315    H    ALA  45           H        ALA  45  71.814  -1.724   4.467
  316    HA   ALA  45           HA       ALA  45  71.868  -0.098   2.056
  317   1HB   ALA  45          1HB       ALA  45  74.438  -0.275   3.149
  318   2HB   ALA  45          2HB       ALA  45  73.362  -0.514   4.525
  319   3HB   ALA  45          3HB       ALA  45  73.224   0.944   3.542
  320    H    GLN  46           H        GLN  46  73.232  -3.221   3.066
  321    HA   GLN  46           HA       GLN  46  74.961  -3.464   0.729
  322   1HB   GLN  46          2HB       GLN  46  74.021  -5.142   3.023
  323   2HB   GLN  46          1HB       GLN  46  74.745  -5.968   1.643
  324   1HG   GLN  46          2HG       GLN  46  76.761  -4.605   1.830
  325   2HG   GLN  46          1HG       GLN  46  76.035  -3.669   3.137
  326   1HE2  GLN  46          1HE2      GLN  46  75.372  -7.109   3.015
  327   2HE2  GLN  46          2HE2      GLN  46  76.378  -7.544   4.324
  328    H    ARG  47           H        ARG  47  71.685  -4.549   1.572
  329    HA   ARG  47           HA       ARG  47  71.379  -6.075  -0.921
  330   1HB   ARG  47          2HB       ARG  47  69.493  -5.203   1.294
  331   2HB   ARG  47          1HB       ARG  47  69.040  -6.295  -0.015
  332   1HG   ARG  47          2HG       ARG  47  71.485  -6.904   1.614
  333   2HG   ARG  47          1HG       ARG  47  69.895  -7.281   2.276
  334   1HD   ARG  47          2HD       ARG  47  69.388  -8.782   0.492
  335   2HD   ARG  47          1HD       ARG  47  70.732  -8.175  -0.497
  336    HE   ARG  47           HE       ARG  47  70.968 -10.129   1.628
  337   1HH1  ARG  47          1HH1      ARG  47  72.473  -7.446   0.060
  338   2HH1  ARG  47          2HH1      ARG  47  74.079  -7.939   0.479
  339   1HH2  ARG  47          1HH2      ARG  47  73.058 -10.776   2.185
  340   2HH2  ARG  47          2HH2      ARG  47  74.410  -9.819   1.680
  341    H    ILE  48           H        ILE  48  71.041  -2.800   0.074
  342    HA   ILE  48           HA       ILE  48  69.060  -2.100  -1.997
  343    HB   ILE  48           HB       ILE  48  70.651  -0.679   0.137
  344   1HG1  ILE  48          2HG1      ILE  48  67.677  -0.710  -0.447
  345   2HG1  ILE  48          1HG1      ILE  48  68.467  -1.904   0.583
  346   1HG2  ILE  48          1HG2      ILE  48  69.048   1.294  -0.834
  347   2HG2  ILE  48          2HG2      ILE  48  69.476   0.467  -2.331
  348   3HG2  ILE  48          3HG2      ILE  48  70.743   1.108  -1.286
  349   1HD1  ILE  48          1HD1      ILE  48  69.464   0.275   1.743
  350   2HD1  ILE  48          2HD1      ILE  48  67.874  -0.344   2.186
  351   3HD1  ILE  48          3HD1      ILE  48  68.011   1.013   1.067
  352    H    LYS  49           H        LYS  49  72.552  -2.067  -1.515
  353    HA   LYS  49           HA       LYS  49  73.056  -0.451  -3.923
  354   1HB   LYS  49          2HB       LYS  49  74.573  -0.185  -2.104
  355   2HB   LYS  49          1HB       LYS  49  74.706  -1.928  -1.863
  356   1HG   LYS  49          2HG       LYS  49  75.760  -2.083  -4.150
  357   2HG   LYS  49          1HG       LYS  49  75.790  -0.319  -4.190
  358   1HD   LYS  49          2HD       LYS  49  76.931  -0.701  -1.783
  359   2HD   LYS  49          1HD       LYS  49  77.423  -2.204  -2.565
  360   1HE   LYS  49          2HE       LYS  49  77.992  -0.473  -4.564
  361   2HE   LYS  49          1HE       LYS  49  78.252   0.589  -3.166
  362   1HZ   LYS  49          1HZ       LYS  49  79.340  -2.167  -3.380
  363   2HZ   LYS  49          2HZ       LYS  49  79.685  -1.020  -2.176
  364   3HZ   LYS  49          3HZ       LYS  49  80.228  -0.773  -3.767
  365    H    ASN  50           H        ASN  50  72.577  -3.774  -3.114
  366    HA   ASN  50           HA       ASN  50  73.533  -4.581  -5.842
  367   1HB   ASN  50          2HB       ASN  50  75.073  -5.448  -4.238
  368   2HB   ASN  50          1HB       ASN  50  73.777  -5.897  -3.129
  369   1HD2  ASN  50          1HD2      ASN  50  73.502  -8.125  -3.117
  370   2HD2  ASN  50          2HD2      ASN  50  73.631  -9.137  -4.486
  371    H    GLY  51           H        GLY  51  70.867  -4.177  -3.908
  372   1HA   GLY  51          2HA       GLY  51  68.686  -5.059  -3.904
  373   2HA   GLY  51          1HA       GLY  51  68.995  -5.389  -5.606
  374    H    SER  52           H        SER  52  67.486  -7.313  -4.827
  375    HA   SER  52           HA       SER  52  68.938  -9.748  -4.896
  376   1HB   SER  52          2HB       SER  52  68.528 -10.195  -2.295
  377   2HB   SER  52          1HB       SER  52  69.993  -9.404  -2.872
  378    HG   SER  52           HG       SER  52  69.380  -7.771  -1.719
  379    H    GLN  53           H        GLN  53  67.586 -11.661  -4.485
  380    HA   GLN  53           HA       GLN  53  64.669 -11.001  -4.413
  381   1HB   GLN  53          2HB       GLN  53  64.447 -12.568  -6.061
  382   2HB   GLN  53          1HB       GLN  53  66.178 -12.361  -6.255
  383   1HG   GLN  53          2HG       GLN  53  65.814 -14.282  -4.181
  384   2HG   GLN  53          1HG       GLN  53  64.739 -14.722  -5.503
  385   1HE2  GLN  53          1HE2      GLN  53  68.045 -13.277  -5.337
  386   2HE2  GLN  53          2HE2      GLN  53  68.740 -14.387  -6.429
  387    H    GLY  54           H        GLY  54  63.683 -13.526  -3.730
  388   1HA   GLY  54          2HA       GLY  54  63.141 -14.754  -1.802
  389   2HA   GLY  54          1HA       GLY  54  64.886 -14.852  -1.559
  390    H    VAL  55           H        VAL  55  63.547 -11.687  -1.697
  391    HA   VAL  55           HA       VAL  55  64.142 -11.310   1.187
  392    HB   VAL  55           HB       VAL  55  63.364  -9.281  -0.928
  393   1HG1  VAL  55          1HG1      VAL  55  63.792  -9.015   1.779
  394   2HG1  VAL  55          2HG1      VAL  55  63.965  -7.718   0.596
  395   3HG1  VAL  55          3HG1      VAL  55  65.380  -8.637   1.109
  396   1HG2  VAL  55          1HG2      VAL  55  65.206 -10.139  -2.011
  397   2HG2  VAL  55          2HG2      VAL  55  65.886 -10.820  -0.533
  398   3HG2  VAL  55          3HG2      VAL  55  66.049  -9.096  -0.866
  399    H    TRP  56           H        TRP  56  61.640  -9.964  -0.977
  400    HA   TRP  56           HA       TRP  56  59.623 -10.374   1.193
  401   1HB   TRP  56          2HB       TRP  56  59.894  -8.442  -1.132
  402   2HB   TRP  56          1HB       TRP  56  58.470  -8.524  -0.095
  403    HD1  TRP  56           HD1      TRP  56  62.026  -7.301  -0.211
  404    HE1  TRP  56           HE1      TRP  56  62.560  -5.983   1.936
  405    HE3  TRP  56           HE3      TRP  56  57.856  -8.367   2.542
  406    HZ2  TRP  56           HZ2      TRP  56  61.379  -5.447   4.482
  407    HZ3  TRP  56           HZ3      TRP  56  57.590  -7.437   4.826
  408    HH2  TRP  56           HH2      TRP  56  59.343  -5.979   5.797
  409    H    GLY  57           H        GLY  57  60.269 -10.641  -2.278
  410   1HA   GLY  57          2HA       GLY  57  58.414 -12.911  -2.484
  411   2HA   GLY  57          1HA       GLY  57  57.966 -11.493  -3.436
  412    HA   PRO  58           HA       PRO  58  60.993 -14.138  -5.850
  413   1HB   PRO  58          2HB       PRO  58  59.090 -14.082  -8.010
  414   2HB   PRO  58          1HB       PRO  58  59.593 -15.471  -7.043
  415   1HG   PRO  58          2HG       PRO  58  57.055 -14.201  -7.010
  416   2HG   PRO  58          1HG       PRO  58  57.623 -15.472  -5.923
  417   1HD   PRO  58          2HD       PRO  58  57.241 -12.619  -5.368
  418   2HD   PRO  58          1HD       PRO  58  57.547 -13.951  -4.223
  419    H    ILE  59           H        ILE  59  59.887 -11.022  -5.815
  420    HA   ILE  59           HA       ILE  59  61.061 -10.303  -8.467
  421    HB   ILE  59           HB       ILE  59  59.448  -8.612  -6.535
  422   1HG1  ILE  59          2HG1      ILE  59  58.533 -10.409  -8.803
  423   2HG1  ILE  59          1HG1      ILE  59  58.085 -10.536  -7.100
  424   1HG2  ILE  59          1HG2      ILE  59  59.684  -6.993  -8.084
  425   2HG2  ILE  59          2HG2      ILE  59  59.142  -8.079  -9.364
  426   3HG2  ILE  59          3HG2      ILE  59  60.846  -8.030  -8.911
  427   1HD1  ILE  59          1HD1      ILE  59  57.188  -8.547  -9.152
  428   2HD1  ILE  59          2HD1      ILE  59  57.279  -8.037  -7.466
  429   3HD1  ILE  59          3HD1      ILE  59  56.243  -9.390  -7.923
  430    HA   PRO  60           HA       PRO  60  64.410  -9.411  -5.349
  431   1HB   PRO  60          2HB       PRO  60  66.146  -9.405  -7.642
  432   2HB   PRO  60          1HB       PRO  60  66.073 -10.586  -6.340
  433   1HG   PRO  60          2HG       PRO  60  65.115 -10.838  -9.066
  434   2HG   PRO  60          1HG       PRO  60  65.205 -12.082  -7.817
  435   1HD   PRO  60          2HD       PRO  60  62.840 -10.897  -8.825
  436   2HD   PRO  60          1HD       PRO  60  62.975 -11.905  -7.362
  437    H    MET  61           H        MET  61  65.371  -7.384  -5.003
  438    HA   MET  61           HA       MET  61  64.405  -5.133  -6.564
  439   1HB   MET  61          2HB       MET  61  64.816  -5.109  -4.131
  440   2HB   MET  61          1HB       MET  61  66.531  -5.413  -4.415
  441   1HG   MET  61          2HG       MET  61  65.945  -3.229  -6.055
  442   2HG   MET  61          1HG       MET  61  65.061  -2.912  -4.567
  443   1HE   MET  61          1HE       MET  61  66.754  -4.675  -2.637
  444   2HE   MET  61          2HE       MET  61  66.187  -3.088  -2.129
  445   3HE   MET  61          3HE       MET  61  67.876  -3.526  -1.898
  446    HA   PRO  62           HA       PRO  62  67.775  -5.326  -9.511
  447   1HB   PRO  62          2HB       PRO  62  67.230  -2.604 -10.274
  448   2HB   PRO  62          1HB       PRO  62  66.781  -4.081 -11.135
  449   1HG   PRO  62          2HG       PRO  62  65.039  -2.286  -9.774
  450   2HG   PRO  62          1HG       PRO  62  64.616  -3.829 -10.521
  451   1HD   PRO  62          2HD       PRO  62  64.828  -3.183  -7.682
  452   2HD   PRO  62          1HD       PRO  62  64.219  -4.676  -8.441
  453    HA   PRO  63           HA       PRO  63  70.768  -3.414  -6.776
  454   1HB   PRO  63          2HB       PRO  63  72.759  -3.570  -8.840
  455   2HB   PRO  63          1HB       PRO  63  72.566  -4.614  -7.428
  456   1HG   PRO  63          2HG       PRO  63  71.985  -5.225 -10.196
  457   2HG   PRO  63          1HG       PRO  63  71.905  -6.296  -8.794
  458   1HD   PRO  63          2HD       PRO  63  69.703  -5.241 -10.278
  459   2HD   PRO  63          1HD       PRO  63  69.624  -6.171  -8.759
  460    H    ASN  64           H        ASN  64  71.178  -1.240  -6.499
  461    HA   ASN  64           HA       ASN  64  70.784   0.556  -8.855
  462   1HB   ASN  64          2HB       ASN  64  70.716   1.061  -5.862
  463   2HB   ASN  64          1HB       ASN  64  70.217   2.200  -7.118
  464   1HD2  ASN  64          1HD2      ASN  64  69.453  -1.071  -5.825
  465   2HD2  ASN  64          2HD2      ASN  64  67.810  -1.034  -6.284
  466    H    ALA  65           H        ALA  65  72.047   2.775  -8.333
  467    HA   ALA  65           HA       ALA  65  74.917   2.011  -8.016
  468   1HB   ALA  65          1HB       ALA  65  75.330   3.640  -9.609
  469   2HB   ALA  65          2HB       ALA  65  74.006   4.662  -9.051
  470   3HB   ALA  65          3HB       ALA  65  73.667   3.246 -10.046
  471    H    VAL  66           H        VAL  66  73.166   2.435  -5.705
  472    HA   VAL  66           HA       VAL  66  73.836   5.103  -4.633
  473    HB   VAL  66           HB       VAL  66  72.505   4.273  -2.717
  474   1HG1  VAL  66          1HG1      VAL  66  70.413   3.642  -4.043
  475   2HG1  VAL  66          2HG1      VAL  66  71.422   3.708  -5.488
  476   3HG1  VAL  66          3HG1      VAL  66  71.189   5.157  -4.508
  477   1HG2  VAL  66          1HG2      VAL  66  73.177   1.699  -3.994
  478   2HG2  VAL  66          2HG2      VAL  66  71.496   1.833  -3.478
  479   3HG2  VAL  66          3HG2      VAL  66  72.798   2.054  -2.308
  480    H    SER  67           H        SER  67  76.067   5.213  -4.174
  481    HA   SER  67           HA       SER  67  77.857   3.239  -3.419
  482   1HB   SER  67          2HB       SER  67  78.359   5.645  -3.763
  483   2HB   SER  67          1HB       SER  67  77.557   6.025  -2.242
  484    HG   SER  67           HG       SER  67  80.068   5.183  -2.678
  485    H    ASP  68           H        ASP  68  78.570   2.460  -1.281
  486    HA   ASP  68           HA       ASP  68  76.670   1.361   0.388
  487   1HB   ASP  68          2HB       ASP  68  79.482   2.320   0.705
  488   2HB   ASP  68          1HB       ASP  68  78.627   1.828   2.167
  489    H    ASP  69           H        ASP  69  78.161   4.584   0.862
  490    HA   ASP  69           HA       ASP  69  76.765   5.303   3.228
  491   1HB   ASP  69          2HB       ASP  69  78.727   6.448   2.185
  492   2HB   ASP  69          1HB       ASP  69  77.663   7.048   0.913
  493    H    GLU  70           H        GLU  70  75.856   5.738  -0.199
  494    HA   GLU  70           HA       GLU  70  73.457   7.232   0.291
  495   1HB   GLU  70          2HB       GLU  70  74.598   5.557  -1.931
  496   2HB   GLU  70          1HB       GLU  70  72.963   6.205  -2.074
  497   1HG   GLU  70          2HG       GLU  70  73.709   8.440  -1.981
  498   2HG   GLU  70          1HG       GLU  70  75.272   7.984  -1.302
  499    H    ALA  71           H        ALA  71  74.059   3.736  -0.004
  500    HA   ALA  71           HA       ALA  71  71.269   2.972   0.104
  501   1HB   ALA  71          1HB       ALA  71  73.537   1.749  -0.597
  502   2HB   ALA  71          2HB       ALA  71  72.164   0.823   0.013
  503   3HB   ALA  71          3HB       ALA  71  73.503   1.226   1.088
  504    H    GLN  72           H        GLN  72  73.613   3.968   2.453
  505    HA   GLN  72           HA       GLN  72  72.428   2.705   4.779
  506   1HB   GLN  72          2HB       GLN  72  74.790   3.852   4.222
  507   2HB   GLN  72          1HB       GLN  72  73.979   5.257   4.918
  508   1HG   GLN  72          2HG       GLN  72  73.286   3.324   6.712
  509   2HG   GLN  72          1HG       GLN  72  74.887   2.767   6.223
  510   1HE2  GLN  72          1HE2      GLN  72  76.377   5.027   5.892
  511   2HE2  GLN  72          2HE2      GLN  72  76.396   5.974   7.311
  512    H    THR  73           H        THR  73  72.351   5.993   3.414
  513    HA   THR  73           HA       THR  73  70.398   7.011   5.289
  514    HB   THR  73           HB       THR  73  70.614   8.113   2.524
  515    HG1  THR  73           HG1      THR  73  72.781   8.555   4.213
  516   1HG2  THR  73          1HG2      THR  73  70.518   9.085   5.351
  517   2HG2  THR  73          2HG2      THR  73  69.577   9.607   3.954
  518   3HG2  THR  73          3HG2      THR  73  71.252  10.128   4.133
  519    H    LEU  74           H        LEU  74  70.282   5.234   2.278
  520    HA   LEU  74           HA       LEU  74  67.488   5.673   1.656
  521   1HB   LEU  74          2HB       LEU  74  69.597   3.615   0.951
  522   2HB   LEU  74          1HB       LEU  74  67.955   3.502   0.319
  523    HG   LEU  74           HG       LEU  74  69.681   5.974   0.034
  524   1HD1  LEU  74          1HD1      LEU  74  70.796   4.878  -1.591
  525   2HD1  LEU  74          2HD1      LEU  74  69.273   4.730  -2.468
  526   3HD1  LEU  74          3HD1      LEU  74  69.789   3.447  -1.373
  527   1HD2  LEU  74          1HD2      LEU  74  67.817   6.908  -0.825
  528   2HD2  LEU  74          2HD2      LEU  74  66.920   5.475  -0.324
  529   3HD2  LEU  74          3HD2      LEU  74  67.614   5.560  -1.943
  530    H    ALA  75           H        ALA  75  69.289   3.308   3.583
  531    HA   ALA  75           HA       ALA  75  67.091   1.525   4.123
  532   1HB   ALA  75          1HB       ALA  75  69.810   1.611   4.532
  533   2HB   ALA  75          2HB       ALA  75  68.735   0.419   5.264
  534   3HB   ALA  75          3HB       ALA  75  69.198   1.860   6.168
  535    H    LYS  76           H        LYS  76  68.599   4.103   6.121
  536    HA   LYS  76           HA       LYS  76  66.667   4.023   8.232
  537   1HB   LYS  76          2HB       LYS  76  68.633   6.026   7.128
  538   2HB   LYS  76          1HB       LYS  76  67.567   6.477   8.458
  539   1HG   LYS  76          2HG       LYS  76  68.469   4.831   9.898
  540   2HG   LYS  76          1HG       LYS  76  69.213   3.950   8.563
  541   1HD   LYS  76          2HD       LYS  76  71.102   5.144   8.805
  542   2HD   LYS  76          1HD       LYS  76  70.204   6.638   8.536
  543   1HE   LYS  76          2HE       LYS  76  70.060   7.110  10.781
  544   2HE   LYS  76          1HE       LYS  76  69.909   5.399  11.230
  545   1HZ   LYS  76          1HZ       LYS  76  72.385   6.695  10.218
  546   2HZ   LYS  76          2HZ       LYS  76  72.226   5.065  10.673
  547   3HZ   LYS  76          3HZ       LYS  76  72.089   6.294  11.839
  548    H    TRP  77           H        TRP  77  66.633   5.404   5.035
  549    HA   TRP  77           HA       TRP  77  64.489   7.312   5.442
  550   1HB   TRP  77          2HB       TRP  77  66.040   7.525   3.598
  551   2HB   TRP  77          1HB       TRP  77  65.680   5.886   3.043
  552    HD1  TRP  77           HD1      TRP  77  63.719   9.169   3.677
  553    HE1  TRP  77           HE1      TRP  77  61.931   9.394   1.833
  554    HE3  TRP  77           HE3      TRP  77  64.537   4.827   1.117
  555    HZ2  TRP  77           HZ2      TRP  77  60.978   7.932  -0.428
  556    HZ3  TRP  77           HZ3      TRP  77  63.175   4.271  -0.879
  557    HH2  TRP  77           HH2      TRP  77  61.399   5.819  -1.651
  558    H    ILE  78           H        ILE  78  64.677   3.903   4.487
  559    HA   ILE  78           HA       ILE  78  61.860   3.656   3.803
  560    HB   ILE  78           HB       ILE  78  64.114   1.727   4.431
  561   1HG1  ILE  78          2HG1      ILE  78  62.819   1.834   1.772
  562   2HG1  ILE  78          1HG1      ILE  78  63.704   3.288   2.225
  563   1HG2  ILE  78          1HG2      ILE  78  62.260   0.405   4.942
  564   2HG2  ILE  78          2HG2      ILE  78  62.439   0.110   3.213
  565   3HG2  ILE  78          3HG2      ILE  78  61.219   1.244   3.793
  566   1HD1  ILE  78          1HD1      ILE  78  65.566   2.200   1.550
  567   2HD1  ILE  78          2HD1      ILE  78  64.720   0.654   1.479
  568   3HD1  ILE  78          3HD1      ILE  78  65.394   1.221   3.007
  569    H    LEU  79           H        LEU  79  63.833   2.972   6.687
  570    HA   LEU  79           HA       LEU  79  61.660   1.784   8.206
  571   1HB   LEU  79          2HB       LEU  79  64.388   2.929   8.854
  572   2HB   LEU  79          1HB       LEU  79  63.357   2.187  10.077
  573    HG   LEU  79           HG       LEU  79  63.705   0.603   7.603
  574   1HD1  LEU  79          1HD1      LEU  79  65.964   0.043   9.268
  575   2HD1  LEU  79          2HD1      LEU  79  65.993   1.759   8.863
  576   3HD1  LEU  79          3HD1      LEU  79  65.954   0.550   7.579
  577   1HD2  LEU  79          1HD2      LEU  79  64.392  -0.814   9.950
  578   2HD2  LEU  79          2HD2      LEU  79  62.859  -0.876   9.081
  579   3HD2  LEU  79          3HD2      LEU  79  63.075   0.266  10.407
  580    H    SER  80           H        SER  80  62.446   5.007   7.365
  581    HA   SER  80           HA       SER  80  61.234   6.201   9.789
  582   1HB   SER  80          2HB       SER  80  62.097   8.229   8.896
  583   2HB   SER  80          1HB       SER  80  63.294   7.012   8.462
  584    HG   SER  80           HG       SER  80  61.215   8.069   6.840
  585    H    GLN  81           H        GLN  81  60.366   5.388   6.490
  586    HA   GLN  81           HA       GLN  81  58.219   7.167   6.014
  587   1HB   GLN  81          2HB       GLN  81  58.687   4.257   5.306
  588   2HB   GLN  81          1HB       GLN  81  57.393   5.226   4.598
  589   1HG   GLN  81          2HG       GLN  81  60.371   5.738   4.409
  590   2HG   GLN  81          1HG       GLN  81  59.278   5.319   3.090
  591   1HE2  GLN  81          1HE2      GLN  81  60.968   7.842   3.645
  592   2HE2  GLN  81          2HE2      GLN  81  59.849   9.122   3.496
  593    H    LYS  82           H        LYS  82  56.314   7.443   7.092
  594    HA   LYS  82           HA       LYS  82  54.667   5.292   8.053
  595   1HB   LYS  82          2HB       LYS  82  56.452   5.019   9.674
  596   2HB   LYS  82          1HB       LYS  82  56.447   6.745  10.035
  597   1HG   LYS  82          2HG       LYS  82  54.995   6.268  11.698
  598   2HG   LYS  82          1HG       LYS  82  53.799   5.980  10.434
  599   1HD   LYS  82          2HD       LYS  82  53.730   3.952  11.573
  600   2HD   LYS  82          1HD       LYS  82  54.932   3.597  10.332
  601   1HE   LYS  82          2HE       LYS  82  55.923   2.851  12.376
  602   2HE   LYS  82          1HE       LYS  82  56.681   4.425  12.060
  603   1HZ   LYS  82          1HZ       LYS  82  55.453   3.869  14.345
  604   2HZ   LYS  82          2HZ       LYS  82  54.127   4.460  13.461
  605   3HZ   LYS  82          3HZ       LYS  82  55.502   5.433  13.689
  606    HHA  HEM  83           HHA      HEM  83  62.859  -4.963  -1.023
  607    HHB  HEM  83           HHB      HEM  83  65.638   0.713  -0.249
  608    HHC  HEM  83           HHC      HEM  83  64.854   1.829  -6.411
  609    HHD  HEM  83           HHD      HEM  83  61.477  -3.496  -6.939
  610   1HMA  HEM  83          1HMA      HEM  83  66.758  -2.160   1.634
  611   2HMA  HEM  83          2HMA      HEM  83  65.258  -1.633   2.400
  612   3HMA  HEM  83          3HMA      HEM  83  66.185  -0.506   1.408
  613   1HAA  HEM  83          1HAA      HEM  83  63.897  -4.846   1.251
  614   2HAA  HEM  83          2HAA      HEM  83  65.550  -4.337   1.583
  615   1HBA  HEM  83          1HBA      HEM  83  65.724  -5.103  -1.056
  616   2HBA  HEM  83          2HBA      HEM  83  64.536  -6.245  -0.428
  617    H2A  HEM  83          3HBB      HEM  83  67.929   2.204  -5.207
  618   1HMB  HEM  83          1HMB      HEM  83  67.300   2.342  -1.027
  619   2HMB  HEM  83          2HMB      HEM  83  65.898   3.411  -0.979
  620   3HMB  HEM  83          3HMB      HEM  83  67.173   3.681  -2.168
  621    HAB  HEM  83           HAB      HEM  83  65.586   3.377  -5.726
  622   1HBB  HEM  83          1HBB      HEM  83  68.259   3.791  -4.512
  623   2HBB  HEM  83          2HBB      HEM  83  67.795   3.650  -6.209
  624   1HMC  HEM  83          1HMC      HEM  83  64.513   1.601  -8.431
  625   2HMC  HEM  83          2HMC      HEM  83  62.854   1.444  -9.008
  626   3HMC  HEM  83          3HMC      HEM  83  64.113   0.388  -9.646
  627    HAC  HEM  83           HAC      HEM  83  61.385  -2.646  -8.586
  628   1HBC  HEM  83          1HBC      HEM  83  62.787  -2.905 -10.339
  629   2HBC  HEM  83          2HBC      HEM  83  63.463  -1.287 -10.168
  630   1HMD  HEM  83          1HMD      HEM  83  60.863  -5.492  -6.653
  631   2HMD  HEM  83          2HMD      HEM  83  59.472  -5.262  -5.593
  632   3HMD  HEM  83          3HMD      HEM  83  60.512  -6.672  -5.391
  633   1HAD  HEM  83          1HAD      HEM  83  60.209  -6.693  -3.004
  634   2HAD  HEM  83          2HAD      HEM  83  61.143  -6.190  -1.600
  635   1HBD  HEM  83          1HBD      HEM  83  62.562  -7.901  -1.912
  636   2HBD  HEM  83          2HBD      HEM  83  62.947  -7.309  -3.528
  637    H2D  HEM  83          3HBC      HEM  83  61.928  -1.516 -11.003
  Start of MODEL    5
    1   1H    GLU   1          1H        GLU   1  68.580  19.808   0.524
    2   2H    GLU   1          2H        GLU   1  69.348  18.977   1.792
    3   3H    GLU   1          3H        GLU   1  67.653  19.103   1.757
    4    HA   GLU   1           HA       GLU   1  67.765  17.851  -0.448
    5   1HB   GLU   1          2HB       GLU   1  70.080  18.168  -0.911
    6   2HB   GLU   1          1HB       GLU   1  70.553  17.641   0.705
    7   1HG   GLU   1          2HG       GLU   1  70.372  15.419   0.181
    8   2HG   GLU   1          1HG       GLU   1  69.002  15.682  -0.899
    9    H    ASP   2           H        ASP   2  66.054  16.936   0.902
   10    HA   ASP   2           HA       ASP   2  66.735  15.200   3.160
   11   1HB   ASP   2          2HB       ASP   2  64.474  16.540   2.064
   12   2HB   ASP   2          1HB       ASP   2  64.081  14.822   2.113
   13    HA   PRO   3           HA       PRO   3  67.273  11.360   1.101
   14   1HB   PRO   3          2HB       PRO   3  65.315   9.918   2.643
   15   2HB   PRO   3          1HB       PRO   3  67.067   9.945   2.864
   16   1HG   PRO   3          2HG       PRO   3  65.063  11.168   4.520
   17   2HG   PRO   3          1HG       PRO   3  66.815  11.184   4.742
   18   1HD   PRO   3          2HD       PRO   3  65.120  13.372   3.938
   19   2HD   PRO   3          1HD       PRO   3  66.890  13.379   4.132
   20    H    GLU   4           H        GLU   4  64.091  12.741   1.376
   21    HA   GLU   4           HA       GLU   4  62.695  10.871  -0.335
   22   1HB   GLU   4          2HB       GLU   4  60.950  12.495  -0.196
   23   2HB   GLU   4          1HB       GLU   4  61.811  12.624   1.338
   24   1HG   GLU   4          2HG       GLU   4  63.061  14.553   0.529
   25   2HG   GLU   4          1HG       GLU   4  62.337  14.388  -1.072
   26    H    VAL   5           H        VAL   5  64.464  13.906  -0.877
   27    HA   VAL   5           HA       VAL   5  63.862  14.219  -3.659
   28    HB   VAL   5           HB       VAL   5  66.293  15.017  -2.025
   29   1HG1  VAL   5          1HG1      VAL   5  65.619  16.910  -4.039
   30   2HG1  VAL   5          2HG1      VAL   5  65.662  15.325  -4.809
   31   3HG1  VAL   5          3HG1      VAL   5  67.073  15.917  -3.933
   32   1HG2  VAL   5          1HG2      VAL   5  63.540  15.824  -1.905
   33   2HG2  VAL   5          2HG2      VAL   5  64.498  17.173  -2.516
   34   3HG2  VAL   5          3HG2      VAL   5  64.902  16.436  -0.965
   35    H    LEU   6           H        LEU   6  66.789  12.899  -2.083
   36    HA   LEU   6           HA       LEU   6  67.939  11.924  -4.540
   37   1HB   LEU   6          2HB       LEU   6  69.445  10.722  -2.945
   38   2HB   LEU   6          1HB       LEU   6  69.246  12.423  -2.537
   39    HG   LEU   6           HG       LEU   6  67.230  11.439  -1.079
   40   1HD1  LEU   6          1HD1      LEU   6  68.009   9.104  -2.020
   41   2HD1  LEU   6          2HD1      LEU   6  67.542   9.254  -0.326
   42   3HD1  LEU   6          3HD1      LEU   6  69.248   9.237  -0.771
   43   1HD2  LEU   6          1HD2      LEU   6  70.124  11.897  -0.595
   44   2HD2  LEU   6          2HD2      LEU   6  69.262  11.024   0.673
   45   3HD2  LEU   6          3HD2      LEU   6  68.724  12.631   0.188
   46    H    ALA   7           H        ALA   7  65.545  10.668  -2.357
   47    HA   ALA   7           HA       ALA   7  65.775   7.865  -3.010
   48   1HB   ALA   7          1HB       ALA   7  64.482   8.188  -1.135
   49   2HB   ALA   7          2HB       ALA   7  63.172   8.235  -2.313
   50   3HB   ALA   7          3HB       ALA   7  63.868   9.738  -1.707
   51    H    LYS   8           H        LYS   8  64.085  10.612  -4.463
   52    HA   LYS   8           HA       LYS   8  62.577   8.978  -6.368
   53   1HB   LYS   8          2HB       LYS   8  62.435  11.519  -5.290
   54   2HB   LYS   8          1HB       LYS   8  63.011  11.839  -6.927
   55   1HG   LYS   8          2HG       LYS   8  61.048   9.948  -7.354
   56   2HG   LYS   8          1HG       LYS   8  60.378  10.897  -6.026
   57   1HD   LYS   8          2HD       LYS   8  61.470  12.801  -7.758
   58   2HD   LYS   8          1HD       LYS   8  60.703  11.625  -8.826
   59   1HE   LYS   8          2HE       LYS   8  58.925  13.094  -8.326
   60   2HE   LYS   8          1HE       LYS   8  58.695  11.810  -7.122
   61   1HZ   LYS   8          1HZ       LYS   8  59.689  14.524  -6.769
   62   2HZ   LYS   8          2HZ       LYS   8  60.494  13.317  -5.885
   63   3HZ   LYS   8          3HZ       LYS   8  58.822  13.542  -5.693
   64    H    ASN   9           H        ASN   9  65.542  10.945  -6.426
   65    HA   ASN   9           HA       ASN   9  66.014  10.835  -9.251
   66   1HB   ASN   9          2HB       ASN   9  68.107  10.940  -7.070
   67   2HB   ASN   9          1HB       ASN   9  68.151  11.716  -8.655
   68   1HD2  ASN   9          1HD2      ASN   9  65.144  12.401  -8.217
   69   2HD2  ASN   9          2HD2      ASN   9  65.196  13.769  -7.200
   70    H    LYS  10           H        LYS  10  66.766   8.559  -6.638
   71    HA   LYS  10           HA       LYS  10  68.508   6.924  -8.349
   72   1HB   LYS  10          2HB       LYS  10  67.252   6.283  -5.669
   73   2HB   LYS  10          1HB       LYS  10  68.727   5.597  -6.352
   74   1HG   LYS  10          2HG       LYS  10  68.666   8.557  -6.069
   75   2HG   LYS  10          1HG       LYS  10  68.750   7.626  -4.573
   76   1HD   LYS  10          2HD       LYS  10  70.552   6.361  -6.302
   77   2HD   LYS  10          1HD       LYS  10  70.815   8.087  -6.557
   78   1HE   LYS  10          2HE       LYS  10  70.575   7.025  -3.747
   79   2HE   LYS  10          1HE       LYS  10  72.120   6.908  -4.611
   80   1HZ   LYS  10          1HZ       LYS  10  70.522   9.402  -4.447
   81   2HZ   LYS  10          2HZ       LYS  10  72.108   9.228  -5.031
   82   3HZ   LYS  10          3HZ       LYS  10  71.784   9.040  -3.374
   83    H    GLY  11           H        GLY  11  65.136   7.185  -7.655
   84   1HA   GLY  11          2HA       GLY  11  63.479   6.053  -9.009
   85   2HA   GLY  11          1HA       GLY  11  64.640   4.757  -9.292
   86    H    CYS  12           H        CYS  12  64.596   5.772  -6.034
   87    HA   CYS  12           HA       CYS  12  63.634   3.215  -5.111
   88   1HB   CYS  12          2HB       CYS  12  63.745   5.815  -3.569
   89   2HB   CYS  12          1HB       CYS  12  63.948   4.183  -2.937
   90    H    MET  13           H        MET  13  62.089   6.387  -5.503
   91    HA   MET  13           HA       MET  13  59.599   5.511  -4.223
   92   1HB   MET  13          2HB       MET  13  60.536   7.970  -5.723
   93   2HB   MET  13          1HB       MET  13  58.909   7.824  -5.052
   94   1HG   MET  13          2HG       MET  13  60.960   7.072  -3.117
   95   2HG   MET  13          1HG       MET  13  61.163   8.728  -3.688
   96   1HE   MET  13          1HE       MET  13  58.447   6.156  -2.207
   97   2HE   MET  13          2HE       MET  13  58.015   6.722  -3.818
   98   3HE   MET  13          3HE       MET  13  57.036   7.198  -2.432
   99    H    ALA  14           H        ALA  14  60.907   4.794  -7.187
  100    HA   ALA  14           HA       ALA  14  58.463   5.152  -8.790
  101   1HB   ALA  14          1HB       ALA  14  60.726   3.494  -9.749
  102   2HB   ALA  14          2HB       ALA  14  61.132   5.156  -9.318
  103   3HB   ALA  14          3HB       ALA  14  59.905   4.838 -10.544
  104    H    CYS  15           H        CYS  15  60.308   2.511  -7.309
  105    HA   CYS  15           HA       CYS  15  58.244   0.540  -8.177
  106   1HB   CYS  15          2HB       CYS  15  61.058   0.464  -7.100
  107   2HB   CYS  15          1HB       CYS  15  60.057  -0.988  -7.081
  108    H    HIS  16           H        HIS  16  59.534   2.156  -5.332
  109    HA   HIS  16           HA       HIS  16  57.906   0.390  -3.557
  110   1HB   HIS  16          2HB       HIS  16  60.317   2.149  -3.294
  111   2HB   HIS  16          1HB       HIS  16  59.353   1.797  -1.859
  112    HD1  HIS  16           HD1      HIS  16  58.718  -0.992  -1.813
  113    HD2  HIS  16           HD2      HIS  16  62.289   0.259  -3.569
  114    HE1  HIS  16           HE1      HIS  16  60.255  -3.002  -1.818
  115    H    ALA  17           H        ALA  17  56.858   1.482  -1.711
  116    HA   ALA  17           HA       ALA  17  55.919   4.266  -2.271
  117   1HB   ALA  17          1HB       ALA  17  54.473   1.726  -2.309
  118   2HB   ALA  17          2HB       ALA  17  53.928   3.319  -2.835
  119   3HB   ALA  17          3HB       ALA  17  53.777   2.849  -1.141
  120    H    ILE  18           H        ILE  18  54.488   4.807  -0.079
  121    HA   ILE  18           HA       ILE  18  56.422   4.394   2.134
  122    HB   ILE  18           HB       ILE  18  53.876   6.049   1.952
  123   1HG1  ILE  18          2HG1      ILE  18  55.464   6.703   0.198
  124   2HG1  ILE  18          1HG1      ILE  18  55.434   7.933   1.462
  125   1HG2  ILE  18          1HG2      ILE  18  54.631   7.161   3.894
  126   2HG2  ILE  18          2HG2      ILE  18  56.271   6.534   3.722
  127   3HG2  ILE  18          3HG2      ILE  18  54.966   5.463   4.231
  128   1HD1  ILE  18          1HD1      ILE  18  57.435   6.843   2.500
  129   2HD1  ILE  18          2HD1      ILE  18  57.751   7.471   0.881
  130   3HD1  ILE  18          3HD1      ILE  18  57.501   5.742   1.124
  131    H    ASP  19           H        ASP  19  53.195   3.366   1.167
  132    HA   ASP  19           HA       ASP  19  53.156   1.407   3.359
  133   1HB   ASP  19          2HB       ASP  19  51.160   2.340   4.414
  134   2HB   ASP  19          1HB       ASP  19  52.417   3.576   4.362
  135    H    THR  20           H        THR  20  52.751   1.799   0.257
  136    HA   THR  20           HA       THR  20  50.151   0.310   0.095
  137    HB   THR  20           HB       THR  20  50.645   1.182  -2.432
  138    HG1  THR  20           HG1      THR  20  51.338   3.465  -1.884
  139   1HG2  THR  20          1HG2      THR  20  49.506   3.372  -0.960
  140   2HG2  THR  20          2HG2      THR  20  48.943   1.852  -0.269
  141   3HG2  THR  20          3HG2      THR  20  48.689   2.189  -1.981
  142    H    LYS  21           H        LYS  21  50.431  -0.780  -2.434
  143    HA   LYS  21           HA       LYS  21  52.906  -2.440  -2.244
  144   1HB   LYS  21          2HB       LYS  21  50.702  -3.421  -1.346
  145   2HB   LYS  21          1HB       LYS  21  50.176  -3.463  -3.030
  146   1HG   LYS  21          2HG       LYS  21  52.838  -4.556  -2.816
  147   2HG   LYS  21          1HG       LYS  21  51.760  -5.381  -1.688
  148   1HD   LYS  21          2HD       LYS  21  50.110  -5.592  -3.625
  149   2HD   LYS  21          1HD       LYS  21  51.425  -5.072  -4.679
  150   1HE   LYS  21          2HE       LYS  21  51.760  -7.370  -4.777
  151   2HE   LYS  21          1HE       LYS  21  52.723  -7.016  -3.327
  152   1HZ   LYS  21          1HZ       LYS  21  50.504  -7.220  -2.104
  153   2HZ   LYS  21          2HZ       LYS  21  51.251  -8.656  -2.619
  154   3HZ   LYS  21          3HZ       LYS  21  49.946  -8.013  -3.495
  155    H    MET  22           H        MET  22  53.799  -1.146  -4.016
  156    HA   MET  22           HA       MET  22  52.354  -1.296  -6.616
  157   1HB   MET  22          2HB       MET  22  54.619   0.288  -5.427
  158   2HB   MET  22          1HB       MET  22  54.467   0.185  -7.184
  159   1HG   MET  22          2HG       MET  22  52.081   0.942  -6.952
  160   2HG   MET  22          1HG       MET  22  52.382   1.207  -5.236
  161   1HE   MET  22          1HE       MET  22  55.725   2.117  -5.851
  162   2HE   MET  22          2HE       MET  22  54.599   2.261  -4.505
  163   3HE   MET  22          3HE       MET  22  55.294   3.712  -5.221
  164    H    VAL  23           H        VAL  23  55.824  -1.148  -6.615
  165    HA   VAL  23           HA       VAL  23  55.948  -3.724  -8.045
  166    HB   VAL  23           HB       VAL  23  57.996  -1.581  -7.388
  167   1HG1  VAL  23          1HG1      VAL  23  58.468  -3.351  -9.685
  168   2HG1  VAL  23          2HG1      VAL  23  58.491  -4.194  -8.137
  169   3HG1  VAL  23          3HG1      VAL  23  59.579  -2.836  -8.416
  170   1HG2  VAL  23          1HG2      VAL  23  55.918  -1.870  -9.432
  171   2HG2  VAL  23          2HG2      VAL  23  57.520  -1.625 -10.128
  172   3HG2  VAL  23          3HG2      VAL  23  56.864  -0.448  -8.991
  173    H    GLY  24           H        GLY  24  57.360  -2.184  -5.172
  174   1HA   GLY  24          2HA       GLY  24  58.082  -4.905  -4.158
  175   2HA   GLY  24          1HA       GLY  24  58.981  -3.440  -3.739
  176    HA   PRO  25           HA       PRO  25  55.483  -4.392  -0.668
  177   1HB   PRO  25          2HB       PRO  25  57.492  -4.565   1.387
  178   2HB   PRO  25          1HB       PRO  25  56.422  -5.843   0.802
  179   1HG   PRO  25          2HG       PRO  25  59.239  -5.612   0.388
  180   2HG   PRO  25          1HG       PRO  25  58.151  -6.842  -0.263
  181   1HD   PRO  25          2HD       PRO  25  59.431  -4.644  -1.668
  182   2HD   PRO  25          1HD       PRO  25  58.427  -5.948  -2.343
  183    H    ALA  26           H        ALA  26  54.668  -2.676   0.582
  184    HA   ALA  26           HA       ALA  26  55.419  -0.046   0.279
  185   1HB   ALA  26          1HB       ALA  26  53.421  -0.402   1.418
  186   2HB   ALA  26          2HB       ALA  26  54.461   0.075   2.760
  187   3HB   ALA  26          3HB       ALA  26  54.124  -1.632   2.469
  188    H    TYR  27           H        TYR  27  56.561   1.462   1.806
  189    HA   TYR  27           HA       TYR  27  59.158   0.356   2.599
  190   1HB   TYR  27          2HB       TYR  27  57.817   3.011   2.317
  191   2HB   TYR  27          1HB       TYR  27  59.213   2.933   3.385
  192    HD1  TYR  27           HD1      TYR  27  60.771   0.753   1.921
  193    HD2  TYR  27           HD2      TYR  27  58.715   4.253   0.504
  194    HE1  TYR  27           HE1      TYR  27  62.269   0.840  -0.047
  195    HE2  TYR  27           HE2      TYR  27  60.219   4.337  -1.463
  196    HH   TYR  27           HH       TYR  27  63.073   2.776  -1.662
  197    H    LYS  28           H        LYS  28  56.532   2.107   4.309
  198    HA   LYS  28           HA       LYS  28  57.495   1.896   6.938
  199   1HB   LYS  28          2HB       LYS  28  55.372   2.991   5.845
  200   2HB   LYS  28          1HB       LYS  28  54.602   1.451   6.229
  201   1HG   LYS  28          2HG       LYS  28  56.152   2.411   8.481
  202   2HG   LYS  28          1HG       LYS  28  54.973   3.621   7.970
  203   1HD   LYS  28          2HD       LYS  28  53.916   0.874   8.007
  204   2HD   LYS  28          1HD       LYS  28  54.404   1.473   9.594
  205   1HE   LYS  28          2HE       LYS  28  53.088   3.662   8.651
  206   2HE   LYS  28          1HE       LYS  28  52.174   2.365   7.855
  207   1HZ   LYS  28          1HZ       LYS  28  51.649   1.375   9.852
  208   2HZ   LYS  28          2HZ       LYS  28  51.581   3.018  10.278
  209   3HZ   LYS  28          3HZ       LYS  28  52.945   2.089  10.683
  210    H    ASP  29           H        ASP  29  55.616  -0.445   5.039
  211    HA   ASP  29           HA       ASP  29  55.219  -2.424   7.032
  212   1HB   ASP  29          2HB       ASP  29  55.393  -2.291   4.047
  213   2HB   ASP  29          1HB       ASP  29  55.384  -3.886   4.797
  214    H    VAL  30           H        VAL  30  57.981  -1.823   4.870
  215    HA   VAL  30           HA       VAL  30  59.504  -4.153   5.431
  216    HB   VAL  30           HB       VAL  30  60.347  -1.289   4.871
  217   1HG1  VAL  30          1HG1      VAL  30  62.014  -3.222   5.730
  218   2HG1  VAL  30          2HG1      VAL  30  62.496  -2.026   4.527
  219   3HG1  VAL  30          3HG1      VAL  30  61.977  -3.631   4.016
  220   1HG2  VAL  30          1HG2      VAL  30  59.797  -1.659   2.702
  221   2HG2  VAL  30          2HG2      VAL  30  58.843  -3.014   3.304
  222   3HG2  VAL  30          3HG2      VAL  30  60.486  -3.283   2.721
  223    H    ALA  31           H        ALA  31  59.487  -0.978   7.046
  224    HA   ALA  31           HA       ALA  31  61.425  -1.734   9.073
  225   1HB   ALA  31          1HB       ALA  31  60.770   0.582   8.184
  226   2HB   ALA  31          2HB       ALA  31  60.936   0.445   9.934
  227   3HB   ALA  31          3HB       ALA  31  59.334   0.452   9.199
  228    H    ALA  32           H        ALA  32  57.995  -2.199   8.710
  229    HA   ALA  32           HA       ALA  32  57.365  -2.436  11.533
  230   1HB   ALA  32          1HB       ALA  32  55.721  -1.884   9.785
  231   2HB   ALA  32          2HB       ALA  32  55.249  -3.366  10.617
  232   3HB   ALA  32          3HB       ALA  32  55.996  -3.450   9.020
  233    H    LYS  33           H        LYS  33  58.424  -4.675   9.015
  234    HA   LYS  33           HA       LYS  33  58.019  -7.034  10.726
  235   1HB   LYS  33          2HB       LYS  33  57.625  -7.278   8.373
  236   2HB   LYS  33          1HB       LYS  33  59.164  -6.510   7.973
  237   1HG   LYS  33          2HG       LYS  33  60.286  -8.457   8.172
  238   2HG   LYS  33          1HG       LYS  33  59.532  -8.806   9.728
  239   1HD   LYS  33          2HD       LYS  33  57.457  -9.152   7.910
  240   2HD   LYS  33          1HD       LYS  33  58.857  -9.827   7.075
  241   1HE   LYS  33          2HE       LYS  33  59.243 -10.860   9.564
  242   2HE   LYS  33          1HE       LYS  33  57.470 -10.804   9.503
  243   1HZ   LYS  33          1HZ       LYS  33  58.703 -12.809   8.446
  244   2HZ   LYS  33          2HZ       LYS  33  58.988 -11.736   7.160
  245   3HZ   LYS  33          3HZ       LYS  33  57.397 -12.107   7.623
  246    H    TYR  34           H        TYR  34  60.752  -5.161   9.398
  247    HA   TYR  34           HA       TYR  34  62.764  -6.784  10.769
  248   1HB   TYR  34          2HB       TYR  34  62.641  -4.292   9.092
  249   2HB   TYR  34          1HB       TYR  34  64.126  -4.658   9.977
  250    HD1  TYR  34           HD1      TYR  34  61.718  -5.994   7.469
  251    HD2  TYR  34           HD2      TYR  34  65.602  -6.387   9.260
  252    HE1  TYR  34           HE1      TYR  34  62.360  -7.633   5.721
  253    HE2  TYR  34           HE2      TYR  34  66.243  -8.027   7.514
  254    HH   TYR  34           HH       TYR  34  64.497  -9.726   5.857
  255    H    ALA  35           H        ALA  35  60.588  -4.423  11.787
  256    HA   ALA  35           HA       ALA  35  62.134  -2.801  13.558
  257   1HB   ALA  35          1HB       ALA  35  60.011  -1.981  13.351
  258   2HB   ALA  35          2HB       ALA  35  59.662  -3.034  14.722
  259   3HB   ALA  35          3HB       ALA  35  59.323  -3.582  13.081
  260    H    GLY  36           H        GLY  36  63.641  -4.240  14.640
  261   1HA   GLY  36          2HA       GLY  36  63.192  -5.026  17.204
  262   2HA   GLY  36          1HA       GLY  36  62.578  -6.416  16.306
  263    H    GLN  37           H        GLN  37  64.669  -5.744  14.161
  264    HA   GLN  37           HA       GLN  37  66.712  -7.568  15.104
  265   1HB   GLN  37          2HB       GLN  37  66.476  -5.700  12.724
  266   2HB   GLN  37          1HB       GLN  37  67.741  -6.917  12.897
  267   1HG   GLN  37          2HG       GLN  37  65.353  -8.288  13.428
  268   2HG   GLN  37          1HG       GLN  37  64.983  -7.254  12.046
  269   1HE2  GLN  37          1HE2      GLN  37  66.929  -7.273  10.332
  270   2HE2  GLN  37          2HE2      GLN  37  67.546  -8.823   9.975
  271    H    ALA  38           H        ALA  38  68.906  -7.060  15.628
  272    HA   ALA  38           HA       ALA  38  69.294  -4.376  16.788
  273   1HB   ALA  38          1HB       ALA  38  71.020  -5.436  18.006
  274   2HB   ALA  38          2HB       ALA  38  71.247  -6.674  16.770
  275   3HB   ALA  38          3HB       ALA  38  69.819  -6.713  17.803
  276    H    GLY  39           H        GLY  39  69.224  -4.442  13.899
  277   1HA   GLY  39          2HA       GLY  39  71.154  -2.778  13.026
  278   2HA   GLY  39          1HA       GLY  39  72.040  -4.302  13.027
  279    H    ALA  40           H        ALA  40  68.749  -3.283  12.004
  280    HA   ALA  40           HA       ALA  40  68.961  -5.076   9.666
  281   1HB   ALA  40          1HB       ALA  40  66.577  -4.469   9.413
  282   2HB   ALA  40          2HB       ALA  40  66.754  -3.252  10.677
  283   3HB   ALA  40          3HB       ALA  40  66.925  -4.963  11.069
  284    H    GLU  41           H        GLU  41  69.325  -1.700  10.421
  285    HA   GLU  41           HA       GLU  41  68.765  -0.665   7.764
  286   1HB   GLU  41          2HB       GLU  41  68.644   0.745   9.734
  287   2HB   GLU  41          1HB       GLU  41  70.306   0.349  10.174
  288   1HG   GLU  41          2HG       GLU  41  70.394   1.308   7.512
  289   2HG   GLU  41          1HG       GLU  41  69.362   2.422   8.410
  290    H    ALA  42           H        ALA  42  71.645  -1.849   9.458
  291    HA   ALA  42           HA       ALA  42  73.602  -1.010   7.529
  292   1HB   ALA  42          1HB       ALA  42  73.883  -3.548   9.090
  293   2HB   ALA  42          2HB       ALA  42  73.660  -2.052   9.996
  294   3HB   ALA  42          3HB       ALA  42  75.030  -2.222   8.901
  295    H    TYR  43           H        TYR  43  71.956  -4.168   7.994
  296    HA   TYR  43           HA       TYR  43  73.065  -5.355   5.604
  297   1HB   TYR  43          2HB       TYR  43  72.080  -6.496   7.653
  298   2HB   TYR  43          1HB       TYR  43  70.485  -6.003   7.079
  299    HD1  TYR  43           HD1      TYR  43  70.333  -8.664   7.280
  300    HD2  TYR  43           HD2      TYR  43  72.542  -6.545   4.266
  301    HE1  TYR  43           HE1      TYR  43  70.249 -10.660   5.812
  302    HE2  TYR  43           HE2      TYR  43  72.457  -8.541   2.799
  303    HH   TYR  43           HH       TYR  43  71.920 -11.490   3.739
  304    H    LEU  44           H        LEU  44  70.242  -3.384   6.295
  305    HA   LEU  44           HA       LEU  44  68.834  -3.829   3.822
  306   1HB   LEU  44          2HB       LEU  44  68.933  -1.818   6.043
  307   2HB   LEU  44          1HB       LEU  44  68.094  -1.354   4.560
  308    HG   LEU  44           HG       LEU  44  67.542  -4.000   5.902
  309   1HD1  LEU  44          1HD1      LEU  44  66.465  -2.997   7.601
  310   2HD1  LEU  44          2HD1      LEU  44  65.486  -2.080   6.456
  311   3HD1  LEU  44          3HD1      LEU  44  67.025  -1.429   7.020
  312   1HD2  LEU  44          1HD2      LEU  44  66.488  -2.418   3.657
  313   2HD2  LEU  44          2HD2      LEU  44  65.235  -3.011   4.748
  314   3HD2  LEU  44          3HD2      LEU  44  66.344  -4.146   3.980
  315    H    ALA  45           H        ALA  45  71.542  -1.837   4.813
  316    HA   ALA  45           HA       ALA  45  71.607  -0.140   2.463
  317   1HB   ALA  45          1HB       ALA  45  72.609   0.158   4.839
  318   2HB   ALA  45          2HB       ALA  45  73.594   0.678   3.471
  319   3HB   ALA  45          3HB       ALA  45  73.923  -0.865   4.258
  320    H    GLN  46           H        GLN  46  73.160  -3.206   3.409
  321    HA   GLN  46           HA       GLN  46  74.859  -3.303   1.038
  322   1HB   GLN  46          2HB       GLN  46  74.839  -4.469   3.488
  323   2HB   GLN  46          1HB       GLN  46  74.123  -5.767   2.534
  324   1HG   GLN  46          2HG       GLN  46  76.445  -4.517   1.242
  325   2HG   GLN  46          1HG       GLN  46  76.829  -5.294   2.779
  326   1HE2  GLN  46          1HE2      GLN  46  77.152  -6.071  -0.277
  327   2HE2  GLN  46          2HE2      GLN  46  76.625  -7.693  -0.293
  328    H    ARG  47           H        ARG  47  71.623  -4.376   1.843
  329    HA   ARG  47           HA       ARG  47  71.404  -6.078  -0.559
  330   1HB   ARG  47          2HB       ARG  47  69.502  -5.206   1.642
  331   2HB   ARG  47          1HB       ARG  47  69.057  -6.326   0.354
  332   1HG   ARG  47          2HG       ARG  47  71.390  -6.750   2.241
  333   2HG   ARG  47          1HG       ARG  47  69.797  -7.478   2.455
  334   1HD   ARG  47          2HD       ARG  47  70.524  -7.997  -0.232
  335   2HD   ARG  47          1HD       ARG  47  71.952  -8.370   0.754
  336    HE   ARG  47           HE       ARG  47  69.605  -9.360   2.068
  337   1HH1  ARG  47          1HH1      ARG  47  71.666  -9.897  -0.649
  338   2HH1  ARG  47          2HH1      ARG  47  71.356 -11.600  -0.711
  339   1HH2  ARG  47          1HH2      ARG  47  69.199 -11.576   2.006
  340   2HH2  ARG  47          2HH2      ARG  47  69.961 -12.552   0.796
  341    H    ILE  48           H        ILE  48  70.957  -2.787   0.318
  342    HA   ILE  48           HA       ILE  48  68.944  -2.236  -1.767
  343    HB   ILE  48           HB       ILE  48  70.504  -0.635   0.268
  344   1HG1  ILE  48          2HG1      ILE  48  67.514  -0.805  -0.139
  345   2HG1  ILE  48          1HG1      ILE  48  68.382  -2.027   0.789
  346   1HG2  ILE  48          1HG2      ILE  48  70.340   1.154  -1.106
  347   2HG2  ILE  48          2HG2      ILE  48  68.602   1.076  -0.818
  348   3HG2  ILE  48          3HG2      ILE  48  69.298   0.285  -2.233
  349   1HD1  ILE  48          1HD1      ILE  48  67.777   0.789   1.476
  350   2HD1  ILE  48          2HD1      ILE  48  69.409   0.252   1.876
  351   3HD1  ILE  48          3HD1      ILE  48  68.015  -0.603   2.534
  352    H    LYS  49           H        LYS  49  72.453  -1.941  -1.277
  353    HA   LYS  49           HA       LYS  49  72.802  -0.434  -3.785
  354   1HB   LYS  49          2HB       LYS  49  74.269   0.049  -1.948
  355   2HB   LYS  49          1HB       LYS  49  74.636  -1.659  -1.707
  356   1HG   LYS  49          2HG       LYS  49  75.814  -1.764  -3.828
  357   2HG   LYS  49          1HG       LYS  49  75.333  -0.112  -4.220
  358   1HD   LYS  49          2HD       LYS  49  77.622  -0.090  -3.389
  359   2HD   LYS  49          1HD       LYS  49  76.572   0.678  -2.197
  360   1HE   LYS  49          2HE       LYS  49  76.690  -1.148  -0.724
  361   2HE   LYS  49          1HE       LYS  49  77.161  -2.275  -2.010
  362   1HZ   LYS  49          1HZ       LYS  49  78.860   0.056  -1.456
  363   2HZ   LYS  49          2HZ       LYS  49  79.288  -1.461  -2.087
  364   3HZ   LYS  49          3HZ       LYS  49  78.965  -1.288  -0.429
  365    H    ASN  50           H        ASN  50  72.415  -3.704  -2.914
  366    HA   ASN  50           HA       ASN  50  73.688  -4.587  -5.486
  367   1HB   ASN  50          2HB       ASN  50  73.675  -5.667  -2.689
  368   2HB   ASN  50          1HB       ASN  50  73.798  -6.805  -4.031
  369   1HD2  ASN  50          1HD2      ASN  50  76.027  -7.348  -3.867
  370   2HD2  ASN  50          2HD2      ASN  50  77.281  -6.203  -4.028
  371    H    GLY  51           H        GLY  51  70.831  -4.391  -3.613
  372   1HA   GLY  51          2HA       GLY  51  68.685  -5.320  -3.857
  373   2HA   GLY  51          1HA       GLY  51  69.076  -5.345  -5.575
  374    H    SER  52           H        SER  52  67.514  -7.409  -4.840
  375    HA   SER  52           HA       SER  52  68.898  -9.764  -5.553
  376   1HB   SER  52          2HB       SER  52  69.270  -8.897  -2.754
  377   2HB   SER  52          1HB       SER  52  68.834 -10.593  -2.940
  378    HG   SER  52           HG       SER  52  71.190  -9.557  -3.244
  379    H    GLN  53           H        GLN  53  67.677 -11.808  -4.975
  380    HA   GLN  53           HA       GLN  53  64.772 -11.200  -4.636
  381   1HB   GLN  53          2HB       GLN  53  64.521 -12.689  -6.329
  382   2HB   GLN  53          1HB       GLN  53  66.273 -12.695  -6.481
  383   1HG   GLN  53          2HG       GLN  53  64.667 -14.567  -4.711
  384   2HG   GLN  53          1HG       GLN  53  65.364 -14.986  -6.272
  385   1HE2  GLN  53          1HE2      GLN  53  67.892 -14.205  -6.322
  386   2HE2  GLN  53          2HE2      GLN  53  68.787 -14.723  -4.966
  387    H    GLY  54           H        GLY  54  63.629 -13.307  -3.618
  388   1HA   GLY  54          2HA       GLY  54  63.329 -14.659  -1.718
  389   2HA   GLY  54          1HA       GLY  54  65.089 -14.742  -1.582
  390    H    VAL  55           H        VAL  55  63.712 -11.610  -1.769
  391    HA   VAL  55           HA       VAL  55  64.540 -11.048   1.019
  392    HB   VAL  55           HB       VAL  55  63.380  -9.120  -0.998
  393   1HG1  VAL  55          1HG1      VAL  55  65.772  -8.487   0.612
  394   2HG1  VAL  55          2HG1      VAL  55  64.304  -8.777   1.544
  395   3HG1  VAL  55          3HG1      VAL  55  64.329  -7.520   0.308
  396   1HG2  VAL  55          1HG2      VAL  55  65.825  -8.835  -1.743
  397   2HG2  VAL  55          2HG2      VAL  55  64.986 -10.270  -2.332
  398   3HG2  VAL  55          3HG2      VAL  55  66.121 -10.401  -0.989
  399    H    TRP  56           H        TRP  56  61.747 -10.000  -0.941
  400    HA   TRP  56           HA       TRP  56  59.984 -10.451   1.437
  401   1HB   TRP  56          2HB       TRP  56  60.084  -8.363  -0.755
  402   2HB   TRP  56          1HB       TRP  56  58.689  -8.555   0.303
  403    HD1  TRP  56           HD1      TRP  56  62.324  -7.447   0.287
  404    HE1  TRP  56           HE1      TRP  56  62.843  -6.204   2.482
  405    HE3  TRP  56           HE3      TRP  56  57.990  -8.326   2.852
  406    HZ2  TRP  56           HZ2      TRP  56  61.593  -5.652   4.989
  407    HZ3  TRP  56           HZ3      TRP  56  57.688  -7.427   5.144
  408    HH2  TRP  56           HH2      TRP  56  59.481  -6.092   6.209
  409    H    GLY  57           H        GLY  57  60.349 -10.607  -2.073
  410   1HA   GLY  57          2HA       GLY  57  58.381 -12.794  -2.204
  411   2HA   GLY  57          1HA       GLY  57  57.965 -11.344  -3.120
  412    HA   PRO  58           HA       PRO  58  60.705 -14.143  -5.703
  413   1HB   PRO  58          2HB       PRO  58  58.705 -13.978  -7.760
  414   2HB   PRO  58          1HB       PRO  58  59.178 -15.392  -6.813
  415   1HG   PRO  58          2HG       PRO  58  56.722 -13.975  -6.657
  416   2HG   PRO  58          1HG       PRO  58  57.267 -15.280  -5.599
  417   1HD   PRO  58          2HD       PRO  58  57.082 -12.412  -5.027
  418   2HD   PRO  58          1HD       PRO  58  57.367 -13.760  -3.898
  419    H    ILE  59           H        ILE  59  59.901 -10.962  -5.593
  420    HA   ILE  59           HA       ILE  59  60.901 -10.342  -8.343
  421    HB   ILE  59           HB       ILE  59  59.612  -8.492  -6.322
  422   1HG1  ILE  59          2HG1      ILE  59  58.273 -10.195  -8.451
  423   2HG1  ILE  59          1HG1      ILE  59  58.110 -10.408  -6.707
  424   1HG2  ILE  59          1HG2      ILE  59  58.898  -7.813  -8.936
  425   2HG2  ILE  59          2HG2      ILE  59  60.595  -8.281  -9.059
  426   3HG2  ILE  59          3HG2      ILE  59  60.111  -7.003  -7.944
  427   1HD1  ILE  59          1HD1      ILE  59  57.169  -8.115  -6.535
  428   2HD1  ILE  59          2HD1      ILE  59  56.191  -9.152  -7.574
  429   3HD1  ILE  59          3HD1      ILE  59  57.275  -7.958  -8.288
  430    HA   PRO  60           HA       PRO  60  64.556  -9.622  -5.582
  431   1HB   PRO  60          2HB       PRO  60  66.084  -9.679  -8.017
  432   2HB   PRO  60          1HB       PRO  60  66.066 -10.872  -6.722
  433   1HG   PRO  60          2HG       PRO  60  64.902 -11.072  -9.355
  434   2HG   PRO  60          1HG       PRO  60  64.968 -12.307  -8.095
  435   1HD   PRO  60          2HD       PRO  60  62.657 -10.884  -8.983
  436   2HD   PRO  60          1HD       PRO  60  62.765 -11.989  -7.590
  437    H    MET  61           H        MET  61  65.413  -7.573  -5.221
  438    HA   MET  61           HA       MET  61  64.515  -5.369  -6.915
  439   1HB   MET  61          2HB       MET  61  64.672  -5.210  -4.476
  440   2HB   MET  61          1HB       MET  61  66.400  -5.568  -4.543
  441   1HG   MET  61          2HG       MET  61  65.797  -3.394  -6.337
  442   2HG   MET  61          1HG       MET  61  65.171  -3.030  -4.730
  443   1HE   MET  61          1HE       MET  61  66.132  -3.459  -2.788
  444   2HE   MET  61          2HE       MET  61  67.260  -2.116  -2.625
  445   3HE   MET  61          3HE       MET  61  67.826  -3.765  -2.384
  446    HA   PRO  62           HA       PRO  62  68.131  -5.712  -9.558
  447   1HB   PRO  62          2HB       PRO  62  67.608  -3.056 -10.531
  448   2HB   PRO  62          1HB       PRO  62  67.271  -4.588 -11.341
  449   1HG   PRO  62          2HG       PRO  62  65.387  -2.756 -10.196
  450   2HG   PRO  62          1HG       PRO  62  65.054  -4.297 -10.993
  451   1HD   PRO  62          2HD       PRO  62  64.862  -3.676  -8.176
  452   2HD   PRO  62          1HD       PRO  62  64.513  -5.226  -8.982
  453    HA   PRO  63           HA       PRO  63  70.768  -3.570  -6.624
  454   1HB   PRO  63          2HB       PRO  63  72.965  -3.796  -8.460
  455   2HB   PRO  63          1HB       PRO  63  72.657  -4.744  -7.004
  456   1HG   PRO  63          2HG       PRO  63  72.377  -5.564  -9.764
  457   2HG   PRO  63          1HG       PRO  63  72.186  -6.538  -8.303
  458   1HD   PRO  63          2HD       PRO  63  70.116  -5.679 -10.067
  459   2HD   PRO  63          1HD       PRO  63  69.909  -6.481  -8.489
  460    H    ASN  64           H        ASN  64  71.060  -1.383  -6.443
  461    HA   ASN  64           HA       ASN  64  70.832   0.266  -8.915
  462   1HB   ASN  64          2HB       ASN  64  70.557   0.929  -5.964
  463   2HB   ASN  64          1HB       ASN  64  70.128   1.993  -7.307
  464   1HD2  ASN  64          1HD2      ASN  64  69.315  -1.200  -5.872
  465   2HD2  ASN  64          2HD2      ASN  64  67.719  -1.234  -6.469
  466    H    ALA  65           H        ALA  65  72.147   2.325  -8.897
  467    HA   ALA  65           HA       ALA  65  74.950   1.708  -8.198
  468   1HB   ALA  65          1HB       ALA  65  73.428   3.582  -9.953
  469   2HB   ALA  65          2HB       ALA  65  74.846   2.604 -10.328
  470   3HB   ALA  65          3HB       ALA  65  75.025   4.105  -9.420
  471    H    VAL  66           H        VAL  66  72.957   2.344  -6.084
  472    HA   VAL  66           HA       VAL  66  73.491   5.049  -5.138
  473    HB   VAL  66           HB       VAL  66  72.340   4.102  -3.086
  474   1HG1  VAL  66          1HG1      VAL  66  71.321   4.698  -5.613
  475   2HG1  VAL  66          2HG1      VAL  66  70.385   4.551  -4.126
  476   3HG1  VAL  66          3HG1      VAL  66  70.559   3.162  -5.200
  477   1HG2  VAL  66          1HG2      VAL  66  73.229   1.675  -4.210
  478   2HG2  VAL  66          2HG2      VAL  66  71.476   1.668  -4.404
  479   3HG2  VAL  66          3HG2      VAL  66  72.185   1.870  -2.802
  480    H    SER  67           H        SER  67  75.528   5.568  -4.415
  481    HA   SER  67           HA       SER  67  77.614   3.828  -3.725
  482   1HB   SER  67          2HB       SER  67  76.855   6.645  -3.306
  483   2HB   SER  67          1HB       SER  67  78.002   6.034  -2.118
  484    HG   SER  67           HG       SER  67  78.792   6.923  -4.247
  485    H    ASP  68           H        ASP  68  78.534   4.023  -1.241
  486    HA   ASP  68           HA       ASP  68  76.777   2.367   0.343
  487   1HB   ASP  68          2HB       ASP  68  79.459   3.613   0.492
  488   2HB   ASP  68          1HB       ASP  68  78.703   3.291   2.054
  489    H    ASP  69           H        ASP  69  78.048   5.652   1.053
  490    HA   ASP  69           HA       ASP  69  76.380   6.253   3.237
  491   1HB   ASP  69          2HB       ASP  69  78.365   7.497   2.076
  492   2HB   ASP  69          1HB       ASP  69  77.102   8.271   1.118
  493    H    GLU  70           H        GLU  70  75.676   6.379  -0.231
  494    HA   GLU  70           HA       GLU  70  73.194   7.830  -0.030
  495   1HB   GLU  70          2HB       GLU  70  74.608   6.094  -2.024
  496   2HB   GLU  70          1HB       GLU  70  72.925   6.533  -2.324
  497   1HG   GLU  70          2HG       GLU  70  73.433   8.875  -2.280
  498   2HG   GLU  70          1HG       GLU  70  75.054   8.577  -1.653
  499    H    ALA  71           H        ALA  71  73.894   4.334  -0.327
  500    HA   ALA  71           HA       ALA  71  71.136   3.499  -0.101
  501   1HB   ALA  71          1HB       ALA  71  72.878   1.475   0.848
  502   2HB   ALA  71          2HB       ALA  71  73.799   2.381  -0.352
  503   3HB   ALA  71          3HB       ALA  71  72.254   1.653  -0.793
  504    H    GLN  72           H        GLN  72  73.473   4.620   2.176
  505    HA   GLN  72           HA       GLN  72  72.401   3.289   4.531
  506   1HB   GLN  72          2HB       GLN  72  74.277   5.559   3.901
  507   2HB   GLN  72          1HB       GLN  72  73.747   5.309   5.565
  508   1HG   GLN  72          2HG       GLN  72  74.423   2.817   5.134
  509   2HG   GLN  72          1HG       GLN  72  75.376   3.488   3.811
  510   1HE2  GLN  72          1HE2      GLN  72  75.694   6.070   5.488
  511   2HE2  GLN  72          2HE2      GLN  72  76.921   5.675   6.606
  512    H    THR  73           H        THR  73  72.017   6.440   2.961
  513    HA   THR  73           HA       THR  73  70.088   7.435   4.905
  514    HB   THR  73           HB       THR  73  70.752   8.319   2.077
  515    HG1  THR  73           HG1      THR  73  72.378   9.419   2.941
  516   1HG2  THR  73          1HG2      THR  73  70.104  10.503   3.717
  517   2HG2  THR  73          2HG2      THR  73  68.902   9.270   4.094
  518   3HG2  THR  73          3HG2      THR  73  69.110   9.817   2.431
  519    H    LEU  74           H        LEU  74  70.047   5.504   2.017
  520    HA   LEU  74           HA       LEU  74  67.225   5.876   1.386
  521   1HB   LEU  74          2HB       LEU  74  69.403   3.915   0.614
  522   2HB   LEU  74          1HB       LEU  74  67.770   3.798  -0.031
  523    HG   LEU  74           HG       LEU  74  69.557   6.237  -0.250
  524   1HD1  LEU  74          1HD1      LEU  74  69.116   3.861  -1.956
  525   2HD1  LEU  74          2HD1      LEU  74  70.485   4.972  -1.903
  526   3HD1  LEU  74          3HD1      LEU  74  69.026   5.410  -2.794
  527   1HD2  LEU  74          1HD2      LEU  74  67.611   6.643  -2.046
  528   2HD2  LEU  74          2HD2      LEU  74  67.444   7.161  -0.369
  529   3HD2  LEU  74          3HD2      LEU  74  66.703   5.653  -0.903
  530    H    ALA  75           H        ALA  75  69.163   3.602   3.282
  531    HA   ALA  75           HA       ALA  75  66.998   1.741   3.824
  532   1HB   ALA  75          1HB       ALA  75  69.310   2.058   5.680
  533   2HB   ALA  75          2HB       ALA  75  69.701   1.697   3.998
  534   3HB   ALA  75          3HB       ALA  75  68.676   0.597   4.921
  535    H    LYS  76           H        LYS  76  68.591   4.344   5.702
  536    HA   LYS  76           HA       LYS  76  66.837   4.161   7.980
  537   1HB   LYS  76          2HB       LYS  76  67.844   6.360   8.506
  538   2HB   LYS  76          1HB       LYS  76  69.076   5.235   7.936
  539   1HG   LYS  76          2HG       LYS  76  69.589   7.061   6.626
  540   2HG   LYS  76          1HG       LYS  76  68.417   6.267   5.572
  541   1HD   LYS  76          2HD       LYS  76  67.353   8.276   5.595
  542   2HD   LYS  76          1HD       LYS  76  66.783   7.770   7.186
  543   1HE   LYS  76          2HE       LYS  76  69.198   8.766   7.891
  544   2HE   LYS  76          1HE       LYS  76  68.856   9.785   6.480
  545   1HZ   LYS  76          1HZ       LYS  76  66.606   9.285   8.241
  546   2HZ   LYS  76          2HZ       LYS  76  67.076  10.720   7.463
  547   3HZ   LYS  76          3HZ       LYS  76  67.834  10.245   8.907
  548    H    TRP  77           H        TRP  77  66.614   5.719   4.844
  549    HA   TRP  77           HA       TRP  77  64.495   7.578   5.452
  550   1HB   TRP  77          2HB       TRP  77  65.872   7.783   3.461
  551   2HB   TRP  77          1HB       TRP  77  65.408   6.164   2.925
  552    HD1  TRP  77           HD1      TRP  77  63.538   9.418   3.910
  553    HE1  TRP  77           HE1      TRP  77  61.587   9.744   2.256
  554    HE3  TRP  77           HE3      TRP  77  64.130   5.257   1.010
  555    HZ2  TRP  77           HZ2      TRP  77  60.430   8.419   0.004
  556    HZ3  TRP  77           HZ3      TRP  77  62.590   4.814  -0.882
  557    HH2  TRP  77           HH2      TRP  77  60.741   6.389  -1.385
  558    H    ILE  78           H        ILE  78  64.549   4.216   4.263
  559    HA   ILE  78           HA       ILE  78  61.737   3.905   3.849
  560    HB   ILE  78           HB       ILE  78  63.901   1.946   4.696
  561   1HG1  ILE  78          2HG1      ILE  78  62.834   2.111   1.912
  562   2HG1  ILE  78          1HG1      ILE  78  63.920   3.400   2.432
  563   1HG2  ILE  78          1HG2      ILE  78  61.041   1.624   3.886
  564   2HG2  ILE  78          2HG2      ILE  78  61.986   0.701   5.055
  565   3HG2  ILE  78          3HG2      ILE  78  62.202   0.420   3.328
  566   1HD1  ILE  78          1HD1      ILE  78  65.551   1.943   1.794
  567   2HD1  ILE  78          2HD1      ILE  78  64.486   0.543   1.925
  568   3HD1  ILE  78          3HD1      ILE  78  65.245   1.211   3.370
  569    H    LEU  79           H        LEU  79  63.771   3.075   6.683
  570    HA   LEU  79           HA       LEU  79  61.642   2.220   8.387
  571   1HB   LEU  79          2HB       LEU  79  64.391   3.407   8.836
  572   2HB   LEU  79          1HB       LEU  79  63.394   2.808  10.163
  573    HG   LEU  79           HG       LEU  79  63.540   0.918   7.937
  574   1HD1  LEU  79          1HD1      LEU  79  65.977   0.317   8.824
  575   2HD1  LEU  79          2HD1      LEU  79  66.042   2.055   9.122
  576   3HD1  LEU  79          3HD1      LEU  79  65.748   1.450   7.491
  577   1HD2  LEU  79          1HD2      LEU  79  64.467  -0.417  10.051
  578   2HD2  LEU  79          2HD2      LEU  79  62.755  -0.014   9.911
  579   3HD2  LEU  79          3HD2      LEU  79  63.815   0.972  10.919
  580    H    SER  80           H        SER  80  62.792   5.394   7.474
  581    HA   SER  80           HA       SER  80  61.660   6.895   9.661
  582   1HB   SER  80          2HB       SER  80  63.230   7.307   7.371
  583   2HB   SER  80          1HB       SER  80  61.785   8.278   7.102
  584    HG   SER  80           HG       SER  80  62.272   9.492   8.789
  585    H    GLN  81           H        GLN  81  60.400   5.772   6.543
  586    HA   GLN  81           HA       GLN  81  58.064   7.323   6.305
  587   1HB   GLN  81          2HB       GLN  81  58.415   4.358   5.755
  588   2HB   GLN  81          1HB       GLN  81  57.262   5.435   4.969
  589   1HG   GLN  81          2HG       GLN  81  60.273   5.419   4.719
  590   2HG   GLN  81          1HG       GLN  81  59.068   5.278   3.440
  591   1HE2  GLN  81          1HE2      GLN  81  61.282   7.342   3.863
  592   2HE2  GLN  81          2HE2      GLN  81  60.475   8.844   3.808
  593    H    LYS  82           H        LYS  82  57.078   7.712   8.367
  594    HA   LYS  82           HA       LYS  82  55.786   7.192  10.291
  595   1HB   LYS  82          2HB       LYS  82  54.722   6.200   7.839
  596   2HB   LYS  82          1HB       LYS  82  54.351   5.012   9.089
  597   1HG   LYS  82          2HG       LYS  82  53.734   7.240  10.456
  598   2HG   LYS  82          1HG       LYS  82  53.429   7.834   8.822
  599   1HD   LYS  82          2HD       LYS  82  51.960   5.878   8.404
  600   2HD   LYS  82          1HD       LYS  82  52.226   5.340  10.062
  601   1HE   LYS  82          2HE       LYS  82  51.301   7.552  10.857
  602   2HE   LYS  82          1HE       LYS  82  50.866   7.905   9.171
  603   1HZ   LYS  82          1HZ       LYS  82  50.137   5.320  10.383
  604   2HZ   LYS  82          2HZ       LYS  82  49.420   6.126   9.072
  605   3HZ   LYS  82          3HZ       LYS  82  49.164   6.681  10.657
  606    HHA  HEM  83           HHA      HEM  83  63.057  -5.041  -1.260
  607    HHB  HEM  83           HHB      HEM  83  65.474   0.832  -0.380
  608    HHC  HEM  83           HHC      HEM  83  64.772   1.889  -6.549
  609    HHD  HEM  83           HHD      HEM  83  61.811  -3.631  -7.241
  610   1HMA  HEM  83          1HMA      HEM  83  65.062  -1.568   2.250
  611   2HMA  HEM  83          2HMA      HEM  83  66.048  -0.420   1.343
  612   3HMA  HEM  83          3HMA      HEM  83  66.652  -2.046   1.660
  613   1HAA  HEM  83          1HAA      HEM  83  64.398  -4.927   1.106
  614   2HAA  HEM  83          2HAA      HEM  83  66.047  -4.308   1.184
  615   1HBA  HEM  83          1HBA      HEM  83  66.026  -5.005  -1.402
  616   2HBA  HEM  83          2HBA      HEM  83  64.791  -6.126  -0.833
  617    H2A  HEM  83          3HBB      HEM  83  67.642   2.859  -6.390
  618   1HMB  HEM  83          1HMB      HEM  83  65.621   3.776  -1.461
  619   2HMB  HEM  83          2HMB      HEM  83  67.210   3.573  -2.202
  620   3HMB  HEM  83          3HMB      HEM  83  66.712   2.520  -0.877
  621    HAB  HEM  83           HAB      HEM  83  65.524   3.418  -5.855
  622   1HBB  HEM  83          1HBB      HEM  83  68.091   2.560  -4.711
  623   2HBB  HEM  83          2HBB      HEM  83  68.079   4.205  -5.339
  624   1HMC  HEM  83          1HMC      HEM  83  63.815   0.404  -9.908
  625   2HMC  HEM  83          2HMC      HEM  83  64.791   1.350  -8.784
  626   3HMC  HEM  83          3HMC      HEM  83  63.061   1.664  -8.930
  627    HAC  HEM  83           HAC      HEM  83  61.375  -2.555  -8.822
  628   1HBC  HEM  83          1HBC      HEM  83  63.639  -2.115 -10.200
  629   2HBC  HEM  83          2HBC      HEM  83  62.579  -0.953 -10.996
  630   1HMD  HEM  83          1HMD      HEM  83  59.923  -5.367  -6.083
  631   2HMD  HEM  83          2HMD      HEM  83  60.720  -6.830  -5.506
  632   3HMD  HEM  83          3HMD      HEM  83  61.410  -5.922  -6.853
  633   1HAD  HEM  83          1HAD      HEM  83  60.596  -6.961  -3.491
  634   2HAD  HEM  83          2HAD      HEM  83  60.723  -5.995  -2.025
  635   1HBD  HEM  83          1HBD      HEM  83  61.903  -7.938  -1.462
  636   2HBD  HEM  83          2HBD      HEM  83  63.191  -6.844  -1.970
  637    H2D  HEM  83          3HBC      HEM  83  62.141  -2.660 -10.955
  Start of MODEL    6
    1   1H    GLU   1          1H        GLU   1  69.623  18.322   2.405
    2   2H    GLU   1          2H        GLU   1  71.111  18.160   1.603
    3   3H    GLU   1          3H        GLU   1  70.695  17.088   2.855
    4    HA   GLU   1           HA       GLU   1  69.098  17.291   0.363
    5   1HB   GLU   1          2HB       GLU   1  71.795  16.385   0.781
    6   2HB   GLU   1          1HB       GLU   1  70.776  14.991   0.416
    7   1HG   GLU   1          2HG       GLU   1  71.557  15.870  -1.687
    8   2HG   GLU   1          1HG       GLU   1  69.852  16.299  -1.543
    9    H    ASP   2           H        ASP   2  67.168  16.400   0.988
   10    HA   ASP   2           HA       ASP   2  66.996  14.548   3.255
   11   1HB   ASP   2          2HB       ASP   2  65.174  16.013   1.387
   12   2HB   ASP   2          1HB       ASP   2  64.521  14.625   2.258
   13    HA   PRO   3           HA       PRO   3  67.252  10.763   1.034
   14   1HB   PRO   3          2HB       PRO   3  65.034   9.566   2.422
   15   2HB   PRO   3          1HB       PRO   3  66.760   9.340   2.726
   16   1HG   PRO   3          2HG       PRO   3  64.866  10.767   4.339
   17   2HG   PRO   3          1HG       PRO   3  66.595  10.558   4.627
   18   1HD   PRO   3          2HD       PRO   3  65.212  12.959   3.811
   19   2HD   PRO   3          1HD       PRO   3  66.955  12.750   4.117
   20    H    GLU   4           H        GLU   4  64.364  12.654   1.108
   21    HA   GLU   4           HA       GLU   4  62.767  11.019  -0.690
   22   1HB   GLU   4          2HB       GLU   4  62.308  13.120   0.955
   23   2HB   GLU   4          1HB       GLU   4  62.466  13.982  -0.575
   24   1HG   GLU   4          2HG       GLU   4  60.529  13.127  -1.409
   25   2HG   GLU   4          1HG       GLU   4  60.806  11.539  -0.690
   26    H    VAL   5           H        VAL   5  65.016  13.740  -1.067
   27    HA   VAL   5           HA       VAL   5  64.648  14.132  -3.883
   28    HB   VAL   5           HB       VAL   5  66.992  14.611  -2.019
   29   1HG1  VAL   5          1HG1      VAL   5  68.103  15.117  -3.926
   30   2HG1  VAL   5          2HG1      VAL   5  67.043  16.524  -4.029
   31   3HG1  VAL   5          3HG1      VAL   5  66.631  15.044  -4.893
   32   1HG2  VAL   5          1HG2      VAL   5  64.639  16.304  -2.902
   33   2HG2  VAL   5          2HG2      VAL   5  66.059  16.971  -2.095
   34   3HG2  VAL   5          3HG2      VAL   5  65.039  15.798  -1.261
   35    H    LEU   6           H        LEU   6  67.248  12.423  -2.116
   36    HA   LEU   6           HA       LEU   6  68.416  11.285  -4.496
   37   1HB   LEU   6          2HB       LEU   6  69.622   9.885  -2.793
   38   2HB   LEU   6          1HB       LEU   6  69.668  11.610  -2.437
   39    HG   LEU   6           HG       LEU   6  67.382  10.872  -1.134
   40   1HD1  LEU   6          1HD1      LEU   6  67.527   8.743  -0.222
   41   2HD1  LEU   6          2HD1      LEU   6  69.277   8.663  -0.425
   42   3HD1  LEU   6          3HD1      LEU   6  68.218   8.447  -1.818
   43   1HD2  LEU   6          1HD2      LEU   6  69.439  10.459   0.725
   44   2HD2  LEU   6          2HD2      LEU   6  68.677  12.002   0.338
   45   3HD2  LEU   6          3HD2      LEU   6  70.152  11.513  -0.496
   46    H    ALA   7           H        ALA   7  65.762  10.325  -2.433
   47    HA   ALA   7           HA       ALA   7  65.709   7.522  -3.133
   48   1HB   ALA   7          1HB       ALA   7  64.564   8.220  -1.179
   49   2HB   ALA   7          2HB       ALA   7  63.270   7.873  -2.325
   50   3HB   ALA   7          3HB       ALA   7  63.759   9.541  -2.025
   51    H    LYS   8           H        LYS   8  64.307  10.439  -4.585
   52    HA   LYS   8           HA       LYS   8  62.720   8.891  -6.521
   53   1HB   LYS   8          2HB       LYS   8  62.548  11.363  -5.364
   54   2HB   LYS   8          1HB       LYS   8  63.231  11.775  -6.938
   55   1HG   LYS   8          2HG       LYS   8  61.406  10.327  -7.969
   56   2HG   LYS   8          1HG       LYS   8  60.660  10.287  -6.372
   57   1HD   LYS   8          2HD       LYS   8  61.424  12.910  -7.640
   58   2HD   LYS   8          1HD       LYS   8  59.893  12.130  -8.036
   59   1HE   LYS   8          2HE       LYS   8  60.250  12.076  -5.177
   60   2HE   LYS   8          1HE       LYS   8  60.445  13.739  -5.766
   61   1HZ   LYS   8          1HZ       LYS   8  58.316  12.069  -6.904
   62   2HZ   LYS   8          2HZ       LYS   8  58.379  13.756  -6.715
   63   3HZ   LYS   8          3HZ       LYS   8  58.067  12.759  -5.375
   64    H    ASN   9           H        ASN   9  65.727  10.791  -6.495
   65    HA   ASN   9           HA       ASN   9  66.234  10.804  -9.300
   66   1HB   ASN   9          2HB       ASN   9  68.286  10.603  -7.083
   67   2HB   ASN   9          1HB       ASN   9  68.444  11.444  -8.625
   68   1HD2  ASN   9          1HD2      ASN   9  65.466  12.345  -8.172
   69   2HD2  ASN   9          2HD2      ASN   9  65.629  13.666  -7.107
   70    H    LYS  10           H        LYS  10  66.925   8.347  -6.811
   71    HA   LYS  10           HA       LYS  10  68.406   6.671  -8.726
   72   1HB   LYS  10          2HB       LYS  10  67.713   6.695  -5.831
   73   2HB   LYS  10          1HB       LYS  10  68.051   5.118  -6.555
   74   1HG   LYS  10          2HG       LYS  10  70.251   5.570  -6.422
   75   2HG   LYS  10          1HG       LYS  10  70.014   6.899  -7.558
   76   1HD   LYS  10          2HD       LYS  10  69.445   8.395  -5.672
   77   2HD   LYS  10          1HD       LYS  10  69.723   7.067  -4.546
   78   1HE   LYS  10          2HE       LYS  10  71.985   7.298  -4.663
   79   2HE   LYS  10          1HE       LYS  10  71.955   7.525  -6.423
   80   1HZ   LYS  10          1HZ       LYS  10  71.688   9.742  -6.232
   81   2HZ   LYS  10          2HZ       LYS  10  72.403   9.514  -4.709
   82   3HZ   LYS  10          3HZ       LYS  10  70.713   9.626  -4.847
   83    H    GLY  11           H        GLY  11  65.130   7.187  -7.959
   84   1HA   GLY  11          2HA       GLY  11  63.324   6.131  -9.142
   85   2HA   GLY  11          1HA       GLY  11  64.391   4.776  -9.509
   86    H    CYS  12           H        CYS  12  64.617   5.722  -6.250
   87    HA   CYS  12           HA       CYS  12  63.639   3.232  -5.252
   88   1HB   CYS  12          2HB       CYS  12  63.780   5.868  -3.773
   89   2HB   CYS  12          1HB       CYS  12  63.972   4.254  -3.097
   90    H    MET  13           H        MET  13  62.054   6.375  -5.682
   91    HA   MET  13           HA       MET  13  59.582   5.499  -4.349
   92   1HB   MET  13          2HB       MET  13  60.708   7.955  -5.642
   93   2HB   MET  13          1HB       MET  13  58.953   7.841  -5.468
   94   1HG   MET  13          2HG       MET  13  59.704   7.051  -2.993
   95   2HG   MET  13          1HG       MET  13  61.049   8.124  -3.380
   96   1HE   MET  13          1HE       MET  13  57.524   7.460  -2.827
   97   2HE   MET  13          2HE       MET  13  56.738   8.995  -2.468
   98   3HE   MET  13          3HE       MET  13  57.930   8.341  -1.348
   99    H    ALA  14           H        ALA  14  60.819   4.539  -7.167
  100    HA   ALA  14           HA       ALA  14  58.495   5.030  -8.911
  101   1HB   ALA  14          1HB       ALA  14  61.253   4.552  -9.199
  102   2HB   ALA  14          2HB       ALA  14  60.073   4.721 -10.500
  103   3HB   ALA  14          3HB       ALA  14  60.461   3.123  -9.863
  104    H    CYS  15           H        CYS  15  60.047   2.326  -7.219
  105    HA   CYS  15           HA       CYS  15  57.807   0.525  -8.030
  106   1HB   CYS  15          2HB       CYS  15  60.574   0.123  -6.866
  107   2HB   CYS  15          1HB       CYS  15  59.438  -1.196  -7.131
  108    H    HIS  16           H        HIS  16  59.222   2.180  -5.283
  109    HA   HIS  16           HA       HIS  16  57.804   0.435  -3.353
  110   1HB   HIS  16          2HB       HIS  16  59.932   2.519  -3.340
  111   2HB   HIS  16          1HB       HIS  16  58.998   2.306  -1.856
  112    HD1  HIS  16           HD1      HIS  16  58.627  -0.577  -1.510
  113    HD2  HIS  16           HD2      HIS  16  62.163   0.911  -3.145
  114    HE1  HIS  16           HE1      HIS  16  60.381  -2.369  -1.174
  115    H    ALA  17           H        ALA  17  56.631   1.486  -1.561
  116    HA   ALA  17           HA       ALA  17  55.263   4.047  -2.196
  117   1HB   ALA  17          1HB       ALA  17  53.414   2.923  -2.872
  118   2HB   ALA  17          2HB       ALA  17  53.303   2.210  -1.263
  119   3HB   ALA  17          3HB       ALA  17  54.200   1.382  -2.535
  120    H    ILE  18           H        ILE  18  55.480   5.203  -0.314
  121    HA   ILE  18           HA       ILE  18  56.557   4.479   2.095
  122    HB   ILE  18           HB       ILE  18  54.210   6.321   1.535
  123   1HG1  ILE  18          2HG1      ILE  18  56.924   7.366   2.084
  124   2HG1  ILE  18          1HG1      ILE  18  56.774   6.454   0.583
  125   1HG2  ILE  18          1HG2      ILE  18  55.787   7.235   3.712
  126   2HG2  ILE  18          2HG2      ILE  18  55.408   5.544   4.035
  127   3HG2  ILE  18          3HG2      ILE  18  54.107   6.702   3.753
  128   1HD1  ILE  18          1HD1      ILE  18  56.302   8.954   0.405
  129   2HD1  ILE  18          2HD1      ILE  18  54.845   8.653   1.351
  130   3HD1  ILE  18          3HD1      ILE  18  55.044   7.894  -0.228
  131    H    ASP  19           H        ASP  19  53.332   3.585   0.995
  132    HA   ASP  19           HA       ASP  19  53.071   1.895   3.435
  133   1HB   ASP  19          2HB       ASP  19  50.938   2.834   3.999
  134   2HB   ASP  19          1HB       ASP  19  52.015   4.203   3.727
  135    H    THR  20           H        THR  20  51.708   2.805   0.276
  136    HA   THR  20           HA       THR  20  50.039   0.460   0.021
  137    HB   THR  20           HB       THR  20  50.330   1.262  -2.498
  138    HG1  THR  20           HG1      THR  20  51.022   3.405  -2.556
  139   1HG2  THR  20          1HG2      THR  20  49.093   3.364  -0.810
  140   2HG2  THR  20          2HG2      THR  20  48.515   1.720  -0.549
  141   3HG2  THR  20          3HG2      THR  20  48.407   2.449  -2.152
  142    H    LYS  21           H        LYS  21  50.429  -1.393  -1.338
  143    HA   LYS  21           HA       LYS  21  53.294  -2.154  -1.486
  144   1HB   LYS  21          2HB       LYS  21  50.646  -3.615  -1.584
  145   2HB   LYS  21          1HB       LYS  21  52.183  -4.429  -1.879
  146   1HG   LYS  21          2HG       LYS  21  52.898  -3.295   0.382
  147   2HG   LYS  21          1HG       LYS  21  51.159  -3.185   0.656
  148   1HD   LYS  21          2HD       LYS  21  51.874  -5.809  -0.351
  149   2HD   LYS  21          1HD       LYS  21  52.789  -5.429   1.108
  150   1HE   LYS  21          2HE       LYS  21  49.803  -4.955   0.971
  151   2HE   LYS  21          1HE       LYS  21  50.477  -6.524   1.456
  152   1HZ   LYS  21          1HZ       LYS  21  50.112  -4.704   3.248
  153   2HZ   LYS  21          2HZ       LYS  21  51.546  -4.041   2.626
  154   3HZ   LYS  21          3HZ       LYS  21  51.543  -5.614   3.269
  155    H    MET  22           H        MET  22  53.998  -1.189  -3.439
  156    HA   MET  22           HA       MET  22  52.408  -1.659  -5.908
  157   1HB   MET  22          2HB       MET  22  54.810   0.029  -5.155
  158   2HB   MET  22          1HB       MET  22  54.180  -0.055  -6.802
  159   1HG   MET  22          2HG       MET  22  51.884   0.423  -5.428
  160   2HG   MET  22          1HG       MET  22  53.046   1.281  -4.414
  161   1HE   MET  22          1HE       MET  22  54.976   2.250  -5.396
  162   2HE   MET  22          2HE       MET  22  54.428   3.887  -5.749
  163   3HE   MET  22          3HE       MET  22  55.167   2.919  -7.023
  164    H    VAL  23           H        VAL  23  55.532  -1.310  -6.903
  165    HA   VAL  23           HA       VAL  23  55.766  -4.047  -7.792
  166    HB   VAL  23           HB       VAL  23  57.742  -1.746  -7.671
  167   1HG1  VAL  23          1HG1      VAL  23  58.603  -3.082  -9.758
  168   2HG1  VAL  23          2HG1      VAL  23  57.765  -4.440  -9.006
  169   3HG1  VAL  23          3HG1      VAL  23  59.065  -3.617  -8.143
  170   1HG2  VAL  23          1HG2      VAL  23  55.510  -2.502  -9.509
  171   2HG2  VAL  23          2HG2      VAL  23  56.971  -1.830 -10.231
  172   3HG2  VAL  23          3HG2      VAL  23  56.073  -0.901  -9.030
  173    H    GLY  24           H        GLY  24  57.091  -2.196  -5.102
  174   1HA   GLY  24          2HA       GLY  24  58.379  -4.706  -4.100
  175   2HA   GLY  24          1HA       GLY  24  59.084  -3.107  -3.825
  176    HA   PRO  25           HA       PRO  25  56.075  -4.373  -0.395
  177   1HB   PRO  25          2HB       PRO  25  58.273  -4.228   1.455
  178   2HB   PRO  25          1HB       PRO  25  57.326  -5.648   1.000
  179   1HG   PRO  25          2HG       PRO  25  60.038  -5.106   0.323
  180   2HG   PRO  25          1HG       PRO  25  59.039  -6.447  -0.244
  181   1HD   PRO  25          2HD       PRO  25  59.917  -4.087  -1.721
  182   2HD   PRO  25          1HD       PRO  25  59.088  -5.539  -2.333
  183    H    ALA  26           H        ALA  26  55.059  -2.614   0.540
  184    HA   ALA  26           HA       ALA  26  55.798   0.053   0.239
  185   1HB   ALA  26          1HB       ALA  26  53.667  -1.140   1.187
  186   2HB   ALA  26          2HB       ALA  26  54.061   0.477   1.770
  187   3HB   ALA  26          3HB       ALA  26  54.457  -0.935   2.750
  188    H    TYR  27           H        TYR  27  56.861   1.585   1.651
  189    HA   TYR  27           HA       TYR  27  59.231   0.621   2.956
  190   1HB   TYR  27          2HB       TYR  27  57.722   3.235   2.823
  191   2HB   TYR  27          1HB       TYR  27  59.232   3.096   3.711
  192    HD1  TYR  27           HD1      TYR  27  60.563   1.034   1.840
  193    HD2  TYR  27           HD2      TYR  27  58.461   4.706   1.087
  194    HE1  TYR  27           HE1      TYR  27  61.818   1.321  -0.274
  195    HE2  TYR  27           HE2      TYR  27  59.722   4.991  -1.028
  196    HH   TYR  27           HH       TYR  27  62.476   3.130  -1.789
  197    H    LYS  28           H        LYS  28  56.238   2.066   4.301
  198    HA   LYS  28           HA       LYS  28  56.856   1.839   7.041
  199   1HB   LYS  28          2HB       LYS  28  54.441   1.954   5.316
  200   2HB   LYS  28          1HB       LYS  28  54.181   1.364   6.958
  201   1HG   LYS  28          2HG       LYS  28  55.492   3.406   7.755
  202   2HG   LYS  28          1HG       LYS  28  55.347   4.021   6.107
  203   1HD   LYS  28          2HD       LYS  28  52.773   3.096   6.929
  204   2HD   LYS  28          1HD       LYS  28  53.410   4.133   8.205
  205   1HE   LYS  28          2HE       LYS  28  53.625   5.993   6.754
  206   2HE   LYS  28          1HE       LYS  28  53.534   4.976   5.301
  207   1HZ   LYS  28          1HZ       LYS  28  51.326   5.064   5.350
  208   2HZ   LYS  28          2HZ       LYS  28  51.418   6.190   6.617
  209   3HZ   LYS  28          3HZ       LYS  28  51.278   4.532   6.960
  210    H    ASP  29           H        ASP  29  55.192  -0.515   4.944
  211    HA   ASP  29           HA       ASP  29  54.807  -2.600   6.802
  212   1HB   ASP  29          2HB       ASP  29  55.216  -2.330   3.852
  213   2HB   ASP  29          1HB       ASP  29  55.258  -3.955   4.535
  214    H    VAL  30           H        VAL  30  57.672  -1.893   4.784
  215    HA   VAL  30           HA       VAL  30  59.278  -4.117   5.427
  216    HB   VAL  30           HB       VAL  30  59.960  -1.194   4.980
  217   1HG1  VAL  30          1HG1      VAL  30  61.646  -3.329   5.818
  218   2HG1  VAL  30          2HG1      VAL  30  62.126  -1.712   5.301
  219   3HG1  VAL  30          3HG1      VAL  30  62.006  -3.016   4.119
  220   1HG2  VAL  30          1HG2      VAL  30  60.614  -2.947   2.811
  221   2HG2  VAL  30          2HG2      VAL  30  59.440  -1.631   2.834
  222   3HG2  VAL  30          3HG2      VAL  30  58.946  -3.262   3.290
  223    H    ALA  31           H        ALA  31  58.783  -1.095   7.228
  224    HA   ALA  31           HA       ALA  31  60.727  -1.703   9.294
  225   1HB   ALA  31          1HB       ALA  31  60.313   0.524   9.410
  226   2HB   ALA  31          2HB       ALA  31  58.863   0.098  10.317
  227   3HB   ALA  31          3HB       ALA  31  58.771   0.349   8.574
  228    H    ALA  32           H        ALA  32  57.313  -2.426   8.835
  229    HA   ALA  32           HA       ALA  32  56.740  -3.131  11.581
  230   1HB   ALA  32          1HB       ALA  32  54.713  -4.086  10.562
  231   2HB   ALA  32          2HB       ALA  32  55.465  -4.001   8.969
  232   3HB   ALA  32          3HB       ALA  32  55.075  -2.518   9.840
  233    H    LYS  33           H        LYS  33  58.150  -4.857   8.858
  234    HA   LYS  33           HA       LYS  33  57.895  -7.468  10.206
  235   1HB   LYS  33          2HB       LYS  33  57.549  -7.365   7.823
  236   2HB   LYS  33          1HB       LYS  33  59.078  -6.511   7.588
  237   1HG   LYS  33          2HG       LYS  33  60.239  -8.444   7.548
  238   2HG   LYS  33          1HG       LYS  33  59.472  -9.003   9.036
  239   1HD   LYS  33          2HD       LYS  33  57.861 -10.187   7.922
  240   2HD   LYS  33          1HD       LYS  33  57.766  -9.018   6.604
  241   1HE   LYS  33          2HE       LYS  33  59.638  -9.937   5.491
  242   2HE   LYS  33          1HE       LYS  33  60.205 -10.773   6.949
  243   1HZ   LYS  33          1HZ       LYS  33  57.505 -11.448   6.253
  244   2HZ   LYS  33          2HZ       LYS  33  58.818 -12.468   6.601
  245   3HZ   LYS  33          3HZ       LYS  33  58.603 -11.861   5.030
  246    H    TYR  34           H        TYR  34  60.512  -5.217   9.241
  247    HA   TYR  34           HA       TYR  34  62.537  -6.909  10.576
  248   1HB   TYR  34          2HB       TYR  34  62.477  -4.395   8.917
  249   2HB   TYR  34          1HB       TYR  34  63.942  -4.823   9.809
  250    HD1  TYR  34           HD1      TYR  34  65.084  -7.004   9.367
  251    HD2  TYR  34           HD2      TYR  34  61.801  -5.620   6.968
  252    HE1  TYR  34           HE1      TYR  34  65.684  -8.639   7.602
  253    HE2  TYR  34           HE2      TYR  34  62.403  -7.256   5.203
  254    HH   TYR  34           HH       TYR  34  64.468  -9.832   5.710
  255    H    ALA  35           H        ALA  35  60.275  -4.746  11.660
  256    HA   ALA  35           HA       ALA  35  61.625  -2.918  13.336
  257   1HB   ALA  35          1HB       ALA  35  59.401  -2.502  13.495
  258   2HB   ALA  35          2HB       ALA  35  59.358  -3.766  14.725
  259   3HB   ALA  35          3HB       ALA  35  58.993  -4.158  13.045
  260    H    GLY  36           H        GLY  36  63.048  -3.319  14.985
  261   1HA   GLY  36          2HA       GLY  36  63.429  -4.316  17.204
  262   2HA   GLY  36          1HA       GLY  36  62.640  -5.784  16.622
  263    H    GLN  37           H        GLN  37  64.697  -4.358  14.307
  264    HA   GLN  37           HA       GLN  37  66.620  -6.589  14.627
  265   1HB   GLN  37          2HB       GLN  37  65.702  -4.699  12.537
  266   2HB   GLN  37          1HB       GLN  37  67.406  -5.148  12.444
  267   1HG   GLN  37          2HG       GLN  37  65.876  -7.505  13.007
  268   2HG   GLN  37          1HG       GLN  37  65.155  -6.684  11.622
  269   1HE2  GLN  37          1HE2      GLN  37  68.302  -7.912  12.848
  270   2HE2  GLN  37          2HE2      GLN  37  68.979  -8.158  11.302
  271    H    ALA  38           H        ALA  38  68.784  -6.282  15.192
  272    HA   ALA  38           HA       ALA  38  69.488  -3.711  16.438
  273   1HB   ALA  38          1HB       ALA  38  70.227  -5.477  17.730
  274   2HB   ALA  38          2HB       ALA  38  71.664  -5.260  16.729
  275   3HB   ALA  38          3HB       ALA  38  70.493  -6.518  16.332
  276    H    GLY  39           H        GLY  39  69.221  -3.180  13.763
  277   1HA   GLY  39          2HA       GLY  39  70.980  -1.731  12.634
  278   2HA   GLY  39          1HA       GLY  39  72.037  -3.138  12.749
  279    H    ALA  40           H        ALA  40  68.609  -2.847  11.771
  280    HA   ALA  40           HA       ALA  40  68.970  -4.719   9.575
  281   1HB   ALA  40          1HB       ALA  40  66.840  -3.088  10.842
  282   2HB   ALA  40          2HB       ALA  40  66.801  -4.772  10.321
  283   3HB   ALA  40          3HB       ALA  40  66.578  -3.479   9.144
  284    H    GLU  41           H        GLU  41  69.240  -1.258   9.928
  285    HA   GLU  41           HA       GLU  41  68.842  -0.563   7.142
  286   1HB   GLU  41          2HB       GLU  41  69.962   1.558   7.922
  287   2HB   GLU  41          1HB       GLU  41  68.612   1.059   8.941
  288   1HG   GLU  41          2HG       GLU  41  70.004   0.357  10.677
  289   2HG   GLU  41          1HG       GLU  41  71.385   0.116   9.604
  290    H    ALA  42           H        ALA  42  71.570  -1.677   9.061
  291    HA   ALA  42           HA       ALA  42  73.690  -0.966   7.256
  292   1HB   ALA  42          1HB       ALA  42  74.799  -2.919   8.541
  293   2HB   ALA  42          2HB       ALA  42  73.263  -3.064   9.396
  294   3HB   ALA  42          3HB       ALA  42  74.198  -1.572   9.508
  295    H    TYR  43           H        TYR  43  71.961  -4.085   7.725
  296    HA   TYR  43           HA       TYR  43  73.177  -5.316   5.397
  297   1HB   TYR  43          2HB       TYR  43  72.410  -6.822   7.018
  298   2HB   TYR  43          1HB       TYR  43  70.962  -5.872   7.356
  299    HD1  TYR  43           HD1      TYR  43  72.368  -8.607   5.458
  300    HD2  TYR  43           HD2      TYR  43  69.096  -5.830   5.626
  301    HE1  TYR  43           HE1      TYR  43  71.056 -10.062   3.937
  302    HE2  TYR  43           HE2      TYR  43  67.784  -7.283   4.104
  303    HH   TYR  43           HH       TYR  43  68.405  -9.074   2.282
  304    H    LEU  44           H        LEU  44  70.341  -3.338   5.963
  305    HA   LEU  44           HA       LEU  44  69.021  -3.878   3.441
  306   1HB   LEU  44          2HB       LEU  44  68.968  -1.758   5.587
  307   2HB   LEU  44          1HB       LEU  44  68.081  -1.493   4.081
  308    HG   LEU  44           HG       LEU  44  67.770  -3.969   5.799
  309   1HD1  LEU  44          1HD1      LEU  44  66.046  -1.478   5.643
  310   2HD1  LEU  44          2HD1      LEU  44  67.003  -1.988   7.035
  311   3HD1  LEU  44          3HD1      LEU  44  65.623  -2.953   6.512
  312   1HD2  LEU  44          1HD2      LEU  44  65.740  -4.284   4.425
  313   2HD2  LEU  44          2HD2      LEU  44  67.182  -4.225   3.411
  314   3HD2  LEU  44          3HD2      LEU  44  66.123  -2.819   3.523
  315    H    ALA  45           H        ALA  45  71.676  -1.895   4.529
  316    HA   ALA  45           HA       ALA  45  71.791  -0.131   2.228
  317   1HB   ALA  45          1HB       ALA  45  74.099   0.291   3.199
  318   2HB   ALA  45          2HB       ALA  45  73.752  -0.966   4.385
  319   3HB   ALA  45          3HB       ALA  45  72.777   0.502   4.348
  320    H    GLN  46           H        GLN  46  73.349  -3.206   3.151
  321    HA   GLN  46           HA       GLN  46  74.997  -3.278   0.738
  322   1HB   GLN  46          2HB       GLN  46  75.886  -4.432   2.579
  323   2HB   GLN  46          1HB       GLN  46  74.316  -5.081   3.049
  324   1HG   GLN  46          2HG       GLN  46  74.347  -6.716   1.351
  325   2HG   GLN  46          1HG       GLN  46  75.602  -5.875   0.443
  326   1HE2  GLN  46          1HE2      GLN  46  75.749  -6.363   3.965
  327   2HE2  GLN  46          2HE2      GLN  46  77.076  -7.435   3.929
  328    H    ARG  47           H        ARG  47  71.770  -4.242   1.615
  329    HA   ARG  47           HA       ARG  47  71.470  -6.021  -0.732
  330   1HB   ARG  47          2HB       ARG  47  69.819  -5.155   1.638
  331   2HB   ARG  47          1HB       ARG  47  69.053  -5.982   0.284
  332   1HG   ARG  47          2HG       ARG  47  71.328  -7.015   1.998
  333   2HG   ARG  47          1HG       ARG  47  69.688  -7.657   1.908
  334   1HD   ARG  47          2HD       ARG  47  70.161  -8.019  -0.613
  335   2HD   ARG  47          1HD       ARG  47  71.870  -7.803  -0.178
  336    HE   ARG  47           HE       ARG  47  70.736  -9.594   1.707
  337   1HH1  ARG  47          1HH1      ARG  47  71.450  -9.382  -1.667
  338   2HH1  ARG  47          2HH1      ARG  47  71.689 -11.087  -1.854
  339   1HH2  ARG  47          1HH2      ARG  47  71.047 -11.818   1.471
  340   2HH2  ARG  47          2HH2      ARG  47  71.462 -12.464  -0.082
  341    H    ILE  48           H        ILE  48  71.035  -2.716   0.140
  342    HA   ILE  48           HA       ILE  48  69.018  -2.150  -1.930
  343    HB   ILE  48           HB       ILE  48  70.610  -0.601   0.114
  344   1HG1  ILE  48          2HG1      ILE  48  67.625  -0.673  -0.346
  345   2HG1  ILE  48          1HG1      ILE  48  68.444  -1.924   0.589
  346   1HG2  ILE  48          1HG2      ILE  48  69.211   1.399  -0.712
  347   2HG2  ILE  48          2HG2      ILE  48  68.984   0.473  -2.196
  348   3HG2  ILE  48          3HG2      ILE  48  70.607   0.944  -1.690
  349   1HD1  ILE  48          1HD1      ILE  48  68.022  -0.478   2.317
  350   2HD1  ILE  48          2HD1      ILE  48  67.965   0.933   1.262
  351   3HD1  ILE  48          3HD1      ILE  48  69.520   0.260   1.750
  352    H    LYS  49           H        LYS  49  72.522  -1.948  -1.481
  353    HA   LYS  49           HA       LYS  49  72.897  -0.452  -3.995
  354   1HB   LYS  49          2HB       LYS  49  74.242  -0.261  -1.819
  355   2HB   LYS  49          1HB       LYS  49  74.963  -1.811  -2.252
  356   1HG   LYS  49          2HG       LYS  49  75.904  -0.924  -4.259
  357   2HG   LYS  49          1HG       LYS  49  74.946   0.552  -4.137
  358   1HD   LYS  49          2HD       LYS  49  76.332   1.486  -2.571
  359   2HD   LYS  49          1HD       LYS  49  76.700  -0.067  -1.820
  360   1HE   LYS  49          2HE       LYS  49  78.436  -0.524  -3.295
  361   2HE   LYS  49          1HE       LYS  49  77.714   0.439  -4.600
  362   1HZ   LYS  49          1HZ       LYS  49  78.022   2.369  -2.924
  363   2HZ   LYS  49          2HZ       LYS  49  79.354   1.845  -3.840
  364   3HZ   LYS  49          3HZ       LYS  49  79.187   1.355  -2.221
  365    H    ASN  50           H        ASN  50  72.514  -3.716  -3.058
  366    HA   ASN  50           HA       ASN  50  73.794  -4.653  -5.611
  367   1HB   ASN  50          2HB       ASN  50  73.530  -5.875  -2.854
  368   2HB   ASN  50          1HB       ASN  50  73.964  -6.839  -4.265
  369   1HD2  ASN  50          1HD2      ASN  50  75.624  -6.042  -1.835
  370   2HD2  ASN  50          2HD2      ASN  50  77.013  -5.301  -2.491
  371    H    GLY  51           H        GLY  51  70.910  -4.362  -3.791
  372   1HA   GLY  51          2HA       GLY  51  68.733  -5.187  -4.120
  373   2HA   GLY  51          1HA       GLY  51  69.207  -5.335  -5.813
  374    H    SER  52           H        SER  52  67.510  -7.298  -4.826
  375    HA   SER  52           HA       SER  52  68.843  -9.723  -5.445
  376   1HB   SER  52          2HB       SER  52  69.522  -8.639  -2.871
  377   2HB   SER  52          1HB       SER  52  68.681 -10.169  -2.642
  378    HG   SER  52           HG       SER  52  70.615 -10.019  -4.650
  379    H    GLN  53           H        GLN  53  67.611 -11.702  -4.752
  380    HA   GLN  53           HA       GLN  53  64.729 -11.031  -4.340
  381   1HB   GLN  53          2HB       GLN  53  64.344 -12.572  -5.971
  382   2HB   GLN  53          1HB       GLN  53  66.070 -12.477  -6.288
  383   1HG   GLN  53          2HG       GLN  53  64.693 -14.480  -4.469
  384   2HG   GLN  53          1HG       GLN  53  65.396 -14.814  -6.047
  385   1HE2  GLN  53          1HE2      GLN  53  67.858 -14.047  -6.176
  386   2HE2  GLN  53          2HE2      GLN  53  68.808 -14.433  -4.814
  387    H    GLY  54           H        GLY  54  63.675 -13.303  -3.364
  388   1HA   GLY  54          2HA       GLY  54  63.460 -14.634  -1.437
  389   2HA   GLY  54          1HA       GLY  54  65.221 -14.609  -1.314
  390    H    VAL  55           H        VAL  55  63.974 -11.487  -1.548
  391    HA   VAL  55           HA       VAL  55  64.580 -10.966   1.296
  392    HB   VAL  55           HB       VAL  55  63.783  -9.146  -1.002
  393   1HG1  VAL  55          1HG1      VAL  55  63.869  -8.548   1.656
  394   2HG1  VAL  55          2HG1      VAL  55  64.199  -7.381   0.375
  395   3HG1  VAL  55          3HG1      VAL  55  65.533  -8.203   1.185
  396   1HG2  VAL  55          1HG2      VAL  55  65.815 -10.476  -1.499
  397   2HG2  VAL  55          2HG2      VAL  55  66.533  -9.932   0.017
  398   3HG2  VAL  55          3HG2      VAL  55  66.204  -8.771  -1.270
  399    H    TRP  56           H        TRP  56  61.902 -10.350  -0.994
  400    HA   TRP  56           HA       TRP  56  60.006 -10.405   1.320
  401   1HB   TRP  56          2HB       TRP  56  60.280  -8.574  -1.070
  402   2HB   TRP  56          1HB       TRP  56  58.792  -8.669  -0.133
  403    HD1  TRP  56           HD1      TRP  56  62.230  -7.207  -0.113
  404    HE1  TRP  56           HE1      TRP  56  62.586  -5.829   2.036
  405    HE3  TRP  56           HE3      TRP  56  58.094  -8.611   2.542
  406    HZ2  TRP  56           HZ2      TRP  56  61.299  -5.381   4.541
  407    HZ3  TRP  56           HZ3      TRP  56  57.689  -7.687   4.809
  408    HH2  TRP  56           HH2      TRP  56  59.284  -6.077   5.807
  409    H    GLY  57           H        GLY  57  60.553 -10.952  -2.144
  410   1HA   GLY  57          2HA       GLY  57  58.748 -13.233  -2.158
  411   2HA   GLY  57          1HA       GLY  57  58.084 -11.847  -3.024
  412    HA   PRO  58           HA       PRO  58  60.751 -14.294  -5.954
  413   1HB   PRO  58          2HB       PRO  58  58.646 -13.961  -7.881
  414   2HB   PRO  58          1HB       PRO  58  59.154 -15.449  -7.076
  415   1HG   PRO  58          2HG       PRO  58  56.725 -14.019  -6.675
  416   2HG   PRO  58          1HG       PRO  58  57.295 -15.432  -5.781
  417   1HD   PRO  58          2HD       PRO  58  57.170 -12.645  -4.906
  418   2HD   PRO  58          1HD       PRO  58  57.532 -14.101  -3.943
  419    H    ILE  59           H        ILE  59  59.735 -11.138  -5.597
  420    HA   ILE  59           HA       ILE  59  60.758 -10.289  -8.275
  421    HB   ILE  59           HB       ILE  59  59.117  -8.846  -6.169
  422   1HG1  ILE  59          2HG1      ILE  59  58.409 -10.305  -8.726
  423   2HG1  ILE  59          1HG1      ILE  59  57.772 -10.587  -7.106
  424   1HG2  ILE  59          1HG2      ILE  59  59.266  -6.974  -7.442
  425   2HG2  ILE  59          2HG2      ILE  59  59.100  -7.881  -8.945
  426   3HG2  ILE  59          3HG2      ILE  59  60.676  -7.747  -8.166
  427   1HD1  ILE  59          1HD1      ILE  59  56.967  -8.588  -9.116
  428   2HD1  ILE  59          2HD1      ILE  59  57.168  -7.932  -7.491
  429   3HD1  ILE  59          3HD1      ILE  59  56.049  -9.266  -7.771
  430    HA   PRO  60           HA       PRO  60  64.246  -9.433  -5.314
  431   1HB   PRO  60          2HB       PRO  60  65.889  -9.448  -7.674
  432   2HB   PRO  60          1HB       PRO  60  65.857 -10.629  -6.368
  433   1HG   PRO  60          2HG       PRO  60  64.839 -10.908  -9.051
  434   2HG   PRO  60          1HG       PRO  60  64.892 -12.122  -7.770
  435   1HD   PRO  60          2HD       PRO  60  62.574 -10.806  -8.795
  436   2HD   PRO  60          1HD       PRO  60  62.659 -11.895  -7.388
  437    H    MET  61           H        MET  61  65.641  -7.517  -5.292
  438    HA   MET  61           HA       MET  61  64.488  -5.253  -6.825
  439   1HB   MET  61          2HB       MET  61  64.650  -5.016  -4.434
  440   2HB   MET  61          1HB       MET  61  66.331  -5.548  -4.439
  441   1HG   MET  61          2HG       MET  61  67.023  -3.566  -5.648
  442   2HG   MET  61          1HG       MET  61  65.347  -3.054  -5.852
  443   1HE   MET  61          1HE       MET  61  67.511  -3.462  -1.816
  444   2HE   MET  61          2HE       MET  61  68.376  -3.440  -3.351
  445   3HE   MET  61          3HE       MET  61  67.233  -4.736  -3.011
  446    HA   PRO  62           HA       PRO  62  68.085  -5.467  -9.499
  447   1HB   PRO  62          2HB       PRO  62  67.513  -2.800 -10.423
  448   2HB   PRO  62          1HB       PRO  62  67.182  -4.325 -11.250
  449   1HG   PRO  62          2HG       PRO  62  65.277  -2.543 -10.110
  450   2HG   PRO  62          1HG       PRO  62  64.968  -4.132 -10.814
  451   1HD   PRO  62          2HD       PRO  62  64.937  -3.354  -8.001
  452   2HD   PRO  62          1HD       PRO  62  64.434  -4.898  -8.735
  453    HA   PRO  63           HA       PRO  63  70.824  -3.338  -6.678
  454   1HB   PRO  63          2HB       PRO  63  72.950  -3.455  -8.608
  455   2HB   PRO  63          1HB       PRO  63  72.711  -4.476  -7.187
  456   1HG   PRO  63          2HG       PRO  63  72.358  -5.179  -9.961
  457   2HG   PRO  63          1HG       PRO  63  72.183  -6.214  -8.540
  458   1HD   PRO  63          2HD       PRO  63  70.095  -5.217 -10.238
  459   2HD   PRO  63          1HD       PRO  63  69.910  -6.174  -8.746
  460    H    ASN  64           H        ASN  64  71.336  -1.157  -6.443
  461    HA   ASN  64           HA       ASN  64  71.026   0.571  -8.876
  462   1HB   ASN  64          2HB       ASN  64  70.554   1.130  -5.929
  463   2HB   ASN  64          1HB       ASN  64  70.198   2.240  -7.259
  464   1HD2  ASN  64          1HD2      ASN  64  69.292  -0.943  -5.888
  465   2HD2  ASN  64          2HD2      ASN  64  67.751  -0.995  -6.615
  466    H    ALA  65           H        ALA  65  72.306   2.640  -8.758
  467    HA   ALA  65           HA       ALA  65  75.067   2.083  -7.850
  468   1HB   ALA  65          1HB       ALA  65  73.725   4.237  -9.509
  469   2HB   ALA  65          2HB       ALA  65  74.724   2.909 -10.097
  470   3HB   ALA  65          3HB       ALA  65  75.455   4.219  -9.170
  471    H    VAL  66           H        VAL  66  73.095   2.562  -5.772
  472    HA   VAL  66           HA       VAL  66  73.181   5.298  -4.828
  473    HB   VAL  66           HB       VAL  66  72.252   4.244  -2.790
  474   1HG1  VAL  66          1HG1      VAL  66  70.262   3.506  -3.769
  475   2HG1  VAL  66          2HG1      VAL  66  71.098   2.696  -5.093
  476   3HG1  VAL  66          3HG1      VAL  66  70.978   4.454  -5.073
  477   1HG2  VAL  66          1HG2      VAL  66  73.479   2.293  -2.415
  478   2HG2  VAL  66          2HG2      VAL  66  73.397   1.796  -4.105
  479   3HG2  VAL  66          3HG2      VAL  66  71.979   1.636  -3.069
  480    H    SER  67           H        SER  67  75.096   6.255  -4.122
  481    HA   SER  67           HA       SER  67  77.530   4.970  -3.532
  482   1HB   SER  67          2HB       SER  67  76.243   7.530  -2.554
  483   2HB   SER  67          1HB       SER  67  77.902   7.106  -2.143
  484    HG   SER  67           HG       SER  67  78.105   8.216  -3.992
  485    H    ASP  68           H        ASP  68  78.502   5.130  -1.126
  486    HA   ASP  68           HA       ASP  68  77.179   3.179   0.483
  487   1HB   ASP  68          2HB       ASP  68  79.500   4.986   0.598
  488   2HB   ASP  68          1HB       ASP  68  78.821   4.624   2.186
  489    H    ASP  69           H        ASP  69  77.586   6.674   1.181
  490    HA   ASP  69           HA       ASP  69  75.765   6.776   3.365
  491   1HB   ASP  69          2HB       ASP  69  75.939   9.162   3.034
  492   2HB   ASP  69          1HB       ASP  69  77.497   8.467   2.583
  493    H    GLU  70           H        GLU  70  75.169   6.345   0.011
  494    HA   GLU  70           HA       GLU  70  72.503   7.554  -0.006
  495   1HB   GLU  70          2HB       GLU  70  74.369   6.160  -1.847
  496   2HB   GLU  70          1HB       GLU  70  72.653   6.012  -2.233
  497   1HG   GLU  70          2HG       GLU  70  73.932   8.679  -1.615
  498   2HG   GLU  70          1HG       GLU  70  73.876   8.023  -3.252
  499    H    ALA  71           H        ALA  71  73.816   4.229  -0.030
  500    HA   ALA  71           HA       ALA  71  71.195   2.977   0.096
  501   1HB   ALA  71          1HB       ALA  71  74.067   2.244   0.199
  502   2HB   ALA  71          2HB       ALA  71  72.742   1.462  -0.662
  503   3HB   ALA  71          3HB       ALA  71  72.990   1.139   1.055
  504    H    GLN  72           H        GLN  72  73.406   4.359   2.405
  505    HA   GLN  72           HA       GLN  72  72.327   3.020   4.757
  506   1HB   GLN  72          2HB       GLN  72  74.475   4.754   4.019
  507   2HB   GLN  72          1HB       GLN  72  73.579   5.545   5.315
  508   1HG   GLN  72          2HG       GLN  72  74.024   3.858   6.844
  509   2HG   GLN  72          1HG       GLN  72  74.214   2.630   5.592
  510   1HE2  GLN  72          1HE2      GLN  72  75.807   5.844   5.769
  511   2HE2  GLN  72          2HE2      GLN  72  77.394   5.224   5.838
  512    H    THR  73           H        THR  73  71.932   6.210   3.225
  513    HA   THR  73           HA       THR  73  69.932   7.119   5.137
  514    HB   THR  73           HB       THR  73  70.567   8.062   2.320
  515    HG1  THR  73           HG1      THR  73  72.155   9.250   3.214
  516   1HG2  THR  73          1HG2      THR  73  69.027   9.644   2.721
  517   2HG2  THR  73          2HG2      THR  73  69.922  10.153   4.153
  518   3HG2  THR  73          3HG2      THR  73  68.678   8.910   4.286
  519    H    LEU  74           H        LEU  74  69.979   5.202   2.252
  520    HA   LEU  74           HA       LEU  74  67.181   5.543   1.529
  521   1HB   LEU  74          2HB       LEU  74  69.453   3.687   0.818
  522   2HB   LEU  74          1HB       LEU  74  67.830   3.381   0.204
  523    HG   LEU  74           HG       LEU  74  69.175   6.073  -0.084
  524   1HD1  LEU  74          1HD1      LEU  74  70.460   5.286  -1.754
  525   2HD1  LEU  74          2HD1      LEU  74  69.052   4.573  -2.541
  526   3HD1  LEU  74          3HD1      LEU  74  69.949   3.651  -1.334
  527   1HD2  LEU  74          1HD2      LEU  74  67.277   6.664  -1.160
  528   2HD2  LEU  74          2HD2      LEU  74  66.563   5.197  -0.491
  529   3HD2  LEU  74          3HD2      LEU  74  67.267   5.178  -2.108
  530    H    ALA  75           H        ALA  75  69.067   3.167   3.401
  531    HA   ALA  75           HA       ALA  75  66.816   1.402   3.907
  532   1HB   ALA  75          1HB       ALA  75  69.011   0.499   4.075
  533   2HB   ALA  75          2HB       ALA  75  68.480   0.641   5.751
  534   3HB   ALA  75          3HB       ALA  75  69.574   1.843   5.067
  535    H    LYS  76           H        LYS  76  68.434   4.006   5.733
  536    HA   LYS  76           HA       LYS  76  66.779   3.842   8.081
  537   1HB   LYS  76          2HB       LYS  76  68.729   5.684   6.805
  538   2HB   LYS  76          1HB       LYS  76  67.623   6.431   7.958
  539   1HG   LYS  76          2HG       LYS  76  68.240   4.566   9.576
  540   2HG   LYS  76          1HG       LYS  76  69.529   4.134   8.452
  541   1HD   LYS  76          2HD       LYS  76  70.592   6.261   8.701
  542   2HD   LYS  76          1HD       LYS  76  69.196   6.935   9.543
  543   1HE   LYS  76          2HE       LYS  76  69.577   5.301  11.407
  544   2HE   LYS  76          1HE       LYS  76  71.059   4.770  10.583
  545   1HZ   LYS  76          1HZ       LYS  76  70.430   7.402  11.749
  546   2HZ   LYS  76          2HZ       LYS  76  71.532   7.295  10.460
  547   3HZ   LYS  76          3HZ       LYS  76  71.838   6.471  11.914
  548    H    TRP  77           H        TRP  77  66.456   5.432   4.959
  549    HA   TRP  77           HA       TRP  77  64.295   7.211   5.601
  550   1HB   TRP  77          2HB       TRP  77  65.723   7.427   3.633
  551   2HB   TRP  77          1HB       TRP  77  65.189   5.849   3.042
  552    HD1  TRP  77           HD1      TRP  77  63.368   9.078   4.210
  553    HE1  TRP  77           HE1      TRP  77  61.484   9.570   2.517
  554    HE3  TRP  77           HE3      TRP  77  64.024   5.167   1.006
  555    HZ2  TRP  77           HZ2      TRP  77  60.400   8.450   0.120
  556    HZ3  TRP  77           HZ3      TRP  77  62.554   4.899  -0.975
  557    HH2  TRP  77           HH2      TRP  77  60.744   6.535  -1.421
  558    H    ILE  78           H        ILE  78  64.362   3.895   4.257
  559    HA   ILE  78           HA       ILE  78  61.541   3.591   3.917
  560    HB   ILE  78           HB       ILE  78  63.729   1.588   4.587
  561   1HG1  ILE  78          2HG1      ILE  78  62.585   2.242   1.863
  562   2HG1  ILE  78          1HG1      ILE  78  63.976   3.107   2.516
  563   1HG2  ILE  78          1HG2      ILE  78  62.061   0.119   3.175
  564   2HG2  ILE  78          2HG2      ILE  78  60.871   1.310   3.698
  565   3HG2  ILE  78          3HG2      ILE  78  61.761   0.370   4.895
  566   1HD1  ILE  78          1HD1      ILE  78  64.399   0.304   2.907
  567   2HD1  ILE  78          2HD1      ILE  78  65.325   1.419   1.903
  568   3HD1  ILE  78          3HD1      ILE  78  63.938   0.566   1.226
  569    H    LEU  79           H        LEU  79  63.671   2.733   6.658
  570    HA   LEU  79           HA       LEU  79  61.483   1.830   8.346
  571   1HB   LEU  79          2HB       LEU  79  64.417   2.404   8.571
  572   2HB   LEU  79          1HB       LEU  79  63.485   2.226  10.058
  573    HG   LEU  79           HG       LEU  79  62.609   0.116   8.457
  574   1HD1  LEU  79          1HD1      LEU  79  65.410  -0.533   8.408
  575   2HD1  LEU  79          2HD1      LEU  79  65.149   0.957   7.501
  576   3HD1  LEU  79          3HD1      LEU  79  64.265  -0.507   7.066
  577   1HD2  LEU  79          1HD2      LEU  79  62.932  -0.079  10.832
  578   2HD2  LEU  79          2HD2      LEU  79  64.651   0.290  10.690
  579   3HD2  LEU  79          3HD2      LEU  79  64.024  -1.242  10.079
  580    H    SER  80           H        SER  80  62.667   4.905   7.430
  581    HA   SER  80           HA       SER  80  61.830   6.273   9.913
  582   1HB   SER  80          2HB       SER  80  63.295   6.868   7.398
  583   2HB   SER  80          1HB       SER  80  62.421   8.218   8.111
  584    HG   SER  80           HG       SER  80  64.367   6.556   9.344
  585    H    GLN  81           H        GLN  81  60.520   5.423   6.803
  586    HA   GLN  81           HA       GLN  81  58.681   7.350   6.118
  587   1HB   GLN  81          2HB       GLN  81  58.928   4.461   5.986
  588   2HB   GLN  81          1HB       GLN  81  57.234   4.936   6.116
  589   1HG   GLN  81          2HG       GLN  81  58.144   4.815   3.744
  590   2HG   GLN  81          1HG       GLN  81  57.389   6.347   4.184
  591   1HE2  GLN  81          1HE2      GLN  81  58.761   8.227   4.404
  592   2HE2  GLN  81          2HE2      GLN  81  60.402   8.210   3.934
  593    H    LYS  82           H        LYS  82  58.603   5.350   9.016
  594    HA   LYS  82           HA       LYS  82  57.283   5.571  10.969
  595   1HB   LYS  82          2HB       LYS  82  57.541   8.100   9.749
  596   2HB   LYS  82          1HB       LYS  82  55.833   7.951  10.164
  597   1HG   LYS  82          2HG       LYS  82  56.722   7.078  12.460
  598   2HG   LYS  82          1HG       LYS  82  58.230   7.856  11.982
  599   1HD   LYS  82          2HD       LYS  82  56.576   9.870  11.405
  600   2HD   LYS  82          1HD       LYS  82  55.591   9.085  12.639
  601   1HE   LYS  82          2HE       LYS  82  57.819   9.047  14.030
  602   2HE   LYS  82          1HE       LYS  82  58.311  10.341  12.919
  603   1HZ   LYS  82          1HZ       LYS  82  56.134  10.304  14.872
  604   2HZ   LYS  82          2HZ       LYS  82  55.862  11.134  13.416
  605   3HZ   LYS  82          3HZ       LYS  82  57.158  11.579  14.420
  606    HHA  HEM  83           HHA      HEM  83  62.997  -5.054  -1.280
  607    HHB  HEM  83           HHB      HEM  83  65.418   0.817  -0.322
  608    HHC  HEM  83           HHC      HEM  83  64.792   1.782  -6.558
  609    HHD  HEM  83           HHD      HEM  83  61.178  -3.354  -7.003
  610   1HMA  HEM  83          1HMA      HEM  83  65.114  -1.468   2.245
  611   2HMA  HEM  83          2HMA      HEM  83  66.226  -0.511   1.266
  612   3HMA  HEM  83          3HMA      HEM  83  66.606  -2.191   1.646
  613   1HAA  HEM  83          1HAA      HEM  83  64.371  -4.949   1.050
  614   2HAA  HEM  83          2HAA      HEM  83  66.012  -4.313   1.132
  615   1HBA  HEM  83          1HBA      HEM  83  65.925  -4.942  -1.493
  616   2HBA  HEM  83          2HBA      HEM  83  64.778  -6.133  -0.881
  617    H2A  HEM  83          3HBB      HEM  83  68.197   3.989  -5.062
  618   1HMB  HEM  83          1HMB      HEM  83  65.745   4.019  -1.772
  619   2HMB  HEM  83          2HMB      HEM  83  67.314   3.231  -1.946
  620   3HMB  HEM  83          3HMB      HEM  83  66.179   2.676  -0.716
  621    HAB  HEM  83           HAB      HEM  83  65.634   3.279  -5.923
  622   1HBB  HEM  83          1HBB      HEM  83  67.779   2.804  -6.298
  623   2HBB  HEM  83          2HBB      HEM  83  68.011   2.291  -4.626
  624   1HMC  HEM  83          1HMC      HEM  83  63.718   1.847  -8.560
  625   2HMC  HEM  83          2HMC      HEM  83  63.072   0.700  -9.734
  626   3HMC  HEM  83          3HMC      HEM  83  64.753   0.580  -9.216
  627    HAC  HEM  83           HAC      HEM  83  61.117  -2.523  -8.712
  628   1HBC  HEM  83          1HBC      HEM  83  61.902  -1.143 -11.049
  629   2HBC  HEM  83          2HBC      HEM  83  62.281  -2.802 -10.593
  630   1HMD  HEM  83          1HMD      HEM  83  60.712  -6.130  -6.356
  631   2HMD  HEM  83          2HMD      HEM  83  59.563  -4.823  -6.070
  632   3HMD  HEM  83          3HMD      HEM  83  59.623  -6.201  -4.972
  633   1HAD  HEM  83          1HAD      HEM  83  60.521  -6.943  -3.180
  634   2HAD  HEM  83          2HAD      HEM  83  61.493  -6.423  -1.807
  635   1HBD  HEM  83          1HBD      HEM  83  63.339  -7.578  -2.511
  636   2HBD  HEM  83          2HBD      HEM  83  62.996  -7.291  -4.218
  637    H2D  HEM  83          3HBC      HEM  83  63.375  -1.494 -10.146
  Start of MODEL    7
    1   1H    GLU   1          1H        GLU   1  69.664  18.747   2.512
    2   2H    GLU   1          2H        GLU   1  68.200  18.675   1.653
    3   3H    GLU   1          3H        GLU   1  69.600  19.272   0.901
    4    HA   GLU   1           HA       GLU   1  69.366  17.095   0.065
    5   1HB   GLU   1          2HB       GLU   1  71.590  17.914   0.992
    6   2HB   GLU   1          1HB       GLU   1  71.243  16.970   2.442
    7   1HG   GLU   1          2HG       GLU   1  71.372  14.925   1.301
    8   2HG   GLU   1          1HG       GLU   1  71.094  15.676  -0.271
    9    H    ASP   2           H        ASP   2  67.087  16.612   0.994
   10    HA   ASP   2           HA       ASP   2  66.992  15.030   3.461
   11   1HB   ASP   2          2HB       ASP   2  65.196  16.336   1.565
   12   2HB   ASP   2          1HB       ASP   2  64.600  14.747   2.048
   13    HA   PRO   3           HA       PRO   3  67.685  11.038   1.748
   14   1HB   PRO   3          2HB       PRO   3  65.467   9.831   3.126
   15   2HB   PRO   3          1HB       PRO   3  67.174   9.791   3.573
   16   1HG   PRO   3          2HG       PRO   3  65.052  11.250   4.849
   17   2HG   PRO   3          1HG       PRO   3  66.760  11.192   5.301
   18   1HD   PRO   3          2HD       PRO   3  65.324  13.391   4.118
   19   2HD   PRO   3          1HD       PRO   3  67.054  13.319   4.538
   20    H    GLU   4           H        GLU   4  64.310  12.146   1.879
   21    HA   GLU   4           HA       GLU   4  63.121  10.407   0.009
   22   1HB   GLU   4          2HB       GLU   4  62.141  12.296   1.460
   23   2HB   GLU   4          1HB       GLU   4  62.630  13.391   0.167
   24   1HG   GLU   4          2HG       GLU   4  61.364  11.417  -1.250
   25   2HG   GLU   4          1HG       GLU   4  60.419  11.440   0.239
   26    H    VAL   5           H        VAL   5  64.952  13.417  -0.567
   27    HA   VAL   5           HA       VAL   5  64.672  13.602  -3.367
   28    HB   VAL   5           HB       VAL   5  67.032  14.198  -1.550
   29   1HG1  VAL   5          1HG1      VAL   5  66.497  14.716  -4.440
   30   2HG1  VAL   5          2HG1      VAL   5  68.030  14.432  -3.616
   31   3HG1  VAL   5          3HG1      VAL   5  67.253  16.011  -3.512
   32   1HG2  VAL   5          1HG2      VAL   5  64.659  15.251  -1.191
   33   2HG2  VAL   5          2HG2      VAL   5  65.048  16.188  -2.634
   34   3HG2  VAL   5          3HG2      VAL   5  66.068  16.311  -1.200
   35    H    LEU   6           H        LEU   6  66.871  11.621  -1.416
   36    HA   LEU   6           HA       LEU   6  68.474  10.596  -3.566
   37   1HB   LEU   6          2HB       LEU   6  67.678   9.347  -0.913
   38   2HB   LEU   6          1HB       LEU   6  69.082   8.903  -1.883
   39    HG   LEU   6           HG       LEU   6  68.613  11.669  -0.736
   40   1HD1  LEU   6          1HD1      LEU   6  70.875  10.261   0.359
   41   2HD1  LEU   6          2HD1      LEU   6  69.418   9.294   0.584
   42   3HD1  LEU   6          3HD1      LEU   6  69.486  10.942   1.206
   43   1HD2  LEU   6          1HD2      LEU   6  71.040  11.924  -1.315
   44   2HD2  LEU   6          2HD2      LEU   6  70.020  11.674  -2.731
   45   3HD2  LEU   6          3HD2      LEU   6  70.982  10.343  -2.093
   46    H    ALA   7           H        ALA   7  65.425   9.548  -2.110
   47    HA   ALA   7           HA       ALA   7  65.220   7.036  -3.504
   48   1HB   ALA   7          1HB       ALA   7  62.661   7.770  -2.903
   49   2HB   ALA   7          2HB       ALA   7  63.567   8.841  -1.835
   50   3HB   ALA   7          3HB       ALA   7  63.783   7.094  -1.723
   51    H    LYS   8           H        LYS   8  64.541  10.343  -4.427
   52    HA   LYS   8           HA       LYS   8  62.844   9.539  -6.710
   53   1HB   LYS   8          2HB       LYS   8  63.286  11.830  -5.100
   54   2HB   LYS   8          1HB       LYS   8  63.767  12.277  -6.737
   55   1HG   LYS   8          2HG       LYS   8  61.608  11.475  -7.605
   56   2HG   LYS   8          1HG       LYS   8  61.123  10.999  -5.977
   57   1HD   LYS   8          2HD       LYS   8  61.738  13.531  -5.435
   58   2HD   LYS   8          1HD       LYS   8  61.388  13.736  -7.152
   59   1HE   LYS   8          2HE       LYS   8  59.144  13.318  -6.878
   60   2HE   LYS   8          1HE       LYS   8  59.425  12.119  -5.601
   61   1HZ   LYS   8          1HZ       LYS   8  58.488  14.188  -4.711
   62   2HZ   LYS   8          2HZ       LYS   8  59.826  15.049  -5.308
   63   3HZ   LYS   8          3HZ       LYS   8  60.037  13.882  -4.092
   64    H    ASN   9           H        ASN   9  66.158  10.655  -6.110
   65    HA   ASN   9           HA       ASN   9  66.867  11.048  -8.888
   66   1HB   ASN   9          2HB       ASN   9  68.752  10.323  -6.644
   67   2HB   ASN   9          1HB       ASN   9  69.034  11.415  -7.999
   68   1HD2  ASN   9          1HD2      ASN   9  66.202  12.559  -7.549
   69   2HD2  ASN   9          2HD2      ASN   9  66.390  13.604  -6.217
   70    H    LYS  10           H        LYS  10  67.088   8.291  -6.657
   71    HA   LYS  10           HA       LYS  10  68.490   6.643  -8.671
   72   1HB   LYS  10          2HB       LYS  10  67.717   6.514  -5.792
   73   2HB   LYS  10          1HB       LYS  10  67.965   4.980  -6.632
   74   1HG   LYS  10          2HG       LYS  10  70.143   5.358  -6.020
   75   2HG   LYS  10          1HG       LYS  10  70.142   6.306  -7.507
   76   1HD   LYS  10          2HD       LYS  10  71.032   7.804  -5.929
   77   2HD   LYS  10          1HD       LYS  10  69.329   8.259  -5.991
   78   1HE   LYS  10          2HE       LYS  10  69.070   7.752  -3.802
   79   2HE   LYS  10          1HE       LYS  10  69.726   6.125  -4.066
   80   1HZ   LYS  10          1HZ       LYS  10  71.859   6.812  -3.678
   81   2HZ   LYS  10          2HZ       LYS  10  71.034   7.861  -2.629
   82   3HZ   LYS  10          3HZ       LYS  10  71.559   8.414  -4.147
   83    H    GLY  11           H        GLY  11  65.252   7.360  -7.787
   84   1HA   GLY  11          2HA       GLY  11  63.321   6.572  -8.967
   85   2HA   GLY  11          1HA       GLY  11  64.282   5.232  -9.596
   86    H    CYS  12           H        CYS  12  64.607   5.838  -6.230
   87    HA   CYS  12           HA       CYS  12  63.716   3.236  -5.454
   88   1HB   CYS  12          2HB       CYS  12  63.884   5.769  -3.798
   89   2HB   CYS  12          1HB       CYS  12  64.043   4.114  -3.212
   90    H    MET  13           H        MET  13  61.963   6.220  -5.963
   91    HA   MET  13           HA       MET  13  59.611   5.337  -4.412
   92   1HB   MET  13          2HB       MET  13  60.204   7.751  -6.157
   93   2HB   MET  13          1HB       MET  13  58.783   7.569  -5.126
   94   1HG   MET  13          2HG       MET  13  60.762   7.034  -3.336
   95   2HG   MET  13          1HG       MET  13  61.582   8.189  -4.388
   96   1HE   MET  13          1HE       MET  13  57.852   8.415  -1.969
   97   2HE   MET  13          2HE       MET  13  58.299   7.253  -3.215
   98   3HE   MET  13          3HE       MET  13  57.395   8.700  -3.653
   99    H    ALA  14           H        ALA  14  60.750   4.355  -7.294
  100    HA   ALA  14           HA       ALA  14  58.332   4.700  -8.928
  101   1HB   ALA  14          1HB       ALA  14  60.324   4.757 -10.155
  102   2HB   ALA  14          2HB       ALA  14  59.805   3.089 -10.389
  103   3HB   ALA  14          3HB       ALA  14  61.056   3.465  -9.203
  104    H    CYS  15           H        CYS  15  60.112   1.930  -7.541
  105    HA   CYS  15           HA       CYS  15  57.797   0.152  -8.044
  106   1HB   CYS  15          2HB       CYS  15  60.573  -0.265  -6.894
  107   2HB   CYS  15          1HB       CYS  15  59.436  -1.557  -7.265
  108    H    HIS  16           H        HIS  16  59.157   2.011  -5.437
  109    HA   HIS  16           HA       HIS  16  57.792   0.287  -3.417
  110   1HB   HIS  16          2HB       HIS  16  60.047   2.240  -3.491
  111   2HB   HIS  16          1HB       HIS  16  59.163   2.074  -1.973
  112    HD1  HIS  16           HD1      HIS  16  58.621  -0.817  -1.691
  113    HD2  HIS  16           HD2      HIS  16  62.217   0.547  -3.311
  114    HE1  HIS  16           HE1      HIS  16  60.291  -2.701  -1.414
  115    H    ALA  17           H        ALA  17  56.561   1.320  -1.718
  116    HA   ALA  17           HA       ALA  17  55.466   4.032  -2.291
  117   1HB   ALA  17          1HB       ALA  17  53.422   3.208  -2.835
  118   2HB   ALA  17          2HB       ALA  17  53.431   2.111  -1.455
  119   3HB   ALA  17          3HB       ALA  17  54.193   1.627  -2.970
  120    H    ILE  18           H        ILE  18  55.480   5.147  -0.372
  121    HA   ILE  18           HA       ILE  18  56.497   4.413   2.057
  122    HB   ILE  18           HB       ILE  18  53.994   6.086   1.649
  123   1HG1  ILE  18          2HG1      ILE  18  56.364   7.659   1.728
  124   2HG1  ILE  18          1HG1      ILE  18  56.638   6.368   0.556
  125   1HG2  ILE  18          1HG2      ILE  18  55.507   7.371   3.500
  126   2HG2  ILE  18          2HG2      ILE  18  55.935   5.698   3.858
  127   3HG2  ILE  18          3HG2      ILE  18  54.248   6.209   3.916
  128   1HD1  ILE  18          1HD1      ILE  18  55.367   7.486  -0.924
  129   2HD1  ILE  18          2HD1      ILE  18  54.997   8.718   0.283
  130   3HD1  ILE  18          3HD1      ILE  18  53.985   7.280   0.151
  131    H    ASP  19           H        ASP  19  53.340   3.437   0.832
  132    HA   ASP  19           HA       ASP  19  53.086   1.581   3.141
  133   1HB   ASP  19          2HB       ASP  19  51.115   3.770   2.415
  134   2HB   ASP  19          1HB       ASP  19  50.764   2.468   3.551
  135    H    THR  20           H        THR  20  51.735   2.789   0.083
  136    HA   THR  20           HA       THR  20  49.988   0.535  -0.381
  137    HB   THR  20           HB       THR  20  50.358   1.512  -2.825
  138    HG1  THR  20           HG1      THR  20  51.070   3.710  -2.601
  139   1HG2  THR  20          1HG2      THR  20  48.996   3.619  -1.901
  140   2HG2  THR  20          2HG2      THR  20  48.952   2.628  -0.443
  141   3HG2  THR  20          3HG2      THR  20  48.284   2.005  -1.951
  142    H    LYS  21           H        LYS  21  50.380  -1.041  -2.222
  143    HA   LYS  21           HA       LYS  21  53.240  -1.896  -2.226
  144   1HB   LYS  21          2HB       LYS  21  50.644  -3.206  -1.832
  145   2HB   LYS  21          1HB       LYS  21  51.688  -4.064  -2.967
  146   1HG   LYS  21          2HG       LYS  21  53.375  -4.390  -1.369
  147   2HG   LYS  21          1HG       LYS  21  52.791  -3.077  -0.345
  148   1HD   LYS  21          2HD       LYS  21  50.672  -4.968  -0.618
  149   2HD   LYS  21          1HD       LYS  21  52.135  -5.858  -0.198
  150   1HE   LYS  21          2HE       LYS  21  52.095  -3.492   1.403
  151   2HE   LYS  21          1HE       LYS  21  50.503  -4.266   1.533
  152   1HZ   LYS  21          1HZ       LYS  21  51.442  -6.282   2.168
  153   2HZ   LYS  21          2HZ       LYS  21  52.364  -5.145   3.030
  154   3HZ   LYS  21          3HZ       LYS  21  52.991  -5.858   1.621
  155    H    MET  22           H        MET  22  53.905  -0.828  -4.151
  156    HA   MET  22           HA       MET  22  52.340  -1.127  -6.629
  157   1HB   MET  22          2HB       MET  22  54.767   0.303  -5.640
  158   2HB   MET  22          1HB       MET  22  54.678  -0.009  -7.375
  159   1HG   MET  22          2HG       MET  22  53.367   1.829  -7.515
  160   2HG   MET  22          1HG       MET  22  52.114   0.877  -6.720
  161   1HE   MET  22          1HE       MET  22  54.867   4.070  -4.992
  162   2HE   MET  22          2HE       MET  22  54.648   3.562  -6.665
  163   3HE   MET  22          3HE       MET  22  55.571   2.549  -5.559
  164    H    VAL  23           H        VAL  23  55.828  -1.495  -6.548
  165    HA   VAL  23           HA       VAL  23  55.530  -4.151  -7.858
  166    HB   VAL  23           HB       VAL  23  57.731  -2.071  -7.780
  167   1HG1  VAL  23          1HG1      VAL  23  57.739  -4.912  -8.568
  168   2HG1  VAL  23          2HG1      VAL  23  59.091  -3.849  -8.182
  169   3HG1  VAL  23          3HG1      VAL  23  58.379  -3.818  -9.795
  170   1HG2  VAL  23          1HG2      VAL  23  57.115  -2.325 -10.368
  171   2HG2  VAL  23          2HG2      VAL  23  56.204  -1.245  -9.309
  172   3HG2  VAL  23          3HG2      VAL  23  55.568  -2.845  -9.696
  173    H    GLY  24           H        GLY  24  56.908  -2.488  -5.099
  174   1HA   GLY  24          2HA       GLY  24  57.910  -5.120  -4.085
  175   2HA   GLY  24          1HA       GLY  24  58.783  -3.610  -3.786
  176    HA   PRO  25           HA       PRO  25  55.617  -4.503  -0.399
  177   1HB   PRO  25          2HB       PRO  25  57.792  -4.474   1.483
  178   2HB   PRO  25          1HB       PRO  25  56.753  -5.833   1.046
  179   1HG   PRO  25          2HG       PRO  25  59.503  -5.514   0.413
  180   2HG   PRO  25          1HG       PRO  25  58.417  -6.785  -0.159
  181   1HD   PRO  25          2HD       PRO  25  59.494  -4.498  -1.636
  182   2HD   PRO  25          1HD       PRO  25  58.603  -5.909  -2.260
  183    H    ALA  26           H        ALA  26  54.758  -2.698   0.649
  184    HA   ALA  26           HA       ALA  26  55.558  -0.075   0.229
  185   1HB   ALA  26          1HB       ALA  26  54.149   0.436   2.145
  186   2HB   ALA  26          2HB       ALA  26  54.378  -1.187   2.795
  187   3HB   ALA  26          3HB       ALA  26  53.456  -0.953   1.310
  188    H    TYR  27           H        TYR  27  56.615   1.486   1.774
  189    HA   TYR  27           HA       TYR  27  59.148   0.424   2.747
  190   1HB   TYR  27          2HB       TYR  27  57.759   3.074   2.490
  191   2HB   TYR  27          1HB       TYR  27  59.200   2.971   3.494
  192    HD1  TYR  27           HD1      TYR  27  60.673   0.808   1.896
  193    HD2  TYR  27           HD2      TYR  27  58.597   4.371   0.681
  194    HE1  TYR  27           HE1      TYR  27  62.077   0.937  -0.139
  195    HE2  TYR  27           HE2      TYR  27  60.007   4.498  -1.351
  196    HH   TYR  27           HH       TYR  27  61.971   3.715  -2.277
  197    H    LYS  28           H        LYS  28  56.280   1.942   4.265
  198    HA   LYS  28           HA       LYS  28  57.144   1.841   6.962
  199   1HB   LYS  28          2HB       LYS  28  54.893   2.574   5.532
  200   2HB   LYS  28          1HB       LYS  28  54.312   1.209   6.483
  201   1HG   LYS  28          2HG       LYS  28  55.990   2.983   8.071
  202   2HG   LYS  28          1HG       LYS  28  54.607   3.835   7.383
  203   1HD   LYS  28          2HD       LYS  28  53.420   2.975   9.106
  204   2HD   LYS  28          1HD       LYS  28  53.496   1.446   8.232
  205   1HE   LYS  28          2HE       LYS  28  55.908   1.357   9.455
  206   2HE   LYS  28          1HE       LYS  28  55.004   2.309  10.647
  207   1HZ   LYS  28          1HZ       LYS  28  54.378   0.206  11.251
  208   2HZ   LYS  28          2HZ       LYS  28  54.492  -0.412   9.671
  209   3HZ   LYS  28          3HZ       LYS  28  53.164   0.548  10.117
  210    H    ASP  29           H        ASP  29  55.133  -0.528   5.195
  211    HA   ASP  29           HA       ASP  29  54.929  -2.529   7.153
  212   1HB   ASP  29          2HB       ASP  29  54.998  -2.392   4.171
  213   2HB   ASP  29          1HB       ASP  29  55.097  -3.993   4.906
  214    H    VAL  30           H        VAL  30  57.650  -1.851   4.963
  215    HA   VAL  30           HA       VAL  30  59.198  -4.184   5.492
  216    HB   VAL  30           HB       VAL  30  59.967  -1.331   4.816
  217   1HG1  VAL  30          1HG1      VAL  30  61.610  -3.552   5.524
  218   2HG1  VAL  30          2HG1      VAL  30  62.119  -1.979   4.912
  219   3HG1  VAL  30          3HG1      VAL  30  61.780  -3.295   3.788
  220   1HG2  VAL  30          1HG2      VAL  30  58.447  -3.048   3.352
  221   2HG2  VAL  30          2HG2      VAL  30  60.060  -3.519   2.816
  222   3HG2  VAL  30          3HG2      VAL  30  59.522  -1.850   2.633
  223    H    ALA  31           H        ALA  31  59.178  -1.008   7.109
  224    HA   ALA  31           HA       ALA  31  61.242  -1.707   9.024
  225   1HB   ALA  31          1HB       ALA  31  59.079   0.402   9.252
  226   2HB   ALA  31          2HB       ALA  31  60.487   0.588   8.206
  227   3HB   ALA  31          3HB       ALA  31  60.698   0.444   9.950
  228    H    ALA  32           H        ALA  32  57.777  -2.175   8.881
  229    HA   ALA  32           HA       ALA  32  57.407  -2.576  11.742
  230   1HB   ALA  32          1HB       ALA  32  55.876  -2.507   9.271
  231   2HB   ALA  32          2HB       ALA  32  55.335  -2.191  10.919
  232   3HB   ALA  32          3HB       ALA  32  55.355  -3.843  10.299
  233    H    LYS  33           H        LYS  33  58.411  -4.571   9.052
  234    HA   LYS  33           HA       LYS  33  57.904  -7.084  10.513
  235   1HB   LYS  33          2HB       LYS  33  57.470  -7.043   8.147
  236   2HB   LYS  33          1HB       LYS  33  59.062  -6.354   7.810
  237   1HG   LYS  33          2HG       LYS  33  59.151  -8.721   7.303
  238   2HG   LYS  33          1HG       LYS  33  60.087  -8.445   8.772
  239   1HD   LYS  33          2HD       LYS  33  58.451  -9.395  10.152
  240   2HD   LYS  33          1HD       LYS  33  57.169  -9.152   8.965
  241   1HE   LYS  33          2HE       LYS  33  59.489 -11.013   8.404
  242   2HE   LYS  33          1HE       LYS  33  58.025 -11.571   9.236
  243   1HZ   LYS  33          1HZ       LYS  33  56.863 -10.269   7.315
  244   2HZ   LYS  33          2HZ       LYS  33  57.409 -11.857   7.059
  245   3HZ   LYS  33          3HZ       LYS  33  58.326 -10.540   6.501
  246    H    TYR  34           H        TYR  34  60.712  -5.171   9.376
  247    HA   TYR  34           HA       TYR  34  62.607  -7.034  10.655
  248   1HB   TYR  34          2HB       TYR  34  62.695  -4.544   8.982
  249   2HB   TYR  34          1HB       TYR  34  64.140  -5.007   9.886
  250    HD1  TYR  34           HD1      TYR  34  62.632  -5.305   6.784
  251    HD2  TYR  34           HD2      TYR  34  64.536  -7.724   9.780
  252    HE1  TYR  34           HE1      TYR  34  63.171  -7.010   5.065
  253    HE2  TYR  34           HE2      TYR  34  65.073  -9.430   8.062
  254    HH   TYR  34           HH       TYR  34  64.000  -9.038   4.687
  255    H    ALA  35           H        ALA  35  60.561  -4.776  11.887
  256    HA   ALA  35           HA       ALA  35  62.122  -3.060  13.521
  257   1HB   ALA  35          1HB       ALA  35  60.071  -2.681  14.615
  258   2HB   ALA  35          2HB       ALA  35  59.558  -4.358  14.428
  259   3HB   ALA  35          3HB       ALA  35  59.558  -3.276  13.036
  260    H    GLY  36           H        GLY  36  63.918  -4.166  14.463
  261   1HA   GLY  36          2HA       GLY  36  63.925  -5.103  16.989
  262   2HA   GLY  36          1HA       GLY  36  63.397  -6.549  16.128
  263    H    GLN  37           H        GLN  37  64.975  -6.171  13.762
  264    HA   GLN  37           HA       GLN  37  67.351  -7.517  14.358
  265   1HB   GLN  37          2HB       GLN  37  66.549  -5.576  12.183
  266   2HB   GLN  37          1HB       GLN  37  68.110  -6.394  12.152
  267   1HG   GLN  37          2HG       GLN  37  66.083  -8.332  12.741
  268   2HG   GLN  37          1HG       GLN  37  65.591  -7.417  11.314
  269   1HE2  GLN  37          1HE2      GLN  37  67.845  -9.798  12.514
  270   2HE2  GLN  37          2HE2      GLN  37  68.698 -10.016  11.053
  271    H    ALA  38           H        ALA  38  69.381  -6.903  15.074
  272    HA   ALA  38           HA       ALA  38  69.687  -4.185  16.170
  273   1HB   ALA  38          1HB       ALA  38  71.556  -5.174  17.319
  274   2HB   ALA  38          2HB       ALA  38  71.619  -6.518  16.180
  275   3HB   ALA  38          3HB       ALA  38  70.276  -6.387  17.316
  276    H    GLY  39           H        GLY  39  69.595  -3.984  13.416
  277   1HA   GLY  39          2HA       GLY  39  71.526  -2.414  12.494
  278   2HA   GLY  39          1HA       GLY  39  72.401  -3.946  12.451
  279    H    ALA  40           H        ALA  40  68.972  -3.335  11.722
  280    HA   ALA  40           HA       ALA  40  69.131  -4.937   9.296
  281   1HB   ALA  40          1HB       ALA  40  67.195  -4.019  11.105
  282   2HB   ALA  40          2HB       ALA  40  66.894  -4.982   9.658
  283   3HB   ALA  40          3HB       ALA  40  66.792  -3.223   9.584
  284    H    GLU  41           H        GLU  41  69.592  -1.585  10.039
  285    HA   GLU  41           HA       GLU  41  68.929  -0.544   7.401
  286   1HB   GLU  41          2HB       GLU  41  69.549   0.410   9.979
  287   2HB   GLU  41          1HB       GLU  41  70.847   1.006   8.943
  288   1HG   GLU  41          2HG       GLU  41  68.636   1.444   7.377
  289   2HG   GLU  41          1HG       GLU  41  67.997   1.749   8.992
  290    H    ALA  42           H        ALA  42  71.881  -1.659   9.039
  291    HA   ALA  42           HA       ALA  42  73.741  -0.858   6.993
  292   1HB   ALA  42          1HB       ALA  42  73.994  -3.252   8.823
  293   2HB   ALA  42          2HB       ALA  42  74.086  -1.606   9.449
  294   3HB   ALA  42          3HB       ALA  42  75.267  -2.167   8.265
  295    H    TYR  43           H        TYR  43  72.224  -4.042   7.703
  296    HA   TYR  43           HA       TYR  43  73.248  -5.322   5.329
  297   1HB   TYR  43          2HB       TYR  43  72.535  -6.722   7.096
  298   2HB   TYR  43          1HB       TYR  43  71.057  -5.793   7.352
  299    HD1  TYR  43           HD1      TYR  43  69.276  -5.835   5.490
  300    HD2  TYR  43           HD2      TYR  43  72.521  -8.639   5.726
  301    HE1  TYR  43           HE1      TYR  43  68.031  -7.397   4.022
  302    HE2  TYR  43           HE2      TYR  43  71.276 -10.201   4.253
  303    HH   TYR  43           HH       TYR  43  68.314  -9.247   2.650
  304    H    LEU  44           H        LEU  44  70.391  -3.393   6.041
  305    HA   LEU  44           HA       LEU  44  68.942  -3.930   3.609
  306   1HB   LEU  44          2HB       LEU  44  69.034  -1.857   5.774
  307   2HB   LEU  44          1HB       LEU  44  68.161  -1.453   4.293
  308    HG   LEU  44           HG       LEU  44  67.696  -3.989   5.888
  309   1HD1  LEU  44          1HD1      LEU  44  65.439  -2.639   6.274
  310   2HD1  LEU  44          2HD1      LEU  44  66.501  -1.249   6.057
  311   3HD1  LEU  44          3HD1      LEU  44  66.822  -2.412   7.344
  312   1HD2  LEU  44          1HD2      LEU  44  67.124  -3.524   3.282
  313   2HD2  LEU  44          2HD2      LEU  44  65.684  -2.833   4.028
  314   3HD2  LEU  44          3HD2      LEU  44  66.106  -4.519   4.323
  315    H    ALA  45           H        ALA  45  71.606  -1.835   4.509
  316    HA   ALA  45           HA       ALA  45  71.613  -0.187   2.138
  317   1HB   ALA  45          1HB       ALA  45  73.711   0.561   3.031
  318   2HB   ALA  45          2HB       ALA  45  73.945  -0.949   3.911
  319   3HB   ALA  45          3HB       ALA  45  72.701   0.189   4.428
  320    H    GLN  46           H        GLN  46  73.085  -3.299   3.021
  321    HA   GLN  46           HA       GLN  46  74.782  -3.455   0.669
  322   1HB   GLN  46          2HB       GLN  46  73.726  -5.353   2.763
  323   2HB   GLN  46          1HB       GLN  46  74.696  -5.953   1.416
  324   1HG   GLN  46          2HG       GLN  46  76.255  -3.897   2.156
  325   2HG   GLN  46          1HG       GLN  46  75.497  -4.232   3.713
  326   1HE2  GLN  46          1HE2      GLN  46  78.128  -4.773   3.773
  327   2HE2  GLN  46          2HE2      GLN  46  78.447  -6.442   3.623
  328    H    ARG  47           H        ARG  47  71.572  -4.814   1.473
  329    HA   ARG  47           HA       ARG  47  71.262  -6.128  -1.101
  330   1HB   ARG  47          2HB       ARG  47  69.297  -5.300   1.062
  331   2HB   ARG  47          1HB       ARG  47  68.929  -6.405  -0.261
  332   1HG   ARG  47          2HG       ARG  47  71.064  -6.827   1.851
  333   2HG   ARG  47          1HG       ARG  47  69.512  -7.663   1.771
  334   1HD   ARG  47          2HD       ARG  47  70.299  -8.293  -0.670
  335   2HD   ARG  47          1HD       ARG  47  71.914  -7.967  -0.009
  336    HE   ARG  47           HE       ARG  47  70.489  -9.541   1.886
  337   1HH1  ARG  47          1HH1      ARG  47  71.839  -9.711  -1.289
  338   2HH1  ARG  47          2HH1      ARG  47  72.164 -11.409  -1.199
  339   1HH2  ARG  47          1HH2      ARG  47  70.897 -11.758   2.008
  340   2HH2  ARG  47          2HH2      ARG  47  71.629 -12.568   0.664
  341    H    ILE  48           H        ILE  48  70.769  -2.884   0.061
  342    HA   ILE  48           HA       ILE  48  68.846  -2.141  -2.017
  343    HB   ILE  48           HB       ILE  48  70.491  -0.695   0.068
  344   1HG1  ILE  48          2HG1      ILE  48  67.489  -0.829  -0.254
  345   2HG1  ILE  48          1HG1      ILE  48  68.382  -2.092   0.591
  346   1HG2  ILE  48          1HG2      ILE  48  68.469   1.006  -0.994
  347   2HG2  ILE  48          2HG2      ILE  48  69.411   0.400  -2.357
  348   3HG2  ILE  48          3HG2      ILE  48  70.216   1.246  -1.035
  349   1HD1  ILE  48          1HD1      ILE  48  69.440   0.164   1.725
  350   2HD1  ILE  48          2HD1      ILE  48  68.108  -0.761   2.415
  351   3HD1  ILE  48          3HD1      ILE  48  67.775   0.669   1.438
  352    H    LYS  49           H        LYS  49  72.375  -2.004  -1.594
  353    HA   LYS  49           HA       LYS  49  72.693  -0.378  -4.041
  354   1HB   LYS  49          2HB       LYS  49  74.152  -0.005  -2.121
  355   2HB   LYS  49          1HB       LYS  49  74.622  -1.706  -2.109
  356   1HG   LYS  49          2HG       LYS  49  75.714  -1.485  -4.260
  357   2HG   LYS  49          1HG       LYS  49  75.103   0.159  -4.450
  358   1HD   LYS  49          2HD       LYS  49  76.357   0.441  -2.082
  359   2HD   LYS  49          1HD       LYS  49  77.344  -0.847  -2.774
  360   1HE   LYS  49          2HE       LYS  49  77.858   0.490  -4.723
  361   2HE   LYS  49          1HE       LYS  49  76.698   1.739  -4.228
  362   1HZ   LYS  49          1HZ       LYS  49  77.971   1.926  -2.122
  363   2HZ   LYS  49          2HZ       LYS  49  78.850   2.415  -3.491
  364   3HZ   LYS  49          3HZ       LYS  49  79.151   0.901  -2.780
  365    H    ASN  50           H        ASN  50  72.624  -3.713  -3.107
  366    HA   ASN  50           HA       ASN  50  73.760  -4.523  -5.764
  367   1HB   ASN  50          2HB       ASN  50  74.609  -5.203  -3.301
  368   2HB   ASN  50          1HB       ASN  50  73.367  -6.439  -3.509
  369   1HD2  ASN  50          1HD2      ASN  50  75.042  -8.125  -3.694
  370   2HD2  ASN  50          2HD2      ASN  50  75.964  -8.277  -5.120
  371    H    GLY  51           H        GLY  51  70.868  -4.189  -4.054
  372   1HA   GLY  51          2HA       GLY  51  68.697  -5.016  -4.425
  373   2HA   GLY  51          1HA       GLY  51  69.260  -5.392  -6.055
  374    H    SER  52           H        SER  52  67.486  -7.176  -4.662
  375    HA   SER  52           HA       SER  52  68.950  -9.643  -4.954
  376   1HB   SER  52          2HB       SER  52  70.221  -9.299  -3.077
  377   2HB   SER  52          1HB       SER  52  69.022  -8.248  -2.331
  378    HG   SER  52           HG       SER  52  67.933  -9.982  -1.614
  379    H    GLN  53           H        GLN  53  67.741 -11.555  -4.263
  380    HA   GLN  53           HA       GLN  53  64.813 -11.007  -3.968
  381   1HB   GLN  53          2HB       GLN  53  64.547 -12.570  -5.603
  382   2HB   GLN  53          1HB       GLN  53  66.275 -12.403  -5.873
  383   1HG   GLN  53          2HG       GLN  53  64.959 -14.441  -4.051
  384   2HG   GLN  53          1HG       GLN  53  65.671 -14.766  -5.627
  385   1HE2  GLN  53          1HE2      GLN  53  68.089 -14.041  -5.807
  386   2HE2  GLN  53          2HE2      GLN  53  69.065 -14.315  -4.434
  387    H    GLY  54           H        GLY  54  63.819 -13.289  -2.992
  388   1HA   GLY  54          2HA       GLY  54  63.625 -14.658  -1.090
  389   2HA   GLY  54          1HA       GLY  54  65.377 -14.541  -0.907
  390    H    VAL  55           H        VAL  55  63.753 -11.557  -1.172
  391    HA   VAL  55           HA       VAL  55  64.301 -10.976   1.693
  392    HB   VAL  55           HB       VAL  55  63.645  -9.282  -0.742
  393   1HG1  VAL  55          1HG1      VAL  55  64.016  -7.363   0.560
  394   2HG1  VAL  55          2HG1      VAL  55  64.813  -8.275   1.843
  395   3HG1  VAL  55          3HG1      VAL  55  63.065  -8.390   1.633
  396   1HG2  VAL  55          1HG2      VAL  55  65.965  -8.863  -0.906
  397   2HG2  VAL  55          2HG2      VAL  55  65.874 -10.591  -0.567
  398   3HG2  VAL  55          3HG2      VAL  55  66.275  -9.460   0.724
  399    H    TRP  56           H        TRP  56  61.748 -10.142  -0.680
  400    HA   TRP  56           HA       TRP  56  59.731 -10.364   1.523
  401   1HB   TRP  56          2HB       TRP  56  59.981  -8.600  -0.930
  402   2HB   TRP  56          1HB       TRP  56  58.525  -8.674   0.061
  403    HD1  TRP  56           HD1      TRP  56  61.865  -7.065  -0.143
  404    HE1  TRP  56           HE1      TRP  56  62.308  -5.651   1.965
  405    HE3  TRP  56           HE3      TRP  56  58.034  -8.679   2.819
  406    HZ2  TRP  56           HZ2      TRP  56  61.186  -5.258   4.568
  407    HZ3  TRP  56           HZ3      TRP  56  57.746  -7.772   5.109
  408    HH2  TRP  56           HH2      TRP  56  59.314  -6.065   5.984
  409    H    GLY  57           H        GLY  57  60.398 -10.861  -1.927
  410   1HA   GLY  57          2HA       GLY  57  58.749 -13.262  -1.998
  411   2HA   GLY  57          1HA       GLY  57  58.051 -11.918  -2.907
  412    HA   PRO  58           HA       PRO  58  61.055 -14.158  -5.666
  413   1HB   PRO  58          2HB       PRO  58  59.040 -14.014  -7.709
  414   2HB   PRO  58          1HB       PRO  58  59.631 -15.448  -6.867
  415   1HG   PRO  58          2HG       PRO  58  57.066 -14.255  -6.617
  416   2HG   PRO  58          1HG       PRO  58  57.719 -15.587  -5.656
  417   1HD   PRO  58          2HD       PRO  58  57.301 -12.792  -4.875
  418   2HD   PRO  58          1HD       PRO  58  57.698 -14.192  -3.848
  419    H    ILE  59           H        ILE  59  60.012 -11.074  -5.304
  420    HA   ILE  59           HA       ILE  59  60.905 -10.161  -8.009
  421    HB   ILE  59           HB       ILE  59  59.517  -8.568  -5.844
  422   1HG1  ILE  59          2HG1      ILE  59  58.299 -10.312  -8.008
  423   2HG1  ILE  59          1HG1      ILE  59  58.107 -10.503  -6.265
  424   1HG2  ILE  59          1HG2      ILE  59  60.587  -7.395  -7.790
  425   2HG2  ILE  59          2HG2      ILE  59  58.841  -7.159  -7.699
  426   3HG2  ILE  59          3HG2      ILE  59  59.519  -8.299  -8.863
  427   1HD1  ILE  59          1HD1      ILE  59  57.334  -7.900  -6.597
  428   2HD1  ILE  59          2HD1      ILE  59  56.218  -9.265  -6.562
  429   3HD1  ILE  59          3HD1      ILE  59  56.773  -8.618  -8.107
  430    HA   PRO  60           HA       PRO  60  64.442  -9.327  -5.065
  431   1HB   PRO  60          2HB       PRO  60  66.106  -9.496  -7.405
  432   2HB   PRO  60          1HB       PRO  60  66.039 -10.607  -6.041
  433   1HG   PRO  60          2HG       PRO  60  65.039 -11.004  -8.716
  434   2HG   PRO  60          1HG       PRO  60  65.047 -12.151  -7.374
  435   1HD   PRO  60          2HD       PRO  60  62.773 -10.825  -8.491
  436   2HD   PRO  60          1HD       PRO  60  62.814 -11.852  -7.037
  437    H    MET  61           H        MET  61  65.297  -7.251  -4.803
  438    HA   MET  61           HA       MET  61  64.369  -5.122  -6.542
  439   1HB   MET  61          2HB       MET  61  64.708  -4.754  -4.191
  440   2HB   MET  61          1HB       MET  61  66.366  -5.340  -4.276
  441   1HG   MET  61          2HG       MET  61  67.022  -3.458  -5.663
  442   2HG   MET  61          1HG       MET  61  65.353  -2.895  -5.759
  443   1HE   MET  61          1HE       MET  61  67.184  -3.407  -1.599
  444   2HE   MET  61          2HE       MET  61  67.767  -4.252  -3.030
  445   3HE   MET  61          3HE       MET  61  66.125  -4.528  -2.464
  446    HA   PRO  62           HA       PRO  62  67.789  -5.432  -9.414
  447   1HB   PRO  62          2HB       PRO  62  67.257  -2.748 -10.314
  448   2HB   PRO  62          1HB       PRO  62  66.813  -4.262 -11.109
  449   1HG   PRO  62          2HG       PRO  62  65.055  -2.402  -9.873
  450   2HG   PRO  62          1HG       PRO  62  64.639  -3.993 -10.519
  451   1HD   PRO  62          2HD       PRO  62  64.864  -3.156  -7.721
  452   2HD   PRO  62          1HD       PRO  62  64.209  -4.675  -8.383
  453    HA   PRO  63           HA       PRO  63  70.791  -3.364  -6.824
  454   1HB   PRO  63          2HB       PRO  63  72.744  -3.461  -8.933
  455   2HB   PRO  63          1HB       PRO  63  72.621  -4.502  -7.512
  456   1HG   PRO  63          2HG       PRO  63  72.033  -5.166 -10.252
  457   2HG   PRO  63          1HG       PRO  63  71.956  -6.217  -8.834
  458   1HD   PRO  63          2HD       PRO  63  69.755  -5.163 -10.349
  459   2HD   PRO  63          1HD       PRO  63  69.675  -6.152  -8.869
  460    H    ASN  64           H        ASN  64  71.621  -1.218  -6.670
  461    HA   ASN  64           HA       ASN  64  71.104   0.553  -9.041
  462   1HB   ASN  64          2HB       ASN  64  70.748   1.301  -6.130
  463   2HB   ASN  64          1HB       ASN  64  70.124   2.143  -7.551
  464   1HD2  ASN  64          1HD2      ASN  64  69.809  -0.944  -5.740
  465   2HD2  ASN  64          2HD2      ASN  64  68.197  -1.234  -6.214
  466    H    ALA  65           H        ALA  65  72.284   2.743  -8.669
  467    HA   ALA  65           HA       ALA  65  75.089   2.144  -7.882
  468   1HB   ALA  65          1HB       ALA  65  73.862   4.549  -9.273
  469   2HB   ALA  65          2HB       ALA  65  74.443   3.113 -10.116
  470   3HB   ALA  65          3HB       ALA  65  75.574   4.126  -9.218
  471    H    VAL  66           H        VAL  66  73.041   2.525  -5.821
  472    HA   VAL  66           HA       VAL  66  73.199   5.211  -4.736
  473    HB   VAL  66           HB       VAL  66  72.093   4.114  -2.815
  474   1HG1  VAL  66          1HG1      VAL  66  71.263   3.841  -5.607
  475   2HG1  VAL  66          2HG1      VAL  66  70.320   4.344  -4.203
  476   3HG1  VAL  66          3HG1      VAL  66  70.516   2.629  -4.565
  477   1HG2  VAL  66          1HG2      VAL  66  73.266   1.705  -4.135
  478   2HG2  VAL  66          2HG2      VAL  66  71.691   1.519  -3.366
  479   3HG2  VAL  66          3HG2      VAL  66  73.076   2.063  -2.419
  480    H    SER  67           H        SER  67  75.315   5.899  -4.253
  481    HA   SER  67           HA       SER  67  77.549   4.470  -3.451
  482   1HB   SER  67          2HB       SER  67  78.107   6.676  -3.483
  483   2HB   SER  67          1HB       SER  67  76.454   7.169  -3.125
  484    HG   SER  67           HG       SER  67  78.611   6.811  -1.460
  485    H    ASP  68           H        ASP  68  78.443   4.126  -1.197
  486    HA   ASP  68           HA       ASP  68  76.808   2.528   0.429
  487   1HB   ASP  68          2HB       ASP  68  79.427   3.344   0.353
  488   2HB   ASP  68          1HB       ASP  68  78.861   4.135   1.824
  489    H    ASP  69           H        ASP  69  77.886   5.793   1.443
  490    HA   ASP  69           HA       ASP  69  76.059   6.178   3.529
  491   1HB   ASP  69          2HB       ASP  69  77.818   7.736   1.823
  492   2HB   ASP  69          1HB       ASP  69  76.375   8.661   2.242
  493    H    GLU  70           H        GLU  70  75.441   6.167   0.102
  494    HA   GLU  70           HA       GLU  70  72.982   7.703   0.173
  495   1HB   GLU  70          2HB       GLU  70  74.693   6.305  -1.702
  496   2HB   GLU  70          1HB       GLU  70  72.999   5.929  -2.023
  497   1HG   GLU  70          2HG       GLU  70  73.381   7.890  -3.277
  498   2HG   GLU  70          1HG       GLU  70  72.606   8.482  -1.807
  499    H    ALA  71           H        ALA  71  73.697   4.203   0.056
  500    HA   ALA  71           HA       ALA  71  70.910   3.406   0.216
  501   1HB   ALA  71          1HB       ALA  71  73.513   2.261  -0.108
  502   2HB   ALA  71          2HB       ALA  71  71.953   1.477  -0.350
  503   3HB   ALA  71          3HB       ALA  71  72.730   1.426   1.233
  504    H    GLN  72           H        GLN  72  73.224   4.552   2.493
  505    HA   GLN  72           HA       GLN  72  72.125   3.260   4.863
  506   1HB   GLN  72          2HB       GLN  72  74.265   5.089   4.087
  507   2HB   GLN  72          1HB       GLN  72  73.484   5.609   5.581
  508   1HG   GLN  72          2HG       GLN  72  73.742   2.851   5.890
  509   2HG   GLN  72          1HG       GLN  72  75.252   3.333   5.115
  510   1HE2  GLN  72          1HE2      GLN  72  76.097   2.687   7.401
  511   2HE2  GLN  72          2HE2      GLN  72  76.106   3.915   8.587
  512    H    THR  73           H        THR  73  71.829   6.417   3.271
  513    HA   THR  73           HA       THR  73  69.915   7.465   5.210
  514    HB   THR  73           HB       THR  73  70.091   8.541   2.442
  515    HG1  THR  73           HG1      THR  73  72.232   9.408   3.149
  516   1HG2  THR  73          1HG2      THR  73  70.943  10.284   4.580
  517   2HG2  THR  73          2HG2      THR  73  69.455   9.457   5.038
  518   3HG2  THR  73          3HG2      THR  73  69.514  10.411   3.555
  519    H    LEU  74           H        LEU  74  69.841   5.634   2.227
  520    HA   LEU  74           HA       LEU  74  67.027   6.025   1.619
  521   1HB   LEU  74          2HB       LEU  74  69.186   4.047   0.840
  522   2HB   LEU  74          1HB       LEU  74  67.544   3.901   0.227
  523    HG   LEU  74           HG       LEU  74  69.368   6.298  -0.106
  524   1HD1  LEU  74          1HD1      LEU  74  69.058   3.914  -1.611
  525   2HD1  LEU  74          2HD1      LEU  74  69.956   5.362  -2.068
  526   3HD1  LEU  74          3HD1      LEU  74  68.260   5.195  -2.524
  527   1HD2  LEU  74          1HD2      LEU  74  66.451   5.836  -0.731
  528   2HD2  LEU  74          2HD2      LEU  74  67.404   7.017  -1.630
  529   3HD2  LEU  74          3HD2      LEU  74  67.190   7.200   0.110
  530    H    ALA  75           H        ALA  75  68.909   3.722   3.535
  531    HA   ALA  75           HA       ALA  75  66.747   1.864   4.038
  532   1HB   ALA  75          1HB       ALA  75  69.183   2.455   5.743
  533   2HB   ALA  75          2HB       ALA  75  69.271   1.529   4.244
  534   3HB   ALA  75          3HB       ALA  75  68.320   0.924   5.600
  535    H    LYS  76           H        LYS  76  68.203   4.504   5.992
  536    HA   LYS  76           HA       LYS  76  66.278   4.312   8.134
  537   1HB   LYS  76          2HB       LYS  76  67.376   6.271   8.925
  538   2HB   LYS  76          1HB       LYS  76  68.624   5.414   8.023
  539   1HG   LYS  76          2HG       LYS  76  68.161   6.821   6.045
  540   2HG   LYS  76          1HG       LYS  76  66.921   7.685   6.955
  541   1HD   LYS  76          2HD       LYS  76  69.897   7.620   7.503
  542   2HD   LYS  76          1HD       LYS  76  68.916   9.020   7.073
  543   1HE   LYS  76          2HE       LYS  76  68.841   9.370   9.336
  544   2HE   LYS  76          1HE       LYS  76  67.614   8.087   9.323
  545   1HZ   LYS  76          1HZ       LYS  76  70.546   7.653   9.559
  546   2HZ   LYS  76          2HZ       LYS  76  69.352   6.445   9.576
  547   3HZ   LYS  76          3HZ       LYS  76  69.445   7.570  10.846
  548    H    TRP  77           H        TRP  77  66.286   5.818   4.987
  549    HA   TRP  77           HA       TRP  77  64.136   7.710   5.439
  550   1HB   TRP  77          2HB       TRP  77  65.706   7.968   3.608
  551   2HB   TRP  77          1HB       TRP  77  65.322   6.358   2.991
  552    HD1  TRP  77           HD1      TRP  77  63.519   9.719   3.653
  553    HE1  TRP  77           HE1      TRP  77  61.697  10.016   1.853
  554    HE3  TRP  77           HE3      TRP  77  64.008   5.291   1.154
  555    HZ2  TRP  77           HZ2      TRP  77  60.594   8.573  -0.352
  556    HZ3  TRP  77           HZ3      TRP  77  62.559   4.779  -0.791
  557    HH2  TRP  77           HH2      TRP  77  60.854   6.415  -1.545
  558    H    ILE  78           H        ILE  78  64.339   4.320   4.457
  559    HA   ILE  78           HA       ILE  78  61.578   4.027   3.646
  560    HB   ILE  78           HB       ILE  78  63.706   2.092   4.629
  561   1HG1  ILE  78          2HG1      ILE  78  62.768   2.195   1.795
  562   2HG1  ILE  78          1HG1      ILE  78  63.790   3.523   2.346
  563   1HG2  ILE  78          1HG2      ILE  78  61.823   0.789   4.905
  564   2HG2  ILE  78          2HG2      ILE  78  62.103   0.522   3.185
  565   3HG2  ILE  78          3HG2      ILE  78  60.892   1.693   3.711
  566   1HD1  ILE  78          1HD1      ILE  78  64.524   0.787   1.724
  567   2HD1  ILE  78          2HD1      ILE  78  64.998   1.208   3.370
  568   3HD1  ILE  78          3HD1      ILE  78  65.566   2.181   2.012
  569    H    LEU  79           H        LEU  79  63.333   3.217   6.660
  570    HA   LEU  79           HA       LEU  79  60.945   2.378   8.081
  571   1HB   LEU  79          2HB       LEU  79  63.745   3.205   8.904
  572   2HB   LEU  79          1HB       LEU  79  62.560   2.542  10.029
  573    HG   LEU  79           HG       LEU  79  62.468   0.752   7.923
  574   1HD1  LEU  79          1HD1      LEU  79  65.215   0.391   8.137
  575   2HD1  LEU  79          2HD1      LEU  79  65.049   2.134   7.926
  576   3HD1  LEU  79          3HD1      LEU  79  64.369   1.033   6.729
  577   1HD2  LEU  79          1HD2      LEU  79  64.269  -0.386   9.664
  578   2HD2  LEU  79          2HD2      LEU  79  62.523  -0.354   9.911
  579   3HD2  LEU  79          3HD2      LEU  79  63.542   0.870  10.666
  580    H    SER  80           H        SER  80  62.342   5.441   7.327
  581    HA   SER  80           HA       SER  80  61.071   6.844   9.596
  582   1HB   SER  80          2HB       SER  80  62.905   7.475   7.312
  583   2HB   SER  80          1HB       SER  80  62.031   8.801   8.073
  584    HG   SER  80           HG       SER  80  62.854   7.608  10.098
  585    H    GLN  81           H        GLN  81  60.229   5.856   6.411
  586    HA   GLN  81           HA       GLN  81  58.652   7.815   5.287
  587   1HB   GLN  81          2HB       GLN  81  58.809   4.945   5.341
  588   2HB   GLN  81          1HB       GLN  81  57.111   5.420   5.304
  589   1HG   GLN  81          2HG       GLN  81  58.102   5.189   3.020
  590   2HG   GLN  81          1HG       GLN  81  57.493   6.813   3.345
  591   1HE2  GLN  81          1HE2      GLN  81  59.055   8.546   3.595
  592   2HE2  GLN  81          2HE2      GLN  81  60.703   8.333   3.202
  593    H    LYS  82           H        LYS  82  57.627   5.673   7.974
  594    HA   LYS  82           HA       LYS  82  56.055   7.704   9.270
  595   1HB   LYS  82          2HB       LYS  82  54.741   7.426   7.192
  596   2HB   LYS  82          1HB       LYS  82  54.580   5.702   7.527
  597   1HG   LYS  82          2HG       LYS  82  52.959   6.034   9.082
  598   2HG   LYS  82          1HG       LYS  82  53.775   7.441   9.765
  599   1HD   LYS  82          2HD       LYS  82  52.134   7.386   7.217
  600   2HD   LYS  82          1HD       LYS  82  51.666   8.140   8.742
  601   1HE   LYS  82          2HE       LYS  82  54.287   9.083   7.943
  602   2HE   LYS  82          1HE       LYS  82  53.108   9.356   6.644
  603   1HZ   LYS  82          1HZ       LYS  82  52.483   9.935   9.479
  604   2HZ   LYS  82          2HZ       LYS  82  51.662  10.470   8.090
  605   3HZ   LYS  82          3HZ       LYS  82  53.196  11.097   8.470
  606    HHA  HEM  83           HHA      HEM  83  62.852  -4.979  -1.152
  607    HHB  HEM  83           HHB      HEM  83  65.378   0.893  -0.457
  608    HHC  HEM  83           HHC      HEM  83  64.692   1.710  -6.681
  609    HHD  HEM  83           HHD      HEM  83  61.352  -3.589  -7.090
  610   1HMA  HEM  83          1HMA      HEM  83  66.453  -1.965   1.697
  611   2HMA  HEM  83          2HMA      HEM  83  64.914  -1.308   2.253
  612   3HMA  HEM  83          3HMA      HEM  83  65.991  -0.318   1.268
  613   1HAA  HEM  83          1HAA      HEM  83  63.750  -4.757   1.106
  614   2HAA  HEM  83          2HAA      HEM  83  65.249  -4.068   1.726
  615   1HBA  HEM  83          1HBA      HEM  83  66.153  -4.887  -0.659
  616   2HBA  HEM  83          2HBA      HEM  83  64.829  -6.037  -0.487
  617    H2A  HEM  83          3HBB      HEM  83  67.702   2.962  -6.626
  618   1HMB  HEM  83          1HMB      HEM  83  67.350   3.268  -2.265
  619   2HMB  HEM  83          2HMB      HEM  83  66.415   2.585  -0.934
  620   3HMB  HEM  83          3HMB      HEM  83  65.760   3.923  -1.877
  621    HAB  HEM  83           HAB      HEM  83  65.553   3.205  -6.066
  622   1HBB  HEM  83          1HBB      HEM  83  67.907   1.981  -5.176
  623   2HBB  HEM  83          2HBB      HEM  83  68.232   3.714  -5.122
  624   1HMC  HEM  83          1HMC      HEM  83  64.533   0.306  -9.560
  625   2HMC  HEM  83          2HMC      HEM  83  63.848   1.659  -8.661
  626   3HMC  HEM  83          3HMC      HEM  83  62.822   0.697  -9.725
  627    HAC  HEM  83           HAC      HEM  83  61.201  -2.769  -8.774
  628   1HBC  HEM  83          1HBC      HEM  83  61.742  -1.696 -11.195
  629   2HBC  HEM  83          2HBC      HEM  83  62.639  -3.052 -10.511
  630   1HMD  HEM  83          1HMD      HEM  83  60.921  -5.887  -6.660
  631   2HMD  HEM  83          2HMD      HEM  83  59.510  -5.310  -5.772
  632   3HMD  HEM  83          3HMD      HEM  83  60.330  -6.787  -5.264
  633   1HAD  HEM  83          1HAD      HEM  83  60.504  -7.011  -3.194
  634   2HAD  HEM  83          2HAD      HEM  83  61.203  -6.330  -1.729
  635   1HBD  HEM  83          1HBD      HEM  83  63.058  -7.616  -1.891
  636   2HBD  HEM  83          2HBD      HEM  83  63.224  -7.311  -3.620
  637    H2D  HEM  83          3HBC      HEM  83  63.281  -1.414 -10.382
  Start of MODEL    8
    1   1H    GLU   1          1H        GLU   1  70.890  18.260  -0.118
    2   2H    GLU   1          2H        GLU   1  70.844  17.318   1.295
    3   3H    GLU   1          3H        GLU   1  69.612  18.445   0.982
    4    HA   GLU   1           HA       GLU   1  68.733  17.164  -0.789
    5   1HB   GLU   1          2HB       GLU   1  70.076  15.101  -1.462
    6   2HB   GLU   1          1HB       GLU   1  70.826  16.650  -1.853
    7   1HG   GLU   1          2HG       GLU   1  72.524  16.349  -0.365
    8   2HG   GLU   1          1HG       GLU   1  71.467  15.607   0.837
    9    H    ASP   2           H        ASP   2  67.042  16.420   0.461
   10    HA   ASP   2           HA       ASP   2  67.439  14.817   2.863
   11   1HB   ASP   2          2HB       ASP   2  65.071  15.683   1.185
   12   2HB   ASP   2          1HB       ASP   2  64.891  14.745   2.667
   13    HA   PRO   3           HA       PRO   3  67.361  10.732   1.246
   14   1HB   PRO   3          2HB       PRO   3  65.149   9.809   2.838
   15   2HB   PRO   3          1HB       PRO   3  66.873   9.572   3.136
   16   1HG   PRO   3          2HG       PRO   3  65.052  11.291   4.553
   17   2HG   PRO   3          1HG       PRO   3  66.768  11.019   4.874
   18   1HD   PRO   3          2HD       PRO   3  65.544  13.382   3.784
   19   2HD   PRO   3          1HD       PRO   3  67.281  13.077   4.037
   20    H    GLU   4           H        GLU   4  64.301  12.463   1.479
   21    HA   GLU   4           HA       GLU   4  62.806  10.749  -0.312
   22   1HB   GLU   4          2HB       GLU   4  61.269  12.691  -0.325
   23   2HB   GLU   4          1HB       GLU   4  61.832  12.361   1.314
   24   1HG   GLU   4          2HG       GLU   4  62.265  14.613   1.283
   25   2HG   GLU   4          1HG       GLU   4  63.764  14.069   0.530
   26    H    VAL   5           H        VAL   5  65.010  13.470  -0.705
   27    HA   VAL   5           HA       VAL   5  64.461  13.973  -3.502
   28    HB   VAL   5           HB       VAL   5  66.812  14.520  -1.664
   29   1HG1  VAL   5          1HG1      VAL   5  67.358  16.274  -3.432
   30   2HG1  VAL   5          2HG1      VAL   5  66.237  15.423  -4.494
   31   3HG1  VAL   5          3HG1      VAL   5  67.679  14.604  -3.894
   32   1HG2  VAL   5          1HG2      VAL   5  65.869  16.809  -1.638
   33   2HG2  VAL   5          2HG2      VAL   5  64.700  15.632  -1.038
   34   3HG2  VAL   5          3HG2      VAL   5  64.548  16.272  -2.674
   35    H    LEU   6           H        LEU   6  67.262  12.438  -1.898
   36    HA   LEU   6           HA       LEU   6  68.373  11.311  -4.289
   37   1HB   LEU   6          2HB       LEU   6  69.447   9.736  -2.509
   38   2HB   LEU   6          1HB       LEU   6  69.792  11.459  -2.407
   39    HG   LEU   6           HG       LEU   6  67.375  10.885  -0.948
   40   1HD1  LEU   6          1HD1      LEU   6  69.430   9.591   0.618
   41   2HD1  LEU   6          2HD1      LEU   6  69.202   8.732  -0.906
   42   3HD1  LEU   6          3HD1      LEU   6  67.833   8.988   0.175
   43   1HD2  LEU   6          1HD2      LEU   6  68.994  12.806  -0.693
   44   2HD2  LEU   6          2HD2      LEU   6  70.138  11.675   0.027
   45   3HD2  LEU   6          3HD2      LEU   6  68.604  12.005   0.828
   46    H    ALA   7           H        ALA   7  65.710  10.355  -2.285
   47    HA   ALA   7           HA       ALA   7  65.655   7.555  -3.082
   48   1HB   ALA   7          1HB       ALA   7  63.749   9.500  -1.764
   49   2HB   ALA   7          2HB       ALA   7  64.645   8.181  -1.012
   50   3HB   ALA   7          3HB       ALA   7  63.292   7.827  -2.086
   51    H    LYS   8           H        LYS   8  64.335  10.579  -4.316
   52    HA   LYS   8           HA       LYS   8  62.571   9.213  -6.250
   53   1HB   LYS   8          2HB       LYS   8  62.677  11.686  -4.962
   54   2HB   LYS   8          1HB       LYS   8  63.110  12.065  -6.631
   55   1HG   LYS   8          2HG       LYS   8  60.943  10.193  -6.668
   56   2HG   LYS   8          1HG       LYS   8  60.518  11.514  -5.579
   57   1HD   LYS   8          2HD       LYS   8  61.726  12.773  -7.767
   58   2HD   LYS   8          1HD       LYS   8  60.712  11.519  -8.481
   59   1HE   LYS   8          2HE       LYS   8  58.865  12.370  -6.863
   60   2HE   LYS   8          1HE       LYS   8  59.882  13.817  -6.705
   61   1HZ   LYS   8          1HZ       LYS   8  59.099  12.628  -9.311
   62   2HZ   LYS   8          2HZ       LYS   8  59.885  14.113  -9.052
   63   3HZ   LYS   8          3HZ       LYS   8  58.264  13.913  -8.583
   64    H    ASN   9           H        ASN   9  65.759  10.683  -6.133
   65    HA   ASN   9           HA       ASN   9  66.133  10.954  -8.994
   66   1HB   ASN   9          2HB       ASN   9  68.295  10.571  -6.918
   67   2HB   ASN   9          1HB       ASN   9  68.333  11.581  -8.363
   68   1HD2  ASN   9          1HD2      ASN   9  65.446  12.473  -7.675
   69   2HD2  ASN   9          2HD2      ASN   9  65.663  13.632  -6.446
   70    H    LYS  10           H        LYS  10  66.927   8.408  -6.616
   71    HA   LYS  10           HA       LYS  10  68.248   6.757  -8.655
   72   1HB   LYS  10          2HB       LYS  10  67.672   6.687  -5.733
   73   2HB   LYS  10          1HB       LYS  10  67.949   5.137  -6.534
   74   1HG   LYS  10          2HG       LYS  10  70.155   5.576  -6.287
   75   2HG   LYS  10          1HG       LYS  10  69.942   6.745  -7.590
   76   1HD   LYS  10          2HD       LYS  10  69.073   8.204  -5.471
   77   2HD   LYS  10          1HD       LYS  10  70.289   7.192  -4.689
   78   1HE   LYS  10          2HE       LYS  10  72.030   8.015  -6.061
   79   2HE   LYS  10          1HE       LYS  10  70.895   8.638  -7.275
   80   1HZ   LYS  10          1HZ       LYS  10  70.126  10.282  -5.797
   81   2HZ   LYS  10          2HZ       LYS  10  71.820  10.337  -5.679
   82   3HZ   LYS  10          3HZ       LYS  10  70.905   9.578  -4.465
   83    H    GLY  11           H        GLY  11  65.052   7.427  -7.898
   84   1HA   GLY  11          2HA       GLY  11  63.122   6.466  -8.888
   85   2HA   GLY  11          1HA       GLY  11  64.118   5.132  -9.467
   86    H    CYS  12           H        CYS  12  64.464   5.906  -6.119
   87    HA   CYS  12           HA       CYS  12  63.641   3.301  -5.261
   88   1HB   CYS  12          2HB       CYS  12  63.734   5.849  -3.628
   89   2HB   CYS  12          1HB       CYS  12  63.998   4.204  -3.054
   90    H    MET  13           H        MET  13  61.923   6.415  -5.346
   91    HA   MET  13           HA       MET  13  59.540   5.345  -4.027
   92   1HB   MET  13          2HB       MET  13  60.057   7.909  -5.568
   93   2HB   MET  13          1HB       MET  13  58.715   7.618  -4.459
   94   1HG   MET  13          2HG       MET  13  61.105   6.949  -3.070
   95   2HG   MET  13          1HG       MET  13  61.370   8.514  -3.841
   96   1HE   MET  13          1HE       MET  13  58.130   7.171  -0.993
   97   2HE   MET  13          2HE       MET  13  58.849   6.331  -2.365
   98   3HE   MET  13          3HE       MET  13  57.521   7.459  -2.628
   99    H    ALA  14           H        ALA  14  60.743   4.686  -6.986
  100    HA   ALA  14           HA       ALA  14  58.308   5.100  -8.582
  101   1HB   ALA  14          1HB       ALA  14  61.032   4.926  -9.055
  102   2HB   ALA  14          2HB       ALA  14  59.780   4.881 -10.297
  103   3HB   ALA  14          3HB       ALA  14  60.428   3.376  -9.644
  104    H    CYS  15           H        CYS  15  60.047   2.417  -7.047
  105    HA   CYS  15           HA       CYS  15  57.903   0.531  -7.932
  106   1HB   CYS  15          2HB       CYS  15  60.730   0.262  -6.888
  107   2HB   CYS  15          1HB       CYS  15  59.657  -1.125  -7.056
  108    H    HIS  16           H        HIS  16  59.136   2.214  -5.147
  109    HA   HIS  16           HA       HIS  16  57.828   0.300  -3.279
  110   1HB   HIS  16          2HB       HIS  16  59.844   2.507  -3.137
  111   2HB   HIS  16          1HB       HIS  16  58.953   2.077  -1.673
  112    HD1  HIS  16           HD1      HIS  16  58.784  -0.869  -1.684
  113    HD2  HIS  16           HD2      HIS  16  62.208   1.083  -3.055
  114    HE1  HIS  16           HE1      HIS  16  60.675  -2.546  -1.530
  115    H    ALA  17           H        ALA  17  56.657   1.360  -1.406
  116    HA   ALA  17           HA       ALA  17  55.184   3.848  -2.098
  117   1HB   ALA  17          1HB       ALA  17  53.524   1.594  -1.141
  118   2HB   ALA  17          2HB       ALA  17  54.215   1.361  -2.746
  119   3HB   ALA  17          3HB       ALA  17  53.194   2.762  -2.420
  120    H    ILE  18           H        ILE  18  55.369   5.057  -0.250
  121    HA   ILE  18           HA       ILE  18  56.430   4.483   2.194
  122    HB   ILE  18           HB       ILE  18  53.968   6.152   1.574
  123   1HG1  ILE  18          2HG1      ILE  18  56.175   7.796   1.961
  124   2HG1  ILE  18          1HG1      ILE  18  56.843   6.424   1.077
  125   1HG2  ILE  18          1HG2      ILE  18  55.786   6.919   3.779
  126   2HG2  ILE  18          2HG2      ILE  18  54.812   5.480   4.081
  127   3HG2  ILE  18          3HG2      ILE  18  54.028   7.009   3.687
  128   1HD1  ILE  18          1HD1      ILE  18  54.858   8.454   0.203
  129   2HD1  ILE  18          2HD1      ILE  18  54.570   6.800  -0.334
  130   3HD1  ILE  18          3HD1      ILE  18  56.088   7.605  -0.734
  131    H    ASP  19           H        ASP  19  53.148   3.595   1.178
  132    HA   ASP  19           HA       ASP  19  53.036   1.676   3.435
  133   1HB   ASP  19          2HB       ASP  19  50.786   2.742   4.110
  134   2HB   ASP  19          1HB       ASP  19  52.253   3.615   4.554
  135    H    THR  20           H        THR  20  52.495   2.198   0.254
  136    HA   THR  20           HA       THR  20  49.970   0.610   0.132
  137    HB   THR  20           HB       THR  20  50.798   1.370  -2.430
  138    HG1  THR  20           HG1      THR  20  50.897   3.693  -0.925
  139   1HG2  THR  20          1HG2      THR  20  48.613   1.876  -2.328
  140   2HG2  THR  20          2HG2      THR  20  49.038   3.340  -1.440
  141   3HG2  THR  20          3HG2      THR  20  48.658   1.857  -0.565
  142    H    LYS  21           H        LYS  21  50.147  -0.834  -2.087
  143    HA   LYS  21           HA       LYS  21  52.659  -2.429  -1.799
  144   1HB   LYS  21          2HB       LYS  21  49.898  -3.415  -2.546
  145   2HB   LYS  21          1HB       LYS  21  51.289  -4.391  -2.073
  146   1HG   LYS  21          2HG       LYS  21  50.026  -2.330  -0.252
  147   2HG   LYS  21          1HG       LYS  21  49.561  -4.031  -0.248
  148   1HD   LYS  21          2HD       LYS  21  51.458  -4.675   0.819
  149   2HD   LYS  21          1HD       LYS  21  52.471  -3.578  -0.124
  150   1HE   LYS  21          2HE       LYS  21  52.468  -2.867   2.232
  151   2HE   LYS  21          1HE       LYS  21  51.588  -1.668   1.262
  152   1HZ   LYS  21          1HZ       LYS  21  50.543  -2.878   3.407
  153   2HZ   LYS  21          2HZ       LYS  21  50.017  -3.927   2.179
  154   3HZ   LYS  21          3HZ       LYS  21  49.615  -2.277   2.122
  155    H    MET  22           H        MET  22  53.830  -1.817  -3.624
  156    HA   MET  22           HA       MET  22  52.408  -1.954  -6.264
  157   1HB   MET  22          2HB       MET  22  54.593  -0.213  -5.131
  158   2HB   MET  22          1HB       MET  22  54.428  -0.409  -6.880
  159   1HG   MET  22          2HG       MET  22  52.394   0.685  -6.950
  160   2HG   MET  22          1HG       MET  22  51.970   0.226  -5.301
  161   1HE   MET  22          1HE       MET  22  55.181   3.278  -6.463
  162   2HE   MET  22          2HE       MET  22  54.637   1.861  -7.356
  163   3HE   MET  22          3HE       MET  22  55.645   1.657  -5.925
  164    H    VAL  23           H        VAL  23  55.812  -1.615  -6.410
  165    HA   VAL  23           HA       VAL  23  56.077  -4.369  -7.424
  166    HB   VAL  23           HB       VAL  23  57.891  -1.945  -7.291
  167   1HG1  VAL  23          1HG1      VAL  23  58.369  -4.763  -8.202
  168   2HG1  VAL  23          2HG1      VAL  23  59.460  -3.662  -7.361
  169   3HG1  VAL  23          3HG1      VAL  23  59.138  -3.441  -9.081
  170   1HG2  VAL  23          1HG2      VAL  23  55.761  -2.674  -9.002
  171   2HG2  VAL  23          2HG2      VAL  23  57.241  -2.961  -9.919
  172   3HG2  VAL  23          3HG2      VAL  23  56.919  -1.364  -9.242
  173    H    GLY  24           H        GLY  24  57.349  -2.324  -4.827
  174   1HA   GLY  24          2HA       GLY  24  58.535  -4.771  -3.577
  175   2HA   GLY  24          1HA       GLY  24  59.183  -3.142  -3.340
  176    HA   PRO  25           HA       PRO  25  55.912  -4.335  -0.096
  177   1HB   PRO  25          2HB       PRO  25  57.977  -4.252   1.906
  178   2HB   PRO  25          1HB       PRO  25  57.013  -5.641   1.395
  179   1HG   PRO  25          2HG       PRO  25  59.784  -5.199   0.912
  180   2HG   PRO  25          1HG       PRO  25  58.784  -6.516   0.292
  181   1HD   PRO  25          2HD       PRO  25  59.848  -4.213  -1.149
  182   2HD   PRO  25          1HD       PRO  25  59.003  -5.639  -1.801
  183    H    ALA  26           H        ALA  26  54.915  -2.572   0.868
  184    HA   ALA  26           HA       ALA  26  55.617   0.078   0.551
  185   1HB   ALA  26          1HB       ALA  26  53.596   0.070   1.573
  186   2HB   ALA  26          2HB       ALA  26  54.455  -0.074   3.107
  187   3HB   ALA  26          3HB       ALA  26  53.898  -1.523   2.268
  188    H    TYR  27           H        TYR  27  56.808   1.621   1.805
  189    HA   TYR  27           HA       TYR  27  59.238   0.730   3.011
  190   1HB   TYR  27          2HB       TYR  27  57.660   3.302   2.908
  191   2HB   TYR  27          1HB       TYR  27  59.191   3.219   3.768
  192    HD1  TYR  27           HD1      TYR  27  60.720   1.327   2.071
  193    HD2  TYR  27           HD2      TYR  27  58.141   4.583   0.984
  194    HE1  TYR  27           HE1      TYR  27  61.945   1.583  -0.067
  195    HE2  TYR  27           HE2      TYR  27  59.369   4.842  -1.154
  196    HH   TYR  27           HH       TYR  27  62.032   2.637  -2.020
  197    H    LYS  28           H        LYS  28  56.458   2.367   4.594
  198    HA   LYS  28           HA       LYS  28  57.190   2.049   7.266
  199   1HB   LYS  28          2HB       LYS  28  54.929   2.758   5.769
  200   2HB   LYS  28          1HB       LYS  28  54.376   1.436   6.797
  201   1HG   LYS  28          2HG       LYS  28  56.055   3.564   8.054
  202   2HG   LYS  28          1HG       LYS  28  54.381   3.959   7.664
  203   1HD   LYS  28          2HD       LYS  28  54.788   1.336   8.975
  204   2HD   LYS  28          1HD       LYS  28  55.132   2.745   9.980
  205   1HE   LYS  28          2HE       LYS  28  52.851   2.605  10.361
  206   2HE   LYS  28          1HE       LYS  28  52.799   3.559   8.865
  207   1HZ   LYS  28          1HZ       LYS  28  52.808   0.589   8.964
  208   2HZ   LYS  28          2HZ       LYS  28  52.636   1.559   7.578
  209   3HZ   LYS  28          3HZ       LYS  28  51.412   1.532   8.758
  210    H    ASP  29           H        ASP  29  55.409  -0.275   5.235
  211    HA   ASP  29           HA       ASP  29  55.091  -2.351   7.145
  212   1HB   ASP  29          2HB       ASP  29  55.340  -2.160   4.151
  213   2HB   ASP  29          1HB       ASP  29  55.204  -3.743   4.916
  214    H    VAL  30           H        VAL  30  57.828  -1.608   4.982
  215    HA   VAL  30           HA       VAL  30  59.415  -3.912   5.441
  216    HB   VAL  30           HB       VAL  30  60.133  -1.002   4.971
  217   1HG1  VAL  30          1HG1      VAL  30  62.285  -1.599   5.240
  218   2HG1  VAL  30          2HG1      VAL  30  62.097  -2.757   3.922
  219   3HG1  VAL  30          3HG1      VAL  30  61.808  -3.261   5.587
  220   1HG2  VAL  30          1HG2      VAL  30  59.436  -1.406   2.868
  221   2HG2  VAL  30          2HG2      VAL  30  58.964  -3.040   3.337
  222   3HG2  VAL  30          3HG2      VAL  30  60.596  -2.729   2.741
  223    H    ALA  31           H        ALA  31  59.024  -0.955   7.352
  224    HA   ALA  31           HA       ALA  31  61.110  -1.672   9.271
  225   1HB   ALA  31          1HB       ALA  31  59.842   0.613   8.471
  226   2HB   ALA  31          2HB       ALA  31  60.763   0.478   9.968
  227   3HB   ALA  31          3HB       ALA  31  59.010   0.283   9.990
  228    H    ALA  32           H        ALA  32  57.623  -2.081   9.013
  229    HA   ALA  32           HA       ALA  32  57.147  -2.767  11.782
  230   1HB   ALA  32          1HB       ALA  32  55.463  -3.848   9.570
  231   2HB   ALA  32          2HB       ALA  32  55.631  -2.095   9.663
  232   3HB   ALA  32          3HB       ALA  32  54.975  -2.992  11.032
  233    H    LYS  33           H        LYS  33  58.319  -4.546   9.006
  234    HA   LYS  33           HA       LYS  33  57.832  -7.167  10.271
  235   1HB   LYS  33          2HB       LYS  33  57.749  -6.363   7.735
  236   2HB   LYS  33          1HB       LYS  33  59.473  -6.744   7.797
  237   1HG   LYS  33          2HG       LYS  33  58.490  -8.777   7.126
  238   2HG   LYS  33          1HG       LYS  33  58.716  -8.988   8.863
  239   1HD   LYS  33          2HD       LYS  33  56.305  -7.974   9.032
  240   2HD   LYS  33          1HD       LYS  33  56.179  -8.455   7.341
  241   1HE   LYS  33          2HE       LYS  33  56.463 -10.752   7.846
  242   2HE   LYS  33          1HE       LYS  33  57.128 -10.401   9.454
  243   1HZ   LYS  33          1HZ       LYS  33  54.991 -10.744  10.075
  244   2HZ   LYS  33          2HZ       LYS  33  54.358 -10.363   8.545
  245   3HZ   LYS  33          3HZ       LYS  33  54.815  -9.121   9.612
  246    H    TYR  34           H        TYR  34  60.600  -5.108   9.343
  247    HA   TYR  34           HA       TYR  34  62.496  -6.960  10.660
  248   1HB   TYR  34          2HB       TYR  34  62.625  -4.464   8.975
  249   2HB   TYR  34          1HB       TYR  34  64.060  -5.005   9.857
  250    HD1  TYR  34           HD1      TYR  34  63.794  -7.935   9.743
  251    HD2  TYR  34           HD2      TYR  34  63.052  -4.977   6.717
  252    HE1  TYR  34           HE1      TYR  34  64.241  -9.623   7.983
  253    HE2  TYR  34           HE2      TYR  34  63.501  -6.665   4.958
  254    HH   TYR  34           HH       TYR  34  65.066  -9.467   5.458
  255    H    ALA  35           H        ALA  35  60.369  -4.844  11.870
  256    HA   ALA  35           HA       ALA  35  61.772  -2.941  13.420
  257   1HB   ALA  35          1HB       ALA  35  59.217  -3.560  13.037
  258   2HB   ALA  35          2HB       ALA  35  59.722  -2.718  14.503
  259   3HB   ALA  35          3HB       ALA  35  59.438  -4.458  14.539
  260    H    GLY  36           H        GLY  36  62.887  -3.070  15.376
  261   1HA   GLY  36          2HA       GLY  36  63.633  -4.083  17.409
  262   2HA   GLY  36          1HA       GLY  36  62.864  -5.590  16.913
  263    H    GLN  37           H        GLN  37  64.326  -4.896  14.185
  264    HA   GLN  37           HA       GLN  37  66.384  -6.812  14.338
  265   1HB   GLN  37          2HB       GLN  37  65.677  -4.482  12.597
  266   2HB   GLN  37          1HB       GLN  37  67.252  -5.238  12.357
  267   1HG   GLN  37          2HG       GLN  37  65.025  -7.149  12.642
  268   2HG   GLN  37          1HG       GLN  37  64.924  -6.123  11.210
  269   1HE2  GLN  37          1HE2      GLN  37  65.381  -8.769  10.667
  270   2HE2  GLN  37          2HE2      GLN  37  67.010  -9.035  10.234
  271    H    ALA  38           H        ALA  38  68.633  -6.652  14.724
  272    HA   ALA  38           HA       ALA  38  69.461  -4.404  16.445
  273   1HB   ALA  38          1HB       ALA  38  69.818  -7.030  16.642
  274   2HB   ALA  38          2HB       ALA  38  71.060  -5.913  17.208
  275   3HB   ALA  38          3HB       ALA  38  71.223  -6.688  15.632
  276    H    GLY  39           H        GLY  39  69.098  -3.473  13.851
  277   1HA   GLY  39          2HA       GLY  39  70.713  -1.849  12.841
  278   2HA   GLY  39          1HA       GLY  39  71.916  -3.139  12.903
  279    H    ALA  40           H        ALA  40  68.531  -2.981  11.734
  280    HA   ALA  40           HA       ALA  40  69.093  -4.744   9.494
  281   1HB   ALA  40          1HB       ALA  40  66.890  -3.733  10.902
  282   2HB   ALA  40          2HB       ALA  40  66.830  -4.821   9.515
  283   3HB   ALA  40          3HB       ALA  40  66.713  -3.077   9.275
  284    H    GLU  41           H        GLU  41  69.329  -1.306   9.995
  285    HA   GLU  41           HA       GLU  41  68.997  -0.428   7.272
  286   1HB   GLU  41          2HB       GLU  41  70.119   1.595   8.139
  287   2HB   GLU  41          1HB       GLU  41  68.926   1.005   9.297
  288   1HG   GLU  41          2HG       GLU  41  71.322  -0.363   9.897
  289   2HG   GLU  41          1HG       GLU  41  71.779   1.322   9.639
  290    H    ALA  42           H        ALA  42  71.613  -1.986   8.978
  291    HA   ALA  42           HA       ALA  42  73.751  -1.193   7.185
  292   1HB   ALA  42          1HB       ALA  42  74.993  -2.363   8.707
  293   2HB   ALA  42          2HB       ALA  42  73.930  -3.767   8.627
  294   3HB   ALA  42          3HB       ALA  42  73.499  -2.392   9.643
  295    H    TYR  43           H        TYR  43  72.115  -4.369   7.615
  296    HA   TYR  43           HA       TYR  43  73.165  -5.474   5.169
  297   1HB   TYR  43          2HB       TYR  43  72.417  -6.999   6.809
  298   2HB   TYR  43          1HB       TYR  43  70.940  -6.083   7.117
  299    HD1  TYR  43           HD1      TYR  43  68.974  -6.360   5.738
  300    HD2  TYR  43           HD2      TYR  43  72.623  -8.419   4.793
  301    HE1  TYR  43           HE1      TYR  43  67.746  -7.797   4.131
  302    HE2  TYR  43           HE2      TYR  43  71.396  -9.855   3.188
  303    HH   TYR  43           HH       TYR  43  67.884  -9.727   2.913
  304    H    LEU  44           H        LEU  44  70.446  -3.427   5.915
  305    HA   LEU  44           HA       LEU  44  68.929  -3.868   3.503
  306   1HB   LEU  44          2HB       LEU  44  69.177  -1.763   5.643
  307   2HB   LEU  44          1HB       LEU  44  68.212  -1.413   4.205
  308    HG   LEU  44           HG       LEU  44  67.842  -3.823   6.012
  309   1HD1  LEU  44          1HD1      LEU  44  66.540  -1.121   5.860
  310   2HD1  LEU  44          2HD1      LEU  44  66.994  -2.061   7.281
  311   3HD1  LEU  44          3HD1      LEU  44  65.575  -2.518   6.338
  312   1HD2  LEU  44          1HD2      LEU  44  65.625  -3.134   4.281
  313   2HD2  LEU  44          2HD2      LEU  44  66.508  -4.657   4.397
  314   3HD2  LEU  44          3HD2      LEU  44  67.089  -3.380   3.326
  315    H    ALA  45           H        ALA  45  71.632  -1.795   4.421
  316    HA   ALA  45           HA       ALA  45  71.672  -0.229   1.985
  317   1HB   ALA  45          1HB       ALA  45  72.712   0.666   3.920
  318   2HB   ALA  45          2HB       ALA  45  74.065   0.186   2.896
  319   3HB   ALA  45          3HB       ALA  45  73.576  -0.835   4.248
  320    H    GLN  46           H        GLN  46  73.116  -3.309   3.006
  321    HA   GLN  46           HA       GLN  46  74.930  -3.479   0.735
  322   1HB   GLN  46          2HB       GLN  46  73.800  -5.586   2.608
  323   2HB   GLN  46          1HB       GLN  46  75.213  -5.791   1.572
  324   1HG   GLN  46          2HG       GLN  46  75.137  -3.466   3.464
  325   2HG   GLN  46          1HG       GLN  46  75.514  -5.068   4.098
  326   1HE2  GLN  46          1HE2      GLN  46  76.644  -2.530   1.878
  327   2HE2  GLN  46          2HE2      GLN  46  78.219  -3.157   1.691
  328    H    ARG  47           H        ARG  47  71.640  -4.682   1.393
  329    HA   ARG  47           HA       ARG  47  71.540  -6.107  -1.187
  330   1HB   ARG  47          2HB       ARG  47  69.434  -5.469   0.909
  331   2HB   ARG  47          1HB       ARG  47  69.245  -6.615  -0.419
  332   1HG   ARG  47          2HG       ARG  47  71.148  -6.807   1.924
  333   2HG   ARG  47          1HG       ARG  47  69.847  -7.916   1.493
  334   1HD   ARG  47          2HD       ARG  47  71.335  -7.932  -0.813
  335   2HD   ARG  47          1HD       ARG  47  72.595  -7.762   0.426
  336    HE   ARG  47           HE       ARG  47  70.567  -9.740   1.130
  337   1HH1  ARG  47          1HH1      ARG  47  73.498  -9.094  -0.579
  338   2HH1  ARG  47          2HH1      ARG  47  74.043 -10.736  -0.527
  339   1HH2  ARG  47          1HH2      ARG  47  71.268 -11.886   1.203
  340   2HH2  ARG  47          2HH2      ARG  47  72.782 -12.314   0.481
  341    H    ILE  48           H        ILE  48  70.984  -2.933  -0.032
  342    HA   ILE  48           HA       ILE  48  69.033  -2.206  -2.123
  343    HB   ILE  48           HB       ILE  48  70.530  -0.823   0.109
  344   1HG1  ILE  48          2HG1      ILE  48  67.560  -0.922  -0.452
  345   2HG1  ILE  48          1HG1      ILE  48  68.386  -2.210   0.428
  346   1HG2  ILE  48          1HG2      ILE  48  68.805   1.093  -0.777
  347   2HG2  ILE  48          2HG2      ILE  48  69.304   0.372  -2.307
  348   3HG2  ILE  48          3HG2      ILE  48  70.515   1.039  -1.212
  349   1HD1  ILE  48          1HD1      ILE  48  67.815   0.590   1.263
  350   2HD1  ILE  48          2HD1      ILE  48  69.362  -0.089   1.768
  351   3HD1  ILE  48          3HD1      ILE  48  67.859  -0.885   2.228
  352    H    LYS  49           H        LYS  49  72.494  -2.172  -1.564
  353    HA   LYS  49           HA       LYS  49  73.066  -0.302  -3.755
  354   1HB   LYS  49          2HB       LYS  49  74.349  -1.465  -1.476
  355   2HB   LYS  49          1HB       LYS  49  75.335  -1.810  -2.897
  356   1HG   LYS  49          2HG       LYS  49  74.430   0.880  -3.119
  357   2HG   LYS  49          1HG       LYS  49  75.064   0.668  -1.487
  358   1HD   LYS  49          2HD       LYS  49  77.056   1.105  -2.536
  359   2HD   LYS  49          1HD       LYS  49  76.984  -0.627  -2.868
  360   1HE   LYS  49          2HE       LYS  49  75.444   0.657  -4.892
  361   2HE   LYS  49          1HE       LYS  49  76.984   1.532  -4.763
  362   1HZ   LYS  49          1HZ       LYS  49  76.495  -1.276  -5.420
  363   2HZ   LYS  49          2HZ       LYS  49  77.877  -0.920  -4.498
  364   3HZ   LYS  49          3HZ       LYS  49  77.669  -0.214  -6.030
  365    H    ASN  50           H        ASN  50  72.610  -3.727  -3.384
  366    HA   ASN  50           HA       ASN  50  73.609  -4.131  -6.182
  367   1HB   ASN  50          2HB       ASN  50  74.036  -5.628  -3.624
  368   2HB   ASN  50          1HB       ASN  50  74.018  -6.537  -5.136
  369   1HD2  ASN  50          1HD2      ASN  50  75.870  -6.408  -6.470
  370   2HD2  ASN  50          2HD2      ASN  50  77.205  -5.399  -6.143
  371    H    GLY  51           H        GLY  51  70.955  -4.194  -4.142
  372   1HA   GLY  51          2HA       GLY  51  68.811  -5.159  -4.269
  373   2HA   GLY  51          1HA       GLY  51  69.096  -5.167  -6.010
  374    H    SER  52           H        SER  52  67.632  -7.284  -5.112
  375    HA   SER  52           HA       SER  52  69.031  -9.590  -5.962
  376   1HB   SER  52          2HB       SER  52  69.789  -8.641  -3.342
  377   2HB   SER  52          1HB       SER  52  69.083 -10.250  -3.211
  378    HG   SER  52           HG       SER  52  70.962 -10.892  -3.897
  379    H    GLN  53           H        GLN  53  67.945 -11.673  -5.278
  380    HA   GLN  53           HA       GLN  53  65.044 -11.196  -4.780
  381   1HB   GLN  53          2HB       GLN  53  64.815 -12.725  -6.436
  382   2HB   GLN  53          1HB       GLN  53  66.563 -12.710  -6.616
  383   1HG   GLN  53          2HG       GLN  53  65.055 -14.522  -4.708
  384   2HG   GLN  53          1HG       GLN  53  65.649 -15.003  -6.292
  385   1HE2  GLN  53          1HE2      GLN  53  68.170 -13.982  -6.465
  386   2HE2  GLN  53          2HE2      GLN  53  69.156 -14.538  -5.187
  387    H    GLY  54           H        GLY  54  64.038 -13.256  -3.592
  388   1HA   GLY  54          2HA       GLY  54  63.946 -14.591  -1.649
  389   2HA   GLY  54          1HA       GLY  54  65.708 -14.496  -1.561
  390    H    VAL  55           H        VAL  55  63.942 -11.551  -1.862
  391    HA   VAL  55           HA       VAL  55  64.810 -10.753   0.862
  392    HB   VAL  55           HB       VAL  55  63.524  -9.128  -1.354
  393   1HG1  VAL  55          1HG1      VAL  55  64.246  -7.266  -0.201
  394   2HG1  VAL  55          2HG1      VAL  55  65.597  -8.124   0.542
  395   3HG1  VAL  55          3HG1      VAL  55  63.961  -8.357   1.155
  396   1HG2  VAL  55          1HG2      VAL  55  66.460  -9.742  -0.895
  397   2HG2  VAL  55          2HG2      VAL  55  65.824  -8.609  -2.087
  398   3HG2  VAL  55          3HG2      VAL  55  65.485 -10.332  -2.241
  399    H    TRP  56           H        TRP  56  61.908  -9.930  -1.048
  400    HA   TRP  56           HA       TRP  56  60.237 -10.457   1.384
  401   1HB   TRP  56          2HB       TRP  56  60.140  -8.432  -0.865
  402   2HB   TRP  56          1HB       TRP  56  58.778  -8.698   0.218
  403    HD1  TRP  56           HD1      TRP  56  62.299  -7.278   0.104
  404    HE1  TRP  56           HE1      TRP  56  62.740  -5.931   2.258
  405    HE3  TRP  56           HE3      TRP  56  58.115  -8.484   2.782
  406    HZ2  TRP  56           HZ2      TRP  56  61.494  -5.432   4.775
  407    HZ3  TRP  56           HZ3      TRP  56  57.773  -7.556   5.057
  408    HH2  TRP  56           HH2      TRP  56  59.455  -6.033   6.054
  409    H    GLY  57           H        GLY  57  60.539 -10.692  -2.126
  410   1HA   GLY  57          2HA       GLY  57  58.681 -12.984  -2.148
  411   2HA   GLY  57          1HA       GLY  57  58.203 -11.592  -3.122
  412    HA   PRO  58           HA       PRO  58  61.015 -14.370  -5.627
  413   1HB   PRO  58          2HB       PRO  58  59.004 -14.316  -7.681
  414   2HB   PRO  58          1HB       PRO  58  59.515 -15.689  -6.693
  415   1HG   PRO  58          2HG       PRO  58  57.022 -14.346  -6.569
  416   2HG   PRO  58          1HG       PRO  58  57.618 -15.580  -5.455
  417   1HD   PRO  58          2HD       PRO  58  57.363 -12.684  -5.031
  418   2HD   PRO  58          1HD       PRO  58  57.654 -13.973  -3.834
  419    H    ILE  59           H        ILE  59  60.213 -11.204  -5.595
  420    HA   ILE  59           HA       ILE  59  61.153 -10.664  -8.385
  421    HB   ILE  59           HB       ILE  59  59.892  -8.728  -6.436
  422   1HG1  ILE  59          2HG1      ILE  59  58.522 -10.634  -8.361
  423   2HG1  ILE  59          1HG1      ILE  59  58.358 -10.617  -6.605
  424   1HG2  ILE  59          1HG2      ILE  59  59.504  -8.705  -9.400
  425   2HG2  ILE  59          2HG2      ILE  59  61.071  -8.199  -8.767
  426   3HG2  ILE  59          3HG2      ILE  59  59.604  -7.354  -8.271
  427   1HD1  ILE  59          1HD1      ILE  59  57.701  -8.175  -8.253
  428   2HD1  ILE  59          2HD1      ILE  59  57.179  -8.567  -6.614
  429   3HD1  ILE  59          3HD1      ILE  59  56.508  -9.446  -7.989
  430    HA   PRO  60           HA       PRO  60  64.861  -9.719  -5.824
  431   1HB   PRO  60          2HB       PRO  60  66.299  -9.761  -8.318
  432   2HB   PRO  60          1HB       PRO  60  66.374 -10.934  -7.005
  433   1HG   PRO  60          2HG       PRO  60  65.173 -11.264  -9.586
  434   2HG   PRO  60          1HG       PRO  60  65.224 -12.430  -8.262
  435   1HD   PRO  60          2HD       PRO  60  62.943 -10.945  -9.223
  436   2HD   PRO  60          1HD       PRO  60  63.000 -12.120  -7.886
  437    H    MET  61           H        MET  61  65.422  -7.601  -5.423
  438    HA   MET  61           HA       MET  61  64.469  -5.460  -7.128
  439   1HB   MET  61          2HB       MET  61  64.646  -5.311  -4.700
  440   2HB   MET  61          1HB       MET  61  66.385  -5.569  -4.779
  441   1HG   MET  61          2HG       MET  61  65.557  -3.400  -6.531
  442   2HG   MET  61          1HG       MET  61  65.074  -3.103  -4.862
  443   1HE   MET  61          1HE       MET  61  66.228  -3.440  -3.029
  444   2HE   MET  61          2HE       MET  61  67.261  -2.013  -3.017
  445   3HE   MET  61          3HE       MET  61  67.969  -3.607  -2.769
  446    HA   PRO  62           HA       PRO  62  68.040  -5.428  -9.825
  447   1HB   PRO  62          2HB       PRO  62  67.415  -2.722 -10.581
  448   2HB   PRO  62          1HB       PRO  62  67.106  -4.199 -11.498
  449   1HG   PRO  62          2HG       PRO  62  65.188  -2.520 -10.198
  450   2HG   PRO  62          1HG       PRO  62  64.890  -4.025 -11.073
  451   1HD   PRO  62          2HD       PRO  62  64.777  -3.566  -8.214
  452   2HD   PRO  62          1HD       PRO  62  64.412  -5.066  -9.103
  453    HA   PRO  63           HA       PRO  63  70.812  -3.411  -6.994
  454   1HB   PRO  63          2HB       PRO  63  72.827  -3.137  -9.015
  455   2HB   PRO  63          1HB       PRO  63  72.726  -4.351  -7.740
  456   1HG   PRO  63          2HG       PRO  63  72.276  -4.711 -10.561
  457   2HG   PRO  63          1HG       PRO  63  72.228  -5.928  -9.282
  458   1HD   PRO  63          2HD       PRO  63  70.006  -4.833 -10.744
  459   2HD   PRO  63          1HD       PRO  63  69.952  -6.010  -9.409
  460    H    ASN  64           H        ASN  64  71.299  -1.234  -6.531
  461    HA   ASN  64           HA       ASN  64  70.630   0.743  -8.684
  462   1HB   ASN  64          2HB       ASN  64  70.475   0.874  -5.655
  463   2HB   ASN  64          1HB       ASN  64  70.023   2.189  -6.744
  464   1HD2  ASN  64          1HD2      ASN  64  69.284  -1.317  -6.253
  465   2HD2  ASN  64          2HD2      ASN  64  67.636  -1.172  -6.666
  466    H    ALA  65           H        ALA  65  71.885   2.783  -8.612
  467    HA   ALA  65           HA       ALA  65  74.735   2.271  -8.020
  468   1HB   ALA  65          1HB       ALA  65  74.862   3.489  -9.919
  469   2HB   ALA  65          2HB       ALA  65  74.269   4.888  -9.023
  470   3HB   ALA  65          3HB       ALA  65  73.132   3.821  -9.847
  471    H    VAL  66           H        VAL  66  72.873   2.627  -5.766
  472    HA   VAL  66           HA       VAL  66  73.298   5.324  -4.693
  473    HB   VAL  66           HB       VAL  66  72.202   4.249  -2.691
  474   1HG1  VAL  66          1HG1      VAL  66  70.581   5.140  -4.075
  475   2HG1  VAL  66          2HG1      VAL  66  70.136   3.437  -4.166
  476   3HG1  VAL  66          3HG1      VAL  66  71.080   4.171  -5.461
  477   1HG2  VAL  66          1HG2      VAL  66  72.349   2.013  -2.465
  478   2HG2  VAL  66          2HG2      VAL  66  73.125   1.886  -4.043
  479   3HG2  VAL  66          3HG2      VAL  66  71.368   1.819  -3.917
  480    H    SER  67           H        SER  67  75.344   5.859  -3.954
  481    HA   SER  67           HA       SER  67  77.490   4.136  -3.416
  482   1HB   SER  67          2HB       SER  67  76.934   6.639  -1.820
  483   2HB   SER  67          1HB       SER  67  78.478   6.054  -2.435
  484    HG   SER  67           HG       SER  67  77.414   6.342  -4.581
  485    H    ASP  68           H        ASP  68  78.436   4.114  -0.951
  486    HA   ASP  68           HA       ASP  68  76.726   2.320   0.525
  487   1HB   ASP  68          2HB       ASP  68  79.114   2.134   0.684
  488   2HB   ASP  68          1HB       ASP  68  79.281   3.833   1.126
  489    H    ASP  69           H        ASP  69  77.929   5.582   1.421
  490    HA   ASP  69           HA       ASP  69  76.311   5.999   3.686
  491   1HB   ASP  69          2HB       ASP  69  78.015   7.462   1.913
  492   2HB   ASP  69          1HB       ASP  69  76.561   8.424   2.179
  493    H    GLU  70           H        GLU  70  75.521   6.336   0.254
  494    HA   GLU  70           HA       GLU  70  73.003   7.683   0.585
  495   1HB   GLU  70          2HB       GLU  70  74.427   6.086  -1.514
  496   2HB   GLU  70          1HB       GLU  70  72.722   6.470  -1.761
  497   1HG   GLU  70          2HG       GLU  70  74.735   8.590  -1.004
  498   2HG   GLU  70          1HG       GLU  70  74.431   8.154  -2.686
  499    H    ALA  71           H        ALA  71  73.782   4.233   0.065
  500    HA   ALA  71           HA       ALA  71  71.084   3.278   0.284
  501   1HB   ALA  71          1HB       ALA  71  72.179   1.117   0.450
  502   2HB   ALA  71          2HB       ALA  71  73.677   1.866   1.001
  503   3HB   ALA  71          3HB       ALA  71  73.127   2.109  -0.658
  504    H    GLN  72           H        GLN  72  73.425   4.305   2.646
  505    HA   GLN  72           HA       GLN  72  72.315   2.894   4.925
  506   1HB   GLN  72          2HB       GLN  72  74.578   4.350   4.343
  507   2HB   GLN  72          1HB       GLN  72  73.671   5.482   5.348
  508   1HG   GLN  72          2HG       GLN  72  73.556   2.801   6.453
  509   2HG   GLN  72          1HG       GLN  72  75.228   3.324   6.246
  510   1HE2  GLN  72          1HE2      GLN  72  76.043   4.668   7.863
  511   2HE2  GLN  72          2HE2      GLN  72  75.087   5.534   8.981
  512    H    THR  73           H        THR  73  71.984   6.175   3.600
  513    HA   THR  73           HA       THR  73  70.007   7.027   5.554
  514    HB   THR  73           HB       THR  73  70.815   8.022   2.797
  515    HG1  THR  73           HG1      THR  73  71.664   9.663   4.535
  516   1HG2  THR  73          1HG2      THR  73  68.574   8.740   4.358
  517   2HG2  THR  73          2HG2      THR  73  69.212   9.591   2.952
  518   3HG2  THR  73          3HG2      THR  73  69.752  10.036   4.570
  519    H    LEU  74           H        LEU  74  69.991   5.223   2.586
  520    HA   LEU  74           HA       LEU  74  67.199   5.637   1.892
  521   1HB   LEU  74          2HB       LEU  74  69.336   3.603   1.189
  522   2HB   LEU  74          1HB       LEU  74  67.726   3.564   0.476
  523    HG   LEU  74           HG       LEU  74  69.429   6.058   0.425
  524   1HD1  LEU  74          1HD1      LEU  74  69.805   3.586  -1.041
  525   2HD1  LEU  74          2HD1      LEU  74  70.781   5.054  -1.072
  526   3HD1  LEU  74          3HD1      LEU  74  69.386   4.900  -2.141
  527   1HD2  LEU  74          1HD2      LEU  74  67.294   6.713  -0.162
  528   2HD2  LEU  74          2HD2      LEU  74  66.860   5.120  -0.776
  529   3HD2  LEU  74          3HD2      LEU  74  67.872   6.191  -1.744
  530    H    ALA  75           H        ALA  75  69.012   3.255   3.810
  531    HA   ALA  75           HA       ALA  75  66.765   1.485   4.289
  532   1HB   ALA  75          1HB       ALA  75  69.533   1.581   4.746
  533   2HB   ALA  75          2HB       ALA  75  68.447   0.271   5.210
  534   3HB   ALA  75          3HB       ALA  75  68.817   1.557   6.358
  535    H    LYS  76           H        LYS  76  68.376   4.000   6.268
  536    HA   LYS  76           HA       LYS  76  66.547   3.935   8.466
  537   1HB   LYS  76          2HB       LYS  76  68.400   5.999   7.251
  538   2HB   LYS  76          1HB       LYS  76  67.477   6.337   8.714
  539   1HG   LYS  76          2HG       LYS  76  68.558   3.860   9.265
  540   2HG   LYS  76          1HG       LYS  76  69.851   4.646   8.355
  541   1HD   LYS  76          2HD       LYS  76  68.818   6.598  10.128
  542   2HD   LYS  76          1HD       LYS  76  69.025   5.123  11.072
  543   1HE   LYS  76          2HE       LYS  76  71.338   5.204   9.530
  544   2HE   LYS  76          1HE       LYS  76  71.068   6.903   9.966
  545   1HZ   LYS  76          1HZ       LYS  76  71.982   6.260  11.911
  546   2HZ   LYS  76          2HZ       LYS  76  71.610   4.618  11.680
  547   3HZ   LYS  76          3HZ       LYS  76  70.420   5.691  12.245
  548    H    TRP  77           H        TRP  77  66.371   5.310   5.270
  549    HA   TRP  77           HA       TRP  77  64.236   7.212   5.795
  550   1HB   TRP  77          2HB       TRP  77  65.764   7.484   3.934
  551   2HB   TRP  77          1HB       TRP  77  65.367   5.877   3.316
  552    HD1  TRP  77           HD1      TRP  77  63.403   9.106   4.198
  553    HE1  TRP  77           HE1      TRP  77  61.606   9.457   2.384
  554    HE3  TRP  77           HE3      TRP  77  64.256   4.991   1.300
  555    HZ2  TRP  77           HZ2      TRP  77  60.655   8.167   0.018
  556    HZ3  TRP  77           HZ3      TRP  77  62.891   4.578  -0.727
  557    HH2  TRP  77           HH2      TRP  77  61.093   6.162  -1.370
  558    H    ILE  78           H        ILE  78  64.400   3.878   4.525
  559    HA   ILE  78           HA       ILE  78  61.643   3.563   3.867
  560    HB   ILE  78           HB       ILE  78  63.822   1.675   4.808
  561   1HG1  ILE  78          2HG1      ILE  78  62.606   1.785   2.059
  562   2HG1  ILE  78          1HG1      ILE  78  63.819   2.980   2.517
  563   1HG2  ILE  78          1HG2      ILE  78  60.965   1.157   4.031
  564   2HG2  ILE  78          2HG2      ILE  78  61.915   0.426   5.325
  565   3HG2  ILE  78          3HG2      ILE  78  62.205  -0.037   3.648
  566   1HD1  ILE  78          1HD1      ILE  78  64.196  -0.018   2.753
  567   2HD1  ILE  78          2HD1      ILE  78  65.413   1.223   3.048
  568   3HD1  ILE  78          3HD1      ILE  78  64.801   0.960   1.416
  569    H    LEU  79           H        LEU  79  63.415   2.985   6.910
  570    HA   LEU  79           HA       LEU  79  61.079   2.045   8.368
  571   1HB   LEU  79          2HB       LEU  79  63.877   2.966   9.046
  572   2HB   LEU  79          1HB       LEU  79  62.735   2.491  10.304
  573    HG   LEU  79           HG       LEU  79  62.588   0.480   8.331
  574   1HD1  LEU  79          1HD1      LEU  79  64.626   0.853   7.295
  575   2HD1  LEU  79          2HD1      LEU  79  65.146  -0.182   8.625
  576   3HD1  LEU  79          3HD1      LEU  79  65.346   1.565   8.738
  577   1HD2  LEU  79          1HD2      LEU  79  62.910   0.753  11.106
  578   2HD2  LEU  79          2HD2      LEU  79  64.306  -0.187  10.580
  579   3HD2  LEU  79          3HD2      LEU  79  62.676  -0.754  10.220
  580    H    SER  80           H        SER  80  62.201   5.160   7.442
  581    HA   SER  80           HA       SER  80  60.794   6.507   9.697
  582   1HB   SER  80          2HB       SER  80  62.610   7.829   9.446
  583   2HB   SER  80          1HB       SER  80  63.058   7.004   7.957
  584    HG   SER  80           HG       SER  80  61.983   8.463   6.809
  585    H    GLN  81           H        GLN  81  60.330   5.626   6.390
  586    HA   GLN  81           HA       GLN  81  58.758   7.676   5.311
  587   1HB   GLN  81          2HB       GLN  81  58.780   4.674   5.146
  588   2HB   GLN  81          1HB       GLN  81  57.542   5.579   4.274
  589   1HG   GLN  81          2HG       GLN  81  60.544   5.921   4.003
  590   2HG   GLN  81          1HG       GLN  81  59.456   5.225   2.802
  591   1HE2  GLN  81          1HE2      GLN  81  60.527   8.249   4.278
  592   2HE2  GLN  81          2HE2      GLN  81  59.710   9.279   3.190
  593    H    LYS  82           H        LYS  82  57.465   8.680   6.965
  594    HA   LYS  82           HA       LYS  82  55.633   8.890   8.462
  595   1HB   LYS  82          2HB       LYS  82  54.531   7.059   6.302
  596   2HB   LYS  82          1HB       LYS  82  53.571   8.091   7.363
  597   1HG   LYS  82          2HG       LYS  82  55.757   9.243   5.633
  598   2HG   LYS  82          1HG       LYS  82  54.129   8.993   5.001
  599   1HD   LYS  82          2HD       LYS  82  53.321  10.276   7.091
  600   2HD   LYS  82          1HD       LYS  82  54.999  10.786   7.268
  601   1HE   LYS  82          2HE       LYS  82  54.388  12.492   5.868
  602   2HE   LYS  82          1HE       LYS  82  54.536  11.273   4.588
  603   1HZ   LYS  82          1HZ       LYS  82  52.339  12.253   4.528
  604   2HZ   LYS  82          2HZ       LYS  82  52.088  11.875   6.165
  605   3HZ   LYS  82          3HZ       LYS  82  52.223  10.632   5.015
  606    HHA  HEM  83           HHA      HEM  83  63.397  -5.167  -1.540
  607    HHB  HEM  83           HHB      HEM  83  65.400   0.797  -0.394
  608    HHC  HEM  83           HHC      HEM  83  64.757   1.924  -6.618
  609    HHD  HEM  83           HHD      HEM  83  61.424  -3.411  -7.201
  610   1HMA  HEM  83          1HMA      HEM  83  66.621  -2.086   1.562
  611   2HMA  HEM  83          2HMA      HEM  83  65.020  -1.598   2.117
  612   3HMA  HEM  83          3HMA      HEM  83  66.037  -0.453   1.242
  613   1HAA  HEM  83          1HAA      HEM  83  64.476  -5.061   0.743
  614   2HAA  HEM  83          2HAA      HEM  83  66.056  -4.347   1.055
  615   1HBA  HEM  83          1HBA      HEM  83  66.417  -4.831  -1.531
  616   2HBA  HEM  83          2HBA      HEM  83  65.152  -6.030  -1.261
  617    H2A  HEM  83          3HBB      HEM  83  67.957   2.239  -4.901
  618   1HMB  HEM  83          1HMB      HEM  83  66.868   2.543  -1.037
  619   2HMB  HEM  83          2HMB      HEM  83  65.483   3.616  -1.245
  620   3HMB  HEM  83          3HMB      HEM  83  66.911   3.811  -2.262
  621    HAB  HEM  83           HAB      HEM  83  65.649   3.387  -5.946
  622   1HBB  HEM  83          1HBB      HEM  83  68.215   3.978  -4.744
  623   2HBB  HEM  83          2HBB      HEM  83  67.846   3.280  -6.321
  624   1HMC  HEM  83          1HMC      HEM  83  63.974   0.389  -9.918
  625   2HMC  HEM  83          2HMC      HEM  83  64.631   1.516  -8.732
  626   3HMC  HEM  83          3HMC      HEM  83  62.934   1.620  -9.201
  627    HAC  HEM  83           HAC      HEM  83  61.134  -2.453  -8.767
  628   1HBC  HEM  83          1HBC      HEM  83  62.778  -0.811 -10.699
  629   2HBC  HEM  83          2HBC      HEM  83  61.486  -1.916 -11.166
  630   1HMD  HEM  83          1HMD      HEM  83  60.896  -5.325  -7.033
  631   2HMD  HEM  83          2HMD      HEM  83  59.894  -5.856  -5.682
  632   3HMD  HEM  83          3HMD      HEM  83  61.308  -6.800  -6.158
  633   1HAD  HEM  83          1HAD      HEM  83  63.348  -6.979  -2.987
  634   2HAD  HEM  83          2HAD      HEM  83  62.312  -7.504  -4.309
  635   1HBD  HEM  83          1HBD      HEM  83  60.872  -6.274  -2.052
  636   2HBD  HEM  83          2HBD      HEM  83  61.703  -7.780  -1.660
  637    H2D  HEM  83          3HBC      HEM  83  62.937  -2.538 -10.381
  Start of MODEL    9
    1   1H    GLU   1          1H        GLU   1  69.582  18.065   1.420
    2   2H    GLU   1          2H        GLU   1  68.357  18.286   0.263
    3   3H    GLU   1          3H        GLU   1  69.967  18.679  -0.114
    4    HA   GLU   1           HA       GLU   1  69.295  16.558  -1.132
    5   1HB   GLU   1          2HB       GLU   1  71.428  16.881   0.960
    6   2HB   GLU   1          1HB       GLU   1  71.262  15.329   0.137
    7   1HG   GLU   1          2HG       GLU   1  72.386  16.164  -1.621
    8   2HG   GLU   1          1HG       GLU   1  71.102  17.350  -1.856
    9    H    ASP   2           H        ASP   2  67.219  16.857   0.881
   10    HA   ASP   2           HA       ASP   2  67.158  14.977   2.959
   11   1HB   ASP   2          2HB       ASP   2  65.205  16.247   1.096
   12   2HB   ASP   2          1HB       ASP   2  64.623  14.870   2.033
   13    HA   PRO   3           HA       PRO   3  67.407  10.976   1.153
   14   1HB   PRO   3          2HB       PRO   3  65.239   9.899   2.707
   15   2HB   PRO   3          1HB       PRO   3  66.973   9.736   3.003
   16   1HG   PRO   3          2HG       PRO   3  65.070  11.314   4.472
   17   2HG   PRO   3          1HG       PRO   3  66.799  11.127   4.780
   18   1HD   PRO   3          2HD       PRO   3  65.439  13.448   3.754
   19   2HD   PRO   3          1HD       PRO   3  67.189  13.240   4.014
   20    H    GLU   4           H        GLU   4  64.296  12.596   1.381
   21    HA   GLU   4           HA       GLU   4  62.820  10.845  -0.385
   22   1HB   GLU   4          2HB       GLU   4  61.619  12.315   1.057
   23   2HB   GLU   4          1HB       GLU   4  62.585  13.708   0.567
   24   1HG   GLU   4          2HG       GLU   4  61.167  14.163  -1.119
   25   2HG   GLU   4          1HG       GLU   4  61.332  12.523  -1.749
   26    H    VAL   5           H        VAL   5  64.795  13.761  -0.850
   27    HA   VAL   5           HA       VAL   5  64.249  14.185  -3.623
   28    HB   VAL   5           HB       VAL   5  66.594  14.773  -1.800
   29   1HG1  VAL   5          1HG1      VAL   5  66.161  15.388  -4.712
   30   2HG1  VAL   5          2HG1      VAL   5  67.641  14.891  -3.889
   31   3HG1  VAL   5          3HG1      VAL   5  67.035  16.536  -3.697
   32   1HG2  VAL   5          1HG2      VAL   5  65.270  17.097  -2.720
   33   2HG2  VAL   5          2HG2      VAL   5  65.213  16.410  -1.097
   34   3HG2  VAL   5          3HG2      VAL   5  64.001  15.949  -2.293
   35    H    LEU   6           H        LEU   6  66.930  12.434  -2.028
   36    HA   LEU   6           HA       LEU   6  68.020  11.441  -4.529
   37   1HB   LEU   6          2HB       LEU   6  69.600  10.410  -3.116
   38   2HB   LEU   6          1HB       LEU   6  69.080  11.796  -2.161
   39    HG   LEU   6           HG       LEU   6  67.289  10.149  -1.204
   40   1HD1  LEU   6          1HD1      LEU   6  67.399   8.120  -2.220
   41   2HD1  LEU   6          2HD1      LEU   6  68.792   7.847  -1.173
   42   3HD1  LEU   6          3HD1      LEU   6  69.029   8.414  -2.826
   43   1HD2  LEU   6          1HD2      LEU   6  68.706   9.736   0.629
   44   2HD2  LEU   6          2HD2      LEU   6  69.457  11.138  -0.132
   45   3HD2  LEU   6          3HD2      LEU   6  70.126   9.528  -0.397
   46    H    ALA   7           H        ALA   7  65.466  10.467  -2.411
   47    HA   ALA   7           HA       ALA   7  65.344   7.660  -2.999
   48   1HB   ALA   7          1HB       ALA   7  62.770   8.421  -2.492
   49   2HB   ALA   7          2HB       ALA   7  63.652   9.808  -1.854
   50   3HB   ALA   7          3HB       ALA   7  63.983   8.191  -1.233
   51    H    LYS   8           H        LYS   8  63.985  10.534  -4.590
   52    HA   LYS   8           HA       LYS   8  62.550   8.936  -6.602
   53   1HB   LYS   8          2HB       LYS   8  62.637  11.628  -5.579
   54   2HB   LYS   8          1HB       LYS   8  62.808  11.673  -7.334
   55   1HG   LYS   8          2HG       LYS   8  60.728  10.706  -7.702
   56   2HG   LYS   8          1HG       LYS   8  60.716   9.892  -6.136
   57   1HD   LYS   8          2HD       LYS   8  60.281  11.961  -4.978
   58   2HD   LYS   8          1HD       LYS   8  60.537  12.899  -6.449
   59   1HE   LYS   8          2HE       LYS   8  58.431  12.474  -7.227
   60   2HE   LYS   8          1HE       LYS   8  58.474  10.785  -6.683
   61   1HZ   LYS   8          1HZ       LYS   8  57.878  13.213  -5.111
   62   2HZ   LYS   8          2HZ       LYS   8  58.459  11.810  -4.346
   63   3HZ   LYS   8          3HZ       LYS   8  56.996  11.767  -5.208
   64    H    ASN   9           H        ASN   9  65.508  10.900  -6.411
   65    HA   ASN   9           HA       ASN   9  66.219  10.915  -9.163
   66   1HB   ASN   9          2HB       ASN   9  68.084  10.733  -6.783
   67   2HB   ASN   9          1HB       ASN   9  68.380  11.550  -8.318
   68   1HD2  ASN   9          1HD2      ASN   9  65.355  12.431  -8.122
   69   2HD2  ASN   9          2HD2      ASN   9  65.429  13.776  -7.081
   70    H    LYS  10           H        LYS  10  66.774   8.451  -6.648
   71    HA   LYS  10           HA       LYS  10  68.422   6.811  -8.462
   72   1HB   LYS  10          2HB       LYS  10  67.270   6.280  -5.705
   73   2HB   LYS  10          1HB       LYS  10  68.566   5.366  -6.483
   74   1HG   LYS  10          2HG       LYS  10  68.675   8.317  -5.779
   75   2HG   LYS  10          1HG       LYS  10  69.472   7.022  -4.884
   76   1HD   LYS  10          2HD       LYS  10  70.633   6.405  -7.074
   77   2HD   LYS  10          1HD       LYS  10  70.037   7.939  -7.710
   78   1HE   LYS  10          2HE       LYS  10  71.644   7.751  -5.143
   79   2HE   LYS  10          1HE       LYS  10  72.381   8.050  -6.729
   80   1HZ   LYS  10          1HZ       LYS  10  70.097   9.625  -5.679
   81   2HZ   LYS  10          2HZ       LYS  10  71.059   9.970  -7.037
   82   3HZ   LYS  10          3HZ       LYS  10  71.712  10.100  -5.474
   83    H    GLY  11           H        GLY  11  65.085   7.203  -7.753
   84   1HA   GLY  11          2HA       GLY  11  63.356   6.115  -9.038
   85   2HA   GLY  11          1HA       GLY  11  64.474   4.792  -9.371
   86    H    CYS  12           H        CYS  12  64.597   5.718  -6.107
   87    HA   CYS  12           HA       CYS  12  63.619   3.203  -5.157
   88   1HB   CYS  12          2HB       CYS  12  63.707   5.821  -3.641
   89   2HB   CYS  12          1HB       CYS  12  63.900   4.198  -2.986
   90    H    MET  13           H        MET  13  62.059   6.380  -5.485
   91    HA   MET  13           HA       MET  13  59.561   5.483  -4.254
   92   1HB   MET  13          2HB       MET  13  60.689   7.928  -5.560
   93   2HB   MET  13          1HB       MET  13  58.934   7.810  -5.387
   94   1HG   MET  13          2HG       MET  13  59.927   6.971  -2.914
   95   2HG   MET  13          1HG       MET  13  60.956   8.334  -3.356
   96   1HE   MET  13          1HE       MET  13  58.300   7.002  -1.830
   97   2HE   MET  13          2HE       MET  13  56.895   8.063  -1.787
   98   3HE   MET  13          3HE       MET  13  58.302   8.438  -0.796
   99    H    ALA  14           H        ALA  14  60.887   4.709  -7.183
  100    HA   ALA  14           HA       ALA  14  58.506   5.093  -8.858
  101   1HB   ALA  14          1HB       ALA  14  60.649   5.295  -9.897
  102   2HB   ALA  14          2HB       ALA  14  59.997   3.756 -10.459
  103   3HB   ALA  14          3HB       ALA  14  61.212   3.785  -9.181
  104    H    CYS  15           H        CYS  15  60.219   2.356  -7.354
  105    HA   CYS  15           HA       CYS  15  58.025   0.506  -8.147
  106   1HB   CYS  15          2HB       CYS  15  60.803   0.263  -6.987
  107   2HB   CYS  15          1HB       CYS  15  59.708  -1.117  -7.025
  108    H    HIS  16           H        HIS  16  59.315   2.194  -5.364
  109    HA   HIS  16           HA       HIS  16  57.717   0.499  -3.506
  110   1HB   HIS  16          2HB       HIS  16  60.067   2.341  -3.361
  111   2HB   HIS  16          1HB       HIS  16  59.109   2.096  -1.900
  112    HD1  HIS  16           HD1      HIS  16  58.628  -0.617  -1.417
  113    HD2  HIS  16           HD2      HIS  16  61.993   0.397  -3.671
  114    HE1  HIS  16           HE1      HIS  16  60.181  -2.614  -1.326
  115    H    ALA  17           H        ALA  17  57.095   1.979  -1.506
  116    HA   ALA  17           HA       ALA  17  55.967   4.604  -2.131
  117   1HB   ALA  17          1HB       ALA  17  54.420   2.839  -3.150
  118   2HB   ALA  17          2HB       ALA  17  53.654   3.915  -1.982
  119   3HB   ALA  17          3HB       ALA  17  54.114   2.282  -1.505
  120    H    ILE  18           H        ILE  18  54.274   4.910  -0.002
  121    HA   ILE  18           HA       ILE  18  56.097   4.522   2.291
  122    HB   ILE  18           HB       ILE  18  53.341   5.793   2.142
  123   1HG1  ILE  18          2HG1      ILE  18  54.931   6.684   0.415
  124   2HG1  ILE  18          1HG1      ILE  18  54.475   7.884   1.625
  125   1HG2  ILE  18          1HG2      ILE  18  55.687   5.983   4.040
  126   2HG2  ILE  18          2HG2      ILE  18  54.018   5.554   4.415
  127   3HG2  ILE  18          3HG2      ILE  18  54.428   7.215   3.985
  128   1HD1  ILE  18          1HD1      ILE  18  56.555   7.576   2.816
  129   2HD1  ILE  18          2HD1      ILE  18  56.948   7.821   1.115
  130   3HD1  ILE  18          3HD1      ILE  18  56.987   6.198   1.804
  131    H    ASP  19           H        ASP  19  52.544   4.042   2.028
  132    HA   ASP  19           HA       ASP  19  52.881   1.613   3.755
  133   1HB   ASP  19          2HB       ASP  19  51.408   3.875   4.144
  134   2HB   ASP  19          1HB       ASP  19  50.216   2.853   3.339
  135    H    THR  20           H        THR  20  51.845   2.755   0.644
  136    HA   THR  20           HA       THR  20  50.060   0.569  -0.024
  137    HB   THR  20           HB       THR  20  50.787   1.496  -2.400
  138    HG1  THR  20           HG1      THR  20  51.374   3.850  -1.672
  139   1HG2  THR  20          1HG2      THR  20  48.779   2.066  -0.636
  140   2HG2  THR  20          2HG2      THR  20  48.914   2.768  -2.248
  141   3HG2  THR  20          3HG2      THR  20  49.515   3.655  -0.847
  142    H    LYS  21           H        LYS  21  50.957  -0.517  -2.363
  143    HA   LYS  21           HA       LYS  21  53.702  -1.545  -1.943
  144   1HB   LYS  21          2HB       LYS  21  52.883  -3.863  -1.874
  145   2HB   LYS  21          1HB       LYS  21  52.151  -2.923  -0.572
  146   1HG   LYS  21          2HG       LYS  21  50.277  -2.472  -2.389
  147   2HG   LYS  21          1HG       LYS  21  50.905  -3.964  -3.090
  148   1HD   LYS  21          2HD       LYS  21  50.730  -4.589  -0.404
  149   2HD   LYS  21          1HD       LYS  21  49.311  -3.574  -0.658
  150   1HE   LYS  21          2HE       LYS  21  48.485  -5.007  -2.407
  151   2HE   LYS  21          1HE       LYS  21  50.012  -5.910  -2.466
  152   1HZ   LYS  21          1HZ       LYS  21  48.640  -7.189  -1.092
  153   2HZ   LYS  21          2HZ       LYS  21  48.009  -5.832  -0.288
  154   3HZ   LYS  21          3HZ       LYS  21  49.610  -6.322  -0.004
  155    H    MET  22           H        MET  22  54.076  -0.479  -4.026
  156    HA   MET  22           HA       MET  22  52.521  -1.283  -6.373
  157   1HB   MET  22          2HB       MET  22  54.896   0.439  -5.722
  158   2HB   MET  22          1HB       MET  22  54.596   0.004  -7.407
  159   1HG   MET  22          2HG       MET  22  52.122   0.743  -6.823
  160   2HG   MET  22          1HG       MET  22  52.926   1.663  -5.552
  161   1HE   MET  22          1HE       MET  22  55.409   3.885  -7.302
  162   2HE   MET  22          2HE       MET  22  55.236   2.650  -6.056
  163   3HE   MET  22          3HE       MET  22  54.164   4.049  -6.055
  164    H    VAL  23           H        VAL  23  55.939  -1.241  -6.861
  165    HA   VAL  23           HA       VAL  23  55.887  -4.017  -7.812
  166    HB   VAL  23           HB       VAL  23  58.202  -2.071  -7.602
  167   1HG1  VAL  23          1HG1      VAL  23  58.213  -4.674  -8.365
  168   2HG1  VAL  23          2HG1      VAL  23  59.304  -3.466  -9.043
  169   3HG1  VAL  23          3HG1      VAL  23  57.830  -3.906  -9.905
  170   1HG2  VAL  23          1HG2      VAL  23  57.480  -1.546 -10.030
  171   2HG2  VAL  23          2HG2      VAL  23  56.533  -0.819  -8.732
  172   3HG2  VAL  23          3HG2      VAL  23  55.922  -2.240  -9.578
  173    H    GLY  24           H        GLY  24  57.125  -2.215  -5.057
  174   1HA   GLY  24          2HA       GLY  24  58.187  -4.785  -3.942
  175   2HA   GLY  24          1HA       GLY  24  58.951  -3.223  -3.617
  176    HA   PRO  25           HA       PRO  25  55.588  -4.315  -0.445
  177   1HB   PRO  25          2HB       PRO  25  57.631  -4.301   1.582
  178   2HB   PRO  25          1HB       PRO  25  56.639  -5.662   1.050
  179   1HG   PRO  25          2HG       PRO  25  59.428  -5.276   0.593
  180   2HG   PRO  25          1HG       PRO  25  58.408  -6.579  -0.023
  181   1HD   PRO  25          2HD       PRO  25  59.533  -4.323  -1.480
  182   2HD   PRO  25          1HD       PRO  25  58.631  -5.715  -2.122
  183    H    ALA  26           H        ALA  26  54.704  -2.603   0.803
  184    HA   ALA  26           HA       ALA  26  55.356   0.050   0.378
  185   1HB   ALA  26          1HB       ALA  26  53.829   0.454   2.070
  186   2HB   ALA  26          2HB       ALA  26  54.543  -0.749   3.141
  187   3HB   ALA  26          3HB       ALA  26  53.507  -1.260   1.810
  188    H    TYR  27           H        TYR  27  56.459   1.639   1.840
  189    HA   TYR  27           HA       TYR  27  59.104   0.682   2.605
  190   1HB   TYR  27          2HB       TYR  27  57.588   3.248   2.412
  191   2HB   TYR  27          1HB       TYR  27  59.013   3.240   3.445
  192    HD1  TYR  27           HD1      TYR  27  60.705   1.232   1.951
  193    HD2  TYR  27           HD2      TYR  27  58.326   4.525   0.553
  194    HE1  TYR  27           HE1      TYR  27  62.149   1.431  -0.051
  195    HE2  TYR  27           HE2      TYR  27  59.774   4.723  -1.447
  196    HH   TYR  27           HH       TYR  27  62.726   2.847  -1.771
  197    H    LYS  28           H        LYS  28  56.568   2.420   4.452
  198    HA   LYS  28           HA       LYS  28  57.595   2.031   7.032
  199   1HB   LYS  28          2HB       LYS  28  55.373   3.129   5.895
  200   2HB   LYS  28          1HB       LYS  28  54.668   1.709   6.668
  201   1HG   LYS  28          2HG       LYS  28  56.560   3.501   8.179
  202   2HG   LYS  28          1HG       LYS  28  54.846   3.896   8.057
  203   1HD   LYS  28          2HD       LYS  28  54.815   1.206   8.715
  204   2HD   LYS  28          1HD       LYS  28  56.168   1.830   9.660
  205   1HE   LYS  28          2HE       LYS  28  54.684   3.645  10.531
  206   2HE   LYS  28          1HE       LYS  28  53.324   2.902   9.665
  207   1HZ   LYS  28          1HZ       LYS  28  54.838   1.891  11.961
  208   2HZ   LYS  28          2HZ       LYS  28  54.266   0.760  10.829
  209   3HZ   LYS  28          3HZ       LYS  28  53.177   1.786  11.634
  210    H    ASP  29           H        ASP  29  55.671  -0.181   5.029
  211    HA   ASP  29           HA       ASP  29  55.214  -2.216   6.988
  212   1HB   ASP  29          2HB       ASP  29  55.452  -2.106   3.982
  213   2HB   ASP  29          1HB       ASP  29  55.158  -3.637   4.804
  214    H    VAL  30           H        VAL  30  57.848  -1.812   4.599
  215    HA   VAL  30           HA       VAL  30  59.330  -4.142   5.109
  216    HB   VAL  30           HB       VAL  30  60.161  -1.295   4.474
  217   1HG1  VAL  30          1HG1      VAL  30  62.278  -1.996   4.855
  218   2HG1  VAL  30          2HG1      VAL  30  62.080  -3.010   3.426
  219   3HG1  VAL  30          3HG1      VAL  30  61.770  -3.675   5.030
  220   1HG2  VAL  30          1HG2      VAL  30  59.806  -1.835   2.270
  221   2HG2  VAL  30          2HG2      VAL  30  58.662  -2.974   2.980
  222   3HG2  VAL  30          3HG2      VAL  30  60.270  -3.521   2.503
  223    H    ALA  31           H        ALA  31  59.249  -1.093   6.920
  224    HA   ALA  31           HA       ALA  31  61.320  -1.994   8.808
  225   1HB   ALA  31          1HB       ALA  31  59.466   0.357   9.136
  226   2HB   ALA  31          2HB       ALA  31  60.742   0.389   7.918
  227   3HB   ALA  31          3HB       ALA  31  61.155   0.211   9.624
  228    H    ALA  32           H        ALA  32  57.859  -2.099   8.541
  229    HA   ALA  32           HA       ALA  32  57.267  -2.334  11.371
  230   1HB   ALA  32          1HB       ALA  32  55.049  -2.889  10.536
  231   2HB   ALA  32          2HB       ALA  32  55.705  -3.276   8.946
  232   3HB   ALA  32          3HB       ALA  32  55.716  -1.610   9.522
  233    H    LYS  33           H        LYS  33  58.243  -4.557   8.842
  234    HA   LYS  33           HA       LYS  33  57.520  -6.946  10.402
  235   1HB   LYS  33          2HB       LYS  33  57.255  -7.113   8.046
  236   2HB   LYS  33          1HB       LYS  33  58.824  -6.360   7.739
  237   1HG   LYS  33          2HG       LYS  33  58.888  -8.819   7.377
  238   2HG   LYS  33          1HG       LYS  33  59.973  -8.314   8.673
  239   1HD   LYS  33          2HD       LYS  33  58.865 -10.152   9.623
  240   2HD   LYS  33          1HD       LYS  33  57.937  -8.783  10.235
  241   1HE   LYS  33          2HE       LYS  33  56.229  -9.097   8.530
  242   2HE   LYS  33          1HE       LYS  33  57.196 -10.360   7.743
  243   1HZ   LYS  33          1HZ       LYS  33  55.632 -10.490  10.179
  244   2HZ   LYS  33          2HZ       LYS  33  57.173 -11.198  10.290
  245   3HZ   LYS  33          3HZ       LYS  33  56.073 -11.729   9.108
  246    H    TYR  34           H        TYR  34  60.531  -5.386   9.233
  247    HA   TYR  34           HA       TYR  34  62.245  -7.207  10.738
  248   1HB   TYR  34          2HB       TYR  34  62.620  -4.616   9.216
  249   2HB   TYR  34          1HB       TYR  34  63.969  -5.451   9.998
  250    HD1  TYR  34           HD1      TYR  34  63.193  -8.292   9.572
  251    HD2  TYR  34           HD2      TYR  34  63.033  -4.926   6.908
  252    HE1  TYR  34           HE1      TYR  34  63.371  -9.821   7.629
  253    HE2  TYR  34           HE2      TYR  34  63.212  -6.456   4.966
  254    HH   TYR  34           HH       TYR  34  63.026  -8.645   4.327
  255    H    ALA  35           H        ALA  35  60.430  -4.411  11.529
  256    HA   ALA  35           HA       ALA  35  61.884  -2.933  13.354
  257   1HB   ALA  35          1HB       ALA  35  59.158  -3.577  12.793
  258   2HB   ALA  35          2HB       ALA  35  59.781  -2.163  13.643
  259   3HB   ALA  35          3HB       ALA  35  59.365  -3.622  14.544
  260    H    GLY  36           H        GLY  36  63.364  -3.801  14.782
  261   1HA   GLY  36          2HA       GLY  36  63.328  -4.740  17.154
  262   2HA   GLY  36          1HA       GLY  36  62.458  -6.108  16.457
  263    H    GLN  37           H        GLN  37  65.158  -4.458  14.883
  264    HA   GLN  37           HA       GLN  37  66.798  -6.937  15.303
  265   1HB   GLN  37          2HB       GLN  37  66.047  -5.353  12.879
  266   2HB   GLN  37          1HB       GLN  37  67.642  -6.106  12.911
  267   1HG   GLN  37          2HG       GLN  37  65.908  -8.087  13.871
  268   2HG   GLN  37          1HG       GLN  37  65.041  -7.345  12.525
  269   1HE2  GLN  37          1HE2      GLN  37  65.478  -8.435  10.614
  270   2HE2  GLN  37          2HE2      GLN  37  66.989  -9.100  10.187
  271    H    ALA  38           H        ALA  38  69.004  -6.583  15.707
  272    HA   ALA  38           HA       ALA  38  69.751  -3.843  16.498
  273   1HB   ALA  38          1HB       ALA  38  70.266  -5.540  18.067
  274   2HB   ALA  38          2HB       ALA  38  71.811  -5.199  17.290
  275   3HB   ALA  38          3HB       ALA  38  70.881  -6.622  16.818
  276    H    GLY  39           H        GLY  39  69.523  -3.988  13.694
  277   1HA   GLY  39          2HA       GLY  39  71.565  -2.761  12.531
  278   2HA   GLY  39          1HA       GLY  39  72.300  -4.356  12.696
  279    H    ALA  40           H        ALA  40  68.914  -3.602  11.915
  280    HA   ALA  40           HA       ALA  40  68.999  -5.435   9.635
  281   1HB   ALA  40          1HB       ALA  40  67.060  -5.286  11.112
  282   2HB   ALA  40          2HB       ALA  40  66.592  -4.742   9.502
  283   3HB   ALA  40          3HB       ALA  40  66.903  -3.562  10.776
  284    H    GLU  41           H        GLU  41  69.033  -1.950  10.162
  285    HA   GLU  41           HA       GLU  41  68.501  -1.159   7.438
  286   1HB   GLU  41          2HB       GLU  41  68.237   0.401   9.249
  287   2HB   GLU  41          1HB       GLU  41  69.878   0.106   9.823
  288   1HG   GLU  41          2HG       GLU  41  70.132   0.894   7.123
  289   2HG   GLU  41          1HG       GLU  41  68.972   2.007   7.849
  290    H    ALA  42           H        ALA  42  71.312  -2.367   9.105
  291    HA   ALA  42           HA       ALA  42  73.339  -1.362   7.309
  292   1HB   ALA  42          1HB       ALA  42  74.623  -3.289   8.397
  293   2HB   ALA  42          2HB       ALA  42  73.129  -3.687   9.244
  294   3HB   ALA  42          3HB       ALA  42  73.911  -2.130   9.518
  295    H    TYR  43           H        TYR  43  71.780  -4.585   7.598
  296    HA   TYR  43           HA       TYR  43  72.946  -5.597   5.149
  297   1HB   TYR  43          2HB       TYR  43  72.238  -7.186   6.757
  298   2HB   TYR  43          1HB       TYR  43  70.706  -6.354   7.033
  299    HD1  TYR  43           HD1      TYR  43  72.553  -8.652   4.830
  300    HD2  TYR  43           HD2      TYR  43  68.834  -6.606   5.482
  301    HE1  TYR  43           HE1      TYR  43  71.450 -10.131   3.174
  302    HE2  TYR  43           HE2      TYR  43  67.730  -8.083   3.825
  303    HH   TYR  43           HH       TYR  43  68.346 -10.640   2.945
  304    H    LEU  44           H        LEU  44  70.145  -3.659   5.904
  305    HA   LEU  44           HA       LEU  44  68.718  -4.103   3.415
  306   1HB   LEU  44          2HB       LEU  44  68.732  -2.152   5.700
  307   2HB   LEU  44          1HB       LEU  44  67.854  -1.711   4.231
  308    HG   LEU  44           HG       LEU  44  67.455  -4.420   5.479
  309   1HD1  LEU  44          1HD1      LEU  44  66.827  -3.245   7.362
  310   2HD1  LEU  44          2HD1      LEU  44  65.329  -3.104   6.441
  311   3HD1  LEU  44          3HD1      LEU  44  66.484  -1.772   6.454
  312   1HD2  LEU  44          1HD2      LEU  44  65.294  -4.247   4.351
  313   2HD2  LEU  44          2HD2      LEU  44  66.580  -3.891   3.198
  314   3HD2  LEU  44          3HD2      LEU  44  65.635  -2.577   3.897
  315    H    ALA  45           H        ALA  45  71.299  -1.983   4.524
  316    HA   ALA  45           HA       ALA  45  71.324  -0.262   2.193
  317   1HB   ALA  45          1HB       ALA  45  72.526   0.798   3.797
  318   2HB   ALA  45          2HB       ALA  45  73.859  -0.270   3.358
  319   3HB   ALA  45          3HB       ALA  45  72.783  -0.704   4.685
  320    H    GLN  46           H        GLN  46  72.952  -3.301   3.091
  321    HA   GLN  46           HA       GLN  46  74.762  -3.266   0.809
  322   1HB   GLN  46          2HB       GLN  46  74.428  -4.668   3.194
  323   2HB   GLN  46          1HB       GLN  46  74.082  -5.873   1.952
  324   1HG   GLN  46          2HG       GLN  46  76.244  -4.941   0.808
  325   2HG   GLN  46          1HG       GLN  46  76.611  -4.313   2.414
  326   1HE2  GLN  46          1HE2      GLN  46  77.415  -6.853   0.557
  327   2HE2  GLN  46          2HE2      GLN  46  77.538  -8.082   1.733
  328    H    ARG  47           H        ARG  47  71.579  -4.704   1.461
  329    HA   ARG  47           HA       ARG  47  71.482  -6.140  -1.085
  330   1HB   ARG  47          2HB       ARG  47  69.487  -5.428   1.086
  331   2HB   ARG  47          1HB       ARG  47  69.061  -6.404  -0.320
  332   1HG   ARG  47          2HG       ARG  47  71.516  -7.286   1.043
  333   2HG   ARG  47          1HG       ARG  47  70.062  -7.409   2.032
  334   1HD   ARG  47          2HD       ARG  47  68.996  -8.875   0.502
  335   2HD   ARG  47          1HD       ARG  47  70.114  -8.447  -0.809
  336    HE   ARG  47           HE       ARG  47  70.643 -10.388   1.288
  337   1HH1  ARG  47          1HH1      ARG  47  72.000  -7.983  -0.784
  338   2HH1  ARG  47          2HH1      ARG  47  73.582  -8.686  -0.777
  339   1HH2  ARG  47          1HH2      ARG  47  72.701 -11.315   1.300
  340   2HH2  ARG  47          2HH2      ARG  47  73.979 -10.569   0.399
  341    H    ILE  48           H        ILE  48  70.838  -2.924  -0.008
  342    HA   ILE  48           HA       ILE  48  68.937  -2.250  -2.131
  343    HB   ILE  48           HB       ILE  48  70.500  -0.794   0.003
  344   1HG1  ILE  48          2HG1      ILE  48  67.518  -0.869  -0.495
  345   2HG1  ILE  48          1HG1      ILE  48  68.335  -2.138   0.413
  346   1HG2  ILE  48          1HG2      ILE  48  70.514   0.904  -1.589
  347   2HG2  ILE  48          2HG2      ILE  48  68.947   1.180  -0.826
  348   3HG2  ILE  48          3HG2      ILE  48  69.041   0.327  -2.366
  349   1HD1  ILE  48          1HD1      ILE  48  67.865   0.718   1.144
  350   2HD1  ILE  48          2HD1      ILE  48  69.375  -0.018   1.680
  351   3HD1  ILE  48          3HD1      ILE  48  67.833  -0.722   2.161
  352    H    LYS  49           H        LYS  49  72.440  -1.904  -1.559
  353    HA   LYS  49           HA       LYS  49  72.869  -0.299  -3.965
  354   1HB   LYS  49          2HB       LYS  49  74.302  -0.150  -1.983
  355   2HB   LYS  49          1HB       LYS  49  74.713  -1.861  -2.125
  356   1HG   LYS  49          2HG       LYS  49  75.926  -1.516  -4.135
  357   2HG   LYS  49          1HG       LYS  49  75.234   0.089  -4.372
  358   1HD   LYS  49          2HD       LYS  49  77.330   0.632  -3.517
  359   2HD   LYS  49          1HD       LYS  49  76.364   0.588  -2.041
  360   1HE   LYS  49          2HE       LYS  49  77.048  -1.981  -2.055
  361   2HE   LYS  49          1HE       LYS  49  78.409  -1.374  -3.018
  362   1HZ   LYS  49          1HZ       LYS  49  78.259   0.501  -1.142
  363   2HZ   LYS  49          2HZ       LYS  49  79.244  -0.874  -0.995
  364   3HZ   LYS  49          3HZ       LYS  49  77.721  -0.834  -0.242
  365    H    ASN  50           H        ASN  50  72.978  -3.739  -3.144
  366    HA   ASN  50           HA       ASN  50  73.880  -4.355  -5.935
  367   1HB   ASN  50          2HB       ASN  50  74.361  -5.422  -3.251
  368   2HB   ASN  50          1HB       ASN  50  73.919  -6.683  -4.402
  369   1HD2  ASN  50          1HD2      ASN  50  76.539  -4.846  -3.268
  370   2HD2  ASN  50          2HD2      ASN  50  77.613  -5.125  -4.563
  371    H    GLY  51           H        GLY  51  71.108  -4.182  -4.049
  372   1HA   GLY  51          2HA       GLY  51  68.928  -5.027  -4.321
  373   2HA   GLY  51          1HA       GLY  51  69.394  -5.327  -5.996
  374    H    SER  52           H        SER  52  67.712  -7.192  -4.699
  375    HA   SER  52           HA       SER  52  69.144  -9.642  -5.127
  376   1HB   SER  52          2HB       SER  52  69.746  -8.276  -2.694
  377   2HB   SER  52          1HB       SER  52  68.893  -9.761  -2.282
  378    HG   SER  52           HG       SER  52  71.384  -9.375  -3.397
  379    H    GLN  53           H        GLN  53  67.952 -11.589  -4.359
  380    HA   GLN  53           HA       GLN  53  65.036 -11.011  -4.001
  381   1HB   GLN  53          2HB       GLN  53  64.706 -12.629  -5.580
  382   2HB   GLN  53          1HB       GLN  53  66.418 -12.439  -5.927
  383   1HG   GLN  53          2HG       GLN  53  65.182 -14.492  -4.068
  384   2HG   GLN  53          1HG       GLN  53  65.920 -14.798  -5.635
  385   1HE2  GLN  53          1HE2      GLN  53  68.302 -13.566  -5.663
  386   2HE2  GLN  53          2HE2      GLN  53  69.276 -14.000  -4.332
  387    H    GLY  54           H        GLY  54  64.103 -13.370  -3.018
  388   1HA   GLY  54          2HA       GLY  54  63.977 -14.724  -1.093
  389   2HA   GLY  54          1HA       GLY  54  65.714 -14.481  -0.888
  390    H    VAL  55           H        VAL  55  63.767 -11.669  -1.227
  391    HA   VAL  55           HA       VAL  55  64.264 -10.999   1.637
  392    HB   VAL  55           HB       VAL  55  63.623  -9.393  -0.858
  393   1HG1  VAL  55          1HG1      VAL  55  63.571  -7.459   0.396
  394   2HG1  VAL  55          2HG1      VAL  55  64.559  -8.143   1.686
  395   3HG1  VAL  55          3HG1      VAL  55  62.857  -8.583   1.552
  396   1HG2  VAL  55          1HG2      VAL  55  66.094  -8.733   0.460
  397   2HG2  VAL  55          2HG2      VAL  55  65.854  -9.361  -1.170
  398   3HG2  VAL  55          3HG2      VAL  55  66.037 -10.475   0.185
  399    H    TRP  56           H        TRP  56  61.758 -10.019  -0.713
  400    HA   TRP  56           HA       TRP  56  59.693 -10.513   1.395
  401   1HB   TRP  56          2HB       TRP  56  59.857  -8.675  -1.015
  402   2HB   TRP  56          1HB       TRP  56  58.439  -8.817   0.021
  403    HD1  TRP  56           HD1      TRP  56  61.775  -7.173  -0.225
  404    HE1  TRP  56           HE1      TRP  56  62.237  -5.775   1.892
  405    HE3  TRP  56           HE3      TRP  56  57.959  -8.796   2.755
  406    HZ2  TRP  56           HZ2      TRP  56  61.134  -5.395   4.501
  407    HZ3  TRP  56           HZ3      TRP  56  57.691  -7.900   5.050
  408    HH2  TRP  56           HH2      TRP  56  59.273  -6.204   5.927
  409    H    GLY  57           H        GLY  57  60.436 -10.847  -2.069
  410   1HA   GLY  57          2HA       GLY  57  58.852 -13.311  -2.206
  411   2HA   GLY  57          1HA       GLY  57  58.192 -11.975  -3.152
  412    HA   PRO  58           HA       PRO  58  61.319 -14.238  -5.753
  413   1HB   PRO  58          2HB       PRO  58  59.381 -14.142  -7.873
  414   2HB   PRO  58          1HB       PRO  58  59.957 -15.559  -6.990
  415   1HG   PRO  58          2HG       PRO  58  57.371 -14.399  -6.848
  416   2HG   PRO  58          1HG       PRO  58  58.010 -15.700  -5.839
  417   1HD   PRO  58          2HD       PRO  58  57.530 -12.895  -5.129
  418   2HD   PRO  58          1HD       PRO  58  57.901 -14.272  -4.061
  419    H    ILE  59           H        ILE  59  60.200 -11.162  -5.497
  420    HA   ILE  59           HA       ILE  59  61.192 -10.287  -8.177
  421    HB   ILE  59           HB       ILE  59  59.739  -8.665  -6.076
  422   1HG1  ILE  59          2HG1      ILE  59  58.578 -10.414  -8.266
  423   2HG1  ILE  59          1HG1      ILE  59  58.370 -10.641  -6.529
  424   1HG2  ILE  59          1HG2      ILE  59  60.903  -7.595  -8.084
  425   2HG2  ILE  59          2HG2      ILE  59  59.187  -7.227  -7.903
  426   3HG2  ILE  59          3HG2      ILE  59  59.713  -8.421  -9.091
  427   1HD1  ILE  59          1HD1      ILE  59  56.454  -9.460  -7.769
  428   2HD1  ILE  59          2HD1      ILE  59  57.549  -8.086  -7.914
  429   3HD1  ILE  59          3HD1      ILE  59  57.067  -8.663  -6.320
  430    HA   PRO  60           HA       PRO  60  64.671  -9.432  -5.146
  431   1HB   PRO  60          2HB       PRO  60  66.348  -9.567  -7.483
  432   2HB   PRO  60          1HB       PRO  60  66.296 -10.676  -6.119
  433   1HG   PRO  60          2HG       PRO  60  65.290 -11.078  -8.799
  434   2HG   PRO  60          1HG       PRO  60  65.351 -12.238  -7.467
  435   1HD   PRO  60          2HD       PRO  60  63.019 -11.015  -8.546
  436   2HD   PRO  60          1HD       PRO  60  63.123 -11.987  -7.055
  437    H    MET  61           H        MET  61  65.450  -7.342  -4.856
  438    HA   MET  61           HA       MET  61  64.526  -5.217  -6.588
  439   1HB   MET  61          2HB       MET  61  64.841  -4.889  -4.225
  440   2HB   MET  61          1HB       MET  61  66.517  -5.422  -4.317
  441   1HG   MET  61          2HG       MET  61  67.141  -3.489  -5.622
  442   2HG   MET  61          1HG       MET  61  65.455  -2.994  -5.785
  443   1HE   MET  61          1HE       MET  61  67.936  -4.171  -2.989
  444   2HE   MET  61          2HE       MET  61  66.312  -4.704  -2.580
  445   3HE   MET  61          3HE       MET  61  67.123  -3.515  -1.563
  446    HA   PRO  62           HA       PRO  62  67.940  -5.513  -9.463
  447   1HB   PRO  62          2HB       PRO  62  67.370  -2.846 -10.386
  448   2HB   PRO  62          1HB       PRO  62  66.951  -4.374 -11.167
  449   1HG   PRO  62          2HG       PRO  62  65.167  -2.531  -9.933
  450   2HG   PRO  62          1HG       PRO  62  64.774  -4.122 -10.591
  451   1HD   PRO  62          2HD       PRO  62  64.953  -3.303  -7.794
  452   2HD   PRO  62          1HD       PRO  62  64.359  -4.842  -8.466
  453    HA   PRO  63           HA       PRO  63  70.932  -3.418  -6.897
  454   1HB   PRO  63          2HB       PRO  63  72.886  -3.537  -8.998
  455   2HB   PRO  63          1HB       PRO  63  72.757  -4.567  -7.569
  456   1HG   PRO  63          2HG       PRO  63  72.174  -5.256 -10.305
  457   2HG   PRO  63          1HG       PRO  63  72.087  -6.291  -8.877
  458   1HD   PRO  63          2HD       PRO  63  69.896  -5.237 -10.409
  459   2HD   PRO  63          1HD       PRO  63  69.808  -6.219  -8.927
  460    H    ASN  64           H        ASN  64  71.359  -1.244  -6.654
  461    HA   ASN  64           HA       ASN  64  70.969   0.521  -9.047
  462   1HB   ASN  64          2HB       ASN  64  70.654   1.104  -6.086
  463   2HB   ASN  64          1HB       ASN  64  70.144   2.140  -7.422
  464   1HD2  ASN  64          1HD2      ASN  64  69.473  -0.986  -5.822
  465   2HD2  ASN  64          2HD2      ASN  64  67.893  -1.149  -6.442
  466    H    ALA  65           H        ALA  65  72.210   2.663  -8.804
  467    HA   ALA  65           HA       ALA  65  75.016   2.055  -8.036
  468   1HB   ALA  65          1HB       ALA  65  74.086   3.050 -10.281
  469   2HB   ALA  65          2HB       ALA  65  75.559   3.734  -9.593
  470   3HB   ALA  65          3HB       ALA  65  74.016   4.561  -9.375
  471    H    VAL  66           H        VAL  66  73.009   2.574  -5.952
  472    HA   VAL  66           HA       VAL  66  73.370   5.317  -5.006
  473    HB   VAL  66           HB       VAL  66  72.226   4.306  -2.968
  474   1HG1  VAL  66          1HG1      VAL  66  71.249   4.800  -5.583
  475   2HG1  VAL  66          2HG1      VAL  66  70.337   4.828  -4.073
  476   3HG1  VAL  66          3HG1      VAL  66  70.439   3.341  -5.013
  477   1HG2  VAL  66          1HG2      VAL  66  71.488   1.863  -4.370
  478   2HG2  VAL  66          2HG2      VAL  66  72.096   2.063  -2.727
  479   3HG2  VAL  66          3HG2      VAL  66  73.226   1.930  -4.073
  480    H    SER  67           H        SER  67  75.341   5.948  -4.208
  481    HA   SER  67           HA       SER  67  77.508   4.337  -3.456
  482   1HB   SER  67          2HB       SER  67  77.169   6.923  -3.760
  483   2HB   SER  67          1HB       SER  67  76.850   6.907  -2.028
  484    HG   SER  67           HG       SER  67  78.955   6.979  -1.915
  485    H    ASP  68           H        ASP  68  78.345   4.576  -0.953
  486    HA   ASP  68           HA       ASP  68  76.634   2.822   0.587
  487   1HB   ASP  68          2HB       ASP  68  78.993   4.486   1.515
  488   2HB   ASP  68          1HB       ASP  68  78.444   2.945   2.177
  489    H    ASP  69           H        ASP  69  77.452   6.290   0.825
  490    HA   ASP  69           HA       ASP  69  75.963   6.802   3.228
  491   1HB   ASP  69          2HB       ASP  69  77.184   8.322   0.968
  492   2HB   ASP  69          1HB       ASP  69  76.007   9.180   1.962
  493    H    GLU  70           H        GLU  70  75.087   6.821  -0.210
  494    HA   GLU  70           HA       GLU  70  72.454   7.971   0.174
  495   1HB   GLU  70          2HB       GLU  70  73.747   6.337  -2.029
  496   2HB   GLU  70          1HB       GLU  70  72.183   7.136  -2.188
  497   1HG   GLU  70          2HG       GLU  70  73.632   9.221  -1.293
  498   2HG   GLU  70          1HG       GLU  70  74.914   8.316  -2.100
  499    H    ALA  71           H        ALA  71  73.690   4.649  -0.131
  500    HA   ALA  71           HA       ALA  71  71.060   3.409  -0.008
  501   1HB   ALA  71          1HB       ALA  71  72.990   1.558   0.794
  502   2HB   ALA  71          2HB       ALA  71  73.894   2.686  -0.215
  503   3HB   ALA  71          3HB       ALA  71  72.483   1.855  -0.868
  504    H    GLN  72           H        GLN  72  73.339   4.645   2.324
  505    HA   GLN  72           HA       GLN  72  72.323   3.104   4.583
  506   1HB   GLN  72          2HB       GLN  72  74.566   3.880   4.730
  507   2HB   GLN  72          1HB       GLN  72  74.126   5.491   4.159
  508   1HG   GLN  72          2HG       GLN  72  73.498   6.186   6.225
  509   2HG   GLN  72          1HG       GLN  72  72.724   4.648   6.607
  510   1HE2  GLN  72          1HE2      GLN  72  73.726   3.845   8.462
  511   2HE2  GLN  72          2HE2      GLN  72  75.413   3.800   8.715
  512    H    THR  73           H        THR  73  71.920   6.389   3.290
  513    HA   THR  73           HA       THR  73  69.990   7.203   5.308
  514    HB   THR  73           HB       THR  73  70.455   8.297   2.515
  515    HG1  THR  73           HG1      THR  73  71.853   8.775   4.935
  516   1HG2  THR  73          1HG2      THR  73  69.196  10.052   3.173
  517   2HG2  THR  73          2HG2      THR  73  70.029  10.158   4.724
  518   3HG2  THR  73          3HG2      THR  73  68.679   9.042   4.523
  519    H    LEU  74           H        LEU  74  69.917   5.469   2.284
  520    HA   LEU  74           HA       LEU  74  67.086   5.800   1.717
  521   1HB   LEU  74          2HB       LEU  74  69.331   3.981   0.846
  522   2HB   LEU  74          1HB       LEU  74  67.683   3.654   0.326
  523    HG   LEU  74           HG       LEU  74  68.957   6.373  -0.007
  524   1HD1  LEU  74          1HD1      LEU  74  69.728   3.997  -1.323
  525   2HD1  LEU  74          2HD1      LEU  74  70.135   5.649  -1.785
  526   3HD1  LEU  74          3HD1      LEU  74  68.706   4.870  -2.464
  527   1HD2  LEU  74          1HD2      LEU  74  66.346   5.267  -0.414
  528   2HD2  LEU  74          2HD2      LEU  74  67.027   5.666  -1.992
  529   3HD2  LEU  74          3HD2      LEU  74  66.898   6.909  -0.747
  530    H    ALA  75           H        ALA  75  69.058   3.233   3.244
  531    HA   ALA  75           HA       ALA  75  66.873   1.476   3.859
  532   1HB   ALA  75          1HB       ALA  75  68.627   0.719   5.631
  533   2HB   ALA  75          2HB       ALA  75  69.666   1.947   4.910
  534   3HB   ALA  75          3HB       ALA  75  69.077   0.606   3.930
  535    H    LYS  76           H        LYS  76  68.475   4.076   5.707
  536    HA   LYS  76           HA       LYS  76  66.844   3.769   8.078
  537   1HB   LYS  76          2HB       LYS  76  68.849   5.624   6.922
  538   2HB   LYS  76          1HB       LYS  76  67.737   6.357   8.080
  539   1HG   LYS  76          2HG       LYS  76  68.736   3.740   8.949
  540   2HG   LYS  76          1HG       LYS  76  70.016   4.937   8.742
  541   1HD   LYS  76          2HD       LYS  76  69.398   5.994  10.628
  542   2HD   LYS  76          1HD       LYS  76  67.743   6.154  10.036
  543   1HE   LYS  76          2HE       LYS  76  67.044   4.525  11.444
  544   2HE   LYS  76          1HE       LYS  76  68.263   3.406  10.804
  545   1HZ   LYS  76          1HZ       LYS  76  68.566   4.021  13.201
  546   2HZ   LYS  76          2HZ       LYS  76  68.900   5.606  12.690
  547   3HZ   LYS  76          3HZ       LYS  76  69.912   4.328  12.213
  548    H    TRP  77           H        TRP  77  66.483   5.403   5.012
  549    HA   TRP  77           HA       TRP  77  64.371   7.227   5.751
  550   1HB   TRP  77          2HB       TRP  77  65.711   7.550   3.766
  551   2HB   TRP  77          1HB       TRP  77  65.289   5.945   3.161
  552    HD1  TRP  77           HD1      TRP  77  63.254   9.041   4.341
  553    HE1  TRP  77           HE1      TRP  77  61.343   9.410   2.649
  554    HE3  TRP  77           HE3      TRP  77  64.162   5.185   1.132
  555    HZ2  TRP  77           HZ2      TRP  77  60.333   8.227   0.255
  556    HZ3  TRP  77           HZ3      TRP  77  62.711   4.822  -0.847
  557    HH2  TRP  77           HH2      TRP  77  60.798   6.340  -1.289
  558    H    ILE  78           H        ILE  78  64.419   3.936   4.360
  559    HA   ILE  78           HA       ILE  78  61.590   3.616   4.055
  560    HB   ILE  78           HB       ILE  78  63.837   1.650   4.650
  561   1HG1  ILE  78          2HG1      ILE  78  62.682   1.766   1.947
  562   2HG1  ILE  78          1HG1      ILE  78  63.496   3.254   2.425
  563   1HG2  ILE  78          1HG2      ILE  78  62.157   0.157   4.894
  564   2HG2  ILE  78          2HG2      ILE  78  61.903   0.339   3.158
  565   3HG2  ILE  78          3HG2      ILE  78  60.952   1.296   4.294
  566   1HD1  ILE  78          1HD1      ILE  78  65.472   2.266   2.012
  567   2HD1  ILE  78          2HD1      ILE  78  64.656   0.755   1.626
  568   3HD1  ILE  78          3HD1      ILE  78  65.131   1.098   3.288
  569    H    LEU  79           H        LEU  79  63.810   2.870   6.741
  570    HA   LEU  79           HA       LEU  79  61.709   1.878   8.495
  571   1HB   LEU  79          2HB       LEU  79  64.614   2.659   8.718
  572   2HB   LEU  79          1HB       LEU  79  63.687   2.248  10.161
  573    HG   LEU  79           HG       LEU  79  63.354   0.355   7.924
  574   1HD1  LEU  79          1HD1      LEU  79  65.667  -0.658   8.862
  575   2HD1  LEU  79          2HD1      LEU  79  66.033   1.061   9.019
  576   3HD1  LEU  79          3HD1      LEU  79  65.602   0.391   7.445
  577   1HD2  LEU  79          1HD2      LEU  79  62.815  -0.979   9.669
  578   2HD2  LEU  79          2HD2      LEU  79  62.975   0.447  10.696
  579   3HD2  LEU  79          3HD2      LEU  79  64.345  -0.641  10.478
  580    H    SER  80           H        SER  80  62.801   4.971   7.520
  581    HA   SER  80           HA       SER  80  62.053   6.386   9.981
  582   1HB   SER  80          2HB       SER  80  63.879   7.135   8.507
  583   2HB   SER  80          1HB       SER  80  62.746   7.295   7.168
  584    HG   SER  80           HG       SER  80  61.937   9.060   8.050
  585    H    GLN  81           H        GLN  81  60.605   5.640   6.833
  586    HA   GLN  81           HA       GLN  81  58.475   7.478   6.764
  587   1HB   GLN  81          2HB       GLN  81  58.459   4.526   6.053
  588   2HB   GLN  81          1HB       GLN  81  57.370   5.749   5.403
  589   1HG   GLN  81          2HG       GLN  81  60.320   5.397   4.904
  590   2HG   GLN  81          1HG       GLN  81  59.015   5.562   3.731
  591   1HE2  GLN  81          1HE2      GLN  81  58.650   7.641   2.915
  592   2HE2  GLN  81          2HE2      GLN  81  59.302   9.068   3.583
  593    H    LYS  82           H        LYS  82  56.222   7.226   7.470
  594    HA   LYS  82           HA       LYS  82  55.386   5.164   9.304
  595   1HB   LYS  82          2HB       LYS  82  57.085   6.220  10.705
  596   2HB   LYS  82          1HB       LYS  82  56.364   7.806  10.427
  597   1HG   LYS  82          2HG       LYS  82  55.194   7.414  12.327
  598   2HG   LYS  82          1HG       LYS  82  54.216   6.329  11.337
  599   1HD   LYS  82          2HD       LYS  82  55.245   4.429  12.151
  600   2HD   LYS  82          1HD       LYS  82  56.766   5.262  12.469
  601   1HE   LYS  82          2HE       LYS  82  56.157   5.713  14.607
  602   2HE   LYS  82          1HE       LYS  82  54.580   6.340  14.087
  603   1HZ   LYS  82          1HZ       LYS  82  54.818   4.055  15.392
  604   2HZ   LYS  82          2HZ       LYS  82  55.027   3.470  13.810
  605   3HZ   LYS  82          3HZ       LYS  82  53.611   4.311  14.229
  606    HHA  HEM  83           HHA      HEM  83  62.954  -5.041  -1.161
  607    HHB  HEM  83           HHB      HEM  83  65.445   0.839  -0.286
  608    HHC  HEM  83           HHC      HEM  83  64.749   1.805  -6.492
  609    HHD  HEM  83           HHD      HEM  83  61.553  -3.593  -7.045
  610   1HMA  HEM  83          1HMA      HEM  83  64.687  -1.239   2.350
  611   2HMA  HEM  83          2HMA      HEM  83  66.031  -0.505   1.477
  612   3HMA  HEM  83          3HMA      HEM  83  66.141  -2.180   2.020
  613   1HAA  HEM  83          1HAA      HEM  83  63.654  -4.761   1.202
  614   2HAA  HEM  83          2HAA      HEM  83  65.265  -4.228   1.679
  615   1HBA  HEM  83          1HBA      HEM  83  65.804  -5.024  -0.839
  616   2HBA  HEM  83          2HBA      HEM  83  64.444  -6.091  -0.498
  617    H2A  HEM  83          3HBB      HEM  83  67.975   2.274  -4.774
  618   1HMB  HEM  83          1HMB      HEM  83  65.709   3.819  -1.428
  619   2HMB  HEM  83          2HMB      HEM  83  67.281   3.454  -2.139
  620   3HMB  HEM  83          3HMB      HEM  83  66.682   2.495  -0.786
  621    HAB  HEM  83           HAB      HEM  83  65.544   3.320  -5.822
  622   1HBB  HEM  83          1HBB      HEM  83  68.147   4.023  -4.925
  623   2HBB  HEM  83          2HBB      HEM  83  67.697   3.057  -6.331
  624   1HMC  HEM  83          1HMC      HEM  83  62.711   0.913  -9.489
  625   2HMC  HEM  83          2HMC      HEM  83  64.451   0.635  -9.402
  626   3HMC  HEM  83          3HMC      HEM  83  63.706   1.882  -8.402
  627    HAC  HEM  83           HAC      HEM  83  61.253  -2.657  -8.624
  628   1HBC  HEM  83          1HBC      HEM  83  63.467  -1.570 -10.155
  629   2HBC  HEM  83          2HBC      HEM  83  61.950  -1.508 -11.051
  630   1HMD  HEM  83          1HMD      HEM  83  61.282  -6.422  -6.324
  631   2HMD  HEM  83          2HMD      HEM  83  60.143  -5.082  -6.454
  632   3HMD  HEM  83          3HMD      HEM  83  59.903  -6.329  -5.230
  633   1HAD  HEM  83          1HAD      HEM  83  60.525  -6.973  -3.261
  634   2HAD  HEM  83          2HAD      HEM  83  61.181  -6.317  -1.766
  635   1HBD  HEM  83          1HBD      HEM  83  63.093  -7.545  -1.919
  636   2HBD  HEM  83          2HBD      HEM  83  63.199  -7.345  -3.669
  637    H2D  HEM  83          3HBC      HEM  83  62.535  -3.044 -10.414
  Start of MODEL   10
    1   1H    GLU   1          1H        GLU   1  67.159  20.022   0.733
    2   2H    GLU   1          2H        GLU   1  68.304  19.574   1.907
    3   3H    GLU   1          3H        GLU   1  66.681  19.100   2.073
    4    HA   GLU   1           HA       GLU   1  67.138  17.977  -0.258
    5   1HB   GLU   1          2HB       GLU   1  69.659  18.972   0.761
    6   2HB   GLU   1          1HB       GLU   1  69.726  17.218   0.586
    7   1HG   GLU   1          2HG       GLU   1  70.406  18.363  -1.504
    8   2HG   GLU   1          1HG       GLU   1  68.946  17.403  -1.738
    9    H    ASP   2           H        ASP   2  65.510  16.994   1.356
   10    HA   ASP   2           HA       ASP   2  66.503  15.305   3.504
   11   1HB   ASP   2          2HB       ASP   2  63.981  16.122   2.249
   12   2HB   ASP   2          1HB       ASP   2  63.959  14.444   2.797
   13    HA   PRO   3           HA       PRO   3  67.436  11.539   1.441
   14   1HB   PRO   3          2HB       PRO   3  65.599   9.883   2.912
   15   2HB   PRO   3          1HB       PRO   3  67.332  10.087   3.180
   16   1HG   PRO   3          2HG       PRO   3  65.177  11.068   4.801
   17   2HG   PRO   3          1HG       PRO   3  66.912  11.273   5.061
   18   1HD   PRO   3          2HD       PRO   3  64.998  13.268   4.232
   19   2HD   PRO   3          1HD       PRO   3  66.748  13.473   4.487
   20    H    GLU   4           H        GLU   4  64.143  12.624   1.632
   21    HA   GLU   4           HA       GLU   4  62.973  10.636  -0.135
   22   1HB   GLU   4          2HB       GLU   4  61.783  12.113   1.528
   23   2HB   GLU   4          1HB       GLU   4  62.116  13.486   0.472
   24   1HG   GLU   4          2HG       GLU   4  60.890  11.140  -0.854
   25   2HG   GLU   4          1HG       GLU   4  59.858  11.978   0.304
   26    H    VAL   5           H        VAL   5  64.575  13.757  -0.547
   27    HA   VAL   5           HA       VAL   5  63.895  14.185  -3.307
   28    HB   VAL   5           HB       VAL   5  66.108  15.083  -1.458
   29   1HG1  VAL   5          1HG1      VAL   5  65.704  15.602  -4.391
   30   2HG1  VAL   5          2HG1      VAL   5  67.204  15.314  -3.510
   31   3HG1  VAL   5          3HG1      VAL   5  66.383  16.869  -3.368
   32   1HG2  VAL   5          1HG2      VAL   5  64.485  16.514  -0.819
   33   2HG2  VAL   5          2HG2      VAL   5  63.402  15.917  -2.077
   34   3HG2  VAL   5          3HG2      VAL   5  64.541  17.215  -2.436
   35    H    LEU   6           H        LEU   6  66.847  12.850  -1.790
   36    HA   LEU   6           HA       LEU   6  68.102  12.123  -4.277
   37   1HB   LEU   6          2HB       LEU   6  69.697  11.069  -2.852
   38   2HB   LEU   6          1HB       LEU   6  69.077  12.420  -1.905
   39    HG   LEU   6           HG       LEU   6  67.321  10.666  -1.057
   40   1HD1  LEU   6          1HD1      LEU   6  69.191   9.064  -2.634
   41   2HD1  LEU   6          2HD1      LEU   6  67.608   8.625  -1.990
   42   3HD1  LEU   6          3HD1      LEU   6  69.044   8.484  -0.975
   43   1HD2  LEU   6          1HD2      LEU   6  70.237  10.567  -0.214
   44   2HD2  LEU   6          2HD2      LEU   6  68.870  10.040   0.768
   45   3HD2  LEU   6          3HD2      LEU   6  69.047  11.743   0.344
   46    H    ALA   7           H        ALA   7  65.808  10.510  -2.145
   47    HA   ALA   7           HA       ALA   7  66.001   7.843  -3.084
   48   1HB   ALA   7          1HB       ALA   7  63.540   7.828  -2.394
   49   2HB   ALA   7          2HB       ALA   7  63.697   9.563  -2.121
   50   3HB   ALA   7          3HB       ALA   7  64.659   8.431  -1.171
   51    H    LYS   8           H        LYS   8  64.015  10.556  -4.304
   52    HA   LYS   8           HA       LYS   8  62.863   9.095  -6.511
   53   1HB   LYS   8          2HB       LYS   8  61.824  11.088  -5.649
   54   2HB   LYS   8          1HB       LYS   8  63.305  12.021  -5.857
   55   1HG   LYS   8          2HG       LYS   8  62.455  12.659  -7.850
   56   2HG   LYS   8          1HG       LYS   8  62.812  11.023  -8.403
   57   1HD   LYS   8          2HD       LYS   8  60.557  10.309  -7.576
   58   2HD   LYS   8          1HD       LYS   8  60.208  11.997  -7.203
   59   1HE   LYS   8          2HE       LYS   8  60.067  12.606  -9.442
   60   2HE   LYS   8          1HE       LYS   8  61.163  11.311  -9.967
   61   1HZ   LYS   8          1HZ       LYS   8  59.269   9.847  -8.892
   62   2HZ   LYS   8          2HZ       LYS   8  59.187  10.351 -10.512
   63   3HZ   LYS   8          3HZ       LYS   8  58.313  11.184  -9.317
   64    H    ASN   9           H        ASN   9  65.750  11.134  -6.149
   65    HA   ASN   9           HA       ASN   9  66.478  11.314  -8.903
   66   1HB   ASN   9          2HB       ASN   9  68.351  11.136  -6.530
   67   2HB   ASN   9          1HB       ASN   9  68.574  12.064  -8.013
   68   1HD2  ASN   9          1HD2      ASN   9  65.524  12.754  -7.787
   69   2HD2  ASN   9          2HD2      ASN   9  65.502  14.023  -6.650
   70    H    LYS  10           H        LYS  10  66.716   8.677  -6.619
   71    HA   LYS  10           HA       LYS  10  68.617   7.191  -8.356
   72   1HB   LYS  10          2HB       LYS  10  67.290   6.522  -5.705
   73   2HB   LYS  10          1HB       LYS  10  68.613   5.621  -6.454
   74   1HG   LYS  10          2HG       LYS  10  68.762   8.542  -5.659
   75   2HG   LYS  10          1HG       LYS  10  69.408   7.211  -4.698
   76   1HD   LYS  10          2HD       LYS  10  70.871   6.568  -6.575
   77   2HD   LYS  10          1HD       LYS  10  70.228   7.901  -7.534
   78   1HE   LYS  10          2HE       LYS  10  71.475   8.396  -4.821
   79   2HE   LYS  10          1HE       LYS  10  72.458   8.339  -6.297
   80   1HZ   LYS  10          1HZ       LYS  10  70.538  10.324  -5.449
   81   2HZ   LYS  10          2HZ       LYS  10  70.342   9.825  -7.062
   82   3HZ   LYS  10          3HZ       LYS  10  71.827  10.464  -6.542
   83    H    GLY  11           H        GLY  11  65.228   7.350  -7.511
   84   1HA   GLY  11          2HA       GLY  11  63.557   6.428  -9.035
   85   2HA   GLY  11          1HA       GLY  11  64.706   5.161  -9.465
   86    H    CYS  12           H        CYS  12  64.659   5.836  -6.118
   87    HA   CYS  12           HA       CYS  12  63.756   3.205  -5.424
   88   1HB   CYS  12          2HB       CYS  12  63.741   5.699  -3.706
   89   2HB   CYS  12          1HB       CYS  12  63.938   4.032  -3.167
   90    H    MET  13           H        MET  13  62.092   6.354  -5.494
   91    HA   MET  13           HA       MET  13  59.611   5.348  -4.376
   92   1HB   MET  13          2HB       MET  13  60.054   7.798  -6.096
   93   2HB   MET  13          1HB       MET  13  58.858   7.578  -4.816
   94   1HG   MET  13          2HG       MET  13  61.434   7.067  -3.698
   95   2HG   MET  13          1HG       MET  13  61.525   8.586  -4.587
   96   1HE   MET  13          1HE       MET  13  57.863   7.564  -2.854
   97   2HE   MET  13          2HE       MET  13  58.694   7.291  -1.325
   98   3HE   MET  13          3HE       MET  13  59.224   6.438  -2.773
   99    H    ALA  14           H        ALA  14  61.013   4.626  -7.285
  100    HA   ALA  14           HA       ALA  14  58.716   4.925  -9.059
  101   1HB   ALA  14          1HB       ALA  14  61.102   3.103  -9.392
  102   2HB   ALA  14          2HB       ALA  14  61.240   4.850  -9.588
  103   3HB   ALA  14          3HB       ALA  14  60.179   3.925 -10.649
  104    H    CYS  15           H        CYS  15  60.302   2.173  -7.438
  105    HA   CYS  15           HA       CYS  15  57.980   0.425  -8.092
  106   1HB   CYS  15          2HB       CYS  15  60.741  -0.031  -6.926
  107   2HB   CYS  15          1HB       CYS  15  59.573  -1.314  -7.219
  108    H    HIS  16           H        HIS  16  59.628   1.988  -5.408
  109    HA   HIS  16           HA       HIS  16  58.057   0.441  -3.424
  110   1HB   HIS  16          2HB       HIS  16  60.478   2.170  -3.507
  111   2HB   HIS  16          1HB       HIS  16  59.588   2.106  -1.984
  112    HD1  HIS  16           HD1      HIS  16  58.804  -0.678  -1.582
  113    HD2  HIS  16           HD2      HIS  16  62.436   0.248  -3.412
  114    HE1  HIS  16           HE1      HIS  16  60.280  -2.717  -1.311
  115    H    ALA  17           H        ALA  17  57.149   1.670  -1.585
  116    HA   ALA  17           HA       ALA  17  56.241   4.437  -2.101
  117   1HB   ALA  17          1HB       ALA  17  54.209   2.292  -1.489
  118   2HB   ALA  17          2HB       ALA  17  54.707   2.579  -3.156
  119   3HB   ALA  17          3HB       ALA  17  53.954   3.873  -2.226
  120    H    ILE  18           H        ILE  18  54.401   4.602  -0.005
  121    HA   ILE  18           HA       ILE  18  56.183   4.148   2.321
  122    HB   ILE  18           HB       ILE  18  53.482   5.519   2.048
  123   1HG1  ILE  18          2HG1      ILE  18  55.329   6.442   0.595
  124   2HG1  ILE  18          1HG1      ILE  18  54.726   7.580   1.799
  125   1HG2  ILE  18          1HG2      ILE  18  54.275   4.812   4.367
  126   2HG2  ILE  18          2HG2      ILE  18  53.966   6.535   4.161
  127   3HG2  ILE  18          3HG2      ILE  18  55.622   5.929   4.149
  128   1HD1  ILE  18          1HD1      ILE  18  57.391   6.823   1.431
  129   2HD1  ILE  18          2HD1      ILE  18  56.879   5.936   2.868
  130   3HD1  ILE  18          3HD1      ILE  18  56.735   7.693   2.818
  131    H    ASP  19           H        ASP  19  52.622   3.867   2.145
  132    HA   ASP  19           HA       ASP  19  52.887   1.236   3.565
  133   1HB   ASP  19          2HB       ASP  19  51.711   3.585   4.366
  134   2HB   ASP  19          1HB       ASP  19  50.336   2.719   3.679
  135    H    THR  20           H        THR  20  52.117   2.546   0.587
  136    HA   THR  20           HA       THR  20  49.772   0.896  -0.038
  137    HB   THR  20           HB       THR  20  50.454   1.777  -2.393
  138    HG1  THR  20           HG1      THR  20  51.804   3.797  -1.797
  139   1HG2  THR  20          1HG2      THR  20  48.816   3.197  -1.802
  140   2HG2  THR  20          2HG2      THR  20  50.046   4.248  -1.103
  141   3HG2  THR  20          3HG2      THR  20  49.242   3.044  -0.098
  142    H    LYS  21           H        LYS  21  50.328  -0.214  -2.476
  143    HA   LYS  21           HA       LYS  21  52.704  -1.968  -2.060
  144   1HB   LYS  21          2HB       LYS  21  49.898  -2.597  -1.827
  145   2HB   LYS  21          1HB       LYS  21  50.599  -3.512  -3.164
  146   1HG   LYS  21          2HG       LYS  21  52.323  -3.434  -0.788
  147   2HG   LYS  21          1HG       LYS  21  50.770  -4.217  -0.497
  148   1HD   LYS  21          2HD       LYS  21  52.216  -4.925  -3.011
  149   2HD   LYS  21          1HD       LYS  21  52.853  -5.567  -1.496
  150   1HE   LYS  21          2HE       LYS  21  51.289  -7.215  -2.216
  151   2HE   LYS  21          1HE       LYS  21  50.388  -6.271  -1.013
  152   1HZ   LYS  21          1HZ       LYS  21  49.249  -5.120  -2.623
  153   2HZ   LYS  21          2HZ       LYS  21  49.380  -6.641  -3.369
  154   3HZ   LYS  21          3HZ       LYS  21  50.429  -5.380  -3.814
  155    H    MET  22           H        MET  22  53.927  -1.432  -3.844
  156    HA   MET  22           HA       MET  22  52.532  -1.318  -6.500
  157   1HB   MET  22          2HB       MET  22  54.917   0.122  -5.315
  158   2HB   MET  22          1HB       MET  22  54.585   0.136  -7.050
  159   1HG   MET  22          2HG       MET  22  52.123   0.758  -6.059
  160   2HG   MET  22          1HG       MET  22  53.166   1.511  -4.853
  161   1HE   MET  22          1HE       MET  22  55.132   2.623  -5.306
  162   2HE   MET  22          2HE       MET  22  55.132   4.068  -6.315
  163   3HE   MET  22          3HE       MET  22  55.849   2.579  -6.922
  164    H    VAL  23           H        VAL  23  55.809  -1.216  -7.019
  165    HA   VAL  23           HA       VAL  23  55.894  -3.957  -8.001
  166    HB   VAL  23           HB       VAL  23  57.826  -1.634  -7.820
  167   1HG1  VAL  23          1HG1      VAL  23  59.219  -3.044  -9.430
  168   2HG1  VAL  23          2HG1      VAL  23  58.240  -4.421  -8.923
  169   3HG1  VAL  23          3HG1      VAL  23  59.235  -3.565  -7.745
  170   1HG2  VAL  23          1HG2      VAL  23  57.325  -1.293 -10.088
  171   2HG2  VAL  23          2HG2      VAL  23  55.765  -1.790  -9.434
  172   3HG2  VAL  23          3HG2      VAL  23  56.763  -2.950 -10.311
  173    H    GLY  24           H        GLY  24  57.236  -2.167  -5.268
  174   1HA   GLY  24          2HA       GLY  24  58.334  -4.739  -4.204
  175   2HA   GLY  24          1HA       GLY  24  59.041  -3.158  -3.845
  176    HA   PRO  25           HA       PRO  25  55.722  -4.489  -0.701
  177   1HB   PRO  25          2HB       PRO  25  57.782  -4.561   1.304
  178   2HB   PRO  25          1HB       PRO  25  56.795  -5.899   0.711
  179   1HG   PRO  25          2HG       PRO  25  59.575  -5.468   0.247
  180   2HG   PRO  25          1HG       PRO  25  58.556  -6.739  -0.429
  181   1HD   PRO  25          2HD       PRO  25  59.657  -4.409  -1.775
  182   2HD   PRO  25          1HD       PRO  25  58.750  -5.769  -2.480
  183    H    ALA  26           H        ALA  26  54.778  -2.834   0.506
  184    HA   ALA  26           HA       ALA  26  55.446  -0.160   0.305
  185   1HB   ALA  26          1HB       ALA  26  53.638  -1.754   1.707
  186   2HB   ALA  26          2HB       ALA  26  53.651   0.010   1.688
  187   3HB   ALA  26          3HB       ALA  26  54.477  -0.865   2.978
  188    H    TYR  27           H        TYR  27  56.619   1.325   1.694
  189    HA   TYR  27           HA       TYR  27  59.140   0.306   2.666
  190   1HB   TYR  27          2HB       TYR  27  57.672   2.897   2.477
  191   2HB   TYR  27          1HB       TYR  27  59.028   2.832   3.597
  192    HD1  TYR  27           HD1      TYR  27  58.570   4.273   0.755
  193    HD2  TYR  27           HD2      TYR  27  60.760   0.826   2.097
  194    HE1  TYR  27           HE1      TYR  27  60.137   4.524  -1.149
  195    HE2  TYR  27           HE2      TYR  27  62.318   1.077   0.190
  196    HH   TYR  27           HH       TYR  27  63.012   2.499  -1.438
  197    H    LYS  28           H        LYS  28  56.469   1.942   4.413
  198    HA   LYS  28           HA       LYS  28  57.326   1.571   7.039
  199   1HB   LYS  28          2HB       LYS  28  55.170   2.604   5.876
  200   2HB   LYS  28          1HB       LYS  28  54.468   1.042   6.299
  201   1HG   LYS  28          2HG       LYS  28  55.994   2.137   8.517
  202   2HG   LYS  28          1HG       LYS  28  54.739   3.259   7.992
  203   1HD   LYS  28          2HD       LYS  28  53.649   0.609   7.988
  204   2HD   LYS  28          1HD       LYS  28  54.423   0.896   9.546
  205   1HE   LYS  28          2HE       LYS  28  52.915   3.236   8.668
  206   2HE   LYS  28          1HE       LYS  28  51.885   1.798   8.808
  207   1HZ   LYS  28          1HZ       LYS  28  53.022   1.362  10.973
  208   2HZ   LYS  28          2HZ       LYS  28  52.039   2.749  10.965
  209   3HZ   LYS  28          3HZ       LYS  28  53.729   2.900  10.857
  210    H    ASP  29           H        ASP  29  55.450  -0.709   5.042
  211    HA   ASP  29           HA       ASP  29  55.119  -2.815   6.875
  212   1HB   ASP  29          2HB       ASP  29  55.485  -2.558   3.906
  213   2HB   ASP  29          1HB       ASP  29  55.406  -4.171   4.615
  214    H    VAL  30           H        VAL  30  57.904  -2.179   4.717
  215    HA   VAL  30           HA       VAL  30  59.486  -4.427   5.357
  216    HB   VAL  30           HB       VAL  30  60.214  -1.551   4.724
  217   1HG1  VAL  30          1HG1      VAL  30  61.858  -3.920   5.295
  218   2HG1  VAL  30          2HG1      VAL  30  62.319  -2.218   5.243
  219   3HG1  VAL  30          3HG1      VAL  30  62.234  -3.155   3.752
  220   1HG2  VAL  30          1HG2      VAL  30  59.029  -3.658   3.201
  221   2HG2  VAL  30          2HG2      VAL  30  60.671  -3.422   2.602
  222   3HG2  VAL  30          3HG2      VAL  30  59.542  -2.068   2.635
  223    H    ALA  31           H        ALA  31  59.130  -1.340   7.068
  224    HA   ALA  31           HA       ALA  31  61.183  -1.934   9.050
  225   1HB   ALA  31          1HB       ALA  31  60.596   0.344   8.441
  226   2HB   ALA  31          2HB       ALA  31  60.158   0.096  10.131
  227   3HB   ALA  31          3HB       ALA  31  58.912   0.068   8.884
  228    H    ALA  32           H        ALA  32  57.748  -2.569   8.738
  229    HA   ALA  32           HA       ALA  32  57.206  -3.044  11.539
  230   1HB   ALA  32          1HB       ALA  32  55.490  -2.514   9.866
  231   2HB   ALA  32          2HB       ALA  32  55.148  -4.084  10.592
  232   3HB   ALA  32          3HB       ALA  32  55.870  -3.994   8.985
  233    H    LYS  33           H        LYS  33  58.445  -5.045   8.912
  234    HA   LYS  33           HA       LYS  33  58.154  -7.539  10.443
  235   1HB   LYS  33          2HB       LYS  33  57.935  -7.265   7.930
  236   2HB   LYS  33          1HB       LYS  33  59.679  -6.982   7.885
  237   1HG   LYS  33          2HG       LYS  33  59.808  -9.242   7.640
  238   2HG   LYS  33          1HG       LYS  33  59.559  -9.262   9.387
  239   1HD   LYS  33          2HD       LYS  33  57.533 -10.223   9.160
  240   2HD   LYS  33          1HD       LYS  33  57.030  -9.010   7.981
  241   1HE   LYS  33          2HE       LYS  33  56.980 -11.147   6.851
  242   2HE   LYS  33          1HE       LYS  33  58.424 -10.300   6.260
  243   1HZ   LYS  33          1HZ       LYS  33  58.971 -12.554   6.969
  244   2HZ   LYS  33          2HZ       LYS  33  58.356 -12.233   8.519
  245   3HZ   LYS  33          3HZ       LYS  33  59.733 -11.409   7.962
  246    H    TYR  34           H        TYR  34  60.787  -5.379   9.395
  247    HA   TYR  34           HA       TYR  34  62.777  -6.962  10.914
  248   1HB   TYR  34          2HB       TYR  34  62.750  -4.654   8.981
  249   2HB   TYR  34          1HB       TYR  34  64.193  -4.948   9.960
  250    HD1  TYR  34           HD1      TYR  34  65.831  -6.150   8.828
  251    HD2  TYR  34           HD2      TYR  34  61.697  -7.113   8.164
  252    HE1  TYR  34           HE1      TYR  34  66.502  -7.981   7.295
  253    HE2  TYR  34           HE2      TYR  34  62.370  -8.942   6.631
  254    HH   TYR  34           HH       TYR  34  65.794  -9.511   5.840
  255    H    ALA  35           H        ALA  35  60.467  -4.862  11.824
  256    HA   ALA  35           HA       ALA  35  61.772  -2.793  13.288
  257   1HB   ALA  35          1HB       ALA  35  59.158  -4.211  13.249
  258   2HB   ALA  35          2HB       ALA  35  59.497  -2.484  13.140
  259   3HB   ALA  35          3HB       ALA  35  59.522  -3.291  14.708
  260    H    GLY  36           H        GLY  36  63.239  -3.081  14.922
  261   1HA   GLY  36          2HA       GLY  36  63.518  -3.802  17.283
  262   2HA   GLY  36          1HA       GLY  36  62.769  -5.333  16.833
  263    H    GLN  37           H        GLN  37  64.559  -4.757  14.226
  264    HA   GLN  37           HA       GLN  37  66.591  -6.687  14.859
  265   1HB   GLN  37          2HB       GLN  37  65.846  -4.833  12.653
  266   2HB   GLN  37          1HB       GLN  37  67.505  -5.433  12.646
  267   1HG   GLN  37          2HG       GLN  37  65.850  -7.651  13.256
  268   2HG   GLN  37          1HG       GLN  37  65.095  -6.818  11.897
  269   1HE2  GLN  37          1HE2      GLN  37  67.012  -9.351  12.312
  270   2HE2  GLN  37          2HE2      GLN  37  68.107  -9.169  11.018
  271    H    ALA  38           H        ALA  38  68.812  -6.361  15.325
  272    HA   ALA  38           HA       ALA  38  69.466  -3.781  16.593
  273   1HB   ALA  38          1HB       ALA  38  71.316  -5.037  17.513
  274   2HB   ALA  38          2HB       ALA  38  71.114  -6.309  16.308
  275   3HB   ALA  38          3HB       ALA  38  69.896  -6.083  17.564
  276    H    GLY  39           H        GLY  39  69.259  -3.179  13.965
  277   1HA   GLY  39          2HA       GLY  39  71.044  -1.764  12.853
  278   2HA   GLY  39          1HA       GLY  39  72.081  -3.187  12.966
  279    H    ALA  40           H        ALA  40  68.660  -2.889  11.976
  280    HA   ALA  40           HA       ALA  40  69.029  -4.730   9.766
  281   1HB   ALA  40          1HB       ALA  40  66.659  -3.890   9.268
  282   2HB   ALA  40          2HB       ALA  40  66.846  -2.837  10.671
  283   3HB   ALA  40          3HB       ALA  40  66.905  -4.588  10.869
  284    H    GLU  41           H        GLU  41  69.545  -1.344  10.149
  285    HA   GLU  41           HA       GLU  41  69.038  -0.500   7.428
  286   1HB   GLU  41          2HB       GLU  41  70.619   0.525   9.791
  287   2HB   GLU  41          1HB       GLU  41  70.609   1.393   8.256
  288   1HG   GLU  41          2HG       GLU  41  68.594   2.273   8.727
  289   2HG   GLU  41          1HG       GLU  41  67.913   0.661   8.947
  290    H    ALA  42           H        ALA  42  71.903  -1.723   9.157
  291    HA   ALA  42           HA       ALA  42  73.870  -1.247   7.167
  292   1HB   ALA  42          1HB       ALA  42  73.837  -2.265   9.645
  293   2HB   ALA  42          2HB       ALA  42  75.163  -2.607   8.533
  294   3HB   ALA  42          3HB       ALA  42  73.870  -3.785   8.753
  295    H    TYR  43           H        TYR  43  71.862  -4.177   7.697
  296    HA   TYR  43           HA       TYR  43  72.766  -5.515   5.299
  297   1HB   TYR  43          2HB       TYR  43  71.826  -6.868   6.991
  298   2HB   TYR  43          1HB       TYR  43  70.489  -5.749   7.268
  299    HD1  TYR  43           HD1      TYR  43  68.577  -5.658   5.705
  300    HD2  TYR  43           HD2      TYR  43  71.743  -8.521   5.224
  301    HE1  TYR  43           HE1      TYR  43  67.151  -6.975   4.162
  302    HE2  TYR  43           HE2      TYR  43  70.318  -9.837   3.678
  303    HH   TYR  43           HH       TYR  43  68.188 -10.122   2.937
  304    H    LEU  44           H        LEU  44  70.194  -3.221   6.028
  305    HA   LEU  44           HA       LEU  44  68.724  -3.481   3.568
  306   1HB   LEU  44          2HB       LEU  44  69.143  -1.365   5.686
  307   2HB   LEU  44          1HB       LEU  44  68.141  -1.027   4.271
  308    HG   LEU  44           HG       LEU  44  67.701  -3.497   5.946
  309   1HD1  LEU  44          1HD1      LEU  44  67.275  -0.745   6.727
  310   2HD1  LEU  44          2HD1      LEU  44  66.973  -2.218   7.649
  311   3HD1  LEU  44          3HD1      LEU  44  65.728  -1.580   6.576
  312   1HD2  LEU  44          1HD2      LEU  44  65.755  -3.713   4.732
  313   2HD2  LEU  44          2HD2      LEU  44  66.706  -2.832   3.537
  314   3HD2  LEU  44          3HD2      LEU  44  65.550  -1.971   4.552
  315    H    ALA  45           H        ALA  45  71.717  -1.957   4.486
  316    HA   ALA  45           HA       ALA  45  71.924  -0.229   2.142
  317   1HB   ALA  45          1HB       ALA  45  74.444  -0.545   3.246
  318   2HB   ALA  45          2HB       ALA  45  73.379  -0.880   4.610
  319   3HB   ALA  45          3HB       ALA  45  73.260   0.659   3.757
  320    H    GLN  46           H        GLN  46  73.092  -3.444   3.111
  321    HA   GLN  46           HA       GLN  46  74.806  -3.744   0.763
  322   1HB   GLN  46          2HB       GLN  46  73.905  -5.316   3.125
  323   2HB   GLN  46          1HB       GLN  46  74.440  -6.250   1.727
  324   1HG   GLN  46          2HG       GLN  46  76.590  -5.183   1.729
  325   2HG   GLN  46          1HG       GLN  46  76.062  -3.984   2.909
  326   1HE2  GLN  46          1HE2      GLN  46  74.950  -5.332   4.955
  327   2HE2  GLN  46          2HE2      GLN  46  75.996  -6.522   5.588
  328    H    ARG  47           H        ARG  47  71.444  -4.348   1.511
  329    HA   ARG  47           HA       ARG  47  71.062  -6.075  -0.864
  330   1HB   ARG  47          2HB       ARG  47  69.128  -4.895   1.162
  331   2HB   ARG  47          1HB       ARG  47  68.754  -6.174   0.007
  332   1HG   ARG  47          2HG       ARG  47  71.094  -6.553   1.836
  333   2HG   ARG  47          1HG       ARG  47  69.472  -6.758   2.497
  334   1HD   ARG  47          2HD       ARG  47  70.248  -8.929   1.683
  335   2HD   ARG  47          1HD       ARG  47  68.986  -8.349   0.579
  336    HE   ARG  47           HE       ARG  47  70.641  -8.135  -1.088
  337   1HH1  ARG  47          1HH1      ARG  47  72.020  -8.169   2.080
  338   2HH1  ARG  47          2HH1      ARG  47  73.655  -8.144   1.507
  339   1HH2  ARG  47          1HH2      ARG  47  72.768  -8.101  -1.842
  340   2HH2  ARG  47          2HH2      ARG  47  74.077  -8.105  -0.708
  341    H    ILE  48           H        ILE  48  70.812  -2.736   0.064
  342    HA   ILE  48           HA       ILE  48  69.044  -2.008  -2.175
  343    HB   ILE  48           HB       ILE  48  70.595  -0.559  -0.018
  344   1HG1  ILE  48          2HG1      ILE  48  67.624  -0.682  -0.619
  345   2HG1  ILE  48          1HG1      ILE  48  68.441  -1.764   0.510
  346   1HG2  ILE  48          1HG2      ILE  48  69.359   1.501  -0.877
  347   2HG2  ILE  48          2HG2      ILE  48  69.041   0.585  -2.350
  348   3HG2  ILE  48          3HG2      ILE  48  70.701   0.945  -1.876
  349   1HD1  ILE  48          1HD1      ILE  48  69.132   1.023   1.005
  350   2HD1  ILE  48          2HD1      ILE  48  68.489  -0.183   2.119
  351   3HD1  ILE  48          3HD1      ILE  48  67.392   0.756   1.107
  352    H    LYS  49           H        LYS  49  72.480  -2.181  -1.469
  353    HA   LYS  49           HA       LYS  49  73.209  -0.605  -3.857
  354   1HB   LYS  49          2HB       LYS  49  74.520  -0.310  -1.868
  355   2HB   LYS  49          1HB       LYS  49  74.697  -2.051  -1.652
  356   1HG   LYS  49          2HG       LYS  49  76.196  -2.249  -3.461
  357   2HG   LYS  49          1HG       LYS  49  75.717  -0.695  -4.143
  358   1HD   LYS  49          2HD       LYS  49  76.929   0.526  -2.554
  359   2HD   LYS  49          1HD       LYS  49  76.953  -0.812  -1.404
  360   1HE   LYS  49          2HE       LYS  49  78.925  -1.547  -2.243
  361   2HE   LYS  49          1HE       LYS  49  78.252  -1.592  -3.884
  362   1HZ   LYS  49          1HZ       LYS  49  78.949   0.494  -4.336
  363   2HZ   LYS  49          2HZ       LYS  49  80.111   0.153  -3.145
  364   3HZ   LYS  49          3HZ       LYS  49  78.721   1.045  -2.748
  365    H    ASN  50           H        ASN  50  72.388  -3.840  -3.188
  366    HA   ASN  50           HA       ASN  50  73.782  -4.725  -5.692
  367   1HB   ASN  50          2HB       ASN  50  73.773  -5.817  -2.915
  368   2HB   ASN  50          1HB       ASN  50  73.786  -6.980  -4.241
  369   1HD2  ASN  50          1HD2      ASN  50  75.975  -6.060  -2.258
  370   2HD2  ASN  50          2HD2      ASN  50  77.292  -5.666  -3.268
  371    H    GLY  51           H        GLY  51  70.834  -4.445  -4.013
  372   1HA   GLY  51          2HA       GLY  51  68.670  -5.172  -4.620
  373   2HA   GLY  51          1HA       GLY  51  69.385  -5.798  -6.108
  374    H    SER  52           H        SER  52  67.393  -7.297  -4.647
  375    HA   SER  52           HA       SER  52  68.858  -9.809  -4.357
  376   1HB   SER  52          2HB       SER  52  67.865  -9.483  -1.728
  377   2HB   SER  52          1HB       SER  52  69.548  -9.559  -2.237
  378    HG   SER  52           HG       SER  52  67.913  -7.232  -2.201
  379    H    GLN  53           H        GLN  53  67.498 -11.622  -4.082
  380    HA   GLN  53           HA       GLN  53  64.552 -11.059  -4.132
  381   1HB   GLN  53          2HB       GLN  53  64.420 -12.589  -5.835
  382   2HB   GLN  53          1HB       GLN  53  66.143 -12.292  -6.001
  383   1HG   GLN  53          2HG       GLN  53  64.951 -14.503  -4.305
  384   2HG   GLN  53          1HG       GLN  53  65.590 -14.715  -5.928
  385   1HE2  GLN  53          1HE2      GLN  53  66.471 -14.560  -2.589
  386   2HE2  GLN  53          2HE2      GLN  53  68.163 -14.546  -2.813
  387    H    GLY  54           H        GLY  54  63.479 -13.436  -3.449
  388   1HA   GLY  54          2HA       GLY  54  63.027 -14.856  -1.634
  389   2HA   GLY  54          1HA       GLY  54  64.771 -14.902  -1.364
  390    H    VAL  55           H        VAL  55  63.414 -11.780  -1.442
  391    HA   VAL  55           HA       VAL  55  63.909 -11.456   1.463
  392    HB   VAL  55           HB       VAL  55  63.305  -9.569  -0.839
  393   1HG1  VAL  55          1HG1      VAL  55  62.729  -8.910   1.651
  394   2HG1  VAL  55          2HG1      VAL  55  63.559  -7.764   0.598
  395   3HG1  VAL  55          3HG1      VAL  55  64.476  -8.700   1.779
  396   1HG2  VAL  55          1HG2      VAL  55  65.902  -9.321   0.414
  397   2HG2  VAL  55          2HG2      VAL  55  65.514  -9.647  -1.275
  398   3HG2  VAL  55          3HG2      VAL  55  65.641 -10.979  -0.126
  399    H    TRP  56           H        TRP  56  61.452 -10.060  -0.702
  400    HA   TRP  56           HA       TRP  56  59.380 -10.583   1.389
  401   1HB   TRP  56          2HB       TRP  56  59.611  -8.597  -0.896
  402   2HB   TRP  56          1HB       TRP  56  58.253  -8.689   0.221
  403    HD1  TRP  56           HD1      TRP  56  61.731  -7.358  -0.131
  404    HE1  TRP  56           HE1      TRP  56  62.413  -6.098   2.011
  405    HE3  TRP  56           HE3      TRP  56  57.889  -8.712   2.953
  406    HZ2  TRP  56           HZ2      TRP  56  61.457  -5.712   4.677
  407    HZ3  TRP  56           HZ3      TRP  56  57.804  -7.882   5.289
  408    HH2  TRP  56           HH2      TRP  56  59.579  -6.384   6.149
  409    H    GLY  57           H        GLY  57  60.112 -10.691  -2.073
  410   1HA   GLY  57          2HA       GLY  57  58.278 -12.963  -2.428
  411   2HA   GLY  57          1HA       GLY  57  57.847 -11.503  -3.322
  412    HA   PRO  58           HA       PRO  58  60.949 -14.086  -5.743
  413   1HB   PRO  58          2HB       PRO  58  59.057 -14.082  -7.910
  414   2HB   PRO  58          1HB       PRO  58  59.607 -15.456  -6.947
  415   1HG   PRO  58          2HG       PRO  58  57.025 -14.271  -6.915
  416   2HG   PRO  58          1HG       PRO  58  57.632 -15.536  -5.841
  417   1HD   PRO  58          2HD       PRO  58  57.144 -12.710  -5.247
  418   2HD   PRO  58          1HD       PRO  58  57.514 -14.040  -4.121
  419    H    ILE  59           H        ILE  59  59.772 -10.989  -5.722
  420    HA   ILE  59           HA       ILE  59  60.969 -10.270  -8.369
  421    HB   ILE  59           HB       ILE  59  59.420  -8.434  -6.539
  422   1HG1  ILE  59          2HG1      ILE  59  58.276 -10.482  -8.468
  423   2HG1  ILE  59          1HG1      ILE  59  58.015 -10.420  -6.724
  424   1HG2  ILE  59          1HG2      ILE  59  58.775  -8.183  -9.297
  425   2HG2  ILE  59          2HG2      ILE  59  60.528  -8.339  -9.189
  426   3HG2  ILE  59          3HG2      ILE  59  59.699  -7.061  -8.298
  427   1HD1  ILE  59          1HD1      ILE  59  56.096  -9.431  -7.898
  428   2HD1  ILE  59          2HD1      ILE  59  57.169  -8.300  -8.721
  429   3HD1  ILE  59          3HD1      ILE  59  56.949  -8.194  -6.975
  430    HA   PRO  60           HA       PRO  60  64.230  -9.333  -5.151
  431   1HB   PRO  60          2HB       PRO  60  66.039  -9.389  -7.383
  432   2HB   PRO  60          1HB       PRO  60  65.917 -10.540  -6.056
  433   1HG   PRO  60          2HG       PRO  60  65.037 -10.839  -8.811
  434   2HG   PRO  60          1HG       PRO  60  65.101 -12.064  -7.544
  435   1HD   PRO  60          2HD       PRO  60  62.757 -10.920  -8.628
  436   2HD   PRO  60          1HD       PRO  60  62.861 -11.876  -7.127
  437    H    MET  61           H        MET  61  65.294  -7.337  -4.862
  438    HA   MET  61           HA       MET  61  64.380  -5.100  -6.495
  439   1HB   MET  61          2HB       MET  61  64.699  -4.820  -4.142
  440   2HB   MET  61          1HB       MET  61  66.315  -5.511  -4.205
  441   1HG   MET  61          2HG       MET  61  67.155  -3.619  -5.450
  442   2HG   MET  61          1HG       MET  61  65.529  -2.955  -5.633
  443   1HE   MET  61          1HE       MET  61  67.694  -4.545  -2.837
  444   2HE   MET  61          2HE       MET  61  66.014  -4.752  -2.360
  445   3HE   MET  61          3HE       MET  61  67.074  -3.725  -1.397
  446    HA   PRO  62           HA       PRO  62  67.783  -5.513  -9.385
  447   1HB   PRO  62          2HB       PRO  62  67.388  -2.785 -10.216
  448   2HB   PRO  62          1HB       PRO  62  66.883  -4.256 -11.054
  449   1HG   PRO  62          2HG       PRO  62  65.211  -2.348  -9.745
  450   2HG   PRO  62          1HG       PRO  62  64.722  -3.868 -10.500
  451   1HD   PRO  62          2HD       PRO  62  64.868  -3.229  -7.664
  452   2HD   PRO  62          1HD       PRO  62  64.250  -4.711  -8.435
  453    HA   PRO  63           HA       PRO  63  70.877  -3.677  -6.744
  454   1HB   PRO  63          2HB       PRO  63  72.820  -3.816  -8.856
  455   2HB   PRO  63          1HB       PRO  63  72.646  -4.889  -7.464
  456   1HG   PRO  63          2HG       PRO  63  72.015  -5.443 -10.224
  457   2HG   PRO  63          1HG       PRO  63  71.909  -6.532  -8.838
  458   1HD   PRO  63          2HD       PRO  63  69.735  -5.359 -10.296
  459   2HD   PRO  63          1HD       PRO  63  69.633  -6.360  -8.826
  460    H    ASN  64           H        ASN  64  71.273  -1.509  -6.428
  461    HA   ASN  64           HA       ASN  64  70.951   0.323  -8.771
  462   1HB   ASN  64          2HB       ASN  64  70.777   0.831  -5.783
  463   2HB   ASN  64          1HB       ASN  64  70.296   1.948  -7.065
  464   1HD2  ASN  64          1HD2      ASN  64  69.539  -1.323  -5.765
  465   2HD2  ASN  64          2HD2      ASN  64  67.906  -1.303  -6.256
  466    H    ALA  65           H        ALA  65  72.391   2.230  -8.821
  467    HA   ALA  65           HA       ALA  65  75.149   1.541  -8.001
  468   1HB   ALA  65          1HB       ALA  65  75.475   3.774  -9.351
  469   2HB   ALA  65          2HB       ALA  65  73.790   3.528  -9.810
  470   3HB   ALA  65          3HB       ALA  65  75.002   2.313 -10.218
  471    H    VAL  66           H        VAL  66  73.154   2.300  -5.958
  472    HA   VAL  66           HA       VAL  66  73.608   5.037  -5.113
  473    HB   VAL  66           HB       VAL  66  72.445   4.237  -3.083
  474   1HG1  VAL  66          1HG1      VAL  66  71.508   3.927  -5.790
  475   2HG1  VAL  66          2HG1      VAL  66  70.593   4.386  -4.354
  476   3HG1  VAL  66          3HG1      VAL  66  70.778   2.683  -4.775
  477   1HG2  VAL  66          1HG2      VAL  66  73.236   1.572  -4.237
  478   2HG2  VAL  66          2HG2      VAL  66  71.799   1.699  -3.220
  479   3HG2  VAL  66          3HG2      VAL  66  73.379   2.151  -2.576
  480    H    SER  67           H        SER  67  75.620   5.708  -4.432
  481    HA   SER  67           HA       SER  67  77.832   4.163  -3.717
  482   1HB   SER  67          2HB       SER  67  76.830   6.868  -2.794
  483   2HB   SER  67          1HB       SER  67  78.423   6.260  -2.350
  484    HG   SER  67           HG       SER  67  78.404   7.544  -4.284
  485    H    ASP  68           H        ASP  68  78.747   4.119  -1.320
  486    HA   ASP  68           HA       ASP  68  77.079   2.422   0.249
  487   1HB   ASP  68          2HB       ASP  68  79.462   2.373   0.487
  488   2HB   ASP  68          1HB       ASP  68  79.532   4.105   0.820
  489    H    ASP  69           H        ASP  69  78.135   5.729   1.158
  490    HA   ASP  69           HA       ASP  69  76.318   6.137   3.266
  491   1HB   ASP  69          2HB       ASP  69  77.819   7.812   1.300
  492   2HB   ASP  69          1HB       ASP  69  76.582   8.618   2.265
  493    H    GLU  70           H        GLU  70  75.740   6.072  -0.174
  494    HA   GLU  70           HA       GLU  70  73.258   7.565  -0.171
  495   1HB   GLU  70          2HB       GLU  70  74.872   5.866  -1.995
  496   2HB   GLU  70          1HB       GLU  70  73.153   5.981  -2.375
  497   1HG   GLU  70          2HG       GLU  70  74.979   8.359  -1.916
  498   2HG   GLU  70          1HG       GLU  70  74.492   7.758  -3.502
  499    H    ALA  71           H        ALA  71  73.944   4.053  -0.352
  500    HA   ALA  71           HA       ALA  71  71.175   3.266  -0.119
  501   1HB   ALA  71          1HB       ALA  71  73.890   2.052  -0.037
  502   2HB   ALA  71          2HB       ALA  71  72.458   1.533  -0.925
  503   3HB   ALA  71          3HB       ALA  71  72.627   1.136   0.785
  504    H    GLN  72           H        GLN  72  73.556   4.380   2.118
  505    HA   GLN  72           HA       GLN  72  72.480   3.169   4.528
  506   1HB   GLN  72          2HB       GLN  72  74.565   5.044   3.673
  507   2HB   GLN  72          1HB       GLN  72  73.832   5.506   5.209
  508   1HG   GLN  72          2HG       GLN  72  74.478   2.625   4.884
  509   2HG   GLN  72          1HG       GLN  72  75.854   3.719   5.031
  510   1HE2  GLN  72          1HE2      GLN  72  76.261   2.758   7.212
  511   2HE2  GLN  72          2HE2      GLN  72  75.309   3.251   8.538
  512    H    THR  73           H        THR  73  72.237   6.382   3.006
  513    HA   THR  73           HA       THR  73  70.331   7.437   4.908
  514    HB   THR  73           HB       THR  73  70.633   8.250   2.010
  515    HG1  THR  73           HG1      THR  73  72.441   9.495   2.798
  516   1HG2  THR  73          1HG2      THR  73  69.281   9.310   4.230
  517   2HG2  THR  73          2HG2      THR  73  69.576  10.117   2.690
  518   3HG2  THR  73          3HG2      THR  73  70.706  10.328   4.029
  519    H    LEU  74           H        LEU  74  70.165   5.392   2.100
  520    HA   LEU  74           HA       LEU  74  67.331   5.724   1.552
  521   1HB   LEU  74          2HB       LEU  74  69.461   3.673   0.870
  522   2HB   LEU  74          1HB       LEU  74  67.810   3.542   0.275
  523    HG   LEU  74           HG       LEU  74  69.542   5.992  -0.129
  524   1HD1  LEU  74          1HD1      LEU  74  69.590   3.429  -1.460
  525   2HD1  LEU  74          2HD1      LEU  74  70.588   4.852  -1.763
  526   3HD1  LEU  74          3HD1      LEU  74  69.034   4.674  -2.578
  527   1HD2  LEU  74          1HD2      LEU  74  67.541   6.882  -0.691
  528   2HD2  LEU  74          2HD2      LEU  74  66.744   5.312  -0.596
  529   3HD2  LEU  74          3HD2      LEU  74  67.552   5.801  -2.084
  530    H    ALA  75           H        ALA  75  69.312   3.610   3.580
  531    HA   ALA  75           HA       ALA  75  67.225   1.743   4.290
  532   1HB   ALA  75          1HB       ALA  75  69.998   2.340   4.892
  533   2HB   ALA  75          2HB       ALA  75  69.146   0.803   5.034
  534   3HB   ALA  75          3HB       ALA  75  69.123   1.951   6.373
  535    H    LYS  76           H        LYS  76  68.619   4.564   6.027
  536    HA   LYS  76           HA       LYS  76  66.802   4.507   8.232
  537   1HB   LYS  76          2HB       LYS  76  68.789   6.284   6.996
  538   2HB   LYS  76          1HB       LYS  76  67.497   7.164   7.813
  539   1HG   LYS  76          2HG       LYS  76  68.139   5.053   9.548
  540   2HG   LYS  76          1HG       LYS  76  69.693   5.654   8.968
  541   1HD   LYS  76          2HD       LYS  76  68.481   8.010   9.433
  542   2HD   LYS  76          1HD       LYS  76  67.628   7.022  10.619
  543   1HE   LYS  76          2HE       LYS  76  70.617   7.488  10.409
  544   2HE   LYS  76          1HE       LYS  76  69.549   7.845  11.781
  545   1HZ   LYS  76          1HZ       LYS  76  70.366   5.807  12.399
  546   2HZ   LYS  76          2HZ       LYS  76  70.508   5.245  10.802
  547   3HZ   LYS  76          3HZ       LYS  76  68.982   5.326  11.544
  548    H    TRP  77           H        TRP  77  66.571   5.847   4.980
  549    HA   TRP  77           HA       TRP  77  64.239   7.479   5.345
  550   1HB   TRP  77          2HB       TRP  77  65.820   7.548   3.433
  551   2HB   TRP  77          1HB       TRP  77  65.275   5.943   2.940
  552    HD1  TRP  77           HD1      TRP  77  63.397   9.211   3.890
  553    HE1  TRP  77           HE1      TRP  77  61.593   9.624   2.091
  554    HE3  TRP  77           HE3      TRP  77  64.260   5.210   0.857
  555    HZ2  TRP  77           HZ2      TRP  77  60.645   8.410  -0.324
  556    HZ3  TRP  77           HZ3      TRP  77  62.901   4.859  -1.189
  557    HH2  TRP  77           HH2      TRP  77  61.094   6.452  -1.779
  558    H    ILE  78           H        ILE  78  64.622   4.106   4.200
  559    HA   ILE  78           HA       ILE  78  61.859   3.518   3.824
  560    HB   ILE  78           HB       ILE  78  64.367   1.952   4.432
  561   1HG1  ILE  78          2HG1      ILE  78  62.916   1.192   2.065
  562   2HG1  ILE  78          1HG1      ILE  78  63.090   2.947   2.097
  563   1HG2  ILE  78          1HG2      ILE  78  61.542   1.001   4.518
  564   2HG2  ILE  78          2HG2      ILE  78  62.958   0.396   5.379
  565   3HG2  ILE  78          3HG2      ILE  78  62.710  -0.024   3.684
  566   1HD1  ILE  78          1HD1      ILE  78  65.561   1.769   2.943
  567   2HD1  ILE  78          2HD1      ILE  78  65.252   2.757   1.516
  568   3HD1  ILE  78          3HD1      ILE  78  65.063   1.008   1.434
  569    H    LEU  79           H        LEU  79  63.943   2.681   6.626
  570    HA   LEU  79           HA       LEU  79  61.780   1.781   8.287
  571   1HB   LEU  79          2HB       LEU  79  64.666   2.447   8.504
  572   2HB   LEU  79          1HB       LEU  79  63.757   2.458  10.015
  573    HG   LEU  79           HG       LEU  79  63.316   0.163   8.159
  574   1HD1  LEU  79          1HD1      LEU  79  65.904   0.842   8.661
  575   2HD1  LEU  79          2HD1      LEU  79  65.354  -0.822   8.456
  576   3HD1  LEU  79          3HD1      LEU  79  65.553  -0.152  10.076
  577   1HD2  LEU  79          1HD2      LEU  79  62.100  -0.276  10.033
  578   2HD2  LEU  79          2HD2      LEU  79  63.028   0.862  11.012
  579   3HD2  LEU  79          3HD2      LEU  79  63.646  -0.765  10.724
  580    H    SER  80           H        SER  80  62.722   4.937   7.356
  581    HA   SER  80           HA       SER  80  61.641   6.199   9.820
  582   1HB   SER  80          2HB       SER  80  63.723   7.039   8.861
  583   2HB   SER  80          1HB       SER  80  62.949   7.260   7.295
  584    HG   SER  80           HG       SER  80  61.427   8.555   8.915
  585    H    GLN  81           H        GLN  81  60.689   5.413   6.561
  586    HA   GLN  81           HA       GLN  81  58.821   7.351   5.866
  587   1HB   GLN  81          2HB       GLN  81  58.527   4.331   5.736
  588   2HB   GLN  81          1HB       GLN  81  57.641   5.485   4.741
  589   1HG   GLN  81          2HG       GLN  81  60.575   4.803   4.674
  590   2HG   GLN  81          1HG       GLN  81  59.421   4.838   3.343
  591   1HE2  GLN  81          1HE2      GLN  81  59.469   6.701   2.071
  592   2HE2  GLN  81          2HE2      GLN  81  60.144   8.193   2.554
  593    H    LYS  82           H        LYS  82  57.839   4.374   7.606
  594    HA   LYS  82           HA       LYS  82  56.036   4.036   9.105
  595   1HB   LYS  82          2HB       LYS  82  57.752   6.219   9.901
  596   2HB   LYS  82          1HB       LYS  82  56.107   6.525  10.459
  597   1HG   LYS  82          2HG       LYS  82  56.042   4.245  11.448
  598   2HG   LYS  82          1HG       LYS  82  57.717   4.003  10.951
  599   1HD   LYS  82          2HD       LYS  82  58.532   5.604  12.460
  600   2HD   LYS  82          1HD       LYS  82  56.962   6.392  12.618
  601   1HE   LYS  82          2HE       LYS  82  57.540   3.574  13.598
  602   2HE   LYS  82          1HE       LYS  82  57.558   5.015  14.634
  603   1HZ   LYS  82          1HZ       LYS  82  55.300   3.748  13.257
  604   2HZ   LYS  82          2HZ       LYS  82  55.280   5.438  13.436
  605   3HZ   LYS  82          3HZ       LYS  82  55.367   4.435  14.806
  606    HHA  HEM  83           HHA      HEM  83  62.837  -5.066  -1.199
  607    HHB  HEM  83           HHB      HEM  83  65.526   0.682  -0.366
  608    HHC  HEM  83           HHC      HEM  83  64.862   1.732  -6.573
  609    HHD  HEM  83           HHD      HEM  83  61.518  -3.593  -7.126
  610   1HMA  HEM  83          1HMA      HEM  83  64.870  -1.414   2.277
  611   2HMA  HEM  83          2HMA      HEM  83  66.064  -0.547   1.310
  612   3HMA  HEM  83          3HMA      HEM  83  66.362  -2.217   1.788
  613   1HAA  HEM  83          1HAA      HEM  83  63.479  -4.705   1.225
  614   2HAA  HEM  83          2HAA      HEM  83  65.117  -4.279   1.705
  615   1HBA  HEM  83          1HBA      HEM  83  65.760  -5.313  -0.635
  616   2HBA  HEM  83          2HBA      HEM  83  64.204  -6.128  -0.483
  617    H2A  HEM  83          3HBB      HEM  83  67.991   3.665  -6.109
  618   1HMB  HEM  83          1HMB      HEM  83  66.248   2.556  -0.721
  619   2HMB  HEM  83          2HMB      HEM  83  66.154   3.889  -1.873
  620   3HMB  HEM  83          3HMB      HEM  83  67.568   2.835  -1.857
  621    HAB  HEM  83           HAB      HEM  83  65.698   3.235  -5.898
  622   1HBB  HEM  83          1HBB      HEM  83  67.929   2.045  -5.415
  623   2HBB  HEM  83          2HBB      HEM  83  68.285   3.432  -4.386
  624   1HMC  HEM  83          1HMC      HEM  83  63.631   0.414  -9.856
  625   2HMC  HEM  83          2HMC      HEM  83  64.638   1.325  -8.732
  626   3HMC  HEM  83          3HMC      HEM  83  62.907   1.648  -8.828
  627    HAC  HEM  83           HAC      HEM  83  61.238  -2.657  -8.702
  628   1HBC  HEM  83          1HBC      HEM  83  63.164  -2.802 -10.207
  629   2HBC  HEM  83          2HBC      HEM  83  62.941  -1.116 -10.672
  630   1HMD  HEM  83          1HMD      HEM  83  60.198  -6.647  -5.390
  631   2HMD  HEM  83          2HMD      HEM  83  61.016  -5.882  -6.752
  632   3HMD  HEM  83          3HMD      HEM  83  59.602  -5.114  -6.029
  633   1HAD  HEM  83          1HAD      HEM  83  60.488  -7.016  -3.293
  634   2HAD  HEM  83          2HAD      HEM  83  61.377  -6.484  -1.867
  635   1HBD  HEM  83          1HBD      HEM  83  63.293  -7.596  -2.481
  636   2HBD  HEM  83          2HBD      HEM  83  62.989  -7.383  -4.206
  637    H2D  HEM  83          3HBC      HEM  83  61.717  -2.315 -11.088
  Start of MODEL   11
    1   1H    GLU   1          1H        GLU   1  69.542  18.160   2.495
    2   2H    GLU   1          2H        GLU   1  68.583  18.798   1.247
    3   3H    GLU   1          3H        GLU   1  70.277  18.852   1.132
    4    HA   GLU   1           HA       GLU   1  68.946  17.025  -0.154
    5   1HB   GLU   1          2HB       GLU   1  71.548  17.232   1.220
    6   2HB   GLU   1          1HB       GLU   1  71.108  15.587   0.757
    7   1HG   GLU   1          2HG       GLU   1  70.675  16.366  -1.557
    8   2HG   GLU   1          1HG       GLU   1  71.165  17.996  -1.088
    9    H    ASP   2           H        ASP   2  67.007  16.700   1.448
   10    HA   ASP   2           HA       ASP   2  67.285  14.959   3.722
   11   1HB   ASP   2          2HB       ASP   2  65.142  16.046   1.962
   12   2HB   ASP   2          1HB       ASP   2  64.728  14.618   2.909
   13    HA   PRO   3           HA       PRO   3  67.631  10.936   2.003
   14   1HB   PRO   3          2HB       PRO   3  65.379   9.807   3.386
   15   2HB   PRO   3          1HB       PRO   3  67.087   9.690   3.818
   16   1HG   PRO   3          2HG       PRO   3  65.038  11.212   5.135
   17   2HG   PRO   3          1HG       PRO   3  66.748  11.090   5.563
   18   1HD   PRO   3          2HD       PRO   3  65.372  13.349   4.409
   19   2HD   PRO   3          1HD       PRO   3  67.099  13.219   4.828
   20    H    GLU   4           H        GLU   4  64.223  11.964   2.290
   21    HA   GLU   4           HA       GLU   4  63.015  10.355   0.351
   22   1HB   GLU   4          2HB       GLU   4  61.477  12.329   0.076
   23   2HB   GLU   4          1HB       GLU   4  61.811  11.936   1.763
   24   1HG   GLU   4          2HG       GLU   4  63.746  13.654   1.559
   25   2HG   GLU   4          1HG       GLU   4  62.904  14.208   0.110
   26    H    VAL   5           H        VAL   5  64.749  13.438  -0.165
   27    HA   VAL   5           HA       VAL   5  64.430  13.729  -2.937
   28    HB   VAL   5           HB       VAL   5  66.717  14.265  -1.028
   29   1HG1  VAL   5          1HG1      VAL   5  66.447  15.177  -3.909
   30   2HG1  VAL   5          2HG1      VAL   5  67.624  14.006  -3.315
   31   3HG1  VAL   5          3HG1      VAL   5  67.703  15.685  -2.780
   32   1HG2  VAL   5          1HG2      VAL   5  65.874  16.475  -0.970
   33   2HG2  VAL   5          2HG2      VAL   5  64.423  15.472  -0.948
   34   3HG2  VAL   5          3HG2      VAL   5  64.936  16.249  -2.446
   35    H    LEU   6           H        LEU   6  66.893  11.853  -1.179
   36    HA   LEU   6           HA       LEU   6  68.336  10.818  -3.380
   37   1HB   LEU   6          2HB       LEU   6  67.599   9.530  -0.731
   38   2HB   LEU   6          1HB       LEU   6  68.940   9.035  -1.762
   39    HG   LEU   6           HG       LEU   6  68.616  11.731  -0.412
   40   1HD1  LEU   6          1HD1      LEU   6  71.055  10.277   0.127
   41   2HD1  LEU   6          2HD1      LEU   6  69.658   9.268   0.503
   42   3HD1  LEU   6          3HD1      LEU   6  69.835  10.850   1.265
   43   1HD2  LEU   6          1HD2      LEU   6  70.275  10.777  -2.660
   44   2HD2  LEU   6          2HD2      LEU   6  71.185  11.575  -1.378
   45   3HD2  LEU   6          3HD2      LEU   6  69.869  12.427  -2.185
   46    H    ALA   7           H        ALA   7  65.567   9.388  -1.657
   47    HA   ALA   7           HA       ALA   7  65.222   7.043  -3.147
   48   1HB   ALA   7          1HB       ALA   7  63.211   8.958  -1.928
   49   2HB   ALA   7          2HB       ALA   7  63.981   7.588  -1.127
   50   3HB   ALA   7          3HB       ALA   7  62.825   7.313  -2.429
   51    H    LYS   8           H        LYS   8  64.515  10.356  -4.046
   52    HA   LYS   8           HA       LYS   8  62.848   9.611  -6.345
   53   1HB   LYS   8          2HB       LYS   8  63.906  12.076  -5.025
   54   2HB   LYS   8          1HB       LYS   8  63.383  12.208  -6.704
   55   1HG   LYS   8          2HG       LYS   8  61.540  10.704  -4.952
   56   2HG   LYS   8          1HG       LYS   8  61.697  12.418  -4.565
   57   1HD   LYS   8          2HD       LYS   8  61.532  12.137  -7.414
   58   2HD   LYS   8          1HD       LYS   8  60.201  11.244  -6.679
   59   1HE   LYS   8          2HE       LYS   8  60.679  13.876  -5.436
   60   2HE   LYS   8          1HE       LYS   8  60.163  13.956  -7.133
   61   1HZ   LYS   8          1HZ       LYS   8  58.266  13.785  -5.602
   62   2HZ   LYS   8          2HZ       LYS   8  58.863  12.299  -5.035
   63   3HZ   LYS   8          3HZ       LYS   8  58.357  12.455  -6.650
   64    H    ASN   9           H        ASN   9  66.046  11.273  -6.044
   65    HA   ASN   9           HA       ASN   9  66.660  11.114  -8.843
   66   1HB   ASN   9          2HB       ASN   9  68.627  11.151  -6.541
   67   2HB   ASN   9          1HB       ASN   9  68.814  11.884  -8.135
   68   1HD2  ASN   9          1HD2      ASN   9  67.714  12.450  -4.925
   69   2HD2  ASN   9          2HD2      ASN   9  66.962  13.953  -5.210
   70    H    LYS  10           H        LYS  10  66.574   8.669  -6.460
   71    HA   LYS  10           HA       LYS  10  68.558   6.974  -7.909
   72   1HB   LYS  10          2HB       LYS  10  67.088   6.718  -5.263
   73   2HB   LYS  10          1HB       LYS  10  68.262   5.543  -5.866
   74   1HG   LYS  10          2HG       LYS  10  68.788   8.466  -5.250
   75   2HG   LYS  10          1HG       LYS  10  69.387   7.079  -4.341
   76   1HD   LYS  10          2HD       LYS  10  70.585   6.310  -6.399
   77   2HD   LYS  10          1HD       LYS  10  70.076   7.794  -7.205
   78   1HE   LYS  10          2HE       LYS  10  71.188   9.065  -5.278
   79   2HE   LYS  10          1HE       LYS  10  71.932   7.517  -4.828
   80   1HZ   LYS  10          1HZ       LYS  10  72.082   8.823  -7.496
   81   2HZ   LYS  10          2HZ       LYS  10  72.725   7.296  -7.119
   82   3HZ   LYS  10          3HZ       LYS  10  73.353   8.692  -6.380
   83    H    GLY  11           H        GLY  11  65.177   7.506  -7.596
   84   1HA   GLY  11          2HA       GLY  11  63.478   6.467  -8.902
   85   2HA   GLY  11          1HA       GLY  11  64.631   5.213  -9.356
   86    H    CYS  12           H        CYS  12  64.629   5.815  -6.005
   87    HA   CYS  12           HA       CYS  12  63.746   3.182  -5.336
   88   1HB   CYS  12          2HB       CYS  12  63.720   5.665  -3.603
   89   2HB   CYS  12          1HB       CYS  12  63.921   3.998  -3.065
   90    H    MET  13           H        MET  13  62.036   6.311  -5.341
   91    HA   MET  13           HA       MET  13  59.576   5.232  -4.239
   92   1HB   MET  13          2HB       MET  13  59.981   7.736  -5.895
   93   2HB   MET  13          1HB       MET  13  58.779   7.459  -4.631
   94   1HG   MET  13          2HG       MET  13  61.307   6.950  -3.459
   95   2HG   MET  13          1HG       MET  13  61.468   8.455  -4.365
   96   1HE   MET  13          1HE       MET  13  58.984   6.422  -2.714
   97   2HE   MET  13          2HE       MET  13  57.693   7.614  -2.611
   98   3HE   MET  13          3HE       MET  13  58.609   7.194  -1.167
   99    H    ALA  14           H        ALA  14  60.992   4.615  -7.170
  100    HA   ALA  14           HA       ALA  14  58.703   4.931  -8.937
  101   1HB   ALA  14          1HB       ALA  14  61.210   4.890  -9.482
  102   2HB   ALA  14          2HB       ALA  14  60.166   3.947 -10.546
  103   3HB   ALA  14          3HB       ALA  14  61.109   3.140  -9.293
  104    H    CYS  15           H        CYS  15  60.298   2.097  -7.450
  105    HA   CYS  15           HA       CYS  15  57.938   0.426  -8.154
  106   1HB   CYS  15          2HB       CYS  15  60.676  -0.205  -7.011
  107   2HB   CYS  15          1HB       CYS  15  59.487  -1.402  -7.516
  108    H    HIS  16           H        HIS  16  59.301   2.104  -5.457
  109    HA   HIS  16           HA       HIS  16  57.890   0.323  -3.518
  110   1HB   HIS  16          2HB       HIS  16  60.192   2.216  -3.502
  111   2HB   HIS  16          1HB       HIS  16  59.284   2.029  -1.999
  112    HD1  HIS  16           HD1      HIS  16  58.756  -0.734  -1.540
  113    HD2  HIS  16           HD2      HIS  16  62.207   0.345  -3.626
  114    HE1  HIS  16           HE1      HIS  16  60.335  -2.706  -1.378
  115    H    ALA  17           H        ALA  17  57.000   1.575  -1.581
  116    HA   ALA  17           HA       ALA  17  55.810   4.215  -2.218
  117   1HB   ALA  17          1HB       ALA  17  54.479   1.853  -2.789
  118   2HB   ALA  17          2HB       ALA  17  53.695   3.406  -2.507
  119   3HB   ALA  17          3HB       ALA  17  53.870   2.254  -1.184
  120    H    ILE  18           H        ILE  18  54.326   4.739  -0.107
  121    HA   ILE  18           HA       ILE  18  56.134   4.318   2.206
  122    HB   ILE  18           HB       ILE  18  53.604   5.963   1.846
  123   1HG1  ILE  18          2HG1      ILE  18  55.801   7.661   1.945
  124   2HG1  ILE  18          1HG1      ILE  18  56.370   6.320   0.951
  125   1HG2  ILE  18          1HG2      ILE  18  55.721   5.803   3.993
  126   2HG2  ILE  18          2HG2      ILE  18  53.968   5.737   4.174
  127   3HG2  ILE  18          3HG2      ILE  18  54.754   7.262   3.766
  128   1HD1  ILE  18          1HD1      ILE  18  53.671   6.987   0.199
  129   2HD1  ILE  18          2HD1      ILE  18  55.133   7.032  -0.787
  130   3HD1  ILE  18          3HD1      ILE  18  54.667   8.443   0.164
  131    H    ASP  19           H        ASP  19  53.004   3.256   1.045
  132    HA   ASP  19           HA       ASP  19  52.815   1.345   3.286
  133   1HB   ASP  19          2HB       ASP  19  50.572   2.231   3.939
  134   2HB   ASP  19          1HB       ASP  19  51.864   3.401   4.204
  135    H    THR  20           H        THR  20  51.576   2.581   0.217
  136    HA   THR  20           HA       THR  20  49.543   0.585  -0.192
  137    HB   THR  20           HB       THR  20  49.685   1.424  -2.516
  138    HG1  THR  20           HG1      THR  20  51.354   2.757  -3.097
  139   1HG2  THR  20          1HG2      THR  20  49.575   3.162  -0.140
  140   2HG2  THR  20          2HG2      THR  20  48.446   3.024  -1.488
  141   3HG2  THR  20          3HG2      THR  20  49.897   4.015  -1.649
  142    H    LYS  21           H        LYS  21  49.983  -0.760  -2.468
  143    HA   LYS  21           HA       LYS  21  52.521  -2.272  -2.012
  144   1HB   LYS  21          2HB       LYS  21  49.945  -3.101  -1.542
  145   2HB   LYS  21          1HB       LYS  21  50.225  -3.704  -3.176
  146   1HG   LYS  21          2HG       LYS  21  52.037  -5.042  -2.512
  147   2HG   LYS  21          1HG       LYS  21  52.295  -4.121  -1.030
  148   1HD   LYS  21          2HD       LYS  21  50.952  -5.523   0.105
  149   2HD   LYS  21          1HD       LYS  21  49.625  -5.177  -1.006
  150   1HE   LYS  21          2HE       LYS  21  51.078  -6.832  -2.577
  151   2HE   LYS  21          1HE       LYS  21  51.513  -7.478  -0.982
  152   1HZ   LYS  21          1HZ       LYS  21  48.718  -6.759  -1.432
  153   2HZ   LYS  21          2HZ       LYS  21  49.376  -8.021  -0.503
  154   3HZ   LYS  21          3HZ       LYS  21  49.279  -8.169  -2.193
  155    H    MET  22           H        MET  22  53.771  -1.590  -3.743
  156    HA   MET  22           HA       MET  22  52.530  -1.608  -6.471
  157   1HB   MET  22          2HB       MET  22  55.147  -0.416  -5.486
  158   2HB   MET  22          1HB       MET  22  54.365  -0.107  -7.040
  159   1HG   MET  22          2HG       MET  22  52.482   0.409  -4.933
  160   2HG   MET  22          1HG       MET  22  53.974   1.284  -4.593
  161   1HE   MET  22          1HE       MET  22  53.929   3.595  -5.103
  162   2HE   MET  22          2HE       MET  22  54.036   4.166  -6.767
  163   3HE   MET  22          3HE       MET  22  55.143   2.920  -6.197
  164    H    VAL  23           H        VAL  23  55.630  -1.682  -7.205
  165    HA   VAL  23           HA       VAL  23  55.709  -4.506  -7.830
  166    HB   VAL  23           HB       VAL  23  57.713  -2.232  -7.861
  167   1HG1  VAL  23          1HG1      VAL  23  59.393  -3.661  -8.330
  168   2HG1  VAL  23          2HG1      VAL  23  58.410  -4.507  -9.525
  169   3HG1  VAL  23          3HG1      VAL  23  58.328  -4.973  -7.827
  170   1HG2  VAL  23          1HG2      VAL  23  57.394  -2.804 -10.408
  171   2HG2  VAL  23          2HG2      VAL  23  56.159  -1.860  -9.574
  172   3HG2  VAL  23          3HG2      VAL  23  55.912  -3.583  -9.856
  173    H    GLY  24           H        GLY  24  57.465  -2.469  -5.496
  174   1HA   GLY  24          2HA       GLY  24  58.418  -4.920  -4.105
  175   2HA   GLY  24          1HA       GLY  24  59.055  -3.289  -3.851
  176    HA   PRO  25           HA       PRO  25  55.670  -4.474  -0.719
  177   1HB   PRO  25          2HB       PRO  25  57.662  -4.462   1.355
  178   2HB   PRO  25          1HB       PRO  25  56.698  -5.827   0.785
  179   1HG   PRO  25          2HG       PRO  25  59.491  -5.422   0.411
  180   2HG   PRO  25          1HG       PRO  25  58.493  -6.712  -0.264
  181   1HD   PRO  25          2HD       PRO  25  59.642  -4.405  -1.632
  182   2HD   PRO  25          1HD       PRO  25  58.804  -5.809  -2.334
  183    H    ALA  26           H        ALA  26  54.739  -2.783   0.493
  184    HA   ALA  26           HA       ALA  26  55.406  -0.113   0.149
  185   1HB   ALA  26          1HB       ALA  26  54.445  -0.843   2.853
  186   2HB   ALA  26          2HB       ALA  26  53.539  -1.567   1.524
  187   3HB   ALA  26          3HB       ALA  26  53.690   0.186   1.636
  188    H    TYR  27           H        TYR  27  56.281   1.422   1.926
  189    HA   TYR  27           HA       TYR  27  58.921   0.424   2.781
  190   1HB   TYR  27          2HB       TYR  27  57.478   3.040   2.533
  191   2HB   TYR  27          1HB       TYR  27  58.881   2.962   3.594
  192    HD1  TYR  27           HD1      TYR  27  58.288   4.307   0.705
  193    HD2  TYR  27           HD2      TYR  27  60.541   0.933   2.118
  194    HE1  TYR  27           HE1      TYR  27  59.796   4.492  -1.252
  195    HE2  TYR  27           HE2      TYR  27  62.044   1.120   0.159
  196    HH   TYR  27           HH       TYR  27  62.751   2.736  -1.465
  197    H    LYS  28           H        LYS  28  56.170   2.077   4.395
  198    HA   LYS  28           HA       LYS  28  57.012   1.877   7.055
  199   1HB   LYS  28          2HB       LYS  28  54.887   2.870   5.859
  200   2HB   LYS  28          1HB       LYS  28  54.171   1.306   6.250
  201   1HG   LYS  28          2HG       LYS  28  55.598   2.359   8.537
  202   2HG   LYS  28          1HG       LYS  28  54.412   3.530   7.961
  203   1HD   LYS  28          2HD       LYS  28  53.836   0.614   8.569
  204   2HD   LYS  28          1HD       LYS  28  53.417   1.973   9.612
  205   1HE   LYS  28          2HE       LYS  28  52.352   1.415   6.823
  206   2HE   LYS  28          1HE       LYS  28  51.432   1.470   8.339
  207   1HZ   LYS  28          1HZ       LYS  28  52.609   3.669   6.801
  208   2HZ   LYS  28          2HZ       LYS  28  52.584   3.811   8.494
  209   3HZ   LYS  28          3HZ       LYS  28  51.133   3.606   7.634
  210    H    ASP  29           H        ASP  29  55.100  -0.515   5.222
  211    HA   ASP  29           HA       ASP  29  54.845  -2.495   7.220
  212   1HB   ASP  29          2HB       ASP  29  54.958  -2.403   4.228
  213   2HB   ASP  29          1HB       ASP  29  54.988  -3.984   5.011
  214    H    VAL  30           H        VAL  30  57.504  -1.975   4.891
  215    HA   VAL  30           HA       VAL  30  59.086  -4.236   5.495
  216    HB   VAL  30           HB       VAL  30  59.758  -1.389   4.710
  217   1HG1  VAL  30          1HG1      VAL  30  61.785  -3.134   3.831
  218   2HG1  VAL  30          2HG1      VAL  30  61.507  -3.555   5.522
  219   3HG1  VAL  30          3HG1      VAL  30  61.922  -1.898   5.083
  220   1HG2  VAL  30          1HG2      VAL  30  59.913  -3.846   2.975
  221   2HG2  VAL  30          2HG2      VAL  30  59.678  -2.165   2.497
  222   3HG2  VAL  30          3HG2      VAL  30  58.358  -3.061   3.248
  223    H    ALA  31           H        ALA  31  58.879  -1.098   7.146
  224    HA   ALA  31           HA       ALA  31  61.032  -1.684   9.021
  225   1HB   ALA  31          1HB       ALA  31  59.054   0.306   9.831
  226   2HB   ALA  31          2HB       ALA  31  59.545   0.514   8.150
  227   3HB   ALA  31          3HB       ALA  31  60.756   0.529   9.432
  228    H    ALA  32           H        ALA  32  57.563  -2.217   8.926
  229    HA   ALA  32           HA       ALA  32  57.175  -2.636  11.758
  230   1HB   ALA  32          1HB       ALA  32  55.728  -3.255   9.196
  231   2HB   ALA  32          2HB       ALA  32  55.243  -2.185  10.511
  232   3HB   ALA  32          3HB       ALA  32  55.134  -3.934  10.711
  233    H    LYS  33           H        LYS  33  58.247  -4.687   9.103
  234    HA   LYS  33           HA       LYS  33  57.988  -7.161  10.665
  235   1HB   LYS  33          2HB       LYS  33  57.618  -7.415   8.356
  236   2HB   LYS  33          1HB       LYS  33  58.954  -6.344   7.930
  237   1HG   LYS  33          2HG       LYS  33  60.468  -8.030   7.986
  238   2HG   LYS  33          1HG       LYS  33  59.799  -8.695   9.476
  239   1HD   LYS  33          2HD       LYS  33  57.796  -9.321   7.778
  240   2HD   LYS  33          1HD       LYS  33  59.153  -9.354   6.652
  241   1HE   LYS  33          2HE       LYS  33  60.367 -10.856   8.301
  242   2HE   LYS  33          1HE       LYS  33  58.839 -10.975   9.196
  243   1HZ   LYS  33          1HZ       LYS  33  58.551 -12.674   7.717
  244   2HZ   LYS  33          2HZ       LYS  33  59.500 -11.946   6.510
  245   3HZ   LYS  33          3HZ       LYS  33  57.915 -11.402   6.792
  246    H    TYR  34           H        TYR  34  60.688  -5.169   9.381
  247    HA   TYR  34           HA       TYR  34  62.708  -6.759  10.769
  248   1HB   TYR  34          2HB       TYR  34  62.603  -4.187   9.195
  249   2HB   TYR  34          1HB       TYR  34  64.092  -4.678  10.014
  250    HD1  TYR  34           HD1      TYR  34  65.598  -5.974   8.811
  251    HD2  TYR  34           HD2      TYR  34  61.419  -6.189   7.841
  252    HE1  TYR  34           HE1      TYR  34  66.109  -7.539   6.957
  253    HE2  TYR  34           HE2      TYR  34  61.930  -7.755   5.989
  254    HH   TYR  34           HH       TYR  34  65.107  -9.134   5.572
  255    H    ALA  35           H        ALA  35  60.451  -4.523  11.841
  256    HA   ALA  35           HA       ALA  35  61.797  -2.775  13.581
  257   1HB   ALA  35          1HB       ALA  35  59.416  -2.666  13.205
  258   2HB   ALA  35          2HB       ALA  35  59.645  -2.999  14.920
  259   3HB   ALA  35          3HB       ALA  35  59.188  -4.301  13.823
  260    H    GLY  36           H        GLY  36  63.220  -3.231  15.212
  261   1HA   GLY  36          2HA       GLY  36  63.325  -4.385  17.481
  262   2HA   GLY  36          1HA       GLY  36  62.955  -5.868  16.601
  263    H    GLN  37           H        GLN  37  64.610  -5.320  14.312
  264    HA   GLN  37           HA       GLN  37  67.116  -6.379  15.198
  265   1HB   GLN  37          2HB       GLN  37  66.307  -4.917  12.660
  266   2HB   GLN  37          1HB       GLN  37  67.761  -5.901  12.839
  267   1HG   GLN  37          2HG       GLN  37  65.500  -7.417  13.755
  268   2HG   GLN  37          1HG       GLN  37  65.149  -6.779  12.147
  269   1HE2  GLN  37          1HE2      GLN  37  66.179  -7.776  10.380
  270   2HE2  GLN  37          2HE2      GLN  37  67.392  -8.965  10.529
  271    H    ALA  38           H        ALA  38  68.815  -5.307  16.128
  272    HA   ALA  38           HA       ALA  38  68.773  -2.374  16.320
  273   1HB   ALA  38          1HB       ALA  38  69.364  -3.489  18.305
  274   2HB   ALA  38          2HB       ALA  38  70.933  -3.006  17.659
  275   3HB   ALA  38          3HB       ALA  38  70.365  -4.663  17.454
  276    H    GLY  39           H        GLY  39  69.144  -3.161  13.626
  277   1HA   GLY  39          2HA       GLY  39  71.242  -1.647  12.696
  278   2HA   GLY  39          1HA       GLY  39  72.002  -3.206  13.013
  279    H    ALA  40           H        ALA  40  68.702  -2.615  11.816
  280    HA   ALA  40           HA       ALA  40  69.113  -4.541   9.651
  281   1HB   ALA  40          1HB       ALA  40  66.806  -2.647  10.204
  282   2HB   ALA  40          2HB       ALA  40  67.007  -4.204  11.005
  283   3HB   ALA  40          3HB       ALA  40  66.747  -4.137   9.262
  284    H    GLU  41           H        GLU  41  69.615  -1.180  10.052
  285    HA   GLU  41           HA       GLU  41  69.054  -0.340   7.323
  286   1HB   GLU  41          2HB       GLU  41  70.038   1.738   8.089
  287   2HB   GLU  41          1HB       GLU  41  69.096   1.075   9.425
  288   1HG   GLU  41          2HG       GLU  41  71.701  -0.049   9.610
  289   2HG   GLU  41          1HG       GLU  41  71.900   1.685   9.354
  290    H    ALA  42           H        ALA  42  71.739  -1.867   8.948
  291    HA   ALA  42           HA       ALA  42  73.806  -1.095   7.065
  292   1HB   ALA  42          1HB       ALA  42  74.898  -1.966   8.853
  293   2HB   ALA  42          2HB       ALA  42  74.455  -3.562   8.247
  294   3HB   ALA  42          3HB       ALA  42  73.428  -2.753   9.431
  295    H    TYR  43           H        TYR  43  71.910  -4.110   7.496
  296    HA   TYR  43           HA       TYR  43  72.903  -5.325   5.059
  297   1HB   TYR  43          2HB       TYR  43  72.050  -6.711   6.820
  298   2HB   TYR  43          1HB       TYR  43  70.566  -5.762   6.943
  299    HD1  TYR  43           HD1      TYR  43  68.663  -6.326   5.672
  300    HD2  TYR  43           HD2      TYR  43  72.479  -8.010   4.653
  301    HE1  TYR  43           HE1      TYR  43  67.559  -7.841   4.049
  302    HE2  TYR  43           HE2      TYR  43  71.377  -9.527   3.029
  303    HH   TYR  43           HH       TYR  43  68.507 -10.417   3.004
  304    H    LEU  44           H        LEU  44  70.161  -3.273   5.898
  305    HA   LEU  44           HA       LEU  44  68.676  -3.516   3.462
  306   1HB   LEU  44          2HB       LEU  44  69.035  -1.464   5.644
  307   2HB   LEU  44          1HB       LEU  44  68.024  -1.090   4.245
  308    HG   LEU  44           HG       LEU  44  67.684  -3.541   5.999
  309   1HD1  LEU  44          1HD1      LEU  44  66.845  -1.973   7.439
  310   2HD1  LEU  44          2HD1      LEU  44  65.443  -2.062   6.373
  311   3HD1  LEU  44          3HD1      LEU  44  66.627  -0.772   6.166
  312   1HD2  LEU  44          1HD2      LEU  44  66.225  -4.250   4.433
  313   2HD2  LEU  44          2HD2      LEU  44  66.790  -2.946   3.390
  314   3HD2  LEU  44          3HD2      LEU  44  65.396  -2.693   4.439
  315    H    ALA  45           H        ALA  45  71.559  -1.718   4.379
  316    HA   ALA  45           HA       ALA  45  71.611  -0.023   2.015
  317   1HB   ALA  45          1HB       ALA  45  74.192  -0.386   3.168
  318   2HB   ALA  45          2HB       ALA  45  73.021  -0.412   4.485
  319   3HB   ALA  45          3HB       ALA  45  73.092   0.974   3.398
  320    H    GLN  46           H        GLN  46  73.120  -3.121   2.958
  321    HA   GLN  46           HA       GLN  46  74.714  -3.322   0.528
  322   1HB   GLN  46          2HB       GLN  46  74.556  -4.565   3.014
  323   2HB   GLN  46          1HB       GLN  46  74.011  -5.817   1.897
  324   1HG   GLN  46          2HG       GLN  46  76.050  -5.281   0.477
  325   2HG   GLN  46          1HG       GLN  46  76.627  -4.295   1.821
  326   1HE2  GLN  46          1HE2      GLN  46  75.381  -6.205   3.827
  327   2HE2  GLN  46          2HE2      GLN  46  76.427  -7.553   3.851
  328    H    ARG  47           H        ARG  47  71.415  -3.971   1.346
  329    HA   ARG  47           HA       ARG  47  70.999  -5.822  -0.925
  330   1HB   ARG  47          2HB       ARG  47  69.262  -4.604   1.241
  331   2HB   ARG  47          1HB       ARG  47  68.622  -5.672  -0.008
  332   1HG   ARG  47          2HG       ARG  47  71.022  -6.565   1.541
  333   2HG   ARG  47          1HG       ARG  47  69.436  -6.660   2.308
  334   1HD   ARG  47          2HD       ARG  47  68.714  -8.331   0.905
  335   2HD   ARG  47          1HD       ARG  47  69.610  -7.688  -0.484
  336    HE   ARG  47           HE       ARG  47  71.564  -8.495   1.357
  337   1HH1  ARG  47          1HH1      ARG  47  68.933  -9.897  -0.388
  338   2HH1  ARG  47          2HH1      ARG  47  69.666 -11.461  -0.492
  339   1HH2  ARG  47          1HH2      ARG  47  72.530 -10.531   1.228
  340   2HH2  ARG  47          2HH2      ARG  47  71.700 -11.821   0.422
  341    H    ILE  48           H        ILE  48  70.664  -2.442  -0.130
  342    HA   ILE  48           HA       ILE  48  68.907  -1.867  -2.429
  343    HB   ILE  48           HB       ILE  48  70.376  -0.156  -0.392
  344   1HG1  ILE  48          2HG1      ILE  48  67.401  -0.631  -0.570
  345   2HG1  ILE  48          1HG1      ILE  48  68.441  -1.765   0.290
  346   1HG2  ILE  48          1HG2      ILE  48  68.299   0.566  -2.482
  347   2HG2  ILE  48          2HG2      ILE  48  69.963   1.145  -2.404
  348   3HG2  ILE  48          3HG2      ILE  48  68.802   1.634  -1.170
  349   1HD1  ILE  48          1HD1      ILE  48  67.813  -0.261   1.982
  350   2HD1  ILE  48          2HD1      ILE  48  67.899   1.132   0.904
  351   3HD1  ILE  48          3HD1      ILE  48  69.382   0.363   1.471
  352    H    LYS  49           H        LYS  49  72.292  -2.055  -1.699
  353    HA   LYS  49           HA       LYS  49  73.124  -0.336  -3.939
  354   1HB   LYS  49          2HB       LYS  49  74.188  -0.844  -1.556
  355   2HB   LYS  49          1HB       LYS  49  74.933  -2.184  -2.428
  356   1HG   LYS  49          2HG       LYS  49  75.360  -0.158  -4.191
  357   2HG   LYS  49          1HG       LYS  49  75.421   0.728  -2.667
  358   1HD   LYS  49          2HD       LYS  49  77.500  -0.048  -2.310
  359   2HD   LYS  49          1HD       LYS  49  76.872  -1.696  -2.298
  360   1HE   LYS  49          2HE       LYS  49  76.893  -1.216  -4.979
  361   2HE   LYS  49          1HE       LYS  49  78.283  -0.242  -4.462
  362   1HZ   LYS  49          1HZ       LYS  49  77.930  -2.901  -3.282
  363   2HZ   LYS  49          2HZ       LYS  49  79.361  -2.043  -3.604
  364   3HZ   LYS  49          3HZ       LYS  49  78.526  -2.814  -4.868
  365    H    ASN  50           H        ASN  50  72.528  -3.730  -3.328
  366    HA   ASN  50           HA       ASN  50  73.607  -4.361  -6.060
  367   1HB   ASN  50          2HB       ASN  50  73.590  -6.023  -3.518
  368   2HB   ASN  50          1HB       ASN  50  74.204  -6.568  -5.079
  369   1HD2  ASN  50          1HD2      ASN  50  74.934  -4.631  -2.258
  370   2HD2  ASN  50          2HD2      ASN  50  76.496  -4.150  -2.752
  371    H    GLY  51           H        GLY  51  70.879  -4.244  -4.078
  372   1HA   GLY  51          2HA       GLY  51  68.719  -5.160  -4.231
  373   2HA   GLY  51          1HA       GLY  51  69.041  -5.220  -5.965
  374    H    SER  52           H        SER  52  67.505  -7.253  -5.082
  375    HA   SER  52           HA       SER  52  68.738  -9.658  -5.830
  376   1HB   SER  52          2HB       SER  52  70.357  -9.552  -4.140
  377   2HB   SER  52          1HB       SER  52  69.240  -8.832  -2.985
  378    HG   SER  52           HG       SER  52  68.376 -10.774  -2.594
  379    H    GLN  53           H        GLN  53  67.526 -11.646  -5.048
  380    HA   GLN  53           HA       GLN  53  64.713 -10.923  -4.364
  381   1HB   GLN  53          2HB       GLN  53  64.107 -12.813  -5.589
  382   2HB   GLN  53          1HB       GLN  53  65.583 -12.340  -6.414
  383   1HG   GLN  53          2HG       GLN  53  65.461 -14.405  -4.200
  384   2HG   GLN  53          1HG       GLN  53  65.481 -14.785  -5.918
  385   1HE2  GLN  53          1HE2      GLN  53  67.484 -14.155  -3.212
  386   2HE2  GLN  53          2HE2      GLN  53  68.954 -13.961  -4.055
  387    H    GLY  54           H        GLY  54  63.848 -13.351  -3.298
  388   1HA   GLY  54          2HA       GLY  54  63.779 -14.537  -1.267
  389   2HA   GLY  54          1HA       GLY  54  65.538 -14.366  -1.207
  390    H    VAL  55           H        VAL  55  63.753 -11.482  -1.610
  391    HA   VAL  55           HA       VAL  55  64.532 -10.571   1.106
  392    HB   VAL  55           HB       VAL  55  63.257  -8.950  -1.105
  393   1HG1  VAL  55          1HG1      VAL  55  65.590  -8.047   0.497
  394   2HG1  VAL  55          2HG1      VAL  55  64.059  -8.230   1.354
  395   3HG1  VAL  55          3HG1      VAL  55  64.169  -7.147  -0.034
  396   1HG2  VAL  55          1HG2      VAL  55  66.137  -9.891  -0.945
  397   2HG2  VAL  55          2HG2      VAL  55  65.590  -8.570  -1.977
  398   3HG2  VAL  55          3HG2      VAL  55  64.991 -10.205  -2.249
  399    H    TRP  56           H        TRP  56  61.706  -9.962  -0.986
  400    HA   TRP  56           HA       TRP  56  59.921 -10.425   1.372
  401   1HB   TRP  56          2HB       TRP  56  59.909  -8.390  -0.873
  402   2HB   TRP  56          1HB       TRP  56  58.537  -8.640   0.202
  403    HD1  TRP  56           HD1      TRP  56  62.000  -7.152   0.045
  404    HE1  TRP  56           HE1      TRP  56  62.486  -5.857   2.218
  405    HE3  TRP  56           HE3      TRP  56  57.965  -8.569   2.844
  406    HZ2  TRP  56           HZ2      TRP  56  61.323  -5.469   4.799
  407    HZ3  TRP  56           HZ3      TRP  56  57.684  -7.717   5.158
  408    HH2  TRP  56           HH2      TRP  56  59.353  -6.172   6.133
  409    H    GLY  57           H        GLY  57  60.379 -10.578  -2.129
  410   1HA   GLY  57          2HA       GLY  57  58.475 -12.844  -2.272
  411   2HA   GLY  57          1HA       GLY  57  58.164 -11.456  -3.318
  412    HA   PRO  58           HA       PRO  58  61.133 -14.466  -5.390
  413   1HB   PRO  58          2HB       PRO  58  59.314 -14.531  -7.612
  414   2HB   PRO  58          1HB       PRO  58  59.718 -15.842  -6.499
  415   1HG   PRO  58          2HG       PRO  58  57.247 -14.440  -6.685
  416   2HG   PRO  58          1HG       PRO  58  57.697 -15.660  -5.492
  417   1HD   PRO  58          2HD       PRO  58  57.429 -12.774  -5.134
  418   2HD   PRO  58          1HD       PRO  58  57.673 -14.031  -3.897
  419    H    ILE  59           H        ILE  59  60.183 -11.304  -5.699
  420    HA   ILE  59           HA       ILE  59  61.415 -10.923  -8.394
  421    HB   ILE  59           HB       ILE  59  59.869  -9.016  -6.611
  422   1HG1  ILE  59          2HG1      ILE  59  58.993 -10.949  -8.769
  423   2HG1  ILE  59          1HG1      ILE  59  58.345 -10.767  -7.139
  424   1HG2  ILE  59          1HG2      ILE  59  61.452  -8.238  -8.558
  425   2HG2  ILE  59          2HG2      ILE  59  59.834  -7.550  -8.430
  426   3HG2  ILE  59          3HG2      ILE  59  60.158  -8.832  -9.598
  427   1HD1  ILE  59          1HD1      ILE  59  57.881  -8.278  -8.015
  428   2HD1  ILE  59          2HD1      ILE  59  56.732  -9.588  -8.295
  429   3HD1  ILE  59          3HD1      ILE  59  57.849  -9.108  -9.572
  430    HA   PRO  60           HA       PRO  60  64.961  -9.713  -5.740
  431   1HB   PRO  60          2HB       PRO  60  66.500  -9.654  -8.169
  432   2HB   PRO  60          1HB       PRO  60  66.561 -10.862  -6.885
  433   1HG   PRO  60          2HG       PRO  60  65.485 -11.153  -9.531
  434   2HG   PRO  60          1HG       PRO  60  65.544 -12.365  -8.249
  435   1HD   PRO  60          2HD       PRO  60  63.233 -10.954  -9.248
  436   2HD   PRO  60          1HD       PRO  60  63.295 -12.174  -7.953
  437    H    MET  61           H        MET  61  65.467  -7.548  -5.351
  438    HA   MET  61           HA       MET  61  64.437  -5.453  -7.063
  439   1HB   MET  61          2HB       MET  61  64.641  -5.221  -4.658
  440   2HB   MET  61          1HB       MET  61  66.374  -5.530  -4.727
  441   1HG   MET  61          2HG       MET  61  65.762  -3.395  -6.536
  442   2HG   MET  61          1HG       MET  61  65.032  -3.030  -4.975
  443   1HE   MET  61          1HE       MET  61  65.735  -2.193  -3.415
  444   2HE   MET  61          2HE       MET  61  67.213  -1.237  -3.399
  445   3HE   MET  61          3HE       MET  61  67.135  -2.738  -2.482
  446    HA   PRO  62           HA       PRO  62  67.915  -5.329  -9.863
  447   1HB   PRO  62          2HB       PRO  62  67.320  -2.585 -10.498
  448   2HB   PRO  62          1HB       PRO  62  66.952  -4.022 -11.454
  449   1HG   PRO  62          2HG       PRO  62  65.113  -2.359 -10.029
  450   2HG   PRO  62          1HG       PRO  62  64.757  -3.831 -10.938
  451   1HD   PRO  62          2HD       PRO  62  64.757  -3.460  -8.066
  452   2HD   PRO  62          1HD       PRO  62  64.331  -4.924  -8.985
  453    HA   PRO  63           HA       PRO  63  70.782  -3.469  -6.967
  454   1HB   PRO  63          2HB       PRO  63  72.854  -3.556  -8.954
  455   2HB   PRO  63          1HB       PRO  63  72.609  -4.645  -7.586
  456   1HG   PRO  63          2HG       PRO  63  72.181  -5.195 -10.377
  457   2HG   PRO  63          1HG       PRO  63  71.970  -6.287  -9.005
  458   1HD   PRO  63          2HD       PRO  63  69.918  -5.082 -10.625
  459   2HD   PRO  63          1HD       PRO  63  69.703  -6.141  -9.210
  460    H    ASN  64           H        ASN  64  71.244  -1.313  -6.609
  461    HA   ASN  64           HA       ASN  64  70.992   0.559  -8.933
  462   1HB   ASN  64          2HB       ASN  64  70.713   1.023  -5.945
  463   2HB   ASN  64          1HB       ASN  64  70.282   2.161  -7.227
  464   1HD2  ASN  64          1HD2      ASN  64  69.450  -1.091  -5.946
  465   2HD2  ASN  64          2HD2      ASN  64  67.844  -1.076  -6.519
  466    H    ALA  65           H        ALA  65  72.408   2.517  -8.808
  467    HA   ALA  65           HA       ALA  65  75.149   1.766  -7.954
  468   1HB   ALA  65          1HB       ALA  65  75.091   2.576 -10.153
  469   2HB   ALA  65          2HB       ALA  65  75.517   4.032  -9.253
  470   3HB   ALA  65          3HB       ALA  65  73.853   3.775  -9.780
  471    H    VAL  66           H        VAL  66  73.184   2.458  -5.902
  472    HA   VAL  66           HA       VAL  66  73.789   5.204  -5.028
  473    HB   VAL  66           HB       VAL  66  72.401   4.407  -3.042
  474   1HG1  VAL  66          1HG1      VAL  66  71.624   4.738  -5.831
  475   2HG1  VAL  66          2HG1      VAL  66  70.839   5.344  -4.372
  476   3HG1  VAL  66          3HG1      VAL  66  70.482   3.717  -4.954
  477   1HG2  VAL  66          1HG2      VAL  66  71.786   2.227  -2.829
  478   2HG2  VAL  66          2HG2      VAL  66  73.159   1.912  -3.890
  479   3HG2  VAL  66          3HG2      VAL  66  71.533   2.032  -4.564
  480    H    SER  67           H        SER  67  75.935   5.432  -4.355
  481    HA   SER  67           HA       SER  67  77.725   3.600  -3.315
  482   1HB   SER  67          2HB       SER  67  78.791   5.520  -2.291
  483   2HB   SER  67          1HB       SER  67  78.008   6.083  -3.765
  484    HG   SER  67           HG       SER  67  77.130   7.458  -2.420
  485    H    ASP  68           H        ASP  68  78.111   2.695  -1.214
  486    HA   ASP  68           HA       ASP  68  76.021   1.843   0.368
  487   1HB   ASP  68          2HB       ASP  68  77.759   1.670   2.173
  488   2HB   ASP  68          1HB       ASP  68  78.337   1.102   0.607
  489    H    ASP  69           H        ASP  69  77.535   5.034   0.463
  490    HA   ASP  69           HA       ASP  69  76.329   5.925   2.927
  491   1HB   ASP  69          2HB       ASP  69  77.473   7.232   0.452
  492   2HB   ASP  69          1HB       ASP  69  76.832   8.195   1.784
  493    H    GLU  70           H        GLU  70  75.405   6.348  -0.505
  494    HA   GLU  70           HA       GLU  70  72.985   7.786  -0.012
  495   1HB   GLU  70          2HB       GLU  70  74.143   6.124  -2.234
  496   2HB   GLU  70          1HB       GLU  70  72.493   6.734  -2.369
  497   1HG   GLU  70          2HG       GLU  70  73.382   9.038  -1.873
  498   2HG   GLU  70          1HG       GLU  70  75.012   8.371  -1.970
  499    H    ALA  71           H        ALA  71  73.543   4.294  -0.584
  500    HA   ALA  71           HA       ALA  71  70.780   3.537  -0.250
  501   1HB   ALA  71          1HB       ALA  71  73.003   2.357  -1.191
  502   2HB   ALA  71          2HB       ALA  71  71.646   1.407  -0.585
  503   3HB   ALA  71          3HB       ALA  71  73.046   1.703   0.447
  504    H    GLN  72           H        GLN  72  73.263   4.476   1.951
  505    HA   GLN  72           HA       GLN  72  72.303   3.031   4.285
  506   1HB   GLN  72          2HB       GLN  72  74.406   4.870   3.505
  507   2HB   GLN  72          1HB       GLN  72  73.698   5.366   5.042
  508   1HG   GLN  72          2HG       GLN  72  74.106   2.474   4.871
  509   2HG   GLN  72          1HG       GLN  72  75.609   3.382   4.718
  510   1HE2  GLN  72          1HE2      GLN  72  76.360   4.580   6.570
  511   2HE2  GLN  72          2HE2      GLN  72  75.611   4.462   8.098
  512    H    THR  73           H        THR  73  71.968   6.343   3.038
  513    HA   THR  73           HA       THR  73  70.156   7.213   5.135
  514    HB   THR  73           HB       THR  73  70.121   8.467   2.434
  515    HG1  THR  73           HG1      THR  73  72.443   8.503   4.053
  516   1HG2  THR  73          1HG2      THR  73  70.171  10.473   3.676
  517   2HG2  THR  73          2HG2      THR  73  70.910   9.689   5.073
  518   3HG2  THR  73          3HG2      THR  73  69.219   9.380   4.680
  519    H    LEU  74           H        LEU  74  69.887   5.581   2.050
  520    HA   LEU  74           HA       LEU  74  67.047   5.967   1.649
  521   1HB   LEU  74          2HB       LEU  74  69.060   3.899   0.693
  522   2HB   LEU  74          1HB       LEU  74  67.422   4.030   0.070
  523    HG   LEU  74           HG       LEU  74  69.262   6.413   0.096
  524   1HD1  LEU  74          1HD1      LEU  74  70.542   5.423  -1.477
  525   2HD1  LEU  74          2HD1      LEU  74  69.124   5.405  -2.524
  526   3HD1  LEU  74          3HD1      LEU  74  69.490   4.008  -1.512
  527   1HD2  LEU  74          1HD2      LEU  74  67.749   7.083  -1.781
  528   2HD2  LEU  74          2HD2      LEU  74  66.891   6.859  -0.256
  529   3HD2  LEU  74          3HD2      LEU  74  66.811   5.616  -1.503
  530    H    ALA  75           H        ALA  75  69.048   3.584   3.346
  531    HA   ALA  75           HA       ALA  75  66.935   1.703   3.930
  532   1HB   ALA  75          1HB       ALA  75  69.246   1.049   4.094
  533   2HB   ALA  75          2HB       ALA  75  68.624   1.049   5.744
  534   3HB   ALA  75          3HB       ALA  75  69.614   2.393   5.173
  535    H    LYS  76           H        LYS  76  68.507   4.224   5.938
  536    HA   LYS  76           HA       LYS  76  66.731   4.088   8.159
  537   1HB   LYS  76          2HB       LYS  76  68.226   6.450   6.959
  538   2HB   LYS  76          1HB       LYS  76  67.636   6.348   8.618
  539   1HG   LYS  76          2HG       LYS  76  69.055   4.059   8.526
  540   2HG   LYS  76          1HG       LYS  76  69.969   5.008   7.352
  541   1HD   LYS  76          2HD       LYS  76  69.501   6.798   9.437
  542   2HD   LYS  76          1HD       LYS  76  69.855   5.276  10.255
  543   1HE   LYS  76          2HE       LYS  76  71.992   6.288   9.922
  544   2HE   LYS  76          1HE       LYS  76  71.865   5.098   8.611
  545   1HZ   LYS  76          1HZ       LYS  76  70.889   6.866   7.218
  546   2HZ   LYS  76          2HZ       LYS  76  72.489   7.206   7.677
  547   3HZ   LYS  76          3HZ       LYS  76  71.195   7.988   8.452
  548    H    TRP  77           H        TRP  77  66.413   5.495   4.982
  549    HA   TRP  77           HA       TRP  77  64.219   7.292   5.547
  550   1HB   TRP  77          2HB       TRP  77  65.694   7.479   3.594
  551   2HB   TRP  77          1HB       TRP  77  65.175   5.887   3.030
  552    HD1  TRP  77           HD1      TRP  77  63.389   9.172   4.067
  553    HE1  TRP  77           HE1      TRP  77  61.489   9.606   2.377
  554    HE3  TRP  77           HE3      TRP  77  63.939   5.091   1.052
  555    HZ2  TRP  77           HZ2      TRP  77  60.355   8.387   0.056
  556    HZ3  TRP  77           HZ3      TRP  77  62.438   4.752  -0.892
  557    HH2  TRP  77           HH2      TRP  77  60.647   6.395  -1.392
  558    H    ILE  78           H        ILE  78  64.430   3.937   4.330
  559    HA   ILE  78           HA       ILE  78  61.652   3.496   3.880
  560    HB   ILE  78           HB       ILE  78  64.007   1.757   4.658
  561   1HG1  ILE  78          2HG1      ILE  78  62.565   1.347   2.116
  562   2HG1  ILE  78          1HG1      ILE  78  63.307   2.940   2.271
  563   1HG2  ILE  78          1HG2      ILE  78  62.523   0.181   5.314
  564   2HG2  ILE  78          2HG2      ILE  78  62.083   0.054   3.611
  565   3HG2  ILE  78          3HG2      ILE  78  61.152   1.097   4.686
  566   1HD1  ILE  78          1HD1      ILE  78  65.430   2.098   2.220
  567   2HD1  ILE  78          2HD1      ILE  78  64.649   0.746   1.405
  568   3HD1  ILE  78          3HD1      ILE  78  64.988   0.656   3.132
  569    H    LEU  79           H        LEU  79  63.629   2.775   6.786
  570    HA   LEU  79           HA       LEU  79  61.333   1.996   8.390
  571   1HB   LEU  79          2HB       LEU  79  64.261   2.522   8.749
  572   2HB   LEU  79          1HB       LEU  79  63.248   2.450  10.191
  573    HG   LEU  79           HG       LEU  79  62.543   0.287   8.430
  574   1HD1  LEU  79          1HD1      LEU  79  65.157  -0.506   9.275
  575   2HD1  LEU  79          2HD1      LEU  79  65.313   0.981   8.339
  576   3HD1  LEU  79          3HD1      LEU  79  64.520  -0.427   7.632
  577   1HD2  LEU  79          1HD2      LEU  79  63.503  -0.963  10.534
  578   2HD2  LEU  79          2HD2      LEU  79  62.053   0.027  10.707
  579   3HD2  LEU  79          3HD2      LEU  79  63.620   0.659  11.214
  580    H    SER  80           H        SER  80  62.539   5.006   7.369
  581    HA   SER  80           HA       SER  80  61.542   6.464   9.762
  582   1HB   SER  80          2HB       SER  80  63.719   7.062   8.831
  583   2HB   SER  80          1HB       SER  80  63.010   7.277   7.233
  584    HG   SER  80           HG       SER  80  62.220   9.151   7.833
  585    H    GLN  81           H        GLN  81  60.534   5.545   6.579
  586    HA   GLN  81           HA       GLN  81  58.932   7.588   5.628
  587   1HB   GLN  81          2HB       GLN  81  58.613   4.601   5.823
  588   2HB   GLN  81          1HB       GLN  81  57.343   5.566   5.071
  589   1HG   GLN  81          2HG       GLN  81  60.262   5.474   4.255
  590   2HG   GLN  81          1HG       GLN  81  58.893   4.840   3.341
  591   1HE2  GLN  81          1HE2      GLN  81  60.635   7.774   4.208
  592   2HE2  GLN  81          2HE2      GLN  81  59.742   8.824   3.202
  593    H    LYS  82           H        LYS  82  58.077   5.327   8.263
  594    HA   LYS  82           HA       LYS  82  56.553   7.235   9.745
  595   1HB   LYS  82          2HB       LYS  82  55.315   6.618   7.404
  596   2HB   LYS  82          1HB       LYS  82  54.645   5.363   8.447
  597   1HG   LYS  82          2HG       LYS  82  54.451   7.550  10.074
  598   2HG   LYS  82          1HG       LYS  82  54.195   8.282   8.490
  599   1HD   LYS  82          2HD       LYS  82  52.413   6.680   8.000
  600   2HD   LYS  82          1HD       LYS  82  52.699   5.860   9.536
  601   1HE   LYS  82          2HE       LYS  82  52.022   7.845  10.782
  602   2HE   LYS  82          1HE       LYS  82  51.862   8.771   9.276
  603   1HZ   LYS  82          1HZ       LYS  82  50.266   7.076   8.505
  604   2HZ   LYS  82          2HZ       LYS  82  49.717   7.910   9.878
  605   3HZ   LYS  82          3HZ       LYS  82  50.336   6.335  10.028
  606    HHA  HEM  83           HHA      HEM  83  63.132  -5.189  -1.641
  607    HHB  HEM  83           HHB      HEM  83  65.253   0.716  -0.470
  608    HHC  HEM  83           HHC      HEM  83  64.895   1.833  -6.663
  609    HHD  HEM  83           HHD      HEM  83  61.469  -3.429  -7.422
  610   1HMA  HEM  83          1HMA      HEM  83  64.722  -1.145   1.865
  611   2HMA  HEM  83          2HMA      HEM  83  66.295  -0.905   1.104
  612   3HMA  HEM  83          3HMA      HEM  83  65.891  -2.465   1.823
  613   1HAA  HEM  83          1HAA      HEM  83  64.207  -5.204   0.609
  614   2HAA  HEM  83          2HAA      HEM  83  65.741  -4.458   1.037
  615   1HBA  HEM  83          1HBA      HEM  83  65.099  -5.798  -1.614
  616   2HBA  HEM  83          2HBA      HEM  83  66.126  -6.453  -0.343
  617    H2A  HEM  83          3HBB      HEM  83  67.957   2.139  -5.237
  618   1HMB  HEM  83          1HMB      HEM  83  65.610   3.610  -1.445
  619   2HMB  HEM  83          2HMB      HEM  83  67.182   3.426  -2.224
  620   3HMB  HEM  83          3HMB      HEM  83  66.698   2.318  -0.941
  621    HAB  HEM  83           HAB      HEM  83  65.607   3.348  -5.910
  622   1HBB  HEM  83          1HBB      HEM  83  68.244   3.792  -4.692
  623   2HBB  HEM  83          2HBB      HEM  83  67.814   3.480  -6.373
  624   1HMC  HEM  83          1HMC      HEM  83  64.864   0.608  -9.525
  625   2HMC  HEM  83          2HMC      HEM  83  63.956   1.898  -8.735
  626   3HMC  HEM  83          3HMC      HEM  83  63.162   0.858  -9.918
  627    HAC  HEM  83           HAC      HEM  83  61.340  -2.512  -9.038
  628   1HBC  HEM  83          1HBC      HEM  83  62.767  -2.696 -10.799
  629   2HBC  HEM  83          2HBC      HEM  83  63.413  -1.069 -10.581
  630   1HMD  HEM  83          1HMD      HEM  83  59.999  -6.140  -5.932
  631   2HMD  HEM  83          2HMD      HEM  83  61.520  -6.765  -6.571
  632   3HMD  HEM  83          3HMD      HEM  83  60.819  -5.293  -7.244
  633   1HAD  HEM  83          1HAD      HEM  83  63.258  -6.946  -3.094
  634   2HAD  HEM  83          2HAD      HEM  83  62.303  -7.528  -4.452
  635   1HBD  HEM  83          1HBD      HEM  83  60.790  -6.298  -2.218
  636   2HBD  HEM  83          2HBD      HEM  83  61.552  -7.854  -1.884
  637    H2D  HEM  83          3HBC      HEM  83  61.869  -1.304 -11.403
  Start of MODEL   12
    1   1H    GLU   1          1H        GLU   1  67.497  18.634   0.703
    2   2H    GLU   1          2H        GLU   1  68.821  19.246  -0.167
    3   3H    GLU   1          3H        GLU   1  69.062  18.511   1.346
    4    HA   GLU   1           HA       GLU   1  68.077  17.122  -1.099
    5   1HB   GLU   1          2HB       GLU   1  70.743  17.442   0.288
    6   2HB   GLU   1          1HB       GLU   1  70.423  16.066  -0.768
    7   1HG   GLU   1          2HG       GLU   1  69.534  18.095  -2.341
    8   2HG   GLU   1          1HG       GLU   1  70.818  18.920  -1.455
    9    H    ASP   2           H        ASP   2  66.590  16.927   1.261
   10    HA   ASP   2           HA       ASP   2  67.339  15.081   3.233
   11   1HB   ASP   2          2HB       ASP   2  64.942  16.214   2.064
   12   2HB   ASP   2          1HB       ASP   2  64.662  14.532   2.519
   13    HA   PRO   3           HA       PRO   3  67.788  11.122   1.387
   14   1HB   PRO   3          2HB       PRO   3  65.903   9.765   3.091
   15   2HB   PRO   3          1HB       PRO   3  67.665   9.807   3.234
   16   1HG   PRO   3          2HG       PRO   3  65.736  11.109   4.912
   17   2HG   PRO   3          1HG       PRO   3  67.496  11.160   5.040
   18   1HD   PRO   3          2HD       PRO   3  65.722  13.273   4.184
   19   2HD   PRO   3          1HD       PRO   3  67.498  13.322   4.317
   20    H    GLU   4           H        GLU   4  64.525  12.335   1.904
   21    HA   GLU   4           HA       GLU   4  63.168  10.445   0.179
   22   1HB   GLU   4          2HB       GLU   4  62.081  11.868   1.902
   23   2HB   GLU   4          1HB       GLU   4  62.514  13.305   0.976
   24   1HG   GLU   4          2HG       GLU   4  61.264  11.701  -0.909
   25   2HG   GLU   4          1HG       GLU   4  60.319  11.414   0.553
   26    H    VAL   5           H        VAL   5  64.833  13.520  -0.274
   27    HA   VAL   5           HA       VAL   5  64.040  14.053  -2.975
   28    HB   VAL   5           HB       VAL   5  66.533  14.722  -1.379
   29   1HG1  VAL   5          1HG1      VAL   5  67.093  15.138  -3.646
   30   2HG1  VAL   5          2HG1      VAL   5  66.558  16.701  -3.027
   31   3HG1  VAL   5          3HG1      VAL   5  65.474  15.729  -4.021
   32   1HG2  VAL   5          1HG2      VAL   5  65.230  16.976  -1.283
   33   2HG2  VAL   5          2HG2      VAL   5  64.703  15.665  -0.228
   34   3HG2  VAL   5          3HG2      VAL   5  63.825  16.004  -1.719
   35    H    LEU   6           H        LEU   6  67.109  12.682  -1.740
   36    HA   LEU   6           HA       LEU   6  68.078  11.840  -4.308
   37   1HB   LEU   6          2HB       LEU   6  69.753  10.713  -2.982
   38   2HB   LEU   6          1HB       LEU   6  69.334  12.192  -2.119
   39    HG   LEU   6           HG       LEU   6  67.572  10.688  -0.911
   40   1HD1  LEU   6          1HD1      LEU   6  69.316   8.410  -0.963
   41   2HD1  LEU   6          2HD1      LEU   6  68.843   8.797  -2.617
   42   3HD1  LEU   6          3HD1      LEU   6  67.608   8.490  -1.396
   43   1HD2  LEU   6          1HD2      LEU   6  70.560  10.682  -0.473
   44   2HD2  LEU   6          2HD2      LEU   6  69.468   9.886   0.659
   45   3HD2  LEU   6          3HD2      LEU   6  69.332  11.621   0.375
   46    H    ALA   7           H        ALA   7  65.828  10.460  -2.035
   47    HA   ALA   7           HA       ALA   7  65.919   7.719  -2.917
   48   1HB   ALA   7          1HB       ALA   7  63.507   7.880  -1.887
   49   2HB   ALA   7          2HB       ALA   7  63.995   9.520  -1.455
   50   3HB   ALA   7          3HB       ALA   7  64.901   8.139  -0.836
   51    H    LYS   8           H        LYS   8  64.290  10.620  -4.082
   52    HA   LYS   8           HA       LYS   8  62.495   9.171  -5.887
   53   1HB   LYS   8          2HB       LYS   8  62.779  11.748  -4.776
   54   2HB   LYS   8          1HB       LYS   8  62.958  11.963  -6.518
   55   1HG   LYS   8          2HG       LYS   8  60.728  11.775  -6.741
   56   2HG   LYS   8          1HG       LYS   8  60.834  10.120  -6.138
   57   1HD   LYS   8          2HD       LYS   8  59.429  11.018  -4.538
   58   2HD   LYS   8          1HD       LYS   8  60.987  11.368  -3.789
   59   1HE   LYS   8          2HE       LYS   8  60.830  13.633  -4.206
   60   2HE   LYS   8          1HE       LYS   8  59.918  13.394  -5.711
   61   1HZ   LYS   8          1HZ       LYS   8  58.150  12.404  -4.133
   62   2HZ   LYS   8          2HZ       LYS   8  58.280  14.093  -4.263
   63   3HZ   LYS   8          3HZ       LYS   8  58.954  13.287  -2.928
   64    H    ASN   9           H        ASN   9  65.352  11.312  -6.374
   65    HA   ASN   9           HA       ASN   9  65.550  10.882  -9.200
   66   1HB   ASN   9          2HB       ASN   9  67.828  11.422  -7.280
   67   2HB   ASN   9          1HB       ASN   9  67.664  11.977  -8.946
   68   1HD2  ASN   9          1HD2      ASN   9  67.031  12.800  -5.670
   69   2HD2  ASN   9          2HD2      ASN   9  66.046  14.159  -5.965
   70    H    LYS  10           H        LYS  10  66.324   8.807  -6.538
   71    HA   LYS  10           HA       LYS  10  68.295   7.213  -8.043
   72   1HB   LYS  10          2HB       LYS  10  67.021   7.200  -5.307
   73   2HB   LYS  10          1HB       LYS  10  67.963   5.811  -5.858
   74   1HG   LYS  10          2HG       LYS  10  68.928   8.675  -5.624
   75   2HG   LYS  10          1HG       LYS  10  69.452   7.298  -4.654
   76   1HD   LYS  10          2HD       LYS  10  70.060   6.246  -6.978
   77   2HD   LYS  10          1HD       LYS  10  70.045   7.921  -7.529
   78   1HE   LYS  10          2HE       LYS  10  71.804   8.542  -6.048
   79   2HE   LYS  10          1HE       LYS  10  71.623   7.058  -5.090
   80   1HZ   LYS  10          1HZ       LYS  10  72.266   7.025  -7.984
   81   2HZ   LYS  10          2HZ       LYS  10  72.370   5.740  -6.877
   82   3HZ   LYS  10          3HZ       LYS  10  73.469   7.033  -6.787
   83    H    GLY  11           H        GLY  11  64.878   7.305  -7.526
   84   1HA   GLY  11          2HA       GLY  11  63.321   6.022  -8.838
   85   2HA   GLY  11          1HA       GLY  11  64.589   4.831  -9.130
   86    H    CYS  12           H        CYS  12  64.419   5.842  -5.869
   87    HA   CYS  12           HA       CYS  12  63.691   3.196  -4.966
   88   1HB   CYS  12          2HB       CYS  12  63.717   5.841  -3.484
   89   2HB   CYS  12          1HB       CYS  12  63.838   4.240  -2.758
   90    H    MET  13           H        MET  13  61.903   6.262  -5.223
   91    HA   MET  13           HA       MET  13  59.486   5.148  -3.995
   92   1HB   MET  13          2HB       MET  13  60.423   7.721  -5.208
   93   2HB   MET  13          1HB       MET  13  58.683   7.467  -5.029
   94   1HG   MET  13          2HG       MET  13  59.616   6.629  -2.589
   95   2HG   MET  13          1HG       MET  13  60.734   7.940  -2.965
   96   1HE   MET  13          1HE       MET  13  57.490   6.578  -2.436
   97   2HE   MET  13          2HE       MET  13  56.546   7.573  -3.543
   98   3HE   MET  13          3HE       MET  13  56.457   7.870  -1.808
   99    H    ALA  14           H        ALA  14  60.837   4.506  -6.914
  100    HA   ALA  14           HA       ALA  14  58.448   4.825  -8.602
  101   1HB   ALA  14          1HB       ALA  14  60.646   5.174  -9.554
  102   2HB   ALA  14          2HB       ALA  14  59.992   3.696 -10.261
  103   3HB   ALA  14          3HB       ALA  14  61.195   3.601  -8.974
  104    H    CYS  15           H        CYS  15  60.182   2.224  -6.941
  105    HA   CYS  15           HA       CYS  15  58.141   0.251  -7.882
  106   1HB   CYS  15          2HB       CYS  15  60.938   0.133  -6.751
  107   2HB   CYS  15          1HB       CYS  15  59.921  -1.306  -6.812
  108    H    HIS  16           H        HIS  16  59.342   1.939  -5.064
  109    HA   HIS  16           HA       HIS  16  57.808   0.141  -3.244
  110   1HB   HIS  16          2HB       HIS  16  60.078   2.083  -3.048
  111   2HB   HIS  16          1HB       HIS  16  59.114   1.771  -1.601
  112    HD1  HIS  16           HD1      HIS  16  58.677  -1.030  -1.317
  113    HD2  HIS  16           HD2      HIS  16  62.151   0.282  -3.220
  114    HE1  HIS  16           HE1      HIS  16  60.320  -2.953  -1.211
  115    H    ALA  17           H        ALA  17  56.317   1.041  -1.732
  116    HA   ALA  17           HA       ALA  17  55.358   3.818  -2.328
  117   1HB   ALA  17          1HB       ALA  17  54.111   1.389  -2.942
  118   2HB   ALA  17          2HB       ALA  17  53.325   2.966  -2.880
  119   3HB   ALA  17          3HB       ALA  17  53.310   1.917  -1.463
  120    H    ILE  18           H        ILE  18  55.427   5.010  -0.467
  121    HA   ILE  18           HA       ILE  18  56.351   4.384   2.016
  122    HB   ILE  18           HB       ILE  18  53.977   6.126   1.282
  123   1HG1  ILE  18          2HG1      ILE  18  56.133   6.622   0.135
  124   2HG1  ILE  18          1HG1      ILE  18  55.654   7.915   1.234
  125   1HG2  ILE  18          1HG2      ILE  18  54.494   5.410   3.814
  126   2HG2  ILE  18          2HG2      ILE  18  53.992   7.049   3.395
  127   3HG2  ILE  18          3HG2      ILE  18  55.699   6.689   3.653
  128   1HD1  ILE  18          1HD1      ILE  18  57.769   7.695   2.047
  129   2HD1  ILE  18          2HD1      ILE  18  57.955   6.070   1.387
  130   3HD1  ILE  18          3HD1      ILE  18  57.099   6.311   2.910
  131    H    ASP  19           H        ASP  19  53.179   3.480   0.781
  132    HA   ASP  19           HA       ASP  19  52.851   1.648   3.089
  133   1HB   ASP  19          2HB       ASP  19  51.793   4.204   3.142
  134   2HB   ASP  19          1HB       ASP  19  50.435   3.234   2.570
  135    H    THR  20           H        THR  20  51.662   2.852  -0.025
  136    HA   THR  20           HA       THR  20  49.703   0.777  -0.448
  137    HB   THR  20           HB       THR  20  50.265   1.592  -2.923
  138    HG1  THR  20           HG1      THR  20  51.188   3.679  -2.809
  139   1HG2  THR  20          1HG2      THR  20  48.865   3.622  -2.458
  140   2HG2  THR  20          2HG2      THR  20  49.037   3.285  -0.735
  141   3HG2  THR  20          3HG2      THR  20  48.203   2.135  -1.779
  142    H    LYS  21           H        LYS  21  50.086  -0.653  -2.578
  143    HA   LYS  21           HA       LYS  21  52.712  -2.037  -2.212
  144   1HB   LYS  21          2HB       LYS  21  50.299  -3.000  -1.603
  145   2HB   LYS  21          1HB       LYS  21  50.287  -3.387  -3.322
  146   1HG   LYS  21          2HG       LYS  21  52.231  -4.748  -3.137
  147   2HG   LYS  21          1HG       LYS  21  52.608  -4.120  -1.532
  148   1HD   LYS  21          2HD       LYS  21  51.527  -5.945  -0.739
  149   2HD   LYS  21          1HD       LYS  21  50.044  -5.113  -1.214
  150   1HE   LYS  21          2HE       LYS  21  49.851  -6.330  -3.220
  151   2HE   LYS  21          1HE       LYS  21  51.571  -6.769  -3.227
  152   1HZ   LYS  21          1HZ       LYS  21  51.095  -7.930  -1.051
  153   2HZ   LYS  21          2HZ       LYS  21  50.447  -8.665  -2.439
  154   3HZ   LYS  21          3HZ       LYS  21  49.447  -7.755  -1.411
  155    H    MET  22           H        MET  22  54.011  -1.830  -3.985
  156    HA   MET  22           HA       MET  22  52.711  -1.676  -6.686
  157   1HB   MET  22          2HB       MET  22  54.965  -0.138  -5.398
  158   2HB   MET  22          1HB       MET  22  54.872  -0.275  -7.157
  159   1HG   MET  22          2HG       MET  22  52.884   0.932  -7.282
  160   2HG   MET  22          1HG       MET  22  52.427   0.550  -5.622
  161   1HE   MET  22          1HE       MET  22  56.196   1.491  -6.037
  162   2HE   MET  22          2HE       MET  22  56.062   3.146  -6.626
  163   3HE   MET  22          3HE       MET  22  55.390   1.824  -7.577
  164    H    VAL  23           H        VAL  23  56.124  -1.590  -6.691
  165    HA   VAL  23           HA       VAL  23  56.244  -4.329  -7.756
  166    HB   VAL  23           HB       VAL  23  58.400  -2.242  -7.319
  167   1HG1  VAL  23          1HG1      VAL  23  58.434  -4.940  -8.278
  168   2HG1  VAL  23          2HG1      VAL  23  59.777  -3.800  -8.181
  169   3HG1  VAL  23          3HG1      VAL  23  58.780  -3.868  -9.634
  170   1HG2  VAL  23          1HG2      VAL  23  56.698  -1.230  -8.678
  171   2HG2  VAL  23          2HG2      VAL  23  56.479  -2.710  -9.612
  172   3HG2  VAL  23          3HG2      VAL  23  57.963  -1.771  -9.784
  173    H    GLY  24           H        GLY  24  57.233  -2.522  -4.905
  174   1HA   GLY  24          2HA       GLY  24  58.167  -5.089  -3.682
  175   2HA   GLY  24          1HA       GLY  24  58.997  -3.557  -3.376
  176    HA   PRO  25           HA       PRO  25  55.447  -4.366  -0.327
  177   1HB   PRO  25          2HB       PRO  25  57.394  -4.411   1.789
  178   2HB   PRO  25          1HB       PRO  25  56.353  -5.729   1.242
  179   1HG   PRO  25          2HG       PRO  25  59.174  -5.510   0.911
  180   2HG   PRO  25          1HG       PRO  25  58.114  -6.767   0.267
  181   1HD   PRO  25          2HD       PRO  25  59.431  -4.594  -1.165
  182   2HD   PRO  25          1HD       PRO  25  58.501  -5.959  -1.833
  183    H    ALA  26           H        ALA  26  54.575  -2.563   0.715
  184    HA   ALA  26           HA       ALA  26  55.405   0.035   0.318
  185   1HB   ALA  26          1HB       ALA  26  53.311  -0.187   1.289
  186   2HB   ALA  26          2HB       ALA  26  54.236   0.307   2.706
  187   3HB   ALA  26          3HB       ALA  26  53.865  -1.397   2.447
  188    H    TYR  27           H        TYR  27  56.733   1.544   1.469
  189    HA   TYR  27           HA       TYR  27  59.145   0.549   2.624
  190   1HB   TYR  27          2HB       TYR  27  57.724   3.175   2.352
  191   2HB   TYR  27          1HB       TYR  27  59.153   3.096   3.376
  192    HD1  TYR  27           HD1      TYR  27  58.523   4.446   0.522
  193    HD2  TYR  27           HD2      TYR  27  60.720   0.997   1.843
  194    HE1  TYR  27           HE1      TYR  27  59.968   4.597  -1.485
  195    HE2  TYR  27           HE2      TYR  27  62.161   1.150  -0.166
  196    HH   TYR  27           HH       TYR  27  62.872   2.842  -1.798
  197    H    LYS  28           H        LYS  28  56.539   2.417   4.248
  198    HA   LYS  28           HA       LYS  28  57.389   2.130   6.895
  199   1HB   LYS  28          2HB       LYS  28  55.339   3.309   5.719
  200   2HB   LYS  28          1HB       LYS  28  54.493   1.825   6.158
  201   1HG   LYS  28          2HG       LYS  28  55.931   2.534   8.459
  202   2HG   LYS  28          1HG       LYS  28  55.275   4.054   7.847
  203   1HD   LYS  28          2HD       LYS  28  53.400   3.407   8.975
  204   2HD   LYS  28          1HD       LYS  28  53.116   2.424   7.539
  205   1HE   LYS  28          2HE       LYS  28  52.947   0.796   9.208
  206   2HE   LYS  28          1HE       LYS  28  54.680   0.694   8.844
  207   1HZ   LYS  28          1HZ       LYS  28  54.935   1.179  11.008
  208   2HZ   LYS  28          2HZ       LYS  28  53.353   1.772  11.176
  209   3HZ   LYS  28          3HZ       LYS  28  54.577   2.772  10.551
  210    H    ASP  29           H        ASP  29  55.252  -0.064   5.072
  211    HA   ASP  29           HA       ASP  29  54.841  -2.027   7.063
  212   1HB   ASP  29          2HB       ASP  29  55.078  -2.095   4.048
  213   2HB   ASP  29          1HB       ASP  29  54.602  -3.515   4.982
  214    H    VAL  30           H        VAL  30  57.521  -1.659   4.746
  215    HA   VAL  30           HA       VAL  30  58.894  -4.080   5.259
  216    HB   VAL  30           HB       VAL  30  59.885  -1.295   4.579
  217   1HG1  VAL  30          1HG1      VAL  30  61.447  -3.528   3.561
  218   2HG1  VAL  30          2HG1      VAL  30  61.395  -3.533   5.324
  219   3HG1  VAL  30          3HG1      VAL  30  61.984  -2.112   4.463
  220   1HG2  VAL  30          1HG2      VAL  30  59.211  -1.715   2.455
  221   2HG2  VAL  30          2HG2      VAL  30  58.232  -3.006   3.150
  222   3HG2  VAL  30          3HG2      VAL  30  59.833  -3.365   2.502
  223    H    ALA  31           H        ALA  31  58.981  -0.977   6.966
  224    HA   ALA  31           HA       ALA  31  61.087  -1.772   8.810
  225   1HB   ALA  31          1HB       ALA  31  60.662   0.386   9.753
  226   2HB   ALA  31          2HB       ALA  31  59.009   0.403   9.140
  227   3HB   ALA  31          3HB       ALA  31  60.365   0.564   8.024
  228    H    ALA  32           H        ALA  32  57.593  -2.043   8.709
  229    HA   ALA  32           HA       ALA  32  57.175  -2.487  11.536
  230   1HB   ALA  32          1HB       ALA  32  55.676  -2.897   8.963
  231   2HB   ALA  32          2HB       ALA  32  55.283  -1.838  10.318
  232   3HB   ALA  32          3HB       ALA  32  55.027  -3.578  10.454
  233    H    LYS  33           H        LYS  33  58.109  -4.537   8.838
  234    HA   LYS  33           HA       LYS  33  57.626  -7.028  10.330
  235   1HB   LYS  33          2HB       LYS  33  57.309  -6.704   7.848
  236   2HB   LYS  33          1HB       LYS  33  59.063  -6.540   7.704
  237   1HG   LYS  33          2HG       LYS  33  59.442  -8.766   8.084
  238   2HG   LYS  33          1HG       LYS  33  58.087  -8.910   9.206
  239   1HD   LYS  33          2HD       LYS  33  56.662  -8.467   7.009
  240   2HD   LYS  33          1HD       LYS  33  58.104  -9.106   6.219
  241   1HE   LYS  33          2HE       LYS  33  57.983 -11.142   7.614
  242   2HE   LYS  33          1HE       LYS  33  56.534 -10.504   8.416
  243   1HZ   LYS  33          1HZ       LYS  33  55.300 -10.618   6.493
  244   2HZ   LYS  33          2HZ       LYS  33  56.270 -12.003   6.332
  245   3HZ   LYS  33          3HZ       LYS  33  56.658 -10.586   5.478
  246    H    TYR  34           H        TYR  34  60.440  -5.153   9.167
  247    HA   TYR  34           HA       TYR  34  62.341  -6.971  10.478
  248   1HB   TYR  34          2HB       TYR  34  62.425  -4.431   8.863
  249   2HB   TYR  34          1HB       TYR  34  63.880  -4.979   9.709
  250    HD1  TYR  34           HD1      TYR  34  61.728  -5.461   6.840
  251    HD2  TYR  34           HD2      TYR  34  64.726  -7.336   9.278
  252    HE1  TYR  34           HE1      TYR  34  62.165  -7.106   5.038
  253    HE2  TYR  34           HE2      TYR  34  65.162  -8.983   7.475
  254    HH   TYR  34           HH       TYR  34  63.779  -9.944   5.487
  255    H    ALA  35           H        ALA  35  60.298  -4.578  11.596
  256    HA   ALA  35           HA       ALA  35  61.849  -2.953  13.311
  257   1HB   ALA  35          1HB       ALA  35  59.066  -4.000  13.164
  258   2HB   ALA  35          2HB       ALA  35  59.633  -2.332  13.240
  259   3HB   ALA  35          3HB       ALA  35  59.561  -3.308  14.707
  260    H    GLY  36           H        GLY  36  63.490  -3.982  14.484
  261   1HA   GLY  36          2HA       GLY  36  63.558  -4.894  16.905
  262   2HA   GLY  36          1HA       GLY  36  62.680  -6.267  16.231
  263    H    GLN  37           H        GLN  37  65.259  -4.542  14.541
  264    HA   GLN  37           HA       GLN  37  66.907  -7.046  14.706
  265   1HB   GLN  37          2HB       GLN  37  66.086  -5.190  12.547
  266   2HB   GLN  37          1HB       GLN  37  67.774  -5.699  12.490
  267   1HG   GLN  37          2HG       GLN  37  66.423  -8.054  13.064
  268   2HG   GLN  37          1HG       GLN  37  65.349  -7.240  11.925
  269   1HE2  GLN  37          1HE2      GLN  37  68.948  -7.211  12.126
  270   2HE2  GLN  37          2HE2      GLN  37  69.188  -7.804  10.544
  271    H    ALA  38           H        ALA  38  69.136  -6.789  15.137
  272    HA   ALA  38           HA       ALA  38  69.908  -4.217  16.364
  273   1HB   ALA  38          1HB       ALA  38  70.314  -6.872  16.942
  274   2HB   ALA  38          2HB       ALA  38  71.282  -5.554  17.603
  275   3HB   ALA  38          3HB       ALA  38  71.845  -6.436  16.184
  276    H    GLY  39           H        GLY  39  69.602  -4.110  13.509
  277   1HA   GLY  39          2HA       GLY  39  71.551  -2.625  12.474
  278   2HA   GLY  39          1HA       GLY  39  72.373  -4.186  12.448
  279    H    ALA  40           H        ALA  40  68.985  -3.294  11.727
  280    HA   ALA  40           HA       ALA  40  68.928  -5.053   9.403
  281   1HB   ALA  40          1HB       ALA  40  66.833  -4.913  10.309
  282   2HB   ALA  40          2HB       ALA  40  66.689  -3.486   9.282
  283   3HB   ALA  40          3HB       ALA  40  67.131  -3.309  10.979
  284    H    GLU  41           H        GLU  41  69.279  -1.583   9.958
  285    HA   GLU  41           HA       GLU  41  68.907  -0.690   7.261
  286   1HB   GLU  41          2HB       GLU  41  68.850   0.806   9.166
  287   2HB   GLU  41          1HB       GLU  41  70.489   0.352   9.633
  288   1HG   GLU  41          2HG       GLU  41  70.369   1.284   6.873
  289   2HG   GLU  41          1HG       GLU  41  69.784   2.504   8.005
  290    H    ALA  42           H        ALA  42  71.608  -2.230   8.884
  291    HA   ALA  42           HA       ALA  42  73.669  -1.421   7.016
  292   1HB   ALA  42          1HB       ALA  42  74.953  -3.150   8.178
  293   2HB   ALA  42          2HB       ALA  42  73.469  -3.856   8.820
  294   3HB   ALA  42          3HB       ALA  42  73.991  -2.259   9.356
  295    H    TYR  43           H        TYR  43  71.818  -4.478   7.400
  296    HA   TYR  43           HA       TYR  43  72.863  -5.628   4.946
  297   1HB   TYR  43          2HB       TYR  43  72.105  -7.118   6.632
  298   2HB   TYR  43          1HB       TYR  43  70.626  -6.194   6.901
  299    HD1  TYR  43           HD1      TYR  43  72.103  -8.964   5.193
  300    HD2  TYR  43           HD2      TYR  43  68.926  -6.084   4.942
  301    HE1  TYR  43           HE1      TYR  43  70.902 -10.431   3.594
  302    HE2  TYR  43           HE2      TYR  43  67.724  -7.552   3.341
  303    HH   TYR  43           HH       TYR  43  69.211 -10.250   1.853
  304    H    LEU  44           H        LEU  44  70.308  -3.424   5.732
  305    HA   LEU  44           HA       LEU  44  68.744  -3.825   3.302
  306   1HB   LEU  44          2HB       LEU  44  68.934  -1.844   5.565
  307   2HB   LEU  44          1HB       LEU  44  67.979  -1.428   4.138
  308    HG   LEU  44           HG       LEU  44  67.557  -4.141   5.293
  309   1HD1  LEU  44          1HD1      LEU  44  67.529  -1.933   7.006
  310   2HD1  LEU  44          2HD1      LEU  44  66.753  -3.490   7.296
  311   3HD1  LEU  44          3HD1      LEU  44  65.836  -2.170   6.572
  312   1HD2  LEU  44          1HD2      LEU  44  66.309  -3.433   3.325
  313   2HD2  LEU  44          2HD2      LEU  44  65.779  -1.965   4.147
  314   3HD2  LEU  44          3HD2      LEU  44  65.198  -3.539   4.691
  315    H    ALA  45           H        ALA  45  71.552  -2.012   4.298
  316    HA   ALA  45           HA       ALA  45  71.587  -0.215   1.997
  317   1HB   ALA  45          1HB       ALA  45  74.065  -0.082   3.011
  318   2HB   ALA  45          2HB       ALA  45  73.279  -0.894   4.364
  319   3HB   ALA  45          3HB       ALA  45  72.697   0.680   3.823
  320    H    GLN  46           H        GLN  46  72.987  -3.356   2.873
  321    HA   GLN  46           HA       GLN  46  74.799  -3.436   0.582
  322   1HB   GLN  46          2HB       GLN  46  74.052  -5.026   2.921
  323   2HB   GLN  46          1HB       GLN  46  74.356  -6.029   1.504
  324   1HG   GLN  46          2HG       GLN  46  76.564  -5.780   1.839
  325   2HG   GLN  46          1HG       GLN  46  76.385  -4.050   1.540
  326   1HE2  GLN  46          1HE2      GLN  46  78.321  -4.718   3.382
  327   2HE2  GLN  46          2HE2      GLN  46  77.792  -4.376   4.968
  328    H    ARG  47           H        ARG  47  71.522  -4.610   1.284
  329    HA   ARG  47           HA       ARG  47  71.333  -6.100  -1.241
  330   1HB   ARG  47          2HB       ARG  47  69.315  -5.251   0.866
  331   2HB   ARG  47          1HB       ARG  47  68.975  -6.376  -0.449
  332   1HG   ARG  47          2HG       ARG  47  71.047  -6.754   1.731
  333   2HG   ARG  47          1HG       ARG  47  69.520  -7.621   1.581
  334   1HD   ARG  47          2HD       ARG  47  70.260  -8.568  -0.583
  335   2HD   ARG  47          1HD       ARG  47  71.807  -7.713  -0.418
  336    HE   ARG  47           HE       ARG  47  70.995 -10.074   1.104
  337   1HH1  ARG  47          1HH1      ARG  47  72.907  -7.199   1.003
  338   2HH1  ARG  47          2HH1      ARG  47  74.070  -7.780   2.146
  339   1HH2  ARG  47          1HH2      ARG  47  72.504 -10.836   2.600
  340   2HH2  ARG  47          2HH2      ARG  47  73.844  -9.834   3.047
  341    H    ILE  48           H        ILE  48  70.737  -2.862  -0.120
  342    HA   ILE  48           HA       ILE  48  68.926  -2.151  -2.314
  343    HB   ILE  48           HB       ILE  48  70.371  -0.741  -0.070
  344   1HG1  ILE  48          2HG1      ILE  48  67.440  -0.978  -0.826
  345   2HG1  ILE  48          1HG1      ILE  48  68.255  -1.989   0.367
  346   1HG2  ILE  48          1HG2      ILE  48  69.016   1.309  -0.900
  347   2HG2  ILE  48          2HG2      ILE  48  68.975   0.474  -2.453
  348   3HG2  ILE  48          3HG2      ILE  48  70.521   0.927  -1.735
  349   1HD1  ILE  48          1HD1      ILE  48  67.981  -0.405   1.941
  350   2HD1  ILE  48          2HD1      ILE  48  67.079   0.562   0.775
  351   3HD1  ILE  48          3HD1      ILE  48  68.822   0.773   0.932
  352    H    LYS  49           H        LYS  49  72.393  -2.031  -1.635
  353    HA   LYS  49           HA       LYS  49  72.965  -0.358  -3.989
  354   1HB   LYS  49          2HB       LYS  49  74.160  -0.919  -1.549
  355   2HB   LYS  49          1HB       LYS  49  75.165  -1.806  -2.695
  356   1HG   LYS  49          2HG       LYS  49  74.663   0.679  -3.915
  357   2HG   LYS  49          1HG       LYS  49  75.024   1.048  -2.228
  358   1HD   LYS  49          2HD       LYS  49  76.975  -0.715  -2.620
  359   2HD   LYS  49          1HD       LYS  49  76.760  -0.231  -4.303
  360   1HE   LYS  49          2HE       LYS  49  77.658   1.840  -3.942
  361   2HE   LYS  49          1HE       LYS  49  76.838   2.019  -2.377
  362   1HZ   LYS  49          1HZ       LYS  49  78.410   0.137  -1.650
  363   2HZ   LYS  49          2HZ       LYS  49  79.038   1.712  -1.764
  364   3HZ   LYS  49          3HZ       LYS  49  79.340   0.581  -2.997
  365    H    ASN  50           H        ASN  50  72.780  -3.750  -3.178
  366    HA   ASN  50           HA       ASN  50  73.942  -4.443  -5.859
  367   1HB   ASN  50          2HB       ASN  50  74.437  -5.330  -3.159
  368   2HB   ASN  50          1HB       ASN  50  73.869  -6.690  -4.129
  369   1HD2  ASN  50          1HD2      ASN  50  75.338  -7.605  -5.611
  370   2HD2  ASN  50          2HD2      ASN  50  76.874  -6.949  -5.958
  371    H    GLY  51           H        GLY  51  71.057  -4.172  -4.236
  372   1HA   GLY  51          2HA       GLY  51  68.911  -5.063  -4.610
  373   2HA   GLY  51          1HA       GLY  51  69.531  -5.532  -6.196
  374    H    SER  52           H        SER  52  67.722  -7.198  -4.608
  375    HA   SER  52           HA       SER  52  69.206  -9.690  -4.762
  376   1HB   SER  52          2HB       SER  52  70.269  -9.623  -2.783
  377   2HB   SER  52          1HB       SER  52  69.536  -8.062  -2.428
  378    HG   SER  52           HG       SER  52  69.062 -10.339  -1.243
  379    H    GLN  53           H        GLN  53  67.948 -11.569  -4.109
  380    HA   GLN  53           HA       GLN  53  65.018 -10.996  -3.849
  381   1HB   GLN  53          2HB       GLN  53  64.734 -12.521  -5.516
  382   2HB   GLN  53          1HB       GLN  53  66.465 -12.380  -5.779
  383   1HG   GLN  53          2HG       GLN  53  65.087 -14.446  -4.035
  384   2HG   GLN  53          1HG       GLN  53  65.841 -14.731  -5.597
  385   1HE2  GLN  53          1HE2      GLN  53  68.278 -13.719  -5.587
  386   2HE2  GLN  53          2HE2      GLN  53  69.206 -14.196  -4.237
  387    H    GLY  54           H        GLY  54  64.045 -13.356  -2.950
  388   1HA   GLY  54          2HA       GLY  54  63.875 -14.771  -1.075
  389   2HA   GLY  54          1HA       GLY  54  65.613 -14.562  -0.836
  390    H    VAL  55           H        VAL  55  63.762 -11.697  -1.132
  391    HA   VAL  55           HA       VAL  55  64.232 -11.094   1.745
  392    HB   VAL  55           HB       VAL  55  63.411  -9.341  -0.597
  393   1HG1  VAL  55          1HG1      VAL  55  63.311  -8.765   2.074
  394   2HG1  VAL  55          2HG1      VAL  55  63.568  -7.564   0.809
  395   3HG1  VAL  55          3HG1      VAL  55  64.948  -8.245   1.670
  396   1HG2  VAL  55          1HG2      VAL  55  65.558 -10.403  -1.061
  397   2HG2  VAL  55          2HG2      VAL  55  66.146  -9.984   0.547
  398   3HG2  VAL  55          3HG2      VAL  55  65.831  -8.714  -0.635
  399    H    TRP  56           H        TRP  56  61.694  -9.990  -0.506
  400    HA   TRP  56           HA       TRP  56  59.662 -10.553   1.610
  401   1HB   TRP  56          2HB       TRP  56  59.790  -8.708  -0.794
  402   2HB   TRP  56          1HB       TRP  56  58.375  -8.871   0.245
  403    HD1  TRP  56           HD1      TRP  56  61.838  -7.368   0.102
  404    HE1  TRP  56           HE1      TRP  56  62.214  -5.888   2.179
  405    HE3  TRP  56           HE3      TRP  56  57.702  -8.608   2.835
  406    HZ2  TRP  56           HZ2      TRP  56  60.933  -5.305   4.667
  407    HZ3  TRP  56           HZ3      TRP  56  57.309  -7.573   5.056
  408    HH2  TRP  56           HH2      TRP  56  58.913  -5.924   5.967
  409    H    GLY  57           H        GLY  57  60.392 -10.918  -1.841
  410   1HA   GLY  57          2HA       GLY  57  58.815 -13.372  -1.989
  411   2HA   GLY  57          1HA       GLY  57  58.109 -12.033  -2.897
  412    HA   PRO  58           HA       PRO  58  61.194 -14.186  -5.629
  413   1HB   PRO  58          2HB       PRO  58  59.211 -14.030  -7.704
  414   2HB   PRO  58          1HB       PRO  58  59.804 -15.472  -6.875
  415   1HG   PRO  58          2HG       PRO  58  57.221 -14.319  -6.648
  416   2HG   PRO  58          1HG       PRO  58  57.882 -15.646  -5.686
  417   1HD   PRO  58          2HD       PRO  58  57.417 -12.858  -4.896
  418   2HD   PRO  58          1HD       PRO  58  57.801 -14.263  -3.871
  419    H    ILE  59           H        ILE  59  60.144 -11.115  -5.235
  420    HA   ILE  59           HA       ILE  59  61.079 -10.178  -7.917
  421    HB   ILE  59           HB       ILE  59  59.606  -8.619  -5.782
  422   1HG1  ILE  59          2HG1      ILE  59  58.517 -10.413  -7.969
  423   2HG1  ILE  59          1HG1      ILE  59  58.205 -10.525  -6.238
  424   1HG2  ILE  59          1HG2      ILE  59  59.536  -8.285  -8.784
  425   2HG2  ILE  59          2HG2      ILE  59  60.782  -7.521  -7.797
  426   3HG2  ILE  59          3HG2      ILE  59  59.085  -7.116  -7.543
  427   1HD1  ILE  59          1HD1      ILE  59  56.281  -9.465  -7.206
  428   2HD1  ILE  59          2HD1      ILE  59  57.287  -8.356  -8.139
  429   3HD1  ILE  59          3HD1      ILE  59  57.192  -8.197  -6.385
  430    HA   PRO  60           HA       PRO  60  64.559  -9.338  -4.921
  431   1HB   PRO  60          2HB       PRO  60  66.246  -9.444  -7.249
  432   2HB   PRO  60          1HB       PRO  60  66.180 -10.581  -5.906
  433   1HG   PRO  60          2HG       PRO  60  65.222 -10.945  -8.600
  434   2HG   PRO  60          1HG       PRO  60  65.203 -12.111  -7.275
  435   1HD   PRO  60          2HD       PRO  60  62.955 -10.751  -8.419
  436   2HD   PRO  60          1HD       PRO  60  62.959 -11.830  -7.003
  437    H    MET  61           H        MET  61  65.527  -7.292  -4.664
  438    HA   MET  61           HA       MET  61  64.551  -5.100  -6.299
  439   1HB   MET  61          2HB       MET  61  64.966  -4.786  -3.966
  440   2HB   MET  61          1HB       MET  61  66.592  -5.444  -4.093
  441   1HG   MET  61          2HG       MET  61  67.387  -3.548  -5.291
  442   2HG   MET  61          1HG       MET  61  65.751  -2.968  -5.610
  443   1HE   MET  61          1HE       MET  61  66.860  -3.428  -1.206
  444   2HE   MET  61          2HE       MET  61  67.769  -4.256  -2.468
  445   3HE   MET  61          3HE       MET  61  66.048  -4.572  -2.284
  446    HA   PRO  62           HA       PRO  62  67.868  -5.386  -9.304
  447   1HB   PRO  62          2HB       PRO  62  67.308  -2.693 -10.153
  448   2HB   PRO  62          1HB       PRO  62  66.830  -4.197 -10.947
  449   1HG   PRO  62          2HG       PRO  62  65.125  -2.347  -9.627
  450   2HG   PRO  62          1HG       PRO  62  64.682  -3.931 -10.271
  451   1HD   PRO  62          2HD       PRO  62  65.017  -3.122  -7.477
  452   2HD   PRO  62          1HD       PRO  62  64.328  -4.630  -8.128
  453    HA   PRO  63           HA       PRO  63  71.013  -3.334  -6.905
  454   1HB   PRO  63          2HB       PRO  63  72.817  -3.326  -9.141
  455   2HB   PRO  63          1HB       PRO  63  72.803  -4.423  -7.756
  456   1HG   PRO  63          2HG       PRO  63  72.058  -5.005 -10.471
  457   2HG   PRO  63          1HG       PRO  63  72.052  -6.097  -9.084
  458   1HD   PRO  63          2HD       PRO  63  69.777  -4.961 -10.446
  459   2HD   PRO  63          1HD       PRO  63  69.772  -6.048  -9.034
  460    H    ASN  64           H        ASN  64  71.291  -1.142  -6.581
  461    HA   ASN  64           HA       ASN  64  70.714   0.682  -8.883
  462   1HB   ASN  64          2HB       ASN  64  70.685   1.168  -5.888
  463   2HB   ASN  64          1HB       ASN  64  70.043   2.245  -7.133
  464   1HD2  ASN  64          1HD2      ASN  64  69.598  -1.037  -5.739
  465   2HD2  ASN  64          2HD2      ASN  64  67.950  -1.157  -6.158
  466    H    ALA  65           H        ALA  65  71.907   2.878  -8.613
  467    HA   ALA  65           HA       ALA  65  74.798   2.300  -8.183
  468   1HB   ALA  65          1HB       ALA  65  73.264   4.503  -9.599
  469   2HB   ALA  65          2HB       ALA  65  74.120   3.163 -10.361
  470   3HB   ALA  65          3HB       ALA  65  75.024   4.422  -9.520
  471    H    VAL  66           H        VAL  66  72.952   2.784  -5.931
  472    HA   VAL  66           HA       VAL  66  73.390   5.515  -4.985
  473    HB   VAL  66           HB       VAL  66  72.398   4.484  -2.880
  474   1HG1  VAL  66          1HG1      VAL  66  71.229   5.017  -5.395
  475   2HG1  VAL  66          2HG1      VAL  66  70.418   4.979  -3.828
  476   3HG1  VAL  66          3HG1      VAL  66  70.485   3.523  -4.823
  477   1HG2  VAL  66          1HG2      VAL  66  71.632   2.039  -4.321
  478   2HG2  VAL  66          2HG2      VAL  66  72.193   2.234  -2.659
  479   3HG2  VAL  66          3HG2      VAL  66  73.360   2.131  -3.977
  480    H    SER  67           H        SER  67  75.335   6.178  -4.145
  481    HA   SER  67           HA       SER  67  77.626   4.629  -3.717
  482   1HB   SER  67          2HB       SER  67  76.792   7.008  -2.040
  483   2HB   SER  67          1HB       SER  67  78.425   6.553  -2.518
  484    HG   SER  67           HG       SER  67  78.119   7.566  -4.327
  485    H    ASP  68           H        ASP  68  78.622   4.525  -1.292
  486    HA   ASP  68           HA       ASP  68  77.096   2.521   0.115
  487   1HB   ASP  68          2HB       ASP  68  79.473   2.467   0.246
  488   2HB   ASP  68          1HB       ASP  68  79.566   4.177   0.674
  489    H    ASP  69           H        ASP  69  78.058   5.827   1.140
  490    HA   ASP  69           HA       ASP  69  76.383   5.935   3.441
  491   1HB   ASP  69          2HB       ASP  69  77.498   8.028   1.547
  492   2HB   ASP  69          1HB       ASP  69  76.695   8.438   3.065
  493    H    GLU  70           H        GLU  70  75.642   6.079   0.076
  494    HA   GLU  70           HA       GLU  70  73.157   7.585   0.304
  495   1HB   GLU  70          2HB       GLU  70  74.715   6.084  -1.745
  496   2HB   GLU  70          1HB       GLU  70  72.991   6.292  -2.056
  497   1HG   GLU  70          2HG       GLU  70  74.293   8.739  -1.090
  498   2HG   GLU  70          1HG       GLU  70  74.946   8.163  -2.625
  499    H    ALA  71           H        ALA  71  73.946   4.135  -0.213
  500    HA   ALA  71           HA       ALA  71  71.221   3.205  -0.046
  501   1HB   ALA  71          1HB       ALA  71  73.645   2.180  -0.760
  502   2HB   ALA  71          2HB       ALA  71  72.237   1.175  -0.415
  503   3HB   ALA  71          3HB       ALA  71  73.453   1.448   0.834
  504    H    GLN  72           H        GLN  72  73.601   4.122   2.323
  505    HA   GLN  72           HA       GLN  72  72.463   2.696   4.582
  506   1HB   GLN  72          2HB       GLN  72  74.404   4.948   4.105
  507   2HB   GLN  72          1HB       GLN  72  73.853   4.613   5.747
  508   1HG   GLN  72          2HG       GLN  72  74.556   2.230   5.445
  509   2HG   GLN  72          1HG       GLN  72  75.223   2.665   3.871
  510   1HE2  GLN  72          1HE2      GLN  72  76.213   2.124   6.964
  511   2HE2  GLN  72          2HE2      GLN  72  77.542   3.192   7.041
  512    H    THR  73           H        THR  73  72.236   6.001   3.304
  513    HA   THR  73           HA       THR  73  70.323   6.921   5.280
  514    HB   THR  73           HB       THR  73  70.623   8.032   2.498
  515    HG1  THR  73           HG1      THR  73  72.512   9.110   3.836
  516   1HG2  THR  73          1HG2      THR  73  70.965   9.949   4.559
  517   2HG2  THR  73          2HG2      THR  73  69.628   8.910   5.049
  518   3HG2  THR  73          3HG2      THR  73  69.570   9.747   3.498
  519    H    LEU  74           H        LEU  74  70.191   5.143   2.290
  520    HA   LEU  74           HA       LEU  74  67.418   5.613   1.620
  521   1HB   LEU  74          2HB       LEU  74  69.521   3.535   0.992
  522   2HB   LEU  74          1HB       LEU  74  67.876   3.349   0.395
  523    HG   LEU  74           HG       LEU  74  69.619   5.781  -0.078
  524   1HD1  LEU  74          1HD1      LEU  74  69.390   3.220  -1.446
  525   2HD1  LEU  74          2HD1      LEU  74  70.540   4.529  -1.713
  526   3HD1  LEU  74          3HD1      LEU  74  68.966   4.563  -2.507
  527   1HD2  LEU  74          1HD2      LEU  74  67.618   5.883  -1.907
  528   2HD2  LEU  74          2HD2      LEU  74  67.533   6.685  -0.340
  529   3HD2  LEU  74          3HD2      LEU  74  66.770   5.112  -0.566
  530    H    ALA  75           H        ALA  75  69.121   3.210   3.607
  531    HA   ALA  75           HA       ALA  75  66.800   1.578   4.183
  532   1HB   ALA  75          1HB       ALA  75  68.923   0.591   4.501
  533   2HB   ALA  75          2HB       ALA  75  68.408   0.944   6.151
  534   3HB   ALA  75          3HB       ALA  75  69.555   2.010   5.338
  535    H    LYS  76           H        LYS  76  68.546   4.077   6.065
  536    HA   LYS  76           HA       LYS  76  66.722   4.163   8.265
  537   1HB   LYS  76          2HB       LYS  76  68.892   5.812   7.067
  538   2HB   LYS  76          1HB       LYS  76  67.802   6.649   8.174
  539   1HG   LYS  76          2HG       LYS  76  68.499   5.436   9.994
  540   2HG   LYS  76          1HG       LYS  76  68.794   3.981   9.043
  541   1HD   LYS  76          2HD       LYS  76  70.975   4.492   8.828
  542   2HD   LYS  76          1HD       LYS  76  70.580   6.095   8.209
  543   1HE   LYS  76          2HE       LYS  76  71.864   6.388  10.254
  544   2HE   LYS  76          1HE       LYS  76  70.181   6.814  10.620
  545   1HZ   LYS  76          1HZ       LYS  76  69.793   4.771  11.623
  546   2HZ   LYS  76          2HZ       LYS  76  71.360   5.151  12.159
  547   3HZ   LYS  76          3HZ       LYS  76  71.136   4.033  10.898
  548    H    TRP  77           H        TRP  77  66.595   5.467   5.034
  549    HA   TRP  77           HA       TRP  77  64.604   7.523   5.533
  550   1HB   TRP  77          2HB       TRP  77  66.073   7.640   3.623
  551   2HB   TRP  77          1HB       TRP  77  65.597   6.025   3.092
  552    HD1  TRP  77           HD1      TRP  77  63.760   9.356   3.872
  553    HE1  TRP  77           HE1      TRP  77  61.958   9.706   2.061
  554    HE3  TRP  77           HE3      TRP  77  64.446   5.118   1.114
  555    HZ2  TRP  77           HZ2      TRP  77  60.944   8.370  -0.251
  556    HZ3  TRP  77           HZ3      TRP  77  63.048   4.679  -0.888
  557    HH2  TRP  77           HH2      TRP  77  61.299   6.302  -1.572
  558    H    ILE  78           H        ILE  78  64.495   4.150   4.363
  559    HA   ILE  78           HA       ILE  78  61.681   4.054   3.840
  560    HB   ILE  78           HB       ILE  78  63.701   1.944   4.677
  561   1HG1  ILE  78          2HG1      ILE  78  62.590   2.576   1.925
  562   2HG1  ILE  78          1HG1      ILE  78  64.114   3.229   2.524
  563   1HG2  ILE  78          1HG2      ILE  78  61.660   0.881   5.072
  564   2HG2  ILE  78          2HG2      ILE  78  61.950   0.480   3.380
  565   3HG2  ILE  78          3HG2      ILE  78  60.833   1.778   3.800
  566   1HD1  ILE  78          1HD1      ILE  78  63.645   0.679   1.340
  567   2HD1  ILE  78          2HD1      ILE  78  64.091   0.414   3.026
  568   3HD1  ILE  78          3HD1      ILE  78  65.163   1.324   1.961
  569    H    LEU  79           H        LEU  79  63.495   2.826   6.684
  570    HA   LEU  79           HA       LEU  79  61.156   2.286   8.265
  571   1HB   LEU  79          2HB       LEU  79  64.086   2.778   8.861
  572   2HB   LEU  79          1HB       LEU  79  62.932   2.311  10.111
  573    HG   LEU  79           HG       LEU  79  62.448   0.521   8.019
  574   1HD1  LEU  79          1HD1      LEU  79  64.607   1.313   7.022
  575   2HD1  LEU  79          2HD1      LEU  79  64.629  -0.396   7.456
  576   3HD1  LEU  79          3HD1      LEU  79  65.432   0.787   8.489
  577   1HD2  LEU  79          1HD2      LEU  79  64.266  -0.624   9.919
  578   2HD2  LEU  79          2HD2      LEU  79  62.514  -0.800   9.843
  579   3HD2  LEU  79          3HD2      LEU  79  63.227   0.522  10.765
  580    H    SER  80           H        SER  80  62.835   5.207   7.489
  581    HA   SER  80           HA       SER  80  62.003   6.722   9.845
  582   1HB   SER  80          2HB       SER  80  63.953   7.491   8.783
  583   2HB   SER  80          1HB       SER  80  63.279   7.260   7.172
  584    HG   SER  80           HG       SER  80  62.308   9.141   9.063
  585    H    GLN  81           H        GLN  81  60.707   6.082   6.615
  586    HA   GLN  81           HA       GLN  81  58.821   8.196   6.420
  587   1HB   GLN  81          2HB       GLN  81  59.009   5.351   5.452
  588   2HB   GLN  81          1HB       GLN  81  57.573   6.311   5.090
  589   1HG   GLN  81          2HG       GLN  81  58.702   7.718   3.671
  590   2HG   GLN  81          1HG       GLN  81  60.198   7.622   4.601
  591   1HE2  GLN  81          1HE2      GLN  81  61.747   6.791   3.177
  592   2HE2  GLN  81          2HE2      GLN  81  61.521   5.407   2.204
  593    H    LYS  82           H        LYS  82  56.281   7.150   6.344
  594    HA   LYS  82           HA       LYS  82  55.656   5.687   8.812
  595   1HB   LYS  82          2HB       LYS  82  56.233   8.291   9.145
  596   2HB   LYS  82          1HB       LYS  82  54.532   8.449   8.702
  597   1HG   LYS  82          2HG       LYS  82  54.214   8.112  10.943
  598   2HG   LYS  82          1HG       LYS  82  54.355   6.416  10.480
  599   1HD   LYS  82          2HD       LYS  82  56.220   6.199  11.717
  600   2HD   LYS  82          1HD       LYS  82  56.990   7.513  10.827
  601   1HE   LYS  82          2HE       LYS  82  56.961   8.320  13.053
  602   2HE   LYS  82          1HE       LYS  82  55.510   9.065  12.350
  603   1HZ   LYS  82          1HZ       LYS  82  54.272   7.051  13.081
  604   2HZ   LYS  82          2HZ       LYS  82  54.863   7.995  14.364
  605   3HZ   LYS  82          3HZ       LYS  82  55.653   6.554  13.933
  606    HHA  HEM  83           HHA      HEM  83  63.087  -5.180  -0.968
  607    HHB  HEM  83           HHB      HEM  83  65.434   0.714  -0.113
  608    HHC  HEM  83           HHC      HEM  83  64.714   1.762  -6.283
  609    HHD  HEM  83           HHD      HEM  83  61.702  -3.730  -6.923
  610   1HMA  HEM  83          1HMA      HEM  83  65.798  -0.457   1.681
  611   2HMA  HEM  83          2HMA      HEM  83  66.401  -2.076   2.036
  612   3HMA  HEM  83          3HMA      HEM  83  64.795  -1.592   2.581
  613   1HAA  HEM  83          1HAA      HEM  83  63.693  -4.857   1.413
  614   2HAA  HEM  83          2HAA      HEM  83  65.276  -4.289   1.939
  615   1HBA  HEM  83          1HBA      HEM  83  65.877  -5.189  -0.563
  616   2HBA  HEM  83          2HBA      HEM  83  64.578  -6.297  -0.127
  617    H2A  HEM  83          3HBB      HEM  83  68.109   2.859  -4.226
  618   1HMB  HEM  83          1HMB      HEM  83  67.325   3.317  -1.995
  619   2HMB  HEM  83          2HMB      HEM  83  66.872   2.234  -0.677
  620   3HMB  HEM  83          3HMB      HEM  83  65.824   3.586  -1.107
  621    HAB  HEM  83           HAB      HEM  83  65.462   3.296  -5.589
  622   1HBB  HEM  83          1HBB      HEM  83  67.896   3.999  -5.552
  623   2HBB  HEM  83          2HBB      HEM  83  67.593   2.283  -5.811
  624   1HMC  HEM  83          1HMC      HEM  83  64.711   0.233  -9.294
  625   2HMC  HEM  83          2HMC      HEM  83  64.268   1.610  -8.286
  626   3HMC  HEM  83          3HMC      HEM  83  63.062   0.860  -9.330
  627    HAC  HEM  83           HAC      HEM  83  61.385  -2.766  -8.483
  628   1HBC  HEM  83          1HBC      HEM  83  63.313  -1.288 -10.243
  629   2HBC  HEM  83          2HBC      HEM  83  61.858  -2.026 -10.914
  630   1HMD  HEM  83          1HMD      HEM  83  61.434  -6.330  -6.405
  631   2HMD  HEM  83          2HMD      HEM  83  60.025  -5.323  -6.071
  632   3HMD  HEM  83          3HMD      HEM  83  60.326  -6.767  -5.105
  633   1HAD  HEM  83          1HAD      HEM  83  60.570  -7.091  -3.126
  634   2HAD  HEM  83          2HAD      HEM  83  61.213  -6.439  -1.622
  635   1HBD  HEM  83          1HBD      HEM  83  63.037  -7.785  -1.688
  636   2HBD  HEM  83          2HBD      HEM  83  63.273  -7.534  -3.419
  637    H2D  HEM  83          3HBC      HEM  83  63.054  -3.026 -10.091
  Start of MODEL   13
    1   1H    GLU   1          1H        GLU   1  68.388  18.647   2.333
    2   2H    GLU   1          2H        GLU   1  66.809  19.179   2.002
    3   3H    GLU   1          3H        GLU   1  68.096  19.650   0.998
    4    HA   GLU   1           HA       GLU   1  66.631  17.823   0.085
    5   1HB   GLU   1          2HB       GLU   1  69.269  18.493  -0.141
    6   2HB   GLU   1          1HB       GLU   1  69.399  16.796   0.325
    7   1HG   GLU   1          2HG       GLU   1  69.012  16.295  -1.841
    8   2HG   GLU   1          1HG       GLU   1  67.349  16.819  -1.566
    9    H    ASP   2           H        ASP   2  65.342  16.761   1.779
   10    HA   ASP   2           HA       ASP   2  66.504  14.982   3.734
   11   1HB   ASP   2          2HB       ASP   2  63.915  15.924   2.808
   12   2HB   ASP   2          1HB       ASP   2  63.860  14.199   3.168
   13    HA   PRO   3           HA       PRO   3  67.076  11.180   1.614
   14   1HB   PRO   3          2HB       PRO   3  65.094   9.609   2.979
   15   2HB   PRO   3          1HB       PRO   3  66.830   9.675   3.293
   16   1HG   PRO   3          2HG       PRO   3  64.711  10.744   4.904
   17   2HG   PRO   3          1HG       PRO   3  66.449  10.817   5.209
   18   1HD   PRO   3          2HD       PRO   3  64.696  12.970   4.413
   19   2HD   PRO   3          1HD       PRO   3  66.447  13.047   4.726
   20    H    GLU   4           H        GLU   4  63.830  12.418   1.847
   21    HA   GLU   4           HA       GLU   4  62.546  10.616  -0.002
   22   1HB   GLU   4          2HB       GLU   4  61.695  12.435   1.731
   23   2HB   GLU   4          1HB       GLU   4  61.780  13.500   0.326
   24   1HG   GLU   4          2HG       GLU   4  60.367  10.830   0.238
   25   2HG   GLU   4          1HG       GLU   4  59.542  12.315   0.712
   26    H    VAL   5           H        VAL   5  64.095  13.812  -0.385
   27    HA   VAL   5           HA       VAL   5  63.609  14.175  -3.158
   28    HB   VAL   5           HB       VAL   5  65.777  15.032  -1.236
   29   1HG1  VAL   5          1HG1      VAL   5  67.056  15.479  -3.059
   30   2HG1  VAL   5          2HG1      VAL   5  65.914  16.791  -3.356
   31   3HG1  VAL   5          3HG1      VAL   5  65.706  15.240  -4.170
   32   1HG2  VAL   5          1HG2      VAL   5  64.536  17.280  -1.931
   33   2HG2  VAL   5          2HG2      VAL   5  63.853  16.217  -0.701
   34   3HG2  VAL   5          3HG2      VAL   5  63.237  16.164  -2.353
   35    H    LEU   6           H        LEU   6  66.463  12.733  -1.538
   36    HA   LEU   6           HA       LEU   6  67.715  11.946  -4.032
   37   1HB   LEU   6          2HB       LEU   6  69.239  10.747  -2.526
   38   2HB   LEU   6          1HB       LEU   6  68.881  12.339  -1.862
   39    HG   LEU   6           HG       LEU   6  66.998  11.156  -0.545
   40   1HD1  LEU   6          1HD1      LEU   6  68.312   8.675  -0.264
   41   2HD1  LEU   6          2HD1      LEU   6  68.168   8.943  -2.002
   42   3HD1  LEU   6          3HD1      LEU   6  66.727   8.961  -0.984
   43   1HD2  LEU   6          1HD2      LEU   6  69.963  10.877  -0.090
   44   2HD2  LEU   6          2HD2      LEU   6  68.824  10.208   1.078
   45   3HD2  LEU   6          3HD2      LEU   6  68.814  11.936   0.728
   46    H    ALA   7           H        ALA   7  65.266  10.591  -1.985
   47    HA   ALA   7           HA       ALA   7  65.463   7.825  -2.681
   48   1HB   ALA   7          1HB       ALA   7  63.820   7.909  -1.127
   49   2HB   ALA   7          2HB       ALA   7  62.743   8.593  -2.343
   50   3HB   ALA   7          3HB       ALA   7  63.704   9.658  -1.317
   51    H    LYS   8           H        LYS   8  63.818  10.574  -4.224
   52    HA   LYS   8           HA       LYS   8  62.612   8.948  -6.331
   53   1HB   LYS   8          2HB       LYS   8  62.425  11.562  -5.240
   54   2HB   LYS   8          1HB       LYS   8  62.861  11.759  -6.938
   55   1HG   LYS   8          2HG       LYS   8  60.999  10.114  -7.487
   56   2HG   LYS   8          1HG       LYS   8  60.485  10.264  -5.806
   57   1HD   LYS   8          2HD       LYS   8  59.518  12.265  -6.191
   58   2HD   LYS   8          1HD       LYS   8  60.954  12.870  -7.017
   59   1HE   LYS   8          2HE       LYS   8  59.267  10.871  -8.475
   60   2HE   LYS   8          1HE       LYS   8  58.667  12.537  -8.350
   61   1HZ   LYS   8          1HZ       LYS   8  61.332  11.675  -9.345
   62   2HZ   LYS   8          2HZ       LYS   8  60.896  13.292  -9.064
   63   3HZ   LYS   8          3HZ       LYS   8  60.093  12.388 -10.258
   64    H    ASN   9           H        ASN   9  65.427  11.126  -6.063
   65    HA   ASN   9           HA       ASN   9  66.220  11.054  -8.810
   66   1HB   ASN   9          2HB       ASN   9  68.054  11.231  -6.409
   67   2HB   ASN   9          1HB       ASN   9  68.239  12.021  -7.974
   68   1HD2  ASN   9          1HD2      ASN   9  65.166  12.569  -7.852
   69   2HD2  ASN   9          2HD2      ASN   9  65.056  13.935  -6.836
   70    H    LYS  10           H        LYS  10  66.563   8.720  -6.228
   71    HA   LYS  10           HA       LYS  10  68.642   7.190  -7.674
   72   1HB   LYS  10          2HB       LYS  10  67.138   6.847  -5.060
   73   2HB   LYS  10          1HB       LYS  10  68.386   5.731  -5.622
   74   1HG   LYS  10          2HG       LYS  10  68.787   8.706  -5.175
   75   2HG   LYS  10          1HG       LYS  10  69.309   7.435  -4.069
   76   1HD   LYS  10          2HD       LYS  10  70.467   6.476  -6.255
   77   2HD   LYS  10          1HD       LYS  10  70.391   8.164  -6.761
   78   1HE   LYS  10          2HE       LYS  10  71.315   8.417  -4.183
   79   2HE   LYS  10          1HE       LYS  10  72.092   6.907  -4.703
   80   1HZ   LYS  10          1HZ       LYS  10  73.026   7.934  -6.560
   81   2HZ   LYS  10          2HZ       LYS  10  73.235   9.090  -5.333
   82   3HZ   LYS  10          3HZ       LYS  10  71.988   9.273  -6.472
   83    H    GLY  11           H        GLY  11  65.212   7.343  -7.498
   84   1HA   GLY  11          2HA       GLY  11  63.759   6.100  -8.955
   85   2HA   GLY  11          1HA       GLY  11  65.027   4.888  -9.146
   86    H    CYS  12           H        CYS  12  64.625   5.808  -5.900
   87    HA   CYS  12           HA       CYS  12  63.722   3.185  -5.112
   88   1HB   CYS  12          2HB       CYS  12  63.645   5.754  -3.516
   89   2HB   CYS  12          1HB       CYS  12  63.849   4.114  -2.899
   90    H    MET  13           H        MET  13  62.085   6.332  -5.441
   91    HA   MET  13           HA       MET  13  59.553   5.345  -4.373
   92   1HB   MET  13          2HB       MET  13  60.658   7.838  -5.615
   93   2HB   MET  13          1HB       MET  13  58.903   7.657  -5.506
   94   1HG   MET  13          2HG       MET  13  59.992   6.838  -3.008
   95   2HG   MET  13          1HG       MET  13  60.748   8.375  -3.431
   96   1HE   MET  13          1HE       MET  13  58.058   6.542  -1.982
   97   2HE   MET  13          2HE       MET  13  57.128   6.582  -3.478
   98   3HE   MET  13          3HE       MET  13  56.563   7.481  -2.071
   99    H    ALA  14           H        ALA  14  61.033   4.526  -7.169
  100    HA   ALA  14           HA       ALA  14  58.780   4.894  -9.022
  101   1HB   ALA  14          1HB       ALA  14  60.896   3.052  -9.813
  102   2HB   ALA  14          2HB       ALA  14  61.549   4.560  -9.173
  103   3HB   ALA  14          3HB       ALA  14  60.433   4.591 -10.538
  104    H    CYS  15           H        CYS  15  60.440   2.162  -7.444
  105    HA   CYS  15           HA       CYS  15  58.256   0.319  -8.281
  106   1HB   CYS  15          2HB       CYS  15  60.975   0.000  -6.981
  107   2HB   CYS  15          1HB       CYS  15  59.888  -1.350  -7.296
  108    H    HIS  16           H        HIS  16  59.361   2.115  -5.527
  109    HA   HIS  16           HA       HIS  16  57.817   0.343  -3.679
  110   1HB   HIS  16          2HB       HIS  16  60.155   2.195  -3.479
  111   2HB   HIS  16          1HB       HIS  16  59.176   1.915  -2.039
  112    HD1  HIS  16           HD1      HIS  16  58.498  -1.010  -2.255
  113    HD2  HIS  16           HD2      HIS  16  62.294   0.470  -3.160
  114    HE1  HIS  16           HE1      HIS  16  60.101  -2.950  -2.011
  115    H    ALA  17           H        ALA  17  57.009   1.675  -1.731
  116    HA   ALA  17           HA       ALA  17  55.937   4.351  -2.341
  117   1HB   ALA  17          1HB       ALA  17  54.508   2.020  -3.002
  118   2HB   ALA  17          2HB       ALA  17  53.837   3.645  -2.862
  119   3HB   ALA  17          3HB       ALA  17  53.802   2.554  -1.477
  120    H    ILE  18           H        ILE  18  54.170   4.573  -0.220
  121    HA   ILE  18           HA       ILE  18  55.992   4.187   2.089
  122    HB   ILE  18           HB       ILE  18  53.283   5.551   1.879
  123   1HG1  ILE  18          2HG1      ILE  18  54.975   6.423   0.246
  124   2HG1  ILE  18          1HG1      ILE  18  54.516   7.611   1.467
  125   1HG2  ILE  18          1HG2      ILE  18  55.094   5.045   4.048
  126   2HG2  ILE  18          2HG2      ILE  18  53.562   5.919   4.080
  127   3HG2  ILE  18          3HG2      ILE  18  55.060   6.780   3.728
  128   1HD1  ILE  18          1HD1      ILE  18  57.040   5.943   1.366
  129   2HD1  ILE  18          2HD1      ILE  18  56.538   6.826   2.807
  130   3HD1  ILE  18          3HD1      ILE  18  56.905   7.701   1.321
  131    H    ASP  19           H        ASP  19  52.432   3.894   1.924
  132    HA   ASP  19           HA       ASP  19  52.681   1.364   3.516
  133   1HB   ASP  19          2HB       ASP  19  51.541   3.615   4.303
  134   2HB   ASP  19          1HB       ASP  19  50.199   3.049   3.307
  135    H    THR  20           H        THR  20  51.803   2.632   0.482
  136    HA   THR  20           HA       THR  20  49.654   0.764  -0.166
  137    HB   THR  20           HB       THR  20  50.408   1.671  -2.535
  138    HG1  THR  20           HG1      THR  20  51.373   3.881  -1.794
  139   1HG2  THR  20          1HG2      THR  20  49.337   3.938  -1.856
  140   2HG2  THR  20          2HG2      THR  20  49.160   3.199  -0.264
  141   3HG2  THR  20          3HG2      THR  20  48.379   2.469  -1.666
  142    H    LYS  21           H        LYS  21  50.513  -0.168  -2.694
  143    HA   LYS  21           HA       LYS  21  52.965  -1.757  -2.180
  144   1HB   LYS  21          2HB       LYS  21  50.242  -2.652  -1.909
  145   2HB   LYS  21          1HB       LYS  21  51.001  -3.509  -3.250
  146   1HG   LYS  21          2HG       LYS  21  52.674  -4.427  -1.891
  147   2HG   LYS  21          1HG       LYS  21  52.462  -3.202  -0.639
  148   1HD   LYS  21          2HD       LYS  21  50.797  -4.361   0.374
  149   2HD   LYS  21          1HD       LYS  21  50.037  -4.779  -1.162
  150   1HE   LYS  21          2HE       LYS  21  52.509  -6.193  -1.052
  151   2HE   LYS  21          1HE       LYS  21  51.682  -6.445   0.498
  152   1HZ   LYS  21          1HZ       LYS  21  50.973  -7.976  -1.345
  153   2HZ   LYS  21          2HZ       LYS  21  50.299  -6.624  -2.122
  154   3HZ   LYS  21          3HZ       LYS  21  49.715  -7.114  -0.603
  155    H    MET  22           H        MET  22  54.175  -1.520  -4.015
  156    HA   MET  22           HA       MET  22  52.732  -1.351  -6.642
  157   1HB   MET  22          2HB       MET  22  55.166   0.057  -5.521
  158   2HB   MET  22          1HB       MET  22  54.819   0.032  -7.254
  159   1HG   MET  22          2HG       MET  22  52.387   0.757  -6.294
  160   2HG   MET  22          1HG       MET  22  53.430   1.475  -5.066
  161   1HE   MET  22          1HE       MET  22  56.078   2.693  -6.523
  162   2HE   MET  22          2HE       MET  22  54.961   3.013  -5.199
  163   3HE   MET  22          3HE       MET  22  55.212   4.233  -6.445
  164    H    VAL  23           H        VAL  23  56.075  -1.343  -7.030
  165    HA   VAL  23           HA       VAL  23  56.081  -4.053  -8.109
  166    HB   VAL  23           HB       VAL  23  58.136  -1.859  -7.731
  167   1HG1  VAL  23          1HG1      VAL  23  59.697  -3.468  -8.028
  168   2HG1  VAL  23          2HG1      VAL  23  59.086  -3.598  -9.678
  169   3HG1  VAL  23          3HG1      VAL  23  58.478  -4.681  -8.424
  170   1HG2  VAL  23          1HG2      VAL  23  57.902  -1.776 -10.243
  171   2HG2  VAL  23          2HG2      VAL  23  56.433  -1.334  -9.374
  172   3HG2  VAL  23          3HG2      VAL  23  56.580  -2.934 -10.102
  173    H    GLY  24           H        GLY  24  57.275  -2.430  -5.214
  174   1HA   GLY  24          2HA       GLY  24  58.174  -5.094  -4.180
  175   2HA   GLY  24          1HA       GLY  24  58.999  -3.585  -3.764
  176    HA   PRO  25           HA       PRO  25  55.546  -4.635  -0.699
  177   1HB   PRO  25          2HB       PRO  25  57.546  -4.633   1.369
  178   2HB   PRO  25          1HB       PRO  25  56.568  -5.992   0.809
  179   1HG   PRO  25          2HG       PRO  25  59.365  -5.599   0.414
  180   2HG   PRO  25          1HG       PRO  25  58.360  -6.899  -0.231
  181   1HD   PRO  25          2HD       PRO  25  59.515  -4.637  -1.648
  182   2HD   PRO  25          1HD       PRO  25  58.629  -6.026  -2.319
  183    H    ALA  26           H        ALA  26  54.623  -2.923   0.473
  184    HA   ALA  26           HA       ALA  26  55.279  -0.264   0.125
  185   1HB   ALA  26          1HB       ALA  26  53.366  -1.582   1.414
  186   2HB   ALA  26          2HB       ALA  26  53.710   0.103   1.809
  187   3HB   ALA  26          3HB       ALA  26  54.351  -1.189   2.823
  188    H    TYR  27           H        TYR  27  56.423   1.313   1.503
  189    HA   TYR  27           HA       TYR  27  58.993   0.344   2.446
  190   1HB   TYR  27          2HB       TYR  27  57.513   2.920   2.164
  191   2HB   TYR  27          1HB       TYR  27  58.873   2.901   3.276
  192    HD1  TYR  27           HD1      TYR  27  60.633   0.876   1.879
  193    HD2  TYR  27           HD2      TYR  27  58.376   4.206   0.363
  194    HE1  TYR  27           HE1      TYR  27  62.207   1.083  -0.022
  195    HE2  TYR  27           HE2      TYR  27  59.953   4.409  -1.536
  196    HH   TYR  27           HH       TYR  27  62.063   3.790  -2.243
  197    H    LYS  28           H        LYS  28  56.409   2.136   4.180
  198    HA   LYS  28           HA       LYS  28  57.294   1.835   6.800
  199   1HB   LYS  28          2HB       LYS  28  55.116   2.836   5.609
  200   2HB   LYS  28          1HB       LYS  28  54.412   1.324   6.184
  201   1HG   LYS  28          2HG       LYS  28  55.238   1.846   8.475
  202   2HG   LYS  28          1HG       LYS  28  55.838   3.394   7.878
  203   1HD   LYS  28          2HD       LYS  28  53.619   4.138   7.332
  204   2HD   LYS  28          1HD       LYS  28  52.948   2.533   7.620
  205   1HE   LYS  28          2HE       LYS  28  52.670   3.012   9.814
  206   2HE   LYS  28          1HE       LYS  28  54.391   3.422   9.967
  207   1HZ   LYS  28          1HZ       LYS  28  53.786   5.553   8.768
  208   2HZ   LYS  28          2HZ       LYS  28  53.254   5.420  10.377
  209   3HZ   LYS  28          3HZ       LYS  28  52.165   5.173   9.095
  210    H    ASP  29           H        ASP  29  55.365  -0.484   4.904
  211    HA   ASP  29           HA       ASP  29  54.981  -2.513   6.810
  212   1HB   ASP  29          2HB       ASP  29  55.424  -2.416   3.835
  213   2HB   ASP  29          1HB       ASP  29  55.225  -3.975   4.636
  214    H    VAL  30           H        VAL  30  57.799  -2.009   4.663
  215    HA   VAL  30           HA       VAL  30  59.346  -4.249   5.408
  216    HB   VAL  30           HB       VAL  30  60.150  -1.401   4.733
  217   1HG1  VAL  30          1HG1      VAL  30  61.696  -3.869   5.239
  218   2HG1  VAL  30          2HG1      VAL  30  62.212  -2.185   5.305
  219   3HG1  VAL  30          3HG1      VAL  30  62.121  -3.020   3.753
  220   1HG2  VAL  30          1HG2      VAL  30  60.493  -3.351   2.635
  221   2HG2  VAL  30          2HG2      VAL  30  59.508  -1.888   2.628
  222   3HG2  VAL  30          3HG2      VAL  30  58.832  -3.403   3.223
  223    H    ALA  31           H        ALA  31  59.206  -1.016   6.895
  224    HA   ALA  31           HA       ALA  31  61.125  -1.590   8.981
  225   1HB   ALA  31          1HB       ALA  31  60.831   0.635   9.284
  226   2HB   ALA  31          2HB       ALA  31  59.112   0.418   9.614
  227   3HB   ALA  31          3HB       ALA  31  59.677   0.581   7.951
  228    H    ALA  32           H        ALA  32  57.741  -2.280   8.568
  229    HA   ALA  32           HA       ALA  32  57.138  -2.601  11.403
  230   1HB   ALA  32          1HB       ALA  32  55.509  -1.980   9.621
  231   2HB   ALA  32          2HB       ALA  32  55.004  -3.417  10.510
  232   3HB   ALA  32          3HB       ALA  32  55.719  -3.578   8.906
  233    H    LYS  33           H        LYS  33  58.313  -4.662   8.808
  234    HA   LYS  33           HA       LYS  33  57.869  -7.128  10.368
  235   1HB   LYS  33          2HB       LYS  33  57.631  -6.727   7.810
  236   2HB   LYS  33          1HB       LYS  33  59.394  -6.839   7.780
  237   1HG   LYS  33          2HG       LYS  33  58.886  -9.070   7.479
  238   2HG   LYS  33          1HG       LYS  33  58.894  -9.022   9.243
  239   1HD   LYS  33          2HD       LYS  33  56.313  -8.201   8.230
  240   2HD   LYS  33          1HD       LYS  33  56.749  -9.783   7.583
  241   1HE   LYS  33          2HE       LYS  33  56.500 -10.788   9.611
  242   2HE   LYS  33          1HE       LYS  33  57.369  -9.486  10.450
  243   1HZ   LYS  33          1HZ       LYS  33  55.073  -9.409  11.099
  244   2HZ   LYS  33          2HZ       LYS  33  54.561  -9.414   9.479
  245   3HZ   LYS  33          3HZ       LYS  33  55.391  -8.071  10.107
  246    H    TYR  34           H        TYR  34  60.532  -5.018   9.356
  247    HA   TYR  34           HA       TYR  34  62.571  -6.780  10.552
  248   1HB   TYR  34          2HB       TYR  34  62.474  -4.148   9.084
  249   2HB   TYR  34          1HB       TYR  34  63.957  -4.640   9.911
  250    HD1  TYR  34           HD1      TYR  34  62.551  -4.596   6.800
  251    HD2  TYR  34           HD2      TYR  34  64.305  -7.399   9.543
  252    HE1  TYR  34           HE1      TYR  34  63.121  -6.094   4.907
  253    HE2  TYR  34           HE2      TYR  34  64.874  -8.897   7.650
  254    HH   TYR  34           HH       TYR  34  64.768  -9.211   5.465
  255    H    ALA  35           H        ALA  35  60.399  -4.411  11.645
  256    HA   ALA  35           HA       ALA  35  61.682  -2.788  13.472
  257   1HB   ALA  35          1HB       ALA  35  59.165  -3.277  12.946
  258   2HB   ALA  35          2HB       ALA  35  59.593  -2.707  14.559
  259   3HB   ALA  35          3HB       ALA  35  59.282  -4.422  14.283
  260    H    GLY  36           H        GLY  36  63.380  -3.396  14.771
  261   1HA   GLY  36          2HA       GLY  36  64.018  -4.398  16.915
  262   2HA   GLY  36          1HA       GLY  36  62.968  -5.765  16.536
  263    H    GLN  37           H        GLN  37  65.328  -4.200  14.391
  264    HA   GLN  37           HA       GLN  37  66.628  -6.866  14.037
  265   1HB   GLN  37          2HB       GLN  37  65.901  -4.586  12.382
  266   2HB   GLN  37          1HB       GLN  37  67.603  -5.003  12.172
  267   1HG   GLN  37          2HG       GLN  37  65.844  -7.350  12.265
  268   2HG   GLN  37          1HG       GLN  37  65.490  -6.267  10.917
  269   1HE2  GLN  37          1HE2      GLN  37  66.821  -8.972  10.859
  270   2HE2  GLN  37          2HE2      GLN  37  68.336  -8.710  10.117
  271    H    ALA  38           H        ALA  38  68.948  -7.018  14.144
  272    HA   ALA  38           HA       ALA  38  70.193  -5.104  16.006
  273   1HB   ALA  38          1HB       ALA  38  71.432  -7.523  14.684
  274   2HB   ALA  38          2HB       ALA  38  70.295  -7.685  16.022
  275   3HB   ALA  38          3HB       ALA  38  71.818  -6.826  16.258
  276    H    GLY  39           H        GLY  39  69.610  -3.983  13.442
  277   1HA   GLY  39          2HA       GLY  39  71.300  -2.336  12.499
  278   2HA   GLY  39          1HA       GLY  39  72.348  -3.735  12.256
  279    H    ALA  40           H        ALA  40  68.858  -3.325  11.647
  280    HA   ALA  40           HA       ALA  40  68.924  -4.777   9.171
  281   1HB   ALA  40          1HB       ALA  40  66.710  -2.991   9.268
  282   2HB   ALA  40          2HB       ALA  40  67.061  -3.471  10.928
  283   3HB   ALA  40          3HB       ALA  40  66.732  -4.699   9.705
  284    H    GLU  41           H        GLU  41  69.323  -1.363   9.948
  285    HA   GLU  41           HA       GLU  41  68.946  -0.338   7.274
  286   1HB   GLU  41          2HB       GLU  41  70.063   0.547   9.897
  287   2HB   GLU  41          1HB       GLU  41  70.545   1.472   8.476
  288   1HG   GLU  41          2HG       GLU  41  68.498   2.408   8.265
  289   2HG   GLU  41          1HG       GLU  41  67.681   0.862   8.504
  290    H    ALA  42           H        ALA  42  71.706  -1.684   9.029
  291    HA   ALA  42           HA       ALA  42  73.732  -0.887   7.119
  292   1HB   ALA  42          1HB       ALA  42  75.113  -1.964   8.619
  293   2HB   ALA  42          2HB       ALA  42  74.029  -3.348   8.772
  294   3HB   ALA  42          3HB       ALA  42  73.684  -1.856   9.648
  295    H    TYR  43           H        TYR  43  72.105  -4.034   7.741
  296    HA   TYR  43           HA       TYR  43  73.223  -5.294   5.380
  297   1HB   TYR  43          2HB       TYR  43  72.556  -6.686   7.183
  298   2HB   TYR  43          1HB       TYR  43  71.012  -5.849   7.366
  299    HD1  TYR  43           HD1      TYR  43  72.876  -7.623   4.618
  300    HD2  TYR  43           HD2      TYR  43  69.152  -7.039   6.679
  301    HE1  TYR  43           HE1      TYR  43  71.798  -9.303   3.147
  302    HE2  TYR  43           HE2      TYR  43  68.073  -8.718   5.205
  303    HH   TYR  43           HH       TYR  43  68.434  -9.690   2.953
  304    H    LEU  44           H        LEU  44  70.580  -3.160   5.954
  305    HA   LEU  44           HA       LEU  44  69.013  -3.877   3.600
  306   1HB   LEU  44          2HB       LEU  44  69.135  -1.709   5.672
  307   2HB   LEU  44          1HB       LEU  44  68.256  -1.368   4.179
  308    HG   LEU  44           HG       LEU  44  67.774  -3.882   5.786
  309   1HD1  LEU  44          1HD1      LEU  44  66.746  -2.646   7.359
  310   2HD1  LEU  44          2HD1      LEU  44  65.626  -2.074   6.122
  311   3HD1  LEU  44          3HD1      LEU  44  67.095  -1.163   6.473
  312   1HD2  LEU  44          1HD2      LEU  44  67.063  -3.574   3.322
  313   2HD2  LEU  44          2HD2      LEU  44  65.904  -2.395   3.936
  314   3HD2  LEU  44          3HD2      LEU  44  65.815  -4.077   4.461
  315    H    ALA  45           H        ALA  45  71.636  -1.691   4.429
  316    HA   ALA  45           HA       ALA  45  71.677  -0.220   1.938
  317   1HB   ALA  45          1HB       ALA  45  74.188  -0.029   2.972
  318   2HB   ALA  45          2HB       ALA  45  73.306  -0.583   4.394
  319   3HB   ALA  45          3HB       ALA  45  72.823   0.905   3.583
  320    H    GLN  46           H        GLN  46  73.165  -3.221   3.117
  321    HA   GLN  46           HA       GLN  46  74.989  -3.503   0.866
  322   1HB   GLN  46          2HB       GLN  46  74.136  -4.939   3.280
  323   2HB   GLN  46          1HB       GLN  46  74.510  -6.022   1.939
  324   1HG   GLN  46          2HG       GLN  46  76.522  -4.027   1.946
  325   2HG   GLN  46          1HG       GLN  46  76.331  -4.556   3.619
  326   1HE2  GLN  46          1HE2      GLN  46  76.908  -6.746   4.151
  327   2HE2  GLN  46          2HE2      GLN  46  77.678  -7.783   3.036
  328    H    ARG  47           H        ARG  47  71.775  -4.850   1.661
  329    HA   ARG  47           HA       ARG  47  71.578  -6.318  -0.862
  330   1HB   ARG  47          2HB       ARG  47  69.531  -5.518   1.239
  331   2HB   ARG  47          1HB       ARG  47  69.276  -6.726  -0.023
  332   1HG   ARG  47          2HG       ARG  47  71.472  -6.880   2.062
  333   2HG   ARG  47          1HG       ARG  47  69.927  -7.725   2.182
  334   1HD   ARG  47          2HD       ARG  47  71.131  -8.183  -0.423
  335   2HD   ARG  47          1HD       ARG  47  72.233  -8.665   0.883
  336    HE   ARG  47           HE       ARG  47  69.435  -9.489   1.259
  337   1HH1  ARG  47          1HH1      ARG  47  72.591 -10.261   0.072
  338   2HH1  ARG  47          2HH1      ARG  47  72.337 -11.970   0.150
  339   1HH2  ARG  47          1HH2      ARG  47  69.108 -11.714   1.373
  340   2HH2  ARG  47          2HH2      ARG  47  70.372 -12.792   0.882
  341    H    ILE  48           H        ILE  48  71.032  -3.077   0.176
  342    HA   ILE  48           HA       ILE  48  69.074  -2.420  -1.917
  343    HB   ILE  48           HB       ILE  48  70.583  -1.006   0.268
  344   1HG1  ILE  48          2HG1      ILE  48  67.638  -0.957  -0.431
  345   2HG1  ILE  48          1HG1      ILE  48  68.351  -2.239   0.548
  346   1HG2  ILE  48          1HG2      ILE  48  69.210   0.259  -2.106
  347   2HG2  ILE  48          2HG2      ILE  48  70.785   0.648  -1.412
  348   3HG2  ILE  48          3HG2      ILE  48  69.309   1.092  -0.554
  349   1HD1  ILE  48          1HD1      ILE  48  67.861   0.607   1.231
  350   2HD1  ILE  48          2HD1      ILE  48  69.376  -0.079   1.814
  351   3HD1  ILE  48          3HD1      ILE  48  67.841  -0.820   2.268
  352    H    LYS  49           H        LYS  49  72.548  -2.437  -1.490
  353    HA   LYS  49           HA       LYS  49  73.059  -0.686  -3.799
  354   1HB   LYS  49          2HB       LYS  49  74.460  -1.850  -1.538
  355   2HB   LYS  49          1HB       LYS  49  75.387  -2.063  -3.024
  356   1HG   LYS  49          2HG       LYS  49  75.190   0.344  -3.507
  357   2HG   LYS  49          1HG       LYS  49  74.244   0.567  -2.035
  358   1HD   LYS  49          2HD       LYS  49  76.384   1.136  -1.302
  359   2HD   LYS  49          1HD       LYS  49  76.305  -0.572  -0.870
  360   1HE   LYS  49          2HE       LYS  49  78.367  -0.466  -1.990
  361   2HE   LYS  49          1HE       LYS  49  77.276  -0.914  -3.316
  362   1HZ   LYS  49          1HZ       LYS  49  77.441   1.106  -4.244
  363   2HZ   LYS  49          2HZ       LYS  49  78.841   1.290  -3.299
  364   3HZ   LYS  49          3HZ       LYS  49  77.358   1.916  -2.757
  365    H    ASN  50           H        ASN  50  72.896  -4.142  -3.104
  366    HA   ASN  50           HA       ASN  50  73.719  -4.712  -5.931
  367   1HB   ASN  50          2HB       ASN  50  74.339  -6.932  -5.021
  368   2HB   ASN  50          1HB       ASN  50  75.158  -5.634  -4.152
  369   1HD2  ASN  50          1HD2      ASN  50  75.332  -6.964  -2.192
  370   2HD2  ASN  50          2HD2      ASN  50  73.962  -7.283  -1.228
  371    H    GLY  51           H        GLY  51  71.034  -4.558  -3.905
  372   1HA   GLY  51          2HA       GLY  51  68.827  -5.348  -4.121
  373   2HA   GLY  51          1HA       GLY  51  69.222  -5.622  -5.816
  374    H    SER  52           H        SER  52  67.556  -7.503  -4.701
  375    HA   SER  52           HA       SER  52  68.947  -9.966  -5.111
  376   1HB   SER  52          2HB       SER  52  69.636  -8.709  -2.697
  377   2HB   SER  52          1HB       SER  52  68.549 -10.013  -2.235
  378    HG   SER  52           HG       SER  52  71.069 -10.093  -3.402
  379    H    GLN  53           H        GLN  53  67.688 -11.903  -4.450
  380    HA   GLN  53           HA       GLN  53  64.781 -11.272  -4.099
  381   1HB   GLN  53          2HB       GLN  53  64.497 -12.628  -5.888
  382   2HB   GLN  53          1HB       GLN  53  66.245 -12.714  -6.038
  383   1HG   GLN  53          2HG       GLN  53  64.539 -14.599  -4.376
  384   2HG   GLN  53          1HG       GLN  53  65.217 -14.963  -5.957
  385   1HE2  GLN  53          1HE2      GLN  53  67.804 -14.063  -5.840
  386   2HE2  GLN  53          2HE2      GLN  53  68.656 -14.818  -4.570
  387    H    GLY  54           H        GLY  54  63.670 -13.465  -3.155
  388   1HA   GLY  54          2HA       GLY  54  63.503 -14.977  -1.348
  389   2HA   GLY  54          1HA       GLY  54  65.258 -14.881  -1.168
  390    H    VAL  55           H        VAL  55  63.541 -11.917  -1.305
  391    HA   VAL  55           HA       VAL  55  64.111 -11.451   1.586
  392    HB   VAL  55           HB       VAL  55  63.659  -9.690  -0.842
  393   1HG1  VAL  55          1HG1      VAL  55  62.933  -8.940   1.652
  394   2HG1  VAL  55          2HG1      VAL  55  63.601  -7.819   0.465
  395   3HG1  VAL  55          3HG1      VAL  55  64.645  -8.522   1.699
  396   1HG2  VAL  55          1HG2      VAL  55  65.896  -9.795  -1.067
  397   2HG2  VAL  55          2HG2      VAL  55  65.931 -11.004   0.219
  398   3HG2  VAL  55          3HG2      VAL  55  66.120  -9.295   0.610
  399    H    TRP  56           H        TRP  56  61.681 -10.221  -0.740
  400    HA   TRP  56           HA       TRP  56  59.609 -10.526   1.395
  401   1HB   TRP  56          2HB       TRP  56  59.936  -8.708  -1.008
  402   2HB   TRP  56          1HB       TRP  56  58.487  -8.744  -0.006
  403    HD1  TRP  56           HD1      TRP  56  61.902  -7.297  -0.200
  404    HE1  TRP  56           HE1      TRP  56  62.432  -5.951   1.936
  405    HE3  TRP  56           HE3      TRP  56  58.010  -8.773   2.769
  406    HZ2  TRP  56           HZ2      TRP  56  61.353  -5.558   4.553
  407    HZ3  TRP  56           HZ3      TRP  56  57.790  -7.896   5.079
  408    HH2  TRP  56           HH2      TRP  56  59.454  -6.290   5.973
  409    H    GLY  57           H        GLY  57  60.255 -10.978  -2.088
  410   1HA   GLY  57          2HA       GLY  57  58.445 -13.278  -2.163
  411   2HA   GLY  57          1HA       GLY  57  57.860 -11.889  -3.080
  412    HA   PRO  58           HA       PRO  58  60.629 -14.419  -5.837
  413   1HB   PRO  58          2HB       PRO  58  58.655 -14.031  -7.887
  414   2HB   PRO  58          1HB       PRO  58  59.076 -15.532  -7.056
  415   1HG   PRO  58          2HG       PRO  58  56.663 -14.049  -6.802
  416   2HG   PRO  58          1HG       PRO  58  57.153 -15.462  -5.862
  417   1HD   PRO  58          2HD       PRO  58  57.043 -12.660  -5.026
  418   2HD   PRO  58          1HD       PRO  58  57.298 -14.113  -4.026
  419    H    ILE  59           H        ILE  59  59.693 -11.234  -5.550
  420    HA   ILE  59           HA       ILE  59  60.866 -10.428  -8.178
  421    HB   ILE  59           HB       ILE  59  59.211  -8.935  -6.122
  422   1HG1  ILE  59          2HG1      ILE  59  58.559 -10.362  -8.708
  423   2HG1  ILE  59          1HG1      ILE  59  57.794 -10.556  -7.131
  424   1HG2  ILE  59          1HG2      ILE  59  59.321  -7.068  -7.476
  425   2HG2  ILE  59          2HG2      ILE  59  59.561  -8.017  -8.944
  426   3HG2  ILE  59          3HG2      ILE  59  60.904  -7.759  -7.830
  427   1HD1  ILE  59          1HD1      ILE  59  57.579  -8.185  -9.002
  428   2HD1  ILE  59          2HD1      ILE  59  57.036  -8.136  -7.325
  429   3HD1  ILE  59          3HD1      ILE  59  56.281  -9.252  -8.464
  430    HA   PRO  60           HA       PRO  60  64.313  -9.641  -5.158
  431   1HB   PRO  60          2HB       PRO  60  65.988  -9.643  -7.497
  432   2HB   PRO  60          1HB       PRO  60  65.932 -10.844  -6.208
  433   1HG   PRO  60          2HG       PRO  60  64.941 -11.069  -8.912
  434   2HG   PRO  60          1HG       PRO  60  64.973 -12.309  -7.656
  435   1HD   PRO  60          2HD       PRO  60  62.672 -10.967  -8.680
  436   2HD   PRO  60          1HD       PRO  60  62.738 -12.071  -7.284
  437    H    MET  61           H        MET  61  65.578  -7.667  -5.019
  438    HA   MET  61           HA       MET  61  64.449  -5.418  -6.550
  439   1HB   MET  61          2HB       MET  61  64.751  -5.200  -4.178
  440   2HB   MET  61          1HB       MET  61  66.421  -5.749  -4.281
  441   1HG   MET  61          2HG       MET  61  67.074  -3.756  -5.484
  442   2HG   MET  61          1HG       MET  61  65.392  -3.234  -5.622
  443   1HE   MET  61          1HE       MET  61  68.460  -3.771  -3.228
  444   2HE   MET  61          2HE       MET  61  67.262  -4.995  -2.812
  445   3HE   MET  61          3HE       MET  61  67.654  -3.725  -1.654
  446    HA   PRO  62           HA       PRO  62  67.852  -5.552  -9.451
  447   1HB   PRO  62          2HB       PRO  62  67.352  -2.808 -10.159
  448   2HB   PRO  62          1HB       PRO  62  66.883  -4.258 -11.052
  449   1HG   PRO  62          2HG       PRO  62  65.169  -2.463  -9.651
  450   2HG   PRO  62          1HG       PRO  62  64.718  -3.972 -10.451
  451   1HD   PRO  62          2HD       PRO  62  64.910  -3.421  -7.595
  452   2HD   PRO  62          1HD       PRO  62  64.297  -4.886  -8.404
  453    HA   PRO  63           HA       PRO  63  70.894  -3.720  -6.731
  454   1HB   PRO  63          2HB       PRO  63  72.856  -3.800  -8.830
  455   2HB   PRO  63          1HB       PRO  63  72.683  -4.898  -7.459
  456   1HG   PRO  63          2HG       PRO  63  72.090  -5.420 -10.228
  457   2HG   PRO  63          1HG       PRO  63  71.966  -6.526  -8.856
  458   1HD   PRO  63          2HD       PRO  63  69.813  -5.326 -10.335
  459   2HD   PRO  63          1HD       PRO  63  69.691  -6.374  -8.900
  460    H    ASN  64           H        ASN  64  71.394  -1.563  -6.381
  461    HA   ASN  64           HA       ASN  64  71.054   0.313  -8.692
  462   1HB   ASN  64          2HB       ASN  64  70.820   0.816  -5.707
  463   2HB   ASN  64          1HB       ASN  64  70.309   1.899  -7.007
  464   1HD2  ASN  64          1HD2      ASN  64  69.619  -1.322  -5.577
  465   2HD2  ASN  64          2HD2      ASN  64  68.001  -1.381  -6.111
  466    H    ALA  65           H        ALA  65  72.458   2.280  -8.592
  467    HA   ALA  65           HA       ALA  65  75.207   1.568  -7.703
  468   1HB   ALA  65          1HB       ALA  65  75.553   3.784  -9.117
  469   2HB   ALA  65          2HB       ALA  65  73.913   3.436  -9.669
  470   3HB   ALA  65          3HB       ALA  65  75.201   2.262  -9.936
  471    H    VAL  66           H        VAL  66  73.238   2.353  -5.699
  472    HA   VAL  66           HA       VAL  66  73.665   5.152  -4.984
  473    HB   VAL  66           HB       VAL  66  72.498   4.336  -2.869
  474   1HG1  VAL  66          1HG1      VAL  66  71.154   3.468  -5.444
  475   2HG1  VAL  66          2HG1      VAL  66  71.333   5.156  -4.967
  476   3HG1  VAL  66          3HG1      VAL  66  70.377   4.057  -3.974
  477   1HG2  VAL  66          1HG2      VAL  66  73.390   1.832  -3.910
  478   2HG2  VAL  66          2HG2      VAL  66  71.627   1.828  -3.951
  479   3HG2  VAL  66          3HG2      VAL  66  72.471   2.128  -2.433
  480    H    SER  67           H        SER  67  75.753   5.724  -4.381
  481    HA   SER  67           HA       SER  67  77.840   4.177  -3.414
  482   1HB   SER  67          2HB       SER  67  76.931   6.978  -3.196
  483   2HB   SER  67          1HB       SER  67  78.057   6.490  -1.934
  484    HG   SER  67           HG       SER  67  79.593   6.361  -3.371
  485    H    ASP  68           H        ASP  68  78.449   3.378  -1.343
  486    HA   ASP  68           HA       ASP  68  76.629   2.277   0.396
  487   1HB   ASP  68          2HB       ASP  68  78.470   2.325   2.041
  488   2HB   ASP  68          1HB       ASP  68  79.097   2.002   0.425
  489    H    ASP  69           H        ASP  69  77.852   5.628   0.587
  490    HA   ASP  69           HA       ASP  69  76.556   6.348   3.030
  491   1HB   ASP  69          2HB       ASP  69  77.414   7.874   0.554
  492   2HB   ASP  69          1HB       ASP  69  76.834   8.674   2.016
  493    H    GLU  70           H        GLU  70  75.481   6.653  -0.364
  494    HA   GLU  70           HA       GLU  70  72.970   7.895   0.192
  495   1HB   GLU  70          2HB       GLU  70  73.892   6.091  -2.064
  496   2HB   GLU  70          1HB       GLU  70  72.465   7.126  -2.123
  497   1HG   GLU  70          2HG       GLU  70  75.315   8.077  -1.707
  498   2HG   GLU  70          1HG       GLU  70  74.392   8.225  -3.203
  499    H    ALA  71           H        ALA  71  73.863   4.455  -0.169
  500    HA   ALA  71           HA       ALA  71  71.185   3.427   0.100
  501   1HB   ALA  71          1HB       ALA  71  73.362   1.736   1.107
  502   2HB   ALA  71          2HB       ALA  71  73.750   2.483  -0.442
  503   3HB   ALA  71          3HB       ALA  71  72.304   1.486  -0.282
  504    H    GLN  72           H        GLN  72  73.532   4.627   2.389
  505    HA   GLN  72           HA       GLN  72  72.466   3.289   4.736
  506   1HB   GLN  72          2HB       GLN  72  74.640   4.946   4.029
  507   2HB   GLN  72          1HB       GLN  72  73.719   5.867   5.219
  508   1HG   GLN  72          2HG       GLN  72  73.991   3.035   5.927
  509   2HG   GLN  72          1HG       GLN  72  75.540   3.869   5.813
  510   1HE2  GLN  72          1HE2      GLN  72  75.488   6.162   6.961
  511   2HE2  GLN  72          2HE2      GLN  72  74.691   6.209   8.468
  512    H    THR  73           H        THR  73  72.004   6.415   3.149
  513    HA   THR  73           HA       THR  73  70.043   7.397   5.062
  514    HB   THR  73           HB       THR  73  70.266   8.297   2.203
  515    HG1  THR  73           HG1      THR  73  72.313   8.608   2.407
  516   1HG2  THR  73          1HG2      THR  73  70.277  10.537   3.429
  517   2HG2  THR  73          2HG2      THR  73  69.948   9.624   4.901
  518   3HG2  THR  73          3HG2      THR  73  68.794   9.591   3.566
  519    H    LEU  74           H        LEU  74  70.041   5.378   2.216
  520    HA   LEU  74           HA       LEU  74  67.214   5.622   1.588
  521   1HB   LEU  74          2HB       LEU  74  69.438   3.672   0.941
  522   2HB   LEU  74          1HB       LEU  74  67.800   3.428   0.349
  523    HG   LEU  74           HG       LEU  74  69.452   5.923  -0.115
  524   1HD1  LEU  74          1HD1      LEU  74  69.654   3.438  -1.369
  525   2HD1  LEU  74          2HD1      LEU  74  70.221   4.977  -2.016
  526   3HD1  LEU  74          3HD1      LEU  74  68.619   4.378  -2.444
  527   1HD2  LEU  74          1HD2      LEU  74  67.229   5.595  -1.888
  528   2HD2  LEU  74          2HD2      LEU  74  67.511   6.885  -0.721
  529   3HD2  LEU  74          3HD2      LEU  74  66.646   5.427  -0.232
  530    H    ALA  75           H        ALA  75  69.185   3.433   3.580
  531    HA   ALA  75           HA       ALA  75  67.006   1.637   4.252
  532   1HB   ALA  75          1HB       ALA  75  69.159   1.848   6.206
  533   2HB   ALA  75          2HB       ALA  75  69.794   1.815   4.561
  534   3HB   ALA  75          3HB       ALA  75  68.764   0.504   5.134
  535    H    LYS  76           H        LYS  76  68.641   4.303   5.998
  536    HA   LYS  76           HA       LYS  76  66.908   4.285   8.285
  537   1HB   LYS  76          2HB       LYS  76  68.509   6.503   6.958
  538   2HB   LYS  76          1HB       LYS  76  67.893   6.547   8.612
  539   1HG   LYS  76          2HG       LYS  76  69.200   4.161   8.637
  540   2HG   LYS  76          1HG       LYS  76  70.199   5.061   7.495
  541   1HD   LYS  76          2HD       LYS  76  70.855   6.612   9.075
  542   2HD   LYS  76          1HD       LYS  76  69.372   6.441  10.012
  543   1HE   LYS  76          2HE       LYS  76  70.361   4.923  11.371
  544   2HE   LYS  76          1HE       LYS  76  70.824   3.928   9.976
  545   1HZ   LYS  76          1HZ       LYS  76  72.608   5.603   9.547
  546   2HZ   LYS  76          2HZ       LYS  76  72.825   4.697  10.968
  547   3HZ   LYS  76          3HZ       LYS  76  72.254   6.295  11.055
  548    H    TRP  77           H        TRP  77  66.619   5.559   5.046
  549    HA   TRP  77           HA       TRP  77  64.493   7.452   5.547
  550   1HB   TRP  77          2HB       TRP  77  65.864   7.600   3.568
  551   2HB   TRP  77          1HB       TRP  77  65.469   5.939   3.113
  552    HD1  TRP  77           HD1      TRP  77  63.246   8.966   4.095
  553    HE1  TRP  77           HE1      TRP  77  61.394   9.195   2.310
  554    HE3  TRP  77           HE3      TRP  77  64.571   5.169   0.984
  555    HZ2  TRP  77           HZ2      TRP  77  60.588   7.924  -0.124
  556    HZ3  TRP  77           HZ3      TRP  77  63.252   4.689  -1.066
  557    HH2  TRP  77           HH2      TRP  77  61.263   6.064  -1.621
  558    H    ILE  78           H        ILE  78  64.498   4.125   4.204
  559    HA   ILE  78           HA       ILE  78  61.703   3.776   3.950
  560    HB   ILE  78           HB       ILE  78  63.963   1.883   4.680
  561   1HG1  ILE  78          2HG1      ILE  78  62.722   1.635   2.045
  562   2HG1  ILE  78          1HG1      ILE  78  63.387   3.249   2.309
  563   1HG2  ILE  78          1HG2      ILE  78  61.187   1.185   3.677
  564   2HG2  ILE  78          2HG2      ILE  78  61.725   0.990   5.346
  565   3HG2  ILE  78          3HG2      ILE  78  62.484   0.052   4.060
  566   1HD1  ILE  78          1HD1      ILE  78  64.784   0.622   2.152
  567   2HD1  ILE  78          2HD1      ILE  78  65.419   1.800   3.301
  568   3HD1  ILE  78          3HD1      ILE  78  65.308   2.209   1.589
  569    H    LEU  79           H        LEU  79  63.795   2.983   6.754
  570    HA   LEU  79           HA       LEU  79  61.584   2.210   8.460
  571   1HB   LEU  79          2HB       LEU  79  64.516   2.706   8.633
  572   2HB   LEU  79          1HB       LEU  79  63.617   2.794  10.149
  573    HG   LEU  79           HG       LEU  79  62.806   0.509   8.521
  574   1HD1  LEU  79          1HD1      LEU  79  64.806  -0.335   7.934
  575   2HD1  LEU  79          2HD1      LEU  79  65.326  -0.282   9.618
  576   3HD1  LEU  79          3HD1      LEU  79  65.600   1.107   8.569
  577   1HD2  LEU  79          1HD2      LEU  79  62.375   0.983  10.989
  578   2HD2  LEU  79          2HD2      LEU  79  64.075   0.605  11.273
  579   3HD2  LEU  79          3HD2      LEU  79  62.993  -0.631  10.630
  580    H    SER  80           H        SER  80  62.909   5.245   7.484
  581    HA   SER  80           HA       SER  80  61.825   6.700   9.832
  582   1HB   SER  80          2HB       SER  80  63.964   7.424   9.058
  583   2HB   SER  80          1HB       SER  80  63.449   7.388   7.374
  584    HG   SER  80           HG       SER  80  63.317   9.489   7.939
  585    H    GLN  81           H        GLN  81  60.749   5.606   6.808
  586    HA   GLN  81           HA       GLN  81  59.230   7.538   5.583
  587   1HB   GLN  81          2HB       GLN  81  58.385   4.737   6.404
  588   2HB   GLN  81          1HB       GLN  81  57.627   5.681   5.121
  589   1HG   GLN  81          2HG       GLN  81  60.585   5.310   5.017
  590   2HG   GLN  81          1HG       GLN  81  59.570   3.941   4.591
  591   1HE2  GLN  81          1HE2      GLN  81  60.541   7.193   3.639
  592   2HE2  GLN  81          2HE2      GLN  81  59.789   7.166   2.109
  593    H    LYS  82           H        LYS  82  58.448   9.190   6.983
  594    HA   LYS  82           HA       LYS  82  56.947  10.215   8.496
  595   1HB   LYS  82          2HB       LYS  82  55.483   7.772   7.472
  596   2HB   LYS  82          1HB       LYS  82  54.701   8.962   8.512
  597   1HG   LYS  82          2HG       LYS  82  56.135   9.749   5.970
  598   2HG   LYS  82          1HG       LYS  82  54.426   9.313   5.989
  599   1HD   LYS  82          2HD       LYS  82  55.627  11.458   7.759
  600   2HD   LYS  82          1HD       LYS  82  54.856  11.789   6.207
  601   1HE   LYS  82          2HE       LYS  82  52.775  10.656   7.068
  602   2HE   LYS  82          1HE       LYS  82  53.555  10.558   8.659
  603   1HZ   LYS  82          1HZ       LYS  82  52.814  12.964   7.115
  604   2HZ   LYS  82          2HZ       LYS  82  54.045  13.033   8.282
  605   3HZ   LYS  82          3HZ       LYS  82  52.467  12.595   8.734
  606    HHA  HEM  83           HHA      HEM  83  63.020  -5.178  -1.239
  607    HHB  HEM  83           HHB      HEM  83  65.476   0.646  -0.168
  608    HHC  HEM  83           HHC      HEM  83  64.945   1.814  -6.357
  609    HHD  HEM  83           HHD      HEM  83  61.805  -3.576  -7.183
  610   1HMA  HEM  83          1HMA      HEM  83  66.089  -0.680   1.469
  611   2HMA  HEM  83          2HMA      HEM  83  66.239  -2.350   2.012
  612   3HMA  HEM  83          3HMA      HEM  83  64.766  -1.442   2.346
  613   1HAA  HEM  83          1HAA      HEM  83  64.005  -5.080   1.118
  614   2HAA  HEM  83          2HAA      HEM  83  65.614  -4.460   1.485
  615   1HBA  HEM  83          1HBA      HEM  83  66.014  -5.081  -1.094
  616   2HBA  HEM  83          2HBA      HEM  83  64.722  -6.231  -0.752
  617    H2A  HEM  83          3HBB      HEM  83  67.886   2.173  -5.247
  618   1HMB  HEM  83          1HMB      HEM  83  66.470   2.452  -0.522
  619   2HMB  HEM  83          2HMB      HEM  83  65.309   3.645  -1.104
  620   3HMB  HEM  83          3HMB      HEM  83  66.941   3.598  -1.776
  621    HAB  HEM  83           HAB      HEM  83  65.714   3.310  -5.619
  622   1HBB  HEM  83          1HBB      HEM  83  68.197   3.275  -3.905
  623   2HBB  HEM  83          2HBB      HEM  83  68.055   3.902  -5.548
  624   1HMC  HEM  83          1HMC      HEM  83  64.526   0.340  -9.628
  625   2HMC  HEM  83          2HMC      HEM  83  64.787   1.582  -8.402
  626   3HMC  HEM  83          3HMC      HEM  83  63.194   1.383  -9.133
  627    HAC  HEM  83           HAC      HEM  83  61.653  -2.649  -8.795
  628   1HBC  HEM  83          1HBC      HEM  83  63.842  -1.301 -10.239
  629   2HBC  HEM  83          2HBC      HEM  83  62.356  -1.522 -11.163
  630   1HMD  HEM  83          1HMD      HEM  83  61.810  -6.337  -6.715
  631   2HMD  HEM  83          2HMD      HEM  83  60.355  -5.352  -6.552
  632   3HMD  HEM  83          3HMD      HEM  83  60.580  -6.772  -5.529
  633   1HAD  HEM  83          1HAD      HEM  83  60.888  -7.234  -3.605
  634   2HAD  HEM  83          2HAD      HEM  83  61.230  -6.515  -2.034
  635   1HBD  HEM  83          1HBD      HEM  83  63.336  -7.442  -1.917
  636   2HBD  HEM  83          2HBD      HEM  83  63.560  -7.416  -3.666
  637    H2D  HEM  83          3HBC      HEM  83  63.169  -2.917 -10.453
  Start of MODEL   14
    1   1H    GLU   1          1H        GLU   1  68.239  17.910   1.755
    2   2H    GLU   1          2H        GLU   1  68.724  18.625   0.293
    3   3H    GLU   1          3H        GLU   1  69.859  18.362   1.529
    4    HA   GLU   1           HA       GLU   1  68.838  16.517  -0.464
    5   1HB   GLU   1          2HB       GLU   1  71.193  17.588   0.123
    6   2HB   GLU   1          1HB       GLU   1  71.274  16.249   1.268
    7   1HG   GLU   1          2HG       GLU   1  72.244  15.357  -0.688
    8   2HG   GLU   1          1HG       GLU   1  70.584  14.764  -0.744
    9    H    ASP   2           H        ASP   2  67.003  16.315   1.550
   10    HA   ASP   2           HA       ASP   2  67.648  14.555   3.718
   11   1HB   ASP   2          2HB       ASP   2  65.366  15.833   2.475
   12   2HB   ASP   2          1HB       ASP   2  64.959  14.179   2.933
   13    HA   PRO   3           HA       PRO   3  67.788  10.504   2.038
   14   1HB   PRO   3          2HB       PRO   3  65.566   9.408   3.501
   15   2HB   PRO   3          1HB       PRO   3  67.288   9.260   3.866
   16   1HG   PRO   3          2HG       PRO   3  65.323  10.813   5.265
   17   2HG   PRO   3          1HG       PRO   3  67.045  10.665   5.622
   18   1HD   PRO   3          2HD       PRO   3  65.659  12.946   4.528
   19   2HD   PRO   3          1HD       PRO   3  67.399  12.789   4.875
   20    H    GLU   4           H        GLU   4  64.464  11.739   2.348
   21    HA   GLU   4           HA       GLU   4  63.174  10.085   0.441
   22   1HB   GLU   4          2HB       GLU   4  62.108  11.683   2.025
   23   2HB   GLU   4          1HB       GLU   4  62.751  13.026   1.080
   24   1HG   GLU   4          2HG       GLU   4  61.299  12.665  -0.684
   25   2HG   GLU   4          1HG       GLU   4  61.154  10.939  -0.349
   26    H    VAL   5           H        VAL   5  64.779  13.255  -0.025
   27    HA   VAL   5           HA       VAL   5  64.383  13.620  -2.770
   28    HB   VAL   5           HB       VAL   5  66.799  14.134  -1.007
   29   1HG1  VAL   5          1HG1      VAL   5  67.143  16.001  -2.789
   30   2HG1  VAL   5          2HG1      VAL   5  66.134  14.986  -3.821
   31   3HG1  VAL   5          3HG1      VAL   5  67.658  14.362  -3.188
   32   1HG2  VAL   5          1HG2      VAL   5  65.000  16.311  -1.904
   33   2HG2  VAL   5          2HG2      VAL   5  65.731  16.035  -0.322
   34   3HG2  VAL   5          3HG2      VAL   5  64.279  15.149  -0.790
   35    H    LEU   6           H        LEU   6  66.646  11.471  -1.113
   36    HA   LEU   6           HA       LEU   6  68.123  10.677  -3.477
   37   1HB   LEU   6          2HB       LEU   6  67.663   9.242  -0.839
   38   2HB   LEU   6          1HB       LEU   6  68.994   8.959  -1.961
   39    HG   LEU   6           HG       LEU   6  68.449  11.492  -0.391
   40   1HD1  LEU   6          1HD1      LEU   6  69.954  10.683   1.081
   41   2HD1  LEU   6          2HD1      LEU   6  71.100  10.331  -0.212
   42   3HD1  LEU   6          3HD1      LEU   6  69.873   9.142   0.226
   43   1HD2  LEU   6          1HD2      LEU   6  69.451  12.524  -2.148
   44   2HD2  LEU   6          2HD2      LEU   6  69.955  10.993  -2.865
   45   3HD2  LEU   6          3HD2      LEU   6  70.929  11.735  -1.596
   46    H    ALA   7           H        ALA   7  65.308   9.417  -1.738
   47    HA   ALA   7           HA       ALA   7  64.973   6.955  -3.098
   48   1HB   ALA   7          1HB       ALA   7  62.521   7.411  -2.444
   49   2HB   ALA   7          2HB       ALA   7  63.107   8.946  -1.804
   50   3HB   ALA   7          3HB       ALA   7  63.707   7.427  -1.139
   51    H    LYS   8           H        LYS   8  64.268  10.248  -4.095
   52    HA   LYS   8           HA       LYS   8  62.667   9.350  -6.417
   53   1HB   LYS   8          2HB       LYS   8  63.373  11.878  -5.011
   54   2HB   LYS   8          1HB       LYS   8  63.009  12.013  -6.732
   55   1HG   LYS   8          2HG       LYS   8  60.872  10.817  -6.368
   56   2HG   LYS   8          1HG       LYS   8  61.232  10.716  -4.644
   57   1HD   LYS   8          2HD       LYS   8  61.524  13.334  -4.869
   58   2HD   LYS   8          1HD       LYS   8  60.499  13.114  -6.288
   59   1HE   LYS   8          2HE       LYS   8  58.773  12.030  -4.920
   60   2HE   LYS   8          1HE       LYS   8  59.809  12.157  -3.485
   61   1HZ   LYS   8          1HZ       LYS   8  58.955  14.462  -5.154
   62   2HZ   LYS   8          2HZ       LYS   8  59.847  14.531  -3.710
   63   3HZ   LYS   8          3HZ       LYS   8  58.226  14.025  -3.687
   64    H    ASN   9           H        ASN   9  65.769  11.049  -5.849
   65    HA   ASN   9           HA       ASN   9  66.529  11.270  -8.597
   66   1HB   ASN   9          2HB       ASN   9  68.375  10.951  -6.220
   67   2HB   ASN   9          1HB       ASN   9  68.642  11.908  -7.678
   68   1HD2  ASN   9          1HD2      ASN   9  65.633  12.731  -7.457
   69   2HD2  ASN   9          2HD2      ASN   9  65.655  13.964  -6.282
   70    H    LYS  10           H        LYS  10  66.477   8.507  -6.500
   71    HA   LYS  10           HA       LYS  10  68.403   7.056  -8.267
   72   1HB   LYS  10          2HB       LYS  10  67.167   6.330  -5.589
   73   2HB   LYS  10          1HB       LYS  10  68.467   5.452  -6.403
   74   1HG   LYS  10          2HG       LYS  10  68.598   8.325  -5.433
   75   2HG   LYS  10          1HG       LYS  10  69.397   6.942  -4.684
   76   1HD   LYS  10          2HD       LYS  10  70.730   6.578  -6.705
   77   2HD   LYS  10          1HD       LYS  10  69.895   7.901  -7.519
   78   1HE   LYS  10          2HE       LYS  10  70.707   9.302  -5.422
   79   2HE   LYS  10          1HE       LYS  10  71.935   8.025  -5.320
   80   1HZ   LYS  10          1HZ       LYS  10  72.469   9.963  -6.836
   81   2HZ   LYS  10          2HZ       LYS  10  71.259   9.370  -7.871
   82   3HZ   LYS  10          3HZ       LYS  10  72.619   8.416  -7.516
   83    H    GLY  11           H        GLY  11  65.027   7.199  -7.324
   84   1HA   GLY  11          2HA       GLY  11  63.327   6.295  -8.837
   85   2HA   GLY  11          1HA       GLY  11  64.471   5.036  -9.301
   86    H    CYS  12           H        CYS  12  64.436   5.714  -5.952
   87    HA   CYS  12           HA       CYS  12  63.577   3.064  -5.241
   88   1HB   CYS  12          2HB       CYS  12  63.570   5.549  -3.513
   89   2HB   CYS  12          1HB       CYS  12  63.836   3.885  -2.997
   90    H    MET  13           H        MET  13  61.907   6.185  -5.424
   91    HA   MET  13           HA       MET  13  59.448   5.204  -4.190
   92   1HB   MET  13          2HB       MET  13  60.491   7.688  -5.496
   93   2HB   MET  13          1HB       MET  13  58.742   7.515  -5.319
   94   1HG   MET  13          2HG       MET  13  60.768   7.289  -3.073
   95   2HG   MET  13          1HG       MET  13  59.719   8.675  -3.369
   96   1HE   MET  13          1HE       MET  13  56.177   7.252  -2.954
   97   2HE   MET  13          2HE       MET  13  57.200   7.751  -4.299
   98   3HE   MET  13          3HE       MET  13  57.122   8.743  -2.845
   99    H    ALA  14           H        ALA  14  60.757   4.400  -7.088
  100    HA   ALA  14           HA       ALA  14  58.349   4.739  -8.750
  101   1HB   ALA  14          1HB       ALA  14  61.190   4.134  -9.051
  102   2HB   ALA  14          2HB       ALA  14  60.074   4.852 -10.213
  103   3HB   ALA  14          3HB       ALA  14  60.179   3.098 -10.060
  104    H    CYS  15           H        CYS  15  60.105   2.128  -7.111
  105    HA   CYS  15           HA       CYS  15  58.002   0.182  -7.964
  106   1HB   CYS  15          2HB       CYS  15  60.809  -0.004  -6.851
  107   2HB   CYS  15          1HB       CYS  15  59.759  -1.414  -6.985
  108    H    HIS  16           H        HIS  16  59.126   1.998  -5.228
  109    HA   HIS  16           HA       HIS  16  57.766   0.129  -3.340
  110   1HB   HIS  16          2HB       HIS  16  59.913   2.201  -3.227
  111   2HB   HIS  16          1HB       HIS  16  58.980   1.893  -1.759
  112    HD1  HIS  16           HD1      HIS  16  58.640  -0.962  -1.493
  113    HD2  HIS  16           HD2      HIS  16  62.118   0.551  -3.233
  114    HE1  HIS  16           HE1      HIS  16  60.388  -2.785  -1.302
  115    H    ALA  17           H        ALA  17  56.551   1.157  -1.555
  116    HA   ALA  17           HA       ALA  17  55.290   3.781  -2.141
  117   1HB   ALA  17          1HB       ALA  17  53.517   2.685  -3.058
  118   2HB   ALA  17          2HB       ALA  17  53.168   2.109  -1.429
  119   3HB   ALA  17          3HB       ALA  17  54.130   1.119  -2.526
  120    H    ILE  18           H        ILE  18  55.441   4.844  -0.205
  121    HA   ILE  18           HA       ILE  18  56.359   4.038   2.227
  122    HB   ILE  18           HB       ILE  18  54.122   5.924   1.473
  123   1HG1  ILE  18          2HG1      ILE  18  56.784   6.674   2.636
  124   2HG1  ILE  18          1HG1      ILE  18  56.710   6.154   0.951
  125   1HG2  ILE  18          1HG2      ILE  18  53.513   6.030   3.643
  126   2HG2  ILE  18          2HG2      ILE  18  55.110   6.701   3.978
  127   3HG2  ILE  18          3HG2      ILE  18  54.833   4.965   4.126
  128   1HD1  ILE  18          1HD1      ILE  18  54.790   8.229   1.982
  129   2HD1  ILE  18          2HD1      ILE  18  55.322   7.938   0.326
  130   3HD1  ILE  18          3HD1      ILE  18  56.418   8.689   1.485
  131    H    ASP  19           H        ASP  19  53.162   3.298   0.950
  132    HA   ASP  19           HA       ASP  19  52.793   1.335   3.149
  133   1HB   ASP  19          2HB       ASP  19  50.687   2.314   3.839
  134   2HB   ASP  19          1HB       ASP  19  51.898   3.597   3.850
  135    H    THR  20           H        THR  20  51.574   2.778   0.146
  136    HA   THR  20           HA       THR  20  49.674   0.685  -0.451
  137    HB   THR  20           HB       THR  20  49.899   1.763  -2.764
  138    HG1  THR  20           HG1      THR  20  51.381   3.254  -3.036
  139   1HG2  THR  20          1HG2      THR  20  49.567   3.870  -0.651
  140   2HG2  THR  20          2HG2      THR  20  48.439   2.515  -0.716
  141   3HG2  THR  20          3HG2      THR  20  48.605   3.592  -2.104
  142    H    LYS  21           H        LYS  21  49.957  -0.863  -2.298
  143    HA   LYS  21           HA       LYS  21  52.715  -1.984  -2.292
  144   1HB   LYS  21          2HB       LYS  21  49.986  -3.124  -2.958
  145   2HB   LYS  21          1HB       LYS  21  51.491  -4.042  -3.036
  146   1HG   LYS  21          2HG       LYS  21  51.864  -3.359  -0.597
  147   2HG   LYS  21          1HG       LYS  21  50.182  -2.825  -0.597
  148   1HD   LYS  21          2HD       LYS  21  49.814  -5.259  -1.651
  149   2HD   LYS  21          1HD       LYS  21  51.293  -5.591  -0.747
  150   1HE   LYS  21          2HE       LYS  21  50.286  -4.992   1.331
  151   2HE   LYS  21          1HE       LYS  21  48.906  -4.221   0.523
  152   1HZ   LYS  21          1HZ       LYS  21  49.546  -7.084   0.768
  153   2HZ   LYS  21          2HZ       LYS  21  48.660  -6.541  -0.576
  154   3HZ   LYS  21          3HZ       LYS  21  48.060  -6.297   0.995
  155    H    MET  22           H        MET  22  53.906  -1.878  -4.147
  156    HA   MET  22           HA       MET  22  52.475  -1.394  -6.740
  157   1HB   MET  22          2HB       MET  22  54.762  -0.033  -5.374
  158   2HB   MET  22          1HB       MET  22  54.826  -0.164  -7.135
  159   1HG   MET  22          2HG       MET  22  52.308   0.675  -6.938
  160   2HG   MET  22          1HG       MET  22  52.896   1.339  -5.412
  161   1HE   MET  22          1HE       MET  22  54.539   4.197  -5.853
  162   2HE   MET  22          2HE       MET  22  55.846   3.021  -5.958
  163   3HE   MET  22          3HE       MET  22  54.434   2.672  -4.964
  164    H    VAL  23           H        VAL  23  55.938  -1.690  -6.309
  165    HA   VAL  23           HA       VAL  23  55.864  -4.271  -7.799
  166    HB   VAL  23           HB       VAL  23  57.979  -2.120  -7.488
  167   1HG1  VAL  23          1HG1      VAL  23  59.466  -3.638  -8.230
  168   2HG1  VAL  23          2HG1      VAL  23  58.486  -3.871  -9.678
  169   3HG1  VAL  23          3HG1      VAL  23  58.209  -4.875  -8.255
  170   1HG2  VAL  23          1HG2      VAL  23  57.493  -1.956 -10.021
  171   2HG2  VAL  23          2HG2      VAL  23  56.284  -1.289  -8.923
  172   3HG2  VAL  23          3HG2      VAL  23  56.026  -2.867  -9.666
  173    H    GLY  24           H        GLY  24  57.168  -2.607  -4.982
  174   1HA   GLY  24          2HA       GLY  24  58.136  -5.246  -3.954
  175   2HA   GLY  24          1HA       GLY  24  58.995  -3.734  -3.624
  176    HA   PRO  25           HA       PRO  25  55.715  -4.710  -0.342
  177   1HB   PRO  25          2HB       PRO  25  57.832  -4.666   1.606
  178   2HB   PRO  25          1HB       PRO  25  56.818  -6.033   1.134
  179   1HG   PRO  25          2HG       PRO  25  59.589  -5.648   0.561
  180   2HG   PRO  25          1HG       PRO  25  58.552  -6.973   0.024
  181   1HD   PRO  25          2HD       PRO  25  59.615  -4.769  -1.543
  182   2HD   PRO  25          1HD       PRO  25  58.664  -6.166  -2.106
  183    H    ALA  26           H        ALA  26  54.771  -2.841   0.439
  184    HA   ALA  26           HA       ALA  26  55.582  -0.241   0.139
  185   1HB   ALA  26          1HB       ALA  26  54.179  -1.522   2.507
  186   2HB   ALA  26          2HB       ALA  26  53.418  -0.921   1.034
  187   3HB   ALA  26          3HB       ALA  26  54.162   0.208   2.165
  188    H    TYR  27           H        TYR  27  56.843   1.277   1.364
  189    HA   TYR  27           HA       TYR  27  59.209   0.259   2.614
  190   1HB   TYR  27          2HB       TYR  27  57.840   2.911   2.291
  191   2HB   TYR  27          1HB       TYR  27  59.258   2.799   3.326
  192    HD1  TYR  27           HD1      TYR  27  58.739   4.209   0.510
  193    HD2  TYR  27           HD2      TYR  27  60.734   0.609   1.754
  194    HE1  TYR  27           HE1      TYR  27  60.199   4.323  -1.489
  195    HE2  TYR  27           HE2      TYR  27  62.185   0.724  -0.246
  196    HH   TYR  27           HH       TYR  27  61.800   3.327  -2.653
  197    H    LYS  28           H        LYS  28  56.535   2.143   4.116
  198    HA   LYS  28           HA       LYS  28  57.279   1.919   6.792
  199   1HB   LYS  28          2HB       LYS  28  55.271   3.051   5.569
  200   2HB   LYS  28          1HB       LYS  28  54.434   1.528   5.872
  201   1HG   LYS  28          2HG       LYS  28  55.864   2.585   8.213
  202   2HG   LYS  28          1HG       LYS  28  54.564   3.631   7.640
  203   1HD   LYS  28          2HD       LYS  28  53.435   1.106   7.498
  204   2HD   LYS  28          1HD       LYS  28  54.403   1.025   8.971
  205   1HE   LYS  28          2HE       LYS  28  53.322   3.100   9.795
  206   2HE   LYS  28          1HE       LYS  28  52.328   3.153   8.324
  207   1HZ   LYS  28          1HZ       LYS  28  51.225   1.990  10.196
  208   2HZ   LYS  28          2HZ       LYS  28  52.465   0.828  10.172
  209   3HZ   LYS  28          3HZ       LYS  28  51.435   1.005   8.832
  210    H    ASP  29           H        ASP  29  55.346  -0.404   4.898
  211    HA   ASP  29           HA       ASP  29  54.875  -2.341   6.897
  212   1HB   ASP  29          2HB       ASP  29  55.353  -2.447   3.912
  213   2HB   ASP  29          1HB       ASP  29  54.929  -3.894   4.828
  214    H    VAL  30           H        VAL  30  57.728  -1.891   4.808
  215    HA   VAL  30           HA       VAL  30  59.190  -4.212   5.540
  216    HB   VAL  30           HB       VAL  30  60.131  -1.405   4.868
  217   1HG1  VAL  30          1HG1      VAL  30  61.774  -3.214   5.816
  218   2HG1  VAL  30          2HG1      VAL  30  62.228  -2.317   4.367
  219   3HG1  VAL  30          3HG1      VAL  30  61.590  -3.955   4.225
  220   1HG2  VAL  30          1HG2      VAL  30  58.656  -3.328   3.359
  221   2HG2  VAL  30          2HG2      VAL  30  60.290  -3.268   2.697
  222   3HG2  VAL  30          3HG2      VAL  30  59.326  -1.795   2.801
  223    H    ALA  31           H        ALA  31  59.004  -1.016   7.084
  224    HA   ALA  31           HA       ALA  31  60.957  -1.665   9.153
  225   1HB   ALA  31          1HB       ALA  31  59.941   0.603   8.082
  226   2HB   ALA  31          2HB       ALA  31  60.684   0.558   9.681
  227   3HB   ALA  31          3HB       ALA  31  58.930   0.481   9.521
  228    H    ALA  32           H        ALA  32  57.552  -2.173   8.699
  229    HA   ALA  32           HA       ALA  32  56.878  -2.394  11.528
  230   1HB   ALA  32          1HB       ALA  32  55.554  -2.102   9.105
  231   2HB   ALA  32          2HB       ALA  32  54.777  -2.418  10.657
  232   3HB   ALA  32          3HB       ALA  32  55.163  -3.756   9.575
  233    H    LYS  33           H        LYS  33  57.992  -4.562   8.996
  234    HA   LYS  33           HA       LYS  33  57.453  -6.969  10.615
  235   1HB   LYS  33          2HB       LYS  33  57.067  -7.228   8.294
  236   2HB   LYS  33          1HB       LYS  33  58.539  -6.351   7.864
  237   1HG   LYS  33          2HG       LYS  33  58.654  -8.879   7.587
  238   2HG   LYS  33          1HG       LYS  33  59.932  -8.168   8.572
  239   1HD   LYS  33          2HD       LYS  33  59.291  -9.356  10.374
  240   2HD   LYS  33          1HD       LYS  33  57.625  -8.798  10.207
  241   1HE   LYS  33          2HE       LYS  33  56.978 -10.770   9.288
  242   2HE   LYS  33          1HE       LYS  33  58.335 -10.750   8.143
  243   1HZ   LYS  33          1HZ       LYS  33  58.753 -11.291  11.020
  244   2HZ   LYS  33          2HZ       LYS  33  59.780 -11.649   9.714
  245   3HZ   LYS  33          3HZ       LYS  33  58.354 -12.542   9.947
  246    H    TYR  34           H        TYR  34  60.237  -5.073   9.444
  247    HA   TYR  34           HA       TYR  34  62.214  -6.820  10.698
  248   1HB   TYR  34          2HB       TYR  34  62.118  -4.206   9.236
  249   2HB   TYR  34          1HB       TYR  34  63.566  -4.569  10.184
  250    HD1  TYR  34           HD1      TYR  34  62.384  -4.712   6.982
  251    HD2  TYR  34           HD2      TYR  34  64.137  -7.301   9.927
  252    HE1  TYR  34           HE1      TYR  34  63.199  -6.209   5.180
  253    HE2  TYR  34           HE2      TYR  34  64.951  -8.799   8.126
  254    HH   TYR  34           HH       TYR  34  63.915  -8.460   4.846
  255    H    ALA  35           H        ALA  35  60.084  -4.408  11.834
  256    HA   ALA  35           HA       ALA  35  61.408  -2.921  13.756
  257   1HB   ALA  35          1HB       ALA  35  58.759  -3.960  13.260
  258   2HB   ALA  35          2HB       ALA  35  59.217  -2.470  14.083
  259   3HB   ALA  35          3HB       ALA  35  59.081  -3.974  14.993
  260    H    GLY  36           H        GLY  36  63.128  -3.829  14.897
  261   1HA   GLY  36          2HA       GLY  36  63.291  -4.962  17.213
  262   2HA   GLY  36          1HA       GLY  36  62.585  -6.356  16.395
  263    H    GLN  37           H        GLN  37  64.952  -4.188  14.919
  264    HA   GLN  37           HA       GLN  37  66.973  -6.400  15.074
  265   1HB   GLN  37          2HB       GLN  37  65.886  -4.803  12.767
  266   2HB   GLN  37          1HB       GLN  37  67.533  -5.432  12.686
  267   1HG   GLN  37          2HG       GLN  37  65.687  -7.456  13.661
  268   2HG   GLN  37          1HG       GLN  37  65.185  -6.840  12.086
  269   1HE2  GLN  37          1HE2      GLN  37  65.850  -9.049  11.256
  270   2HE2  GLN  37          2HE2      GLN  37  67.499  -9.332  10.924
  271    H    ALA  38           H        ALA  38  68.908  -5.678  15.877
  272    HA   ALA  38           HA       ALA  38  69.306  -2.809  16.374
  273   1HB   ALA  38          1HB       ALA  38  70.543  -5.424  17.131
  274   2HB   ALA  38          2HB       ALA  38  70.024  -4.092  18.164
  275   3HB   ALA  38          3HB       ALA  38  71.541  -3.976  17.273
  276    H    GLY  39           H        GLY  39  69.264  -2.966  13.683
  277   1HA   GLY  39          2HA       GLY  39  71.339  -1.740  12.559
  278   2HA   GLY  39          1HA       GLY  39  72.040  -3.353  12.709
  279    H    ALA  40           H        ALA  40  68.706  -2.391  11.883
  280    HA   ALA  40           HA       ALA  40  68.586  -4.329   9.723
  281   1HB   ALA  40          1HB       ALA  40  66.511  -2.401   9.531
  282   2HB   ALA  40          2HB       ALA  40  66.863  -2.594  11.250
  283   3HB   ALA  40          3HB       ALA  40  66.421  -3.997  10.277
  284    H    GLU  41           H        GLU  41  68.575  -0.757   9.797
  285    HA   GLU  41           HA       GLU  41  68.488  -0.189   7.066
  286   1HB   GLU  41          2HB       GLU  41  69.730   1.862   7.715
  287   2HB   GLU  41          1HB       GLU  41  68.496   1.455   8.909
  288   1HG   GLU  41          2HG       GLU  41  70.428   0.119  10.066
  289   2HG   GLU  41          1HG       GLU  41  71.481   1.155   9.104
  290    H    ALA  42           H        ALA  42  71.289  -1.300   8.963
  291    HA   ALA  42           HA       ALA  42  73.346  -0.873   7.062
  292   1HB   ALA  42          1HB       ALA  42  73.674  -3.377   8.443
  293   2HB   ALA  42          2HB       ALA  42  72.904  -2.222   9.530
  294   3HB   ALA  42          3HB       ALA  42  74.453  -1.832   8.782
  295    H    TYR  43           H        TYR  43  71.414  -3.858   7.578
  296    HA   TYR  43           HA       TYR  43  72.423  -5.241   5.276
  297   1HB   TYR  43          2HB       TYR  43  71.336  -6.511   6.948
  298   2HB   TYR  43          1HB       TYR  43  69.985  -5.379   7.053
  299    HD1  TYR  43           HD1      TYR  43  71.399  -8.244   5.264
  300    HD2  TYR  43           HD2      TYR  43  68.234  -5.341   5.310
  301    HE1  TYR  43           HE1      TYR  43  70.113  -9.620   3.651
  302    HE2  TYR  43           HE2      TYR  43  66.949  -6.716   3.697
  303    HH   TYR  43           HH       TYR  43  67.532  -9.863   3.093
  304    H    LEU  44           H        LEU  44  69.675  -3.049   5.735
  305    HA   LEU  44           HA       LEU  44  68.474  -3.336   3.165
  306   1HB   LEU  44          2HB       LEU  44  68.626  -1.304   5.362
  307   2HB   LEU  44          1HB       LEU  44  67.963  -0.775   3.813
  308    HG   LEU  44           HG       LEU  44  66.677  -3.158   4.125
  309   1HD1  LEU  44          1HD1      LEU  44  65.917  -3.291   6.465
  310   2HD1  LEU  44          2HD1      LEU  44  66.974  -1.944   6.890
  311   3HD1  LEU  44          3HD1      LEU  44  67.668  -3.480   6.370
  312   1HD2  LEU  44          1HD2      LEU  44  64.792  -1.842   4.260
  313   2HD2  LEU  44          2HD2      LEU  44  65.955  -0.578   3.855
  314   3HD2  LEU  44          3HD2      LEU  44  65.466  -0.825   5.532
  315    H    ALA  45           H        ALA  45  71.338  -1.682   4.305
  316    HA   ALA  45           HA       ALA  45  71.739  -0.012   1.968
  317   1HB   ALA  45          1HB       ALA  45  73.577   0.700   3.172
  318   2HB   ALA  45          2HB       ALA  45  73.997  -0.934   3.685
  319   3HB   ALA  45          3HB       ALA  45  72.687  -0.066   4.487
  320    H    GLN  46           H        GLN  46  72.812  -3.245   2.988
  321    HA   GLN  46           HA       GLN  46  74.658  -3.611   0.775
  322   1HB   GLN  46          2HB       GLN  46  73.896  -4.892   3.159
  323   2HB   GLN  46          1HB       GLN  46  73.500  -6.040   1.880
  324   1HG   GLN  46          2HG       GLN  46  76.161  -4.628   1.906
  325   2HG   GLN  46          1HG       GLN  46  75.906  -6.088   2.864
  326   1HE2  GLN  46          1HE2      GLN  46  77.526  -7.125   1.355
  327   2HE2  GLN  46          2HE2      GLN  46  76.989  -7.683  -0.166
  328    H    ARG  47           H        ARG  47  71.233  -4.426   1.297
  329    HA   ARG  47           HA       ARG  47  71.011  -5.852  -1.252
  330   1HB   ARG  47          2HB       ARG  47  69.057  -4.854   0.843
  331   2HB   ARG  47          1HB       ARG  47  68.562  -5.789  -0.569
  332   1HG   ARG  47          2HG       ARG  47  70.405  -6.660   1.669
  333   2HG   ARG  47          1HG       ARG  47  68.856  -7.369   1.211
  334   1HD   ARG  47          2HD       ARG  47  69.959  -7.821  -1.094
  335   2HD   ARG  47          1HD       ARG  47  71.495  -7.531  -0.252
  336    HE   ARG  47           HE       ARG  47  69.901  -9.293   1.333
  337   1HH1  ARG  47          1HH1      ARG  47  71.660  -9.138  -1.635
  338   2HH1  ARG  47          2HH1      ARG  47  72.038 -10.828  -1.649
  339   1HH2  ARG  47          1HH2      ARG  47  70.393 -11.496   1.328
  340   2HH2  ARG  47          2HH2      ARG  47  71.323 -12.161   0.027
  341    H    ILE  48           H        ILE  48  70.875  -2.569  -0.217
  342    HA   ILE  48           HA       ILE  48  69.194  -1.687  -2.478
  343    HB   ILE  48           HB       ILE  48  70.654  -0.369  -0.181
  344   1HG1  ILE  48          2HG1      ILE  48  67.720  -0.318  -0.923
  345   2HG1  ILE  48          1HG1      ILE  48  68.415  -1.586   0.085
  346   1HG2  ILE  48          1HG2      ILE  48  68.941   1.495  -1.468
  347   2HG2  ILE  48          2HG2      ILE  48  69.971   0.802  -2.720
  348   3HG2  ILE  48          3HG2      ILE  48  70.696   1.578  -1.314
  349   1HD1  ILE  48          1HD1      ILE  48  67.735   1.164   0.786
  350   2HD1  ILE  48          2HD1      ILE  48  69.402   0.767   1.206
  351   3HD1  ILE  48          3HD1      ILE  48  68.075  -0.207   1.841
  352    H    LYS  49           H        LYS  49  72.585  -2.065  -1.688
  353    HA   LYS  49           HA       LYS  49  73.500  -0.299  -3.859
  354   1HB   LYS  49          2HB       LYS  49  74.525  -1.613  -1.500
  355   2HB   LYS  49          1HB       LYS  49  75.563  -1.989  -2.875
  356   1HG   LYS  49          2HG       LYS  49  74.847   0.789  -2.990
  357   2HG   LYS  49          1HG       LYS  49  75.470   0.426  -1.380
  358   1HD   LYS  49          2HD       LYS  49  77.023  -0.860  -3.502
  359   2HD   LYS  49          1HD       LYS  49  77.016   0.900  -3.636
  360   1HE   LYS  49          2HE       LYS  49  78.162   1.189  -1.652
  361   2HE   LYS  49          1HE       LYS  49  77.451  -0.259  -0.913
  362   1HZ   LYS  49          1HZ       LYS  49  79.093  -0.647  -3.292
  363   2HZ   LYS  49          2HZ       LYS  49  78.933  -1.628  -1.914
  364   3HZ   LYS  49          3HZ       LYS  49  79.914  -0.242  -1.865
  365    H    ASN  50           H        ASN  50  72.656  -3.660  -3.469
  366    HA   ASN  50           HA       ASN  50  73.631  -4.168  -6.257
  367   1HB   ASN  50          2HB       ASN  50  73.898  -5.973  -3.829
  368   2HB   ASN  50          1HB       ASN  50  74.411  -6.382  -5.466
  369   1HD2  ASN  50          1HD2      ASN  50  76.094  -6.035  -2.978
  370   2HD2  ASN  50          2HD2      ASN  50  77.243  -4.842  -3.386
  371    H    GLY  51           H        GLY  51  71.007  -4.036  -4.253
  372   1HA   GLY  51          2HA       GLY  51  68.863  -5.017  -4.271
  373   2HA   GLY  51          1HA       GLY  51  69.145  -5.184  -6.003
  374    H    SER  52           H        SER  52  67.678  -7.212  -4.980
  375    HA   SER  52           HA       SER  52  69.144  -9.579  -5.542
  376   1HB   SER  52          2HB       SER  52  70.548  -9.500  -3.742
  377   2HB   SER  52          1HB       SER  52  69.482  -8.431  -2.836
  378    HG   SER  52           HG       SER  52  69.698 -11.151  -2.796
  379    H    GLN  53           H        GLN  53  68.026 -11.603  -4.735
  380    HA   GLN  53           HA       GLN  53  65.112 -11.063  -4.302
  381   1HB   GLN  53          2HB       GLN  53  64.775 -12.578  -5.960
  382   2HB   GLN  53          1HB       GLN  53  66.504 -12.487  -6.265
  383   1HG   GLN  53          2HG       GLN  53  65.143 -14.459  -4.400
  384   2HG   GLN  53          1HG       GLN  53  65.769 -14.825  -6.004
  385   1HE2  GLN  53          1HE2      GLN  53  68.242 -13.756  -6.143
  386   2HE2  GLN  53          2HE2      GLN  53  69.245 -14.288  -4.870
  387    H    GLY  54           H        GLY  54  64.140 -13.283  -3.239
  388   1HA   GLY  54          2HA       GLY  54  64.097 -14.696  -1.349
  389   2HA   GLY  54          1HA       GLY  54  65.849 -14.505  -1.228
  390    H    VAL  55           H        VAL  55  63.942 -11.652  -1.464
  391    HA   VAL  55           HA       VAL  55  64.657 -10.944   1.338
  392    HB   VAL  55           HB       VAL  55  63.524  -9.224  -0.888
  393   1HG1  VAL  55          1HG1      VAL  55  63.719  -8.491   1.612
  394   2HG1  VAL  55          2HG1      VAL  55  64.309  -7.401   0.356
  395   3HG1  VAL  55          3HG1      VAL  55  65.446  -8.393   1.270
  396   1HG2  VAL  55          1HG2      VAL  55  65.830  -8.712  -1.519
  397   2HG2  VAL  55          2HG2      VAL  55  65.560 -10.451  -1.651
  398   3HG2  VAL  55          3HG2      VAL  55  66.439  -9.797  -0.269
  399    H    TRP  56           H        TRP  56  61.900 -10.137  -0.790
  400    HA   TRP  56           HA       TRP  56  60.066 -10.693   1.512
  401   1HB   TRP  56          2HB       TRP  56  60.080  -8.658  -0.732
  402   2HB   TRP  56          1HB       TRP  56  58.681  -8.928   0.303
  403    HD1  TRP  56           HD1      TRP  56  62.267  -7.628   0.378
  404    HE1  TRP  56           HE1      TRP  56  62.618  -6.264   2.536
  405    HE3  TRP  56           HE3      TRP  56  57.845  -8.580   2.754
  406    HZ2  TRP  56           HZ2      TRP  56  61.211  -5.656   4.948
  407    HZ3  TRP  56           HZ3      TRP  56  57.382  -7.594   4.983
  408    HH2  TRP  56           HH2      TRP  56  59.055  -6.136   6.080
  409    H    GLY  57           H        GLY  57  60.548 -10.881  -1.995
  410   1HA   GLY  57          2HA       GLY  57  58.810 -13.246  -2.128
  411   2HA   GLY  57          1HA       GLY  57  58.216 -11.843  -3.018
  412    HA   PRO  58           HA       PRO  58  61.132 -14.308  -5.724
  413   1HB   PRO  58          2HB       PRO  58  59.095 -14.183  -7.750
  414   2HB   PRO  58          1HB       PRO  58  59.673 -15.604  -6.874
  415   1HG   PRO  58          2HG       PRO  58  57.134 -14.352  -6.622
  416   2HG   PRO  58          1HG       PRO  58  57.773 -15.674  -5.641
  417   1HD   PRO  58          2HD       PRO  58  57.409 -12.865  -4.908
  418   2HD   PRO  58          1HD       PRO  58  57.822 -14.247  -3.862
  419    H    ILE  59           H        ILE  59  60.078 -11.187  -5.498
  420    HA   ILE  59           HA       ILE  59  61.056 -10.411  -8.217
  421    HB   ILE  59           HB       ILE  59  59.609  -8.688  -6.198
  422   1HG1  ILE  59          2HG1      ILE  59  58.453 -10.615  -8.236
  423   2HG1  ILE  59          1HG1      ILE  59  58.200 -10.639  -6.489
  424   1HG2  ILE  59          1HG2      ILE  59  60.653  -7.568  -8.128
  425   2HG2  ILE  59          2HG2      ILE  59  58.894  -7.500  -8.248
  426   3HG2  ILE  59          3HG2      ILE  59  59.802  -8.654  -9.225
  427   1HD1  ILE  59          1HD1      ILE  59  56.318  -9.453  -6.979
  428   2HD1  ILE  59          2HD1      ILE  59  56.935  -8.943  -8.551
  429   3HD1  ILE  59          3HD1      ILE  59  57.430  -8.089  -7.091
  430    HA   PRO  60           HA       PRO  60  64.588  -9.453  -5.339
  431   1HB   PRO  60          2HB       PRO  60  66.194  -9.499  -7.724
  432   2HB   PRO  60          1HB       PRO  60  66.195 -10.653  -6.396
  433   1HG   PRO  60          2HG       PRO  60  65.141 -11.000  -9.054
  434   2HG   PRO  60          1HG       PRO  60  65.216 -12.184  -7.746
  435   1HD   PRO  60          2HD       PRO  60  62.878 -10.896  -8.772
  436   2HD   PRO  60          1HD       PRO  60  62.984 -11.965  -7.351
  437    H    MET  61           H        MET  61  65.511  -7.394  -5.081
  438    HA   MET  61           HA       MET  61  64.454  -5.216  -6.699
  439   1HB   MET  61          2HB       MET  61  64.861  -5.066  -4.283
  440   2HB   MET  61          1HB       MET  61  66.579  -5.377  -4.538
  441   1HG   MET  61          2HG       MET  61  65.873  -3.247  -6.275
  442   2HG   MET  61          1HG       MET  61  65.171  -2.879  -4.704
  443   1HE   MET  61          1HE       MET  61  67.520  -2.598  -2.229
  444   2HE   MET  61          2HE       MET  61  65.930  -2.344  -2.947
  445   3HE   MET  61          3HE       MET  61  67.176  -1.111  -3.125
  446    HA   PRO  62           HA       PRO  62  67.848  -5.306  -9.619
  447   1HB   PRO  62          2HB       PRO  62  67.216  -2.615 -10.416
  448   2HB   PRO  62          1HB       PRO  62  66.811  -4.112 -11.261
  449   1HG   PRO  62          2HG       PRO  62  65.014  -2.354  -9.930
  450   2HG   PRO  62          1HG       PRO  62  64.637  -3.921 -10.653
  451   1HD   PRO  62          2HD       PRO  62  64.839  -3.221  -7.822
  452   2HD   PRO  62          1HD       PRO  62  64.253  -4.735  -8.555
  453    HA   PRO  63           HA       PRO  63  70.818  -3.259  -7.003
  454   1HB   PRO  63          2HB       PRO  63  72.681  -3.022  -9.178
  455   2HB   PRO  63          1HB       PRO  63  72.687  -4.196  -7.860
  456   1HG   PRO  63          2HG       PRO  63  72.007  -4.636 -10.632
  457   2HG   PRO  63          1HG       PRO  63  72.106  -5.821  -9.327
  458   1HD   PRO  63          2HD       PRO  63  69.735  -4.860 -10.609
  459   2HD   PRO  63          1HD       PRO  63  69.829  -5.936  -9.192
  460    H    ASN  64           H        ASN  64  71.746  -1.087  -6.807
  461    HA   ASN  64           HA       ASN  64  70.731   0.850  -8.869
  462   1HB   ASN  64          2HB       ASN  64  70.676   0.891  -5.841
  463   2HB   ASN  64          1HB       ASN  64  70.323   2.314  -6.824
  464   1HD2  ASN  64          1HD2      ASN  64  69.269  -1.093  -6.341
  465   2HD2  ASN  64          2HD2      ASN  64  67.655  -0.820  -6.820
  466    H    ALA  65           H        ALA  65  71.909   2.959  -8.804
  467    HA   ALA  65           HA       ALA  65  74.812   2.535  -8.401
  468   1HB   ALA  65          1HB       ALA  65  73.043   4.600  -9.724
  469   2HB   ALA  65          2HB       ALA  65  74.208   3.515 -10.484
  470   3HB   ALA  65          3HB       ALA  65  74.773   4.878  -9.517
  471    H    VAL  66           H        VAL  66  73.071   2.759  -6.054
  472    HA   VAL  66           HA       VAL  66  73.507   5.463  -4.959
  473    HB   VAL  66           HB       VAL  66  72.414   4.329  -2.937
  474   1HG1  VAL  66          1HG1      VAL  66  71.281   4.796  -5.630
  475   2HG1  VAL  66          2HG1      VAL  66  70.774   5.434  -4.067
  476   3HG1  VAL  66          3HG1      VAL  66  70.281   3.815  -4.560
  477   1HG2  VAL  66          1HG2      VAL  66  73.235   2.014  -3.927
  478   2HG2  VAL  66          2HG2      VAL  66  71.723   2.101  -4.830
  479   3HG2  VAL  66          3HG2      VAL  66  71.698   2.114  -3.066
  480    H    SER  67           H        SER  67  75.604   5.892  -4.338
  481    HA   SER  67           HA       SER  67  77.674   4.136  -3.719
  482   1HB   SER  67          2HB       SER  67  77.178   6.684  -2.176
  483   2HB   SER  67          1HB       SER  67  78.709   6.042  -2.762
  484    HG   SER  67           HG       SER  67  78.350   7.260  -4.433
  485    H    ASP  68           H        ASP  68  78.616   3.852  -1.382
  486    HA   ASP  68           HA       ASP  68  76.899   2.212   0.161
  487   1HB   ASP  68          2HB       ASP  68  79.577   3.227   0.181
  488   2HB   ASP  68          1HB       ASP  68  78.914   3.407   1.806
  489    H    ASP  69           H        ASP  69  78.025   5.519   0.998
  490    HA   ASP  69           HA       ASP  69  76.335   5.878   3.252
  491   1HB   ASP  69          2HB       ASP  69  78.139   7.373   2.921
  492   2HB   ASP  69          1HB       ASP  69  77.680   7.692   1.248
  493    H    GLU  70           H        GLU  70  75.591   5.891  -0.138
  494    HA   GLU  70           HA       GLU  70  73.172   7.511   0.072
  495   1HB   GLU  70          2HB       GLU  70  74.418   5.702  -2.003
  496   2HB   GLU  70          1HB       GLU  70  72.868   6.497  -2.276
  497   1HG   GLU  70          2HG       GLU  70  74.330   8.604  -1.393
  498   2HG   GLU  70          1HG       GLU  70  75.595   7.656  -2.176
  499    H    ALA  71           H        ALA  71  73.846   4.016  -0.240
  500    HA   ALA  71           HA       ALA  71  71.054   3.232  -0.104
  501   1HB   ALA  71          1HB       ALA  71  72.025   0.997   0.095
  502   2HB   ALA  71          2HB       ALA  71  73.580   1.680   0.571
  503   3HB   ALA  71          3HB       ALA  71  72.977   1.918  -1.069
  504    H    GLN  72           H        GLN  72  73.481   4.101   2.236
  505    HA   GLN  72           HA       GLN  72  72.265   2.794   4.531
  506   1HB   GLN  72          2HB       GLN  72  74.455   4.690   3.893
  507   2HB   GLN  72          1HB       GLN  72  73.763   4.867   5.507
  508   1HG   GLN  72          2HG       GLN  72  74.150   2.065   4.841
  509   2HG   GLN  72          1HG       GLN  72  75.662   2.963   4.708
  510   1HE2  GLN  72          1HE2      GLN  72  76.672   3.645   6.649
  511   2HE2  GLN  72          2HE2      GLN  72  76.004   3.388   8.197
  512    H    THR  73           H        THR  73  72.236   6.072   3.154
  513    HA   THR  73           HA       THR  73  70.370   7.152   5.102
  514    HB   THR  73           HB       THR  73  71.411   7.950   2.370
  515    HG1  THR  73           HG1      THR  73  72.762   9.071   3.524
  516   1HG2  THR  73          1HG2      THR  73  69.402   9.063   2.215
  517   2HG2  THR  73          2HG2      THR  73  70.292  10.231   3.191
  518   3HG2  THR  73          3HG2      THR  73  69.172   9.110   3.963
  519    H    LEU  74           H        LEU  74  70.158   5.344   2.131
  520    HA   LEU  74           HA       LEU  74  67.342   5.917   1.607
  521   1HB   LEU  74          2HB       LEU  74  69.370   3.874   0.634
  522   2HB   LEU  74          1HB       LEU  74  67.726   3.952   0.012
  523    HG   LEU  74           HG       LEU  74  69.480   6.401   0.053
  524   1HD1  LEU  74          1HD1      LEU  74  70.710   4.692  -1.203
  525   2HD1  LEU  74          2HD1      LEU  74  70.041   5.886  -2.314
  526   3HD1  LEU  74          3HD1      LEU  74  69.264   4.312  -2.137
  527   1HD2  LEU  74          1HD2      LEU  74  67.466   7.222  -0.596
  528   2HD2  LEU  74          2HD2      LEU  74  66.830   5.617  -0.956
  529   3HD2  LEU  74          3HD2      LEU  74  67.819   6.460  -2.147
  530    H    ALA  75           H        ALA  75  69.218   3.630   3.469
  531    HA   ALA  75           HA       ALA  75  67.075   1.706   3.887
  532   1HB   ALA  75          1HB       ALA  75  68.825   1.251   5.883
  533   2HB   ALA  75          2HB       ALA  75  69.842   2.262   4.857
  534   3HB   ALA  75          3HB       ALA  75  69.160   0.766   4.222
  535    H    LYS  76           H        LYS  76  68.611   4.208   5.972
  536    HA   LYS  76           HA       LYS  76  66.777   3.963   8.147
  537   1HB   LYS  76          2HB       LYS  76  67.665   6.162   8.773
  538   2HB   LYS  76          1HB       LYS  76  68.976   5.175   8.127
  539   1HG   LYS  76          2HG       LYS  76  69.352   7.057   6.871
  540   2HG   LYS  76          1HG       LYS  76  68.131   6.314   5.838
  541   1HD   LYS  76          2HD       LYS  76  67.470   8.606   6.182
  542   2HD   LYS  76          1HD       LYS  76  66.382   7.601   7.140
  543   1HE   LYS  76          2HE       LYS  76  67.459   8.169   9.177
  544   2HE   LYS  76          1HE       LYS  76  68.899   8.779   8.338
  545   1HZ   LYS  76          1HZ       LYS  76  66.429  10.002   7.487
  546   2HZ   LYS  76          2HZ       LYS  76  67.915  10.723   7.882
  547   3HZ   LYS  76          3HZ       LYS  76  66.814  10.315   9.109
  548    H    TRP  77           H        TRP  77  66.596   5.599   5.045
  549    HA   TRP  77           HA       TRP  77  64.387   7.344   5.529
  550   1HB   TRP  77          2HB       TRP  77  65.823   7.454   3.558
  551   2HB   TRP  77          1HB       TRP  77  65.342   5.822   3.083
  552    HD1  TRP  77           HD1      TRP  77  63.382   9.047   4.009
  553    HE1  TRP  77           HE1      TRP  77  61.515   9.359   2.258
  554    HE3  TRP  77           HE3      TRP  77  64.261   4.985   1.061
  555    HZ2  TRP  77           HZ2      TRP  77  60.521   8.052  -0.082
  556    HZ3  TRP  77           HZ3      TRP  77  62.840   4.535  -0.924
  557    HH2  TRP  77           HH2      TRP  77  60.973   6.064  -1.495
  558    H    ILE  78           H        ILE  78  64.443   4.046   4.113
  559    HA   ILE  78           HA       ILE  78  61.618   3.689   3.954
  560    HB   ILE  78           HB       ILE  78  63.824   1.656   4.448
  561   1HG1  ILE  78          2HG1      ILE  78  62.796   2.148   1.709
  562   2HG1  ILE  78          1HG1      ILE  78  63.775   3.446   2.391
  563   1HG2  ILE  78          1HG2      ILE  78  60.986   1.485   3.457
  564   2HG2  ILE  78          2HG2      ILE  78  61.794   0.499   4.675
  565   3HG2  ILE  78          3HG2      ILE  78  62.180   0.283   2.969
  566   1HD1  ILE  78          1HD1      ILE  78  65.369   2.049   1.368
  567   2HD1  ILE  78          2HD1      ILE  78  64.543   0.578   1.883
  568   3HD1  ILE  78          3HD1      ILE  78  65.422   1.553   3.059
  569    H    LEU  79           H        LEU  79  63.923   2.943   6.574
  570    HA   LEU  79           HA       LEU  79  61.902   1.757   8.305
  571   1HB   LEU  79          2HB       LEU  79  64.786   2.518   8.378
  572   2HB   LEU  79          1HB       LEU  79  63.973   2.308   9.929
  573    HG   LEU  79           HG       LEU  79  63.199   0.160   8.189
  574   1HD1  LEU  79          1HD1      LEU  79  66.158   0.759   8.357
  575   2HD1  LEU  79          2HD1      LEU  79  65.200   0.399   6.921
  576   3HD1  LEU  79          3HD1      LEU  79  65.549  -0.874   8.090
  577   1HD2  LEU  79          1HD2      LEU  79  63.885   0.627  10.871
  578   2HD2  LEU  79          2HD2      LEU  79  65.086  -0.527  10.292
  579   3HD2  LEU  79          3HD2      LEU  79  63.369  -0.907  10.172
  580    H    SER  80           H        SER  80  62.672   4.980   7.482
  581    HA   SER  80           HA       SER  80  61.422   5.971  10.026
  582   1HB   SER  80          2HB       SER  80  63.565   7.093   8.209
  583   2HB   SER  80          1HB       SER  80  62.769   8.067   9.442
  584    HG   SER  80           HG       SER  80  63.754   5.568  10.189
  585    H    GLN  81           H        GLN  81  60.630   5.372   6.917
  586    HA   GLN  81           HA       GLN  81  59.705   7.627   5.625
  587   1HB   GLN  81          2HB       GLN  81  58.347   4.967   6.141
  588   2HB   GLN  81          1HB       GLN  81  57.770   6.127   4.943
  589   1HG   GLN  81          2HG       GLN  81  60.424   4.678   4.992
  590   2HG   GLN  81          1HG       GLN  81  59.173   4.605   3.751
  591   1HE2  GLN  81          1HE2      GLN  81  58.631   7.459   3.610
  592   2HE2  GLN  81          2HE2      GLN  81  60.003   8.206   2.927
  593    H    LYS  82           H        LYS  82  57.813   5.906   8.148
  594    HA   LYS  82           HA       LYS  82  56.054   8.285   8.414
  595   1HB   LYS  82          2HB       LYS  82  55.765   5.491   8.536
  596   2HB   LYS  82          1HB       LYS  82  55.537   6.049  10.195
  597   1HG   LYS  82          2HG       LYS  82  54.118   7.914   8.730
  598   2HG   LYS  82          1HG       LYS  82  53.810   6.417   7.850
  599   1HD   LYS  82          2HD       LYS  82  52.690   5.446   9.610
  600   2HD   LYS  82          1HD       LYS  82  53.642   6.302  10.824
  601   1HE   LYS  82          2HE       LYS  82  52.115   8.200   9.251
  602   2HE   LYS  82          1HE       LYS  82  51.045   6.975   9.960
  603   1HZ   LYS  82          1HZ       LYS  82  52.350   7.283  12.065
  604   2HZ   LYS  82          2HZ       LYS  82  51.374   8.602  11.626
  605   3HZ   LYS  82          3HZ       LYS  82  53.051   8.655  11.357
  606    HHA  HEM  83           HHA      HEM  83  63.123  -5.163  -1.127
  607    HHB  HEM  83           HHB      HEM  83  65.440   0.779  -0.331
  608    HHC  HEM  83           HHC      HEM  83  64.765   1.678  -6.504
  609    HHD  HEM  83           HHD      HEM  83  61.583  -3.754  -7.033
  610   1HMA  HEM  83          1HMA      HEM  83  64.998  -1.265   2.282
  611   2HMA  HEM  83          2HMA      HEM  83  66.278  -0.546   1.305
  612   3HMA  HEM  83          3HMA      HEM  83  66.438  -2.203   1.888
  613   1HAA  HEM  83          1HAA      HEM  83  64.210  -4.963   1.188
  614   2HAA  HEM  83          2HAA      HEM  83  65.826  -4.310   1.455
  615   1HBA  HEM  83          1HBA      HEM  83  66.211  -4.976  -1.058
  616   2HBA  HEM  83          2HBA      HEM  83  64.827  -6.037  -0.801
  617    H2A  HEM  83          3HBB      HEM  83  67.754   3.658  -6.205
  618   1HMB  HEM  83          1HMB      HEM  83  67.198   3.442  -2.215
  619   2HMB  HEM  83          2HMB      HEM  83  66.778   2.366  -0.884
  620   3HMB  HEM  83          3HMB      HEM  83  65.660   3.638  -1.375
  621    HAB  HEM  83           HAB      HEM  83  65.507   3.239  -5.843
  622   1HBB  HEM  83          1HBB      HEM  83  67.830   2.097  -5.389
  623   2HBB  HEM  83          2HBB      HEM  83  68.151   3.579  -4.488
  624   1HMC  HEM  83          1HMC      HEM  83  63.640   1.648  -8.537
  625   2HMC  HEM  83          2HMC      HEM  83  63.115   0.445  -9.716
  626   3HMC  HEM  83          3HMC      HEM  83  64.795   0.480  -9.179
  627    HAC  HEM  83           HAC      HEM  83  61.262  -2.809  -8.644
  628   1HBC  HEM  83          1HBC      HEM  83  61.754  -1.890 -11.077
  629   2HBC  HEM  83          2HBC      HEM  83  62.785  -3.111 -10.331
  630   1HMD  HEM  83          1HMD      HEM  83  60.076  -5.506  -6.160
  631   2HMD  HEM  83          2HMD      HEM  83  60.493  -6.927  -5.200
  632   3HMD  HEM  83          3HMD      HEM  83  61.553  -6.405  -6.510
  633   1HAD  HEM  83          1HAD      HEM  83  60.612  -7.026  -2.955
  634   2HAD  HEM  83          2HAD      HEM  83  61.696  -6.544  -1.656
  635   1HBD  HEM  83          1HBD      HEM  83  63.312  -8.006  -2.300
  636   2HBD  HEM  83          2HBD      HEM  83  63.050  -7.688  -4.016
  637    H2D  HEM  83          3HBC      HEM  83  63.282  -1.418 -10.333
  Start of MODEL   15
    1   1H    GLU   1          1H        GLU   1  71.067  19.020   0.471
    2   2H    GLU   1          2H        GLU   1  71.638  17.424   0.585
    3   3H    GLU   1          3H        GLU   1  70.702  18.086   1.839
    4    HA   GLU   1           HA       GLU   1  68.961  18.395  -0.109
    5   1HB   GLU   1          2HB       GLU   1  70.969  16.286  -0.908
    6   2HB   GLU   1          1HB       GLU   1  69.311  16.233  -1.509
    7   1HG   GLU   1          2HG       GLU   1  70.971  18.744  -1.722
    8   2HG   GLU   1          1HG       GLU   1  71.057  17.481  -2.951
    9    H    ASP   2           H        ASP   2  67.138  16.911   0.162
   10    HA   ASP   2           HA       ASP   2  67.232  15.457   2.721
   11   1HB   ASP   2          2HB       ASP   2  65.199  16.457   0.772
   12   2HB   ASP   2          1HB       ASP   2  64.723  15.146   1.852
   13    HA   PRO   3           HA       PRO   3  67.781  11.414   1.078
   14   1HB   PRO   3          2HB       PRO   3  65.764  10.257   2.774
   15   2HB   PRO   3          1HB       PRO   3  67.514  10.245   3.006
   16   1HG   PRO   3          2HG       PRO   3  65.552  11.738   4.478
   17   2HG   PRO   3          1HG       PRO   3  67.303  11.723   4.708
   18   1HD   PRO   3          2HD       PRO   3  65.685  13.844   3.616
   19   2HD   PRO   3          1HD       PRO   3  67.453  13.821   3.832
   20    H    GLU   4           H        GLU   4  64.597  12.852   1.296
   21    HA   GLU   4           HA       GLU   4  63.194  10.870  -0.297
   22   1HB   GLU   4          2HB       GLU   4  62.678  13.239   1.194
   23   2HB   GLU   4          1HB       GLU   4  62.062  13.514  -0.436
   24   1HG   GLU   4          2HG       GLU   4  61.086  11.074  -0.139
   25   2HG   GLU   4          1HG       GLU   4  61.240  11.451   1.577
   26    H    VAL   5           H        VAL   5  65.020  13.816  -0.987
   27    HA   VAL   5           HA       VAL   5  64.194  14.064  -3.750
   28    HB   VAL   5           HB       VAL   5  66.675  15.026  -2.292
   29   1HG1  VAL   5          1HG1      VAL   5  67.235  16.090  -4.198
   30   2HG1  VAL   5          2HG1      VAL   5  65.606  16.744  -4.374
   31   3HG1  VAL   5          3HG1      VAL   5  65.989  15.146  -5.015
   32   1HG2  VAL   5          1HG2      VAL   5  65.149  16.195  -1.081
   33   2HG2  VAL   5          2HG2      VAL   5  63.841  15.810  -2.199
   34   3HG2  VAL   5          3HG2      VAL   5  64.930  17.153  -2.546
   35    H    LEU   6           H        LEU   6  67.071  12.668  -2.158
   36    HA   LEU   6           HA       LEU   6  68.314  11.807  -4.620
   37   1HB   LEU   6          2HB       LEU   6  69.910  10.860  -3.164
   38   2HB   LEU   6          1HB       LEU   6  69.244  12.180  -2.206
   39    HG   LEU   6           HG       LEU   6  67.540  10.367  -1.380
   40   1HD1  LEU   6          1HD1      LEU   6  69.464   8.837  -2.970
   41   2HD1  LEU   6          2HD1      LEU   6  67.883   8.354  -2.355
   42   3HD1  LEU   6          3HD1      LEU   6  69.307   8.228  -1.323
   43   1HD2  LEU   6          1HD2      LEU   6  70.451  10.265  -0.525
   44   2HD2  LEU   6          2HD2      LEU   6  69.059   9.806   0.457
   45   3HD2  LEU   6          3HD2      LEU   6  69.295  11.491  -0.005
   46    H    ALA   7           H        ALA   7  65.971  10.384  -2.410
   47    HA   ALA   7           HA       ALA   7  66.067   7.672  -3.274
   48   1HB   ALA   7          1HB       ALA   7  64.130   9.547  -1.992
   49   2HB   ALA   7          2HB       ALA   7  64.754   8.008  -1.399
   50   3HB   ALA   7          3HB       ALA   7  63.480   8.032  -2.618
   51    H    LYS   8           H        LYS   8  63.847  10.280  -4.330
   52    HA   LYS   8           HA       LYS   8  62.574   8.900  -6.440
   53   1HB   LYS   8          2HB       LYS   8  63.259  11.767  -5.825
   54   2HB   LYS   8          1HB       LYS   8  62.428  11.365  -7.328
   55   1HG   LYS   8          2HG       LYS   8  61.217   9.972  -5.095
   56   2HG   LYS   8          1HG       LYS   8  61.254  11.710  -4.796
   57   1HD   LYS   8          2HD       LYS   8  60.361  11.958  -7.202
   58   2HD   LYS   8          1HD       LYS   8  59.988  10.237  -7.106
   59   1HE   LYS   8          2HE       LYS   8  57.991  11.067  -6.273
   60   2HE   LYS   8          1HE       LYS   8  58.911  11.046  -4.755
   61   1HZ   LYS   8          1HZ       LYS   8  59.168  13.267  -4.771
   62   2HZ   LYS   8          2HZ       LYS   8  57.810  13.259  -5.793
   63   3HZ   LYS   8          3HZ       LYS   8  59.374  13.350  -6.452
   64    H    ASN   9           H        ASN   9  65.582  10.826  -6.483
   65    HA   ASN   9           HA       ASN   9  66.096  10.710  -9.279
   66   1HB   ASN   9          2HB       ASN   9  68.162  10.618  -7.071
   67   2HB   ASN   9          1HB       ASN   9  68.295  11.407  -8.642
   68   1HD2  ASN   9          1HD2      ASN   9  65.316  12.299  -8.197
   69   2HD2  ASN   9          2HD2      ASN   9  65.476  13.658  -7.179
   70    H    LYS  10           H        LYS  10  66.576   8.299  -6.751
   71    HA   LYS  10           HA       LYS  10  68.174   6.581  -8.569
   72   1HB   LYS  10          2HB       LYS  10  67.194   6.233  -5.714
   73   2HB   LYS  10          1HB       LYS  10  68.360   5.187  -6.532
   74   1HG   LYS  10          2HG       LYS  10  68.731   8.151  -6.015
   75   2HG   LYS  10          1HG       LYS  10  69.503   6.852  -5.105
   76   1HD   LYS  10          2HD       LYS  10  70.639   6.073  -7.131
   77   2HD   LYS  10          1HD       LYS  10  69.825   7.314  -8.086
   78   1HE   LYS  10          2HE       LYS  10  70.914   9.073  -6.694
   79   2HE   LYS  10          1HE       LYS  10  71.793   7.802  -5.820
   80   1HZ   LYS  10          1HZ       LYS  10  71.986   8.557  -8.667
   81   2HZ   LYS  10          2HZ       LYS  10  72.401   6.988  -8.166
   82   3HZ   LYS  10          3HZ       LYS  10  73.234   8.331  -7.542
   83    H    GLY  11           H        GLY  11  64.897   7.053  -7.611
   84   1HA   GLY  11          2HA       GLY  11  63.053   5.981  -8.732
   85   2HA   GLY  11          1HA       GLY  11  64.124   4.650  -9.163
   86    H    CYS  12           H        CYS  12  64.313   5.730  -5.884
   87    HA   CYS  12           HA       CYS  12  63.499   3.152  -4.874
   88   1HB   CYS  12          2HB       CYS  12  63.612   5.755  -3.340
   89   2HB   CYS  12          1HB       CYS  12  63.950   4.136  -2.741
   90    H    MET  13           H        MET  13  61.898   6.332  -5.003
   91    HA   MET  13           HA       MET  13  59.467   5.364  -3.702
   92   1HB   MET  13          2HB       MET  13  60.084   7.891  -5.272
   93   2HB   MET  13          1HB       MET  13  58.729   7.662  -4.163
   94   1HG   MET  13          2HG       MET  13  61.089   6.918  -2.763
   95   2HG   MET  13          1HG       MET  13  61.416   8.462  -3.550
   96   1HE   MET  13          1HE       MET  13  59.023   6.330  -1.924
   97   2HE   MET  13          2HE       MET  13  57.610   7.378  -1.831
   98   3HE   MET  13          3HE       MET  13  58.612   7.133  -0.402
   99    H    ALA  14           H        ALA  14  60.679   4.687  -6.678
  100    HA   ALA  14           HA       ALA  14  58.248   5.145  -8.269
  101   1HB   ALA  14          1HB       ALA  14  59.882   3.640  -9.812
  102   2HB   ALA  14          2HB       ALA  14  61.057   4.260  -8.652
  103   3HB   ALA  14          3HB       ALA  14  60.092   5.379  -9.616
  104    H    CYS  15           H        CYS  15  60.061   2.355  -6.995
  105    HA   CYS  15           HA       CYS  15  57.881   0.516  -7.834
  106   1HB   CYS  15          2HB       CYS  15  60.676   0.239  -6.713
  107   2HB   CYS  15          1HB       CYS  15  59.602  -1.148  -6.887
  108    H    HIS  16           H        HIS  16  59.100   2.135  -4.994
  109    HA   HIS  16           HA       HIS  16  57.709   0.232  -3.185
  110   1HB   HIS  16          2HB       HIS  16  59.771   2.392  -2.992
  111   2HB   HIS  16          1HB       HIS  16  58.846   1.986  -1.543
  112    HD1  HIS  16           HD1      HIS  16  58.662  -0.874  -1.335
  113    HD2  HIS  16           HD2      HIS  16  62.034   0.831  -3.099
  114    HE1  HIS  16           HE1      HIS  16  60.495  -2.618  -1.211
  115    H    ALA  17           H        ALA  17  56.420   1.163  -1.407
  116    HA   ALA  17           HA       ALA  17  54.999   3.706  -2.076
  117   1HB   ALA  17          1HB       ALA  17  54.003   1.221  -2.630
  118   2HB   ALA  17          2HB       ALA  17  52.988   2.610  -2.249
  119   3HB   ALA  17          3HB       ALA  17  53.405   1.451  -0.987
  120    H    ILE  18           H        ILE  18  55.408   4.954  -0.285
  121    HA   ILE  18           HA       ILE  18  56.489   4.387   2.148
  122    HB   ILE  18           HB       ILE  18  54.068   6.173   1.732
  123   1HG1  ILE  18          2HG1      ILE  18  56.457   7.648   1.504
  124   2HG1  ILE  18          1HG1      ILE  18  56.703   6.204   0.520
  125   1HG2  ILE  18          1HG2      ILE  18  54.604   7.162   3.708
  126   2HG2  ILE  18          2HG2      ILE  18  56.337   7.039   3.405
  127   3HG2  ILE  18          3HG2      ILE  18  55.453   5.652   4.042
  128   1HD1  ILE  18          1HD1      ILE  18  54.528   8.283   0.279
  129   2HD1  ILE  18          2HD1      ILE  18  54.356   6.681  -0.440
  130   3HD1  ILE  18          3HD1      ILE  18  55.667   7.742  -0.954
  131    H    ASP  19           H        ASP  19  53.109   3.766   1.269
  132    HA   ASP  19           HA       ASP  19  52.918   1.916   3.591
  133   1HB   ASP  19          2HB       ASP  19  52.160   4.517   3.871
  134   2HB   ASP  19          1HB       ASP  19  50.650   3.805   3.305
  135    H    THR  20           H        THR  20  52.475   2.300   0.391
  136    HA   THR  20           HA       THR  20  49.926   0.725   0.316
  137    HB   THR  20           HB       THR  20  50.512   1.610  -2.245
  138    HG1  THR  20           HG1      THR  20  50.898   3.903  -1.737
  139   1HG2  THR  20          1HG2      THR  20  48.313   1.865  -1.607
  140   2HG2  THR  20          2HG2      THR  20  48.858   3.534  -1.432
  141   3HG2  THR  20          3HG2      THR  20  48.741   2.491  -0.014
  142    H    LYS  21           H        LYS  21  50.295  -0.285  -2.312
  143    HA   LYS  21           HA       LYS  21  52.776  -1.926  -2.078
  144   1HB   LYS  21          2HB       LYS  21  50.696  -3.023  -1.140
  145   2HB   LYS  21          1HB       LYS  21  50.016  -2.969  -2.767
  146   1HG   LYS  21          2HG       LYS  21  52.605  -4.047  -3.061
  147   2HG   LYS  21          1HG       LYS  21  51.909  -4.852  -1.652
  148   1HD   LYS  21          2HD       LYS  21  50.448  -6.018  -2.922
  149   2HD   LYS  21          1HD       LYS  21  49.981  -4.580  -3.831
  150   1HE   LYS  21          2HE       LYS  21  51.195  -5.324  -5.591
  151   2HE   LYS  21          1HE       LYS  21  52.659  -5.273  -4.590
  152   1HZ   LYS  21          1HZ       LYS  21  50.756  -7.501  -4.961
  153   2HZ   LYS  21          2HZ       LYS  21  51.720  -7.410  -3.565
  154   3HZ   LYS  21          3HZ       LYS  21  52.447  -7.517  -5.097
  155    H    MET  22           H        MET  22  53.853  -2.068  -4.001
  156    HA   MET  22           HA       MET  22  52.337  -1.692  -6.545
  157   1HB   MET  22          2HB       MET  22  54.487  -0.019  -5.319
  158   2HB   MET  22          1HB       MET  22  54.539  -0.243  -7.070
  159   1HG   MET  22          2HG       MET  22  52.641   0.980  -7.414
  160   2HG   MET  22          1HG       MET  22  51.873   0.391  -5.940
  161   1HE   MET  22          1HE       MET  22  54.661   2.462  -7.446
  162   2HE   MET  22          2HE       MET  22  55.540   1.838  -6.052
  163   3HE   MET  22          3HE       MET  22  55.187   3.561  -6.163
  164    H    VAL  23           H        VAL  23  55.797  -1.516  -6.566
  165    HA   VAL  23           HA       VAL  23  55.926  -4.186  -7.836
  166    HB   VAL  23           HB       VAL  23  58.103  -2.113  -7.476
  167   1HG1  VAL  23          1HG1      VAL  23  58.974  -4.167  -8.316
  168   2HG1  VAL  23          2HG1      VAL  23  58.768  -3.138  -9.734
  169   3HG1  VAL  23          3HG1      VAL  23  57.590  -4.402  -9.384
  170   1HG2  VAL  23          1HG2      VAL  23  56.117  -2.303  -9.762
  171   2HG2  VAL  23          2HG2      VAL  23  57.387  -1.096  -9.561
  172   3HG2  VAL  23          3HG2      VAL  23  56.008  -1.117  -8.462
  173    H    GLY  24           H        GLY  24  57.020  -2.421  -5.003
  174   1HA   GLY  24          2HA       GLY  24  58.134  -4.976  -3.919
  175   2HA   GLY  24          1HA       GLY  24  58.940  -3.426  -3.639
  176    HA   PRO  25           HA       PRO  25  55.647  -4.398  -0.361
  177   1HB   PRO  25          2HB       PRO  25  57.747  -4.419   1.606
  178   2HB   PRO  25          1HB       PRO  25  56.705  -5.758   1.114
  179   1HG   PRO  25          2HG       PRO  25  59.486  -5.454   0.581
  180   2HG   PRO  25          1HG       PRO  25  58.411  -6.725  -0.011
  181   1HD   PRO  25          2HD       PRO  25  59.563  -4.492  -1.490
  182   2HD   PRO  25          1HD       PRO  25  58.625  -5.873  -2.114
  183    H    ALA  26           H        ALA  26  54.771  -2.595   0.654
  184    HA   ALA  26           HA       ALA  26  55.576   0.020   0.291
  185   1HB   ALA  26          1HB       ALA  26  54.537  -0.347   2.975
  186   2HB   ALA  26          2HB       ALA  26  53.718  -1.427   1.846
  187   3HB   ALA  26          3HB       ALA  26  53.723   0.312   1.556
  188    H    TYR  27           H        TYR  27  56.829   1.539   1.549
  189    HA   TYR  27           HA       TYR  27  59.276   0.511   2.642
  190   1HB   TYR  27          2HB       TYR  27  57.869   3.147   2.384
  191   2HB   TYR  27          1HB       TYR  27  59.300   3.057   3.406
  192    HD1  TYR  27           HD1      TYR  27  60.900   0.996   1.946
  193    HD2  TYR  27           HD2      TYR  27  58.622   4.330   0.479
  194    HE1  TYR  27           HE1      TYR  27  62.337   1.092  -0.071
  195    HE2  TYR  27           HE2      TYR  27  60.063   4.426  -1.537
  196    HH   TYR  27           HH       TYR  27  62.833   2.222  -1.920
  197    H    LYS  28           H        LYS  28  56.611   2.293   4.292
  198    HA   LYS  28           HA       LYS  28  57.505   1.982   6.935
  199   1HB   LYS  28          2HB       LYS  28  55.413   3.137   5.771
  200   2HB   LYS  28          1HB       LYS  28  54.603   1.651   6.269
  201   1HG   LYS  28          2HG       LYS  28  56.269   3.281   8.191
  202   2HG   LYS  28          1HG       LYS  28  54.553   3.604   7.940
  203   1HD   LYS  28          2HD       LYS  28  55.581   0.846   8.627
  204   2HD   LYS  28          1HD       LYS  28  55.141   2.017   9.868
  205   1HE   LYS  28          2HE       LYS  28  52.938   2.177   8.282
  206   2HE   LYS  28          1HE       LYS  28  53.389   0.479   8.033
  207   1HZ   LYS  28          1HZ       LYS  28  53.383   1.704  10.724
  208   2HZ   LYS  28          2HZ       LYS  28  53.361   0.055  10.313
  209   3HZ   LYS  28          3HZ       LYS  28  51.978   1.014  10.071
  210    H    ASP  29           H        ASP  29  55.355  -0.206   5.100
  211    HA   ASP  29           HA       ASP  29  55.012  -2.219   7.055
  212   1HB   ASP  29          2HB       ASP  29  55.022  -2.031   4.072
  213   2HB   ASP  29          1HB       ASP  29  55.017  -3.646   4.782
  214    H    VAL  30           H        VAL  30  57.621  -1.857   4.637
  215    HA   VAL  30           HA       VAL  30  59.069  -4.221   5.139
  216    HB   VAL  30           HB       VAL  30  59.810  -1.402   4.350
  217   1HG1  VAL  30          1HG1      VAL  30  61.973  -1.844   4.782
  218   2HG1  VAL  30          2HG1      VAL  30  61.892  -3.129   3.577
  219   3HG1  VAL  30          3HG1      VAL  30  61.586  -3.493   5.275
  220   1HG2  VAL  30          1HG2      VAL  30  58.608  -3.494   2.995
  221   2HG2  VAL  30          2HG2      VAL  30  60.301  -3.650   2.527
  222   3HG2  VAL  30          3HG2      VAL  30  59.442  -2.137   2.236
  223    H    ALA  31           H        ALA  31  58.991  -1.188   6.953
  224    HA   ALA  31           HA       ALA  31  61.184  -1.942   8.736
  225   1HB   ALA  31          1HB       ALA  31  60.157   0.385   7.938
  226   2HB   ALA  31          2HB       ALA  31  60.907   0.224   9.527
  227   3HB   ALA  31          3HB       ALA  31  59.151   0.161   9.369
  228    H    ALA  32           H        ALA  32  57.690  -2.271   8.700
  229    HA   ALA  32           HA       ALA  32  57.357  -2.756  11.535
  230   1HB   ALA  32          1HB       ALA  32  55.130  -3.054  10.930
  231   2HB   ALA  32          2HB       ALA  32  55.546  -3.887   9.433
  232   3HB   ALA  32          3HB       ALA  32  55.713  -2.136   9.541
  233    H    LYS  33           H        LYS  33  58.158  -4.773   8.764
  234    HA   LYS  33           HA       LYS  33  57.761  -7.288  10.235
  235   1HB   LYS  33          2HB       LYS  33  57.529  -6.651   7.669
  236   2HB   LYS  33          1HB       LYS  33  59.258  -7.013   7.648
  237   1HG   LYS  33          2HG       LYS  33  58.762  -9.203   7.539
  238   2HG   LYS  33          1HG       LYS  33  58.019  -9.083   9.135
  239   1HD   LYS  33          2HD       LYS  33  55.883  -8.423   8.107
  240   2HD   LYS  33          1HD       LYS  33  56.619  -8.509   6.506
  241   1HE   LYS  33          2HE       LYS  33  55.328 -10.584   7.094
  242   2HE   LYS  33          1HE       LYS  33  57.048 -10.915   6.807
  243   1HZ   LYS  33          1HZ       LYS  33  56.035 -10.219   9.496
  244   2HZ   LYS  33          2HZ       LYS  33  57.497 -10.978   9.079
  245   3HZ   LYS  33          3HZ       LYS  33  56.028 -11.824   8.948
  246    H    TYR  34           H        TYR  34  60.452  -5.245   9.145
  247    HA   TYR  34           HA       TYR  34  62.465  -7.081  10.284
  248   1HB   TYR  34          2HB       TYR  34  62.354  -4.599   8.621
  249   2HB   TYR  34          1HB       TYR  34  63.841  -4.906   9.524
  250    HD1  TYR  34           HD1      TYR  34  61.906  -5.756   6.614
  251    HD2  TYR  34           HD2      TYR  34  64.945  -7.214   9.278
  252    HE1  TYR  34           HE1      TYR  34  62.596  -7.426   4.915
  253    HE2  TYR  34           HE2      TYR  34  65.635  -8.884   7.578
  254    HH   TYR  34           HH       TYR  34  63.748  -9.522   4.765
  255    H    ALA  35           H        ALA  35  60.413  -4.709  11.483
  256    HA   ALA  35           HA       ALA  35  62.025  -3.128  13.196
  257   1HB   ALA  35          1HB       ALA  35  59.775  -3.295  14.590
  258   2HB   ALA  35          2HB       ALA  35  59.206  -4.159  13.162
  259   3HB   ALA  35          3HB       ALA  35  59.785  -2.499  13.017
  260    H    GLY  36           H        GLY  36  63.562  -4.054  14.533
  261   1HA   GLY  36          2HA       GLY  36  63.377  -5.131  16.926
  262   2HA   GLY  36          1HA       GLY  36  62.845  -6.540  16.006
  263    H    GLN  37           H        GLN  37  64.733  -5.696  13.773
  264    HA   GLN  37           HA       GLN  37  66.982  -7.324  14.558
  265   1HB   GLN  37          2HB       GLN  37  66.115  -5.635  12.251
  266   2HB   GLN  37          1HB       GLN  37  67.823  -6.066  12.338
  267   1HG   GLN  37          2HG       GLN  37  66.126  -8.353  12.930
  268   2HG   GLN  37          1HG       GLN  37  65.761  -7.675  11.342
  269   1HE2  GLN  37          1HE2      GLN  37  67.004  -8.636   9.739
  270   2HE2  GLN  37          2HE2      GLN  37  68.611  -9.177   9.934
  271    H    ALA  38           H        ALA  38  69.151  -6.634  15.008
  272    HA   ALA  38           HA       ALA  38  69.346  -3.979  16.276
  273   1HB   ALA  38          1HB       ALA  38  70.493  -6.600  16.530
  274   2HB   ALA  38          2HB       ALA  38  70.648  -5.230  17.629
  275   3HB   ALA  38          3HB       ALA  38  71.796  -5.433  16.305
  276    H    GLY  39           H        GLY  39  69.105  -3.939  13.385
  277   1HA   GLY  39          2HA       GLY  39  70.707  -2.033  12.436
  278   2HA   GLY  39          1HA       GLY  39  71.854  -3.373  12.428
  279    H    ALA  40           H        ALA  40  68.374  -3.399  11.654
  280    HA   ALA  40           HA       ALA  40  68.774  -5.053   9.318
  281   1HB   ALA  40          1HB       ALA  40  66.280  -3.863   9.097
  282   2HB   ALA  40          2HB       ALA  40  66.609  -3.754  10.827
  283   3HB   ALA  40          3HB       ALA  40  66.626  -5.323  10.022
  284    H    GLU  41           H        GLU  41  69.063  -1.671   9.863
  285    HA   GLU  41           HA       GLU  41  68.433  -0.848   7.121
  286   1HB   GLU  41          2HB       GLU  41  69.348   1.332   7.990
  287   2HB   GLU  41          1HB       GLU  41  68.083   0.656   9.015
  288   1HG   GLU  41          2HG       GLU  41  69.652  -0.102  10.634
  289   2HG   GLU  41          1HG       GLU  41  71.011   0.118   9.531
  290    H    ALA  42           H        ALA  42  71.312  -1.659   9.024
  291    HA   ALA  42           HA       ALA  42  73.288  -0.792   7.121
  292   1HB   ALA  42          1HB       ALA  42  74.747  -2.254   8.460
  293   2HB   ALA  42          2HB       ALA  42  73.337  -3.059   9.147
  294   3HB   ALA  42          3HB       ALA  42  73.659  -1.367   9.528
  295    H    TYR  43           H        TYR  43  71.771  -3.978   7.737
  296    HA   TYR  43           HA       TYR  43  73.022  -5.338   5.525
  297   1HB   TYR  43          2HB       TYR  43  71.734  -6.180   7.644
  298   2HB   TYR  43          1HB       TYR  43  70.280  -5.917   6.676
  299    HD1  TYR  43           HD1      TYR  43  72.209  -8.454   7.743
  300    HD2  TYR  43           HD2      TYR  43  70.951  -6.739   4.012
  301    HE1  TYR  43           HE1      TYR  43  72.553 -10.639   6.625
  302    HE2  TYR  43           HE2      TYR  43  71.299  -8.925   2.892
  303    HH   TYR  43           HH       TYR  43  72.951 -11.086   3.552
  304    H    LEU  44           H        LEU  44  69.877  -3.718   5.930
  305    HA   LEU  44           HA       LEU  44  68.846  -4.114   3.310
  306   1HB   LEU  44          2HB       LEU  44  68.610  -2.046   5.493
  307   2HB   LEU  44          1HB       LEU  44  67.787  -1.778   3.956
  308    HG   LEU  44           HG       LEU  44  67.498  -4.317   5.583
  309   1HD1  LEU  44          1HD1      LEU  44  65.702  -3.430   6.708
  310   2HD1  LEU  44          2HD1      LEU  44  65.293  -2.323   5.399
  311   3HD1  LEU  44          3HD1      LEU  44  66.624  -1.943   6.491
  312   1HD2  LEU  44          1HD2      LEU  44  67.002  -4.080   2.996
  313   2HD2  LEU  44          2HD2      LEU  44  65.542  -3.266   3.561
  314   3HD2  LEU  44          3HD2      LEU  44  65.864  -4.933   4.040
  315    H    ALA  45           H        ALA  45  71.456  -2.194   4.537
  316    HA   ALA  45           HA       ALA  45  71.622  -0.308   2.335
  317   1HB   ALA  45          1HB       ALA  45  73.309   0.564   3.627
  318   2HB   ALA  45          2HB       ALA  45  74.015  -1.021   3.941
  319   3HB   ALA  45          3HB       ALA  45  72.609  -0.485   4.860
  320    H    GLN  46           H        GLN  46  73.294  -3.360   3.182
  321    HA   GLN  46           HA       GLN  46  74.949  -3.294   0.777
  322   1HB   GLN  46          2HB       GLN  46  75.685  -5.459   1.580
  323   2HB   GLN  46          1HB       GLN  46  75.473  -4.415   2.984
  324   1HG   GLN  46          2HG       GLN  46  73.495  -5.486   3.644
  325   2HG   GLN  46          1HG       GLN  46  73.205  -6.153   2.037
  326   1HE2  GLN  46          1HE2      GLN  46  76.282  -6.238   3.871
  327   2HE2  GLN  46          2HE2      GLN  46  76.354  -7.940   3.973
  328    H    ARG  47           H        ARG  47  71.732  -4.346   1.521
  329    HA   ARG  47           HA       ARG  47  71.548  -6.102  -0.856
  330   1HB   ARG  47          2HB       ARG  47  69.759  -5.286   1.438
  331   2HB   ARG  47          1HB       ARG  47  69.112  -6.173   0.057
  332   1HG   ARG  47          2HG       ARG  47  71.591  -7.176   1.422
  333   2HG   ARG  47          1HG       ARG  47  70.014  -7.500   2.141
  334   1HD   ARG  47          2HD       ARG  47  69.360  -8.288  -0.280
  335   2HD   ARG  47          1HD       ARG  47  71.115  -8.452  -0.494
  336    HE   ARG  47           HE       ARG  47  71.033 -10.301   0.966
  337   1HH1  ARG  47          1HH1      ARG  47  68.339  -8.193   1.440
  338   2HH1  ARG  47          2HH1      ARG  47  67.591  -9.205   2.627
  339   1HH2  ARG  47          1HH2      ARG  47  70.064 -11.631   2.512
  340   2HH2  ARG  47          2HH2      ARG  47  68.565 -11.150   3.234
  341    H    ILE  48           H        ILE  48  71.047  -2.817   0.037
  342    HA   ILE  48           HA       ILE  48  69.081  -2.240  -2.082
  343    HB   ILE  48           HB       ILE  48  70.585  -0.715   0.042
  344   1HG1  ILE  48          2HG1      ILE  48  67.618  -0.811  -0.534
  345   2HG1  ILE  48          1HG1      ILE  48  68.414  -2.061   0.420
  346   1HG2  ILE  48          1HG2      ILE  48  69.280   0.339  -2.427
  347   2HG2  ILE  48          2HG2      ILE  48  70.625   1.001  -1.499
  348   3HG2  ILE  48          3HG2      ILE  48  68.971   1.201  -0.921
  349   1HD1  ILE  48          1HD1      ILE  48  69.339   0.420   1.423
  350   2HD1  ILE  48          2HD1      ILE  48  68.263  -0.726   2.222
  351   3HD1  ILE  48          3HD1      ILE  48  67.593   0.577   1.240
  352    H    LYS  49           H        LYS  49  72.564  -1.961  -1.510
  353    HA   LYS  49           HA       LYS  49  73.032  -0.384  -3.940
  354   1HB   LYS  49          2HB       LYS  49  74.376  -1.094  -1.542
  355   2HB   LYS  49          1HB       LYS  49  75.361  -1.705  -2.871
  356   1HG   LYS  49          2HG       LYS  49  74.609   0.789  -3.787
  357   2HG   LYS  49          1HG       LYS  49  74.836   1.068  -2.060
  358   1HD   LYS  49          2HD       LYS  49  77.078   0.878  -2.234
  359   2HD   LYS  49          1HD       LYS  49  76.945  -0.612  -3.167
  360   1HE   LYS  49          2HE       LYS  49  76.455   0.741  -5.211
  361   2HE   LYS  49          1HE       LYS  49  76.712   2.217  -4.258
  362   1HZ   LYS  49          1HZ       LYS  49  78.705   0.032  -4.283
  363   2HZ   LYS  49          2HZ       LYS  49  78.920   1.655  -3.832
  364   3HZ   LYS  49          3HZ       LYS  49  78.724   1.244  -5.469
  365    H    ASN  50           H        ASN  50  72.808  -3.761  -3.105
  366    HA   ASN  50           HA       ASN  50  73.932  -4.491  -5.791
  367   1HB   ASN  50          2HB       ASN  50  73.635  -6.238  -3.336
  368   2HB   ASN  50          1HB       ASN  50  74.621  -6.551  -4.763
  369   1HD2  ASN  50          1HD2      ASN  50  76.791  -6.160  -4.371
  370   2HD2  ASN  50          2HD2      ASN  50  77.402  -4.952  -3.333
  371    H    GLY  51           H        GLY  51  71.088  -4.368  -3.895
  372   1HA   GLY  51          2HA       GLY  51  68.907  -5.169  -4.286
  373   2HA   GLY  51          1HA       GLY  51  69.423  -5.414  -5.956
  374    H    SER  52           H        SER  52  67.699  -7.306  -4.595
  375    HA   SER  52           HA       SER  52  69.178  -9.747  -5.112
  376   1HB   SER  52          2HB       SER  52  70.104  -8.624  -2.902
  377   2HB   SER  52          1HB       SER  52  68.691  -9.381  -2.178
  378    HG   SER  52           HG       SER  52  71.014 -10.488  -3.035
  379    H    GLN  53           H        GLN  53  67.970 -11.725  -4.498
  380    HA   GLN  53           HA       GLN  53  65.033 -11.209  -4.279
  381   1HB   GLN  53          2HB       GLN  53  64.883 -12.756  -5.934
  382   2HB   GLN  53          1HB       GLN  53  66.636 -12.703  -6.043
  383   1HG   GLN  53          2HG       GLN  53  65.041 -14.588  -4.276
  384   2HG   GLN  53          1HG       GLN  53  65.818 -15.017  -5.794
  385   1HE2  GLN  53          1HE2      GLN  53  68.318 -14.067  -5.735
  386   2HE2  GLN  53          2HE2      GLN  53  69.172 -14.552  -4.341
  387    H    GLY  54           H        GLY  54  63.985 -13.399  -3.233
  388   1HA   GLY  54          2HA       GLY  54  63.761 -14.738  -1.309
  389   2HA   GLY  54          1HA       GLY  54  65.507 -14.601  -1.080
  390    H    VAL  55           H        VAL  55  63.744 -11.680  -1.479
  391    HA   VAL  55           HA       VAL  55  64.311 -10.953   1.348
  392    HB   VAL  55           HB       VAL  55  63.392  -9.338  -1.055
  393   1HG1  VAL  55          1HG1      VAL  55  64.906  -8.161   1.220
  394   2HG1  VAL  55          2HG1      VAL  55  63.216  -8.570   1.512
  395   3HG1  VAL  55          3HG1      VAL  55  63.642  -7.449   0.222
  396   1HG2  VAL  55          1HG2      VAL  55  65.679 -10.589  -1.123
  397   2HG2  VAL  55          2HG2      VAL  55  66.184  -9.399   0.078
  398   3HG2  VAL  55          3HG2      VAL  55  65.652  -8.870  -1.518
  399    H    TRP  56           H        TRP  56  61.679 -10.077  -0.893
  400    HA   TRP  56           HA       TRP  56  59.722 -10.565   1.319
  401   1HB   TRP  56          2HB       TRP  56  59.832  -8.655  -1.033
  402   2HB   TRP  56          1HB       TRP  56  58.420  -8.837   0.004
  403    HD1  TRP  56           HD1      TRP  56  61.831  -7.280  -0.147
  404    HE1  TRP  56           HE1      TRP  56  62.268  -5.917   1.997
  405    HE3  TRP  56           HE3      TRP  56  57.847  -8.777   2.675
  406    HZ2  TRP  56           HZ2      TRP  56  61.082  -5.513   4.567
  407    HZ3  TRP  56           HZ3      TRP  56  57.526  -7.887   4.966
  408    HH2  TRP  56           HH2      TRP  56  59.136  -6.258   5.913
  409    H    GLY  57           H        GLY  57  60.363 -10.891  -2.151
  410   1HA   GLY  57          2HA       GLY  57  58.633 -13.265  -2.275
  411   2HA   GLY  57          1HA       GLY  57  58.090 -11.900  -3.253
  412    HA   PRO  58           HA       PRO  58  61.126 -14.443  -5.730
  413   1HB   PRO  58          2HB       PRO  58  59.228 -14.313  -7.885
  414   2HB   PRO  58          1HB       PRO  58  59.710 -15.729  -6.946
  415   1HG   PRO  58          2HG       PRO  58  57.192 -14.414  -6.889
  416   2HG   PRO  58          1HG       PRO  58  57.733 -15.728  -5.839
  417   1HD   PRO  58          2HD       PRO  58  57.394 -12.890  -5.196
  418   2HD   PRO  58          1HD       PRO  58  57.690 -14.257  -4.093
  419    H    ILE  59           H        ILE  59  60.173 -11.300  -5.604
  420    HA   ILE  59           HA       ILE  59  61.276 -10.592  -8.292
  421    HB   ILE  59           HB       ILE  59  59.753  -8.874  -6.311
  422   1HG1  ILE  59          2HG1      ILE  59  58.731 -10.604  -8.588
  423   2HG1  ILE  59          1HG1      ILE  59  58.344 -10.779  -6.875
  424   1HG2  ILE  59          1HG2      ILE  59  59.813  -7.260  -7.909
  425   2HG2  ILE  59          2HG2      ILE  59  59.535  -8.415  -9.213
  426   3HG2  ILE  59          3HG2      ILE  59  61.162  -8.184  -8.572
  427   1HD1  ILE  59          1HD1      ILE  59  56.858  -9.326  -8.699
  428   2HD1  ILE  59          2HD1      ILE  59  57.821  -8.079  -7.909
  429   3HD1  ILE  59          3HD1      ILE  59  56.787  -9.134  -6.947
  430    HA   PRO  60           HA       PRO  60  64.740  -9.678  -5.332
  431   1HB   PRO  60          2HB       PRO  60  66.411  -9.762  -7.673
  432   2HB   PRO  60          1HB       PRO  60  66.360 -10.906  -6.338
  433   1HG   PRO  60          2HG       PRO  60  65.385 -11.265  -9.022
  434   2HG   PRO  60          1HG       PRO  60  65.378 -12.434  -7.699
  435   1HD   PRO  60          2HD       PRO  60  63.118 -11.076  -8.827
  436   2HD   PRO  60          1HD       PRO  60  63.135 -12.161  -7.415
  437    H    MET  61           H        MET  61  65.402  -7.575  -4.965
  438    HA   MET  61           HA       MET  61  64.562  -5.431  -6.721
  439   1HB   MET  61          2HB       MET  61  64.701  -5.126  -4.343
  440   2HB   MET  61          1HB       MET  61  66.374  -5.675  -4.305
  441   1HG   MET  61          2HG       MET  61  67.112  -3.727  -5.535
  442   2HG   MET  61          1HG       MET  61  65.444  -3.208  -5.799
  443   1HE   MET  61          1HE       MET  61  67.214  -4.821  -2.791
  444   2HE   MET  61          2HE       MET  61  67.587  -3.456  -1.742
  445   3HE   MET  61          3HE       MET  61  68.391  -3.603  -3.301
  446    HA   PRO  62           HA       PRO  62  68.182  -5.692  -9.362
  447   1HB   PRO  62          2HB       PRO  62  67.627  -3.048 -10.348
  448   2HB   PRO  62          1HB       PRO  62  67.292  -4.590 -11.141
  449   1HG   PRO  62          2HG       PRO  62  65.397  -2.766 -10.034
  450   2HG   PRO  62          1HG       PRO  62  65.077  -4.351 -10.745
  451   1HD   PRO  62          2HD       PRO  62  64.993  -3.579  -7.938
  452   2HD   PRO  62          1HD       PRO  62  64.531  -5.135  -8.674
  453    HA   PRO  63           HA       PRO  63  70.980  -3.470  -6.697
  454   1HB   PRO  63          2HB       PRO  63  73.009  -3.456  -8.734
  455   2HB   PRO  63          1HB       PRO  63  72.885  -4.518  -7.328
  456   1HG   PRO  63          2HG       PRO  63  72.433  -5.184 -10.092
  457   2HG   PRO  63          1HG       PRO  63  72.348  -6.248  -8.685
  458   1HD   PRO  63          2HD       PRO  63  70.163  -5.270 -10.279
  459   2HD   PRO  63          1HD       PRO  63  70.072  -6.292  -8.824
  460    H    ASN  64           H        ASN  64  71.299  -1.254  -6.429
  461    HA   ASN  64           HA       ASN  64  70.763   0.482  -8.806
  462   1HB   ASN  64          2HB       ASN  64  70.626   1.038  -5.824
  463   2HB   ASN  64          1HB       ASN  64  70.063   2.112  -7.109
  464   1HD2  ASN  64          1HD2      ASN  64  69.534  -1.222  -5.841
  465   2HD2  ASN  64          2HD2      ASN  64  67.886  -1.282  -6.276
  466    H    ALA  65           H        ALA  65  71.831   2.822  -8.187
  467    HA   ALA  65           HA       ALA  65  74.753   2.277  -7.804
  468   1HB   ALA  65          1HB       ALA  65  73.954   3.045 -10.044
  469   2HB   ALA  65          2HB       ALA  65  75.052   4.205  -9.295
  470   3HB   ALA  65          3HB       ALA  65  73.314   4.502  -9.285
  471    H    VAL  66           H        VAL  66  72.907   2.757  -5.593
  472    HA   VAL  66           HA       VAL  66  73.192   5.555  -4.768
  473    HB   VAL  66           HB       VAL  66  72.140   4.607  -2.678
  474   1HG1  VAL  66          1HG1      VAL  66  70.751   5.386  -4.559
  475   2HG1  VAL  66          2HG1      VAL  66  70.017   3.980  -3.787
  476   3HG1  VAL  66          3HG1      VAL  66  70.875   3.798  -5.316
  477   1HG2  VAL  66          1HG2      VAL  66  72.375   2.403  -2.272
  478   2HG2  VAL  66          2HG2      VAL  66  73.172   2.186  -3.829
  479   3HG2  VAL  66          3HG2      VAL  66  71.418   2.049  -3.710
  480    H    SER  67           H        SER  67  75.184   6.268  -4.074
  481    HA   SER  67           HA       SER  67  77.449   4.791  -3.408
  482   1HB   SER  67          2HB       SER  67  76.474   7.465  -3.179
  483   2HB   SER  67          1HB       SER  67  77.251   7.054  -1.654
  484    HG   SER  67           HG       SER  67  79.059   6.341  -2.918
  485    H    ASP  68           H        ASP  68  78.400   4.690  -1.045
  486    HA   ASP  68           HA       ASP  68  76.815   2.893   0.508
  487   1HB   ASP  68          2HB       ASP  68  78.639   3.155   2.127
  488   2HB   ASP  68          1HB       ASP  68  79.304   3.115   0.494
  489    H    ASP  69           H        ASP  69  77.406   6.395   0.871
  490    HA   ASP  69           HA       ASP  69  75.907   6.654   3.331
  491   1HB   ASP  69          2HB       ASP  69  76.289   8.995   2.978
  492   2HB   ASP  69          1HB       ASP  69  77.705   8.172   2.318
  493    H    GLU  70           H        GLU  70  75.015   6.545  -0.051
  494    HA   GLU  70           HA       GLU  70  72.398   7.803   0.338
  495   1HB   GLU  70          2HB       GLU  70  74.116   6.849  -1.806
  496   2HB   GLU  70          1HB       GLU  70  72.445   6.340  -2.057
  497   1HG   GLU  70          2HG       GLU  70  71.671   8.498  -2.272
  498   2HG   GLU  70          1HG       GLU  70  72.892   9.155  -1.184
  499    H    ALA  71           H        ALA  71  73.674   4.501   0.097
  500    HA   ALA  71           HA       ALA  71  71.042   3.237   0.141
  501   1HB   ALA  71          1HB       ALA  71  73.798   2.560  -0.249
  502   2HB   ALA  71          2HB       ALA  71  72.387   1.543  -0.540
  503   3HB   ALA  71          3HB       ALA  71  73.172   1.531   1.040
  504    H    GLN  72           H        GLN  72  73.413   4.317   2.487
  505    HA   GLN  72           HA       GLN  72  72.318   2.868   4.760
  506   1HB   GLN  72          2HB       GLN  72  74.361   4.934   4.152
  507   2HB   GLN  72          1HB       GLN  72  73.683   5.002   5.780
  508   1HG   GLN  72          2HG       GLN  72  74.106   2.413   5.769
  509   2HG   GLN  72          1HG       GLN  72  75.240   2.790   4.471
  510   1HE2  GLN  72          1HE2      GLN  72  76.986   4.409   5.005
  511   2HE2  GLN  72          2HE2      GLN  72  77.511   4.549   6.622
  512    H    THR  73           H        THR  73  72.018   6.135   3.413
  513    HA   THR  73           HA       THR  73  70.145   7.068   5.433
  514    HB   THR  73           HB       THR  73  70.855   8.025   2.636
  515    HG1  THR  73           HG1      THR  73  71.675   9.286   4.978
  516   1HG2  THR  73          1HG2      THR  73  70.021  10.139   4.339
  517   2HG2  THR  73          2HG2      THR  73  68.804   8.868   4.456
  518   3HG2  THR  73          3HG2      THR  73  69.225   9.545   2.883
  519    H    LEU  74           H        LEU  74  69.982   5.280   2.449
  520    HA   LEU  74           HA       LEU  74  67.153   5.727   1.914
  521   1HB   LEU  74          2HB       LEU  74  69.354   3.898   0.978
  522   2HB   LEU  74          1HB       LEU  74  67.691   3.543   0.515
  523    HG   LEU  74           HG       LEU  74  68.942   6.269   0.119
  524   1HD1  LEU  74          1HD1      LEU  74  70.178   5.343  -1.529
  525   2HD1  LEU  74          2HD1      LEU  74  68.659   5.041  -2.373
  526   3HD1  LEU  74          3HD1      LEU  74  69.365   3.787  -1.352
  527   1HD2  LEU  74          1HD2      LEU  74  66.927   5.622  -1.774
  528   2HD2  LEU  74          2HD2      LEU  74  66.833   6.803  -0.468
  529   3HD2  LEU  74          3HD2      LEU  74  66.310   5.141  -0.194
  530    H    ALA  75           H        ALA  75  69.075   3.367   3.716
  531    HA   ALA  75           HA       ALA  75  66.897   1.516   4.223
  532   1HB   ALA  75          1HB       ALA  75  69.614   2.060   5.452
  533   2HB   ALA  75          2HB       ALA  75  69.174   0.760   4.343
  534   3HB   ALA  75          3HB       ALA  75  68.574   0.746   6.001
  535    H    LYS  76           H        LYS  76  68.514   4.031   6.210
  536    HA   LYS  76           HA       LYS  76  66.692   3.801   8.439
  537   1HB   LYS  76          2HB       LYS  76  67.721   6.079   8.964
  538   2HB   LYS  76          1HB       LYS  76  68.884   4.776   8.708
  539   1HG   LYS  76          2HG       LYS  76  69.807   5.905   6.999
  540   2HG   LYS  76          1HG       LYS  76  68.250   5.953   6.170
  541   1HD   LYS  76          2HD       LYS  76  68.618   8.222   6.446
  542   2HD   LYS  76          1HD       LYS  76  67.759   7.870   7.946
  543   1HE   LYS  76          2HE       LYS  76  70.321   7.290   8.698
  544   2HE   LYS  76          1HE       LYS  76  70.598   8.608   7.542
  545   1HZ   LYS  76          1HZ       LYS  76  70.129   9.656   9.581
  546   2HZ   LYS  76          2HZ       LYS  76  68.833   8.611   9.924
  547   3HZ   LYS  76          3HZ       LYS  76  68.692   9.770   8.689
  548    H    TRP  77           H        TRP  77  66.572   5.407   5.353
  549    HA   TRP  77           HA       TRP  77  64.494   7.334   6.026
  550   1HB   TRP  77          2HB       TRP  77  65.996   7.763   4.193
  551   2HB   TRP  77          1HB       TRP  77  65.658   6.186   3.472
  552    HD1  TRP  77           HD1      TRP  77  63.783   9.448   4.349
  553    HE1  TRP  77           HE1      TRP  77  61.926   9.805   2.596
  554    HE3  TRP  77           HE3      TRP  77  64.330   5.180   1.602
  555    HZ2  TRP  77           HZ2      TRP  77  60.820   8.460   0.330
  556    HZ3  TRP  77           HZ3      TRP  77  62.863   4.744  -0.346
  557    HH2  TRP  77           HH2      TRP  77  61.110   6.377  -0.986
  558    H    ILE  78           H        ILE  78  64.611   4.071   4.635
  559    HA   ILE  78           HA       ILE  78  61.846   3.887   3.876
  560    HB   ILE  78           HB       ILE  78  63.974   1.873   4.664
  561   1HG1  ILE  78          2HG1      ILE  78  62.891   2.182   1.897
  562   2HG1  ILE  78          1HG1      ILE  78  63.967   3.445   2.489
  563   1HG2  ILE  78          1HG2      ILE  78  62.173   0.486   4.908
  564   2HG2  ILE  78          2HG2      ILE  78  62.238   0.452   3.146
  565   3HG2  ILE  78          3HG2      ILE  78  61.109   1.531   3.965
  566   1HD1  ILE  78          1HD1      ILE  78  65.231   1.109   3.285
  567   2HD1  ILE  78          2HD1      ILE  78  65.663   2.083   1.880
  568   3HD1  ILE  78          3HD1      ILE  78  64.584   0.701   1.696
  569    H    LEU  79           H        LEU  79  63.587   2.863   6.828
  570    HA   LEU  79           HA       LEU  79  61.189   1.929   8.178
  571   1HB   LEU  79          2HB       LEU  79  64.062   2.507   8.881
  572   2HB   LEU  79          1HB       LEU  79  62.907   2.105  10.151
  573    HG   LEU  79           HG       LEU  79  62.474   0.238   8.069
  574   1HD1  LEU  79          1HD1      LEU  79  65.393   0.267   8.851
  575   2HD1  LEU  79          2HD1      LEU  79  64.821   1.038   7.371
  576   3HD1  LEU  79          3HD1      LEU  79  64.606  -0.697   7.601
  577   1HD2  LEU  79          1HD2      LEU  79  62.290  -0.962   9.969
  578   2HD2  LEU  79          2HD2      LEU  79  63.046   0.343  10.883
  579   3HD2  LEU  79          3HD2      LEU  79  64.044  -0.914  10.150
  580    H    SER  80           H        SER  80  62.531   5.032   7.601
  581    HA   SER  80           HA       SER  80  61.169   6.224   9.975
  582   1HB   SER  80          2HB       SER  80  62.559   8.159   9.449
  583   2HB   SER  80          1HB       SER  80  63.568   6.715   9.428
  584    HG   SER  80           HG       SER  80  63.201   8.464   7.496
  585    H    GLN  81           H        GLN  81  60.561   5.564   6.717
  586    HA   GLN  81           HA       GLN  81  59.415   7.719   5.477
  587   1HB   GLN  81          2HB       GLN  81  58.686   4.842   5.798
  588   2HB   GLN  81          1HB       GLN  81  57.515   5.885   4.992
  589   1HG   GLN  81          2HG       GLN  81  60.426   5.540   4.215
  590   2HG   GLN  81          1HG       GLN  81  59.033   4.909   3.335
  591   1HE2  GLN  81          1HE2      GLN  81  60.891   7.820   4.035
  592   2HE2  GLN  81          2HE2      GLN  81  60.065   8.832   2.938
  593    H    LYS  82           H        LYS  82  57.811   5.846   8.084
  594    HA   LYS  82           HA       LYS  82  56.338   8.259   8.920
  595   1HB   LYS  82          2HB       LYS  82  54.962   7.496   7.087
  596   2HB   LYS  82          1HB       LYS  82  55.036   5.828   7.658
  597   1HG   LYS  82          2HG       LYS  82  53.325   6.155   9.090
  598   2HG   LYS  82          1HG       LYS  82  54.066   7.620   9.735
  599   1HD   LYS  82          2HD       LYS  82  52.699   8.935   8.517
  600   2HD   LYS  82          1HD       LYS  82  53.084   8.055   7.037
  601   1HE   LYS  82          2HE       LYS  82  51.478   6.239   7.831
  602   2HE   LYS  82          1HE       LYS  82  50.948   7.380   9.083
  603   1HZ   LYS  82          1HZ       LYS  82  49.582   8.041   7.406
  604   2HZ   LYS  82          2HZ       LYS  82  50.641   7.533   6.179
  605   3HZ   LYS  82          3HZ       LYS  82  50.930   8.988   7.004
  606    HHA  HEM  83           HHA      HEM  83  62.981  -4.999  -1.102
  607    HHB  HEM  83           HHB      HEM  83  65.526   0.798  -0.248
  608    HHC  HEM  83           HHC      HEM  83  64.679   1.904  -6.417
  609    HHD  HEM  83           HHD      HEM  83  61.301  -3.374  -6.920
  610   1HMA  HEM  83          1HMA      HEM  83  64.968  -1.511   2.382
  611   2HMA  HEM  83          2HMA      HEM  83  66.049  -0.445   1.483
  612   3HMA  HEM  83          3HMA      HEM  83  66.538  -2.101   1.841
  613   1HAA  HEM  83          1HAA      HEM  83  64.074  -4.856   1.222
  614   2HAA  HEM  83          2HAA      HEM  83  65.724  -4.295   1.487
  615   1HBA  HEM  83          1HBA      HEM  83  65.930  -5.017  -1.105
  616   2HBA  HEM  83          2HBA      HEM  83  64.650  -6.125  -0.609
  617    H2A  HEM  83          3HBB      HEM  83  67.595   3.497  -6.340
  618   1HMB  HEM  83          1HMB      HEM  83  67.190   3.615  -2.111
  619   2HMB  HEM  83          2HMB      HEM  83  66.851   2.470  -0.814
  620   3HMB  HEM  83          3HMB      HEM  83  65.665   3.707  -1.229
  621    HAB  HEM  83           HAB      HEM  83  65.443   3.428  -5.744
  622   1HBB  HEM  83          1HBB      HEM  83  67.887   2.348  -5.034
  623   2HBB  HEM  83          2HBB      HEM  83  68.095   4.077  -4.751
  624   1HMC  HEM  83          1HMC      HEM  83  64.435   1.602  -8.477
  625   2HMC  HEM  83          2HMC      HEM  83  62.831   1.378  -9.176
  626   3HMC  HEM  83          3HMC      HEM  83  64.151   0.298  -9.630
  627    HAC  HEM  83           HAC      HEM  83  61.129  -2.504  -8.555
  628   1HBC  HEM  83          1HBC      HEM  83  62.107  -0.908 -10.811
  629   2HBC  HEM  83          2HBC      HEM  83  61.925  -2.656 -10.654
  630   1HMD  HEM  83          1HMD      HEM  83  61.270  -6.403  -6.219
  631   2HMD  HEM  83          2HMD      HEM  83  60.114  -5.080  -6.384
  632   3HMD  HEM  83          3HMD      HEM  83  59.886  -6.301  -5.131
  633   1HAD  HEM  83          1HAD      HEM  83  60.360  -6.762  -3.035
  634   2HAD  HEM  83          2HAD      HEM  83  61.363  -6.303  -1.666
  635   1HBD  HEM  83          1HBD      HEM  83  62.886  -7.893  -2.145
  636   2HBD  HEM  83          2HBD      HEM  83  62.962  -7.405  -3.839
  637    H2D  HEM  83          3HBC      HEM  83  63.358  -1.857 -10.009
  Start of MODEL   16
    1   1H    GLU   1          1H        GLU   1  69.645  17.714   2.042
    2   2H    GLU   1          2H        GLU   1  71.257  17.823   1.519
    3   3H    GLU   1          3H        GLU   1  70.894  17.111   3.018
    4    HA   GLU   1           HA       GLU   1  70.314  16.030   0.312
    5   1HB   GLU   1          2HB       GLU   1  72.562  15.684   1.114
    6   2HB   GLU   1          1HB       GLU   1  71.981  15.250   2.722
    7   1HG   GLU   1          2HG       GLU   1  71.567  13.111   2.110
    8   2HG   GLU   1          1HG       GLU   1  70.807  13.605   0.597
    9    H    ASP   2           H        ASP   2  67.942  16.169   0.932
   10    HA   ASP   2           HA       ASP   2  66.973  14.614   3.199
   11   1HB   ASP   2          2HB       ASP   2  65.995  16.372   1.089
   12   2HB   ASP   2          1HB       ASP   2  64.915  15.001   1.337
   13    HA   PRO   3           HA       PRO   3  67.155  10.630   1.263
   14   1HB   PRO   3          2HB       PRO   3  64.857   9.711   2.727
   15   2HB   PRO   3          1HB       PRO   3  66.560   9.399   3.076
   16   1HG   PRO   3          2HG       PRO   3  64.756  11.079   4.535
   17   2HG   PRO   3          1HG       PRO   3  66.469  10.795   4.857
   18   1HD   PRO   3          2HD       PRO   3  65.223  13.186   3.797
   19   2HD   PRO   3          1HD       PRO   3  66.944  12.918   4.174
   20    H    GLU   4           H        GLU   4  64.138  12.444   1.462
   21    HA   GLU   4           HA       GLU   4  62.686  10.828  -0.465
   22   1HB   GLU   4          2HB       GLU   4  61.099  12.698  -0.343
   23   2HB   GLU   4          1HB       GLU   4  61.691  12.323   1.275
   24   1HG   GLU   4          2HG       GLU   4  63.262  14.164   1.193
   25   2HG   GLU   4          1HG       GLU   4  62.865  14.483  -0.495
   26    H    VAL   5           H        VAL   5  64.793  13.670  -0.631
   27    HA   VAL   5           HA       VAL   5  64.252  14.283  -3.413
   28    HB   VAL   5           HB       VAL   5  66.433  14.960  -1.427
   29   1HG1  VAL   5          1HG1      VAL   5  66.398  15.285  -4.329
   30   2HG1  VAL   5          2HG1      VAL   5  67.715  15.562  -3.189
   31   3HG1  VAL   5          3HG1      VAL   5  66.529  16.832  -3.493
   32   1HG2  VAL   5          1HG2      VAL   5  65.299  17.265  -1.820
   33   2HG2  VAL   5          2HG2      VAL   5  64.432  16.075  -0.850
   34   3HG2  VAL   5          3HG2      VAL   5  63.984  16.332  -2.537
   35    H    LEU   6           H        LEU   6  66.902  12.566  -1.732
   36    HA   LEU   6           HA       LEU   6  68.242  11.845  -4.211
   37   1HB   LEU   6          2HB       LEU   6  69.672  10.571  -2.717
   38   2HB   LEU   6          1HB       LEU   6  69.277  12.094  -1.922
   39    HG   LEU   6           HG       LEU   6  67.296  10.763  -0.876
   40   1HD1  LEU   6          1HD1      LEU   6  68.754   8.325  -0.713
   41   2HD1  LEU   6          2HD1      LEU   6  68.618   8.733  -2.423
   42   3HD1  LEU   6          3HD1      LEU   6  67.166   8.584  -1.433
   43   1HD2  LEU   6          1HD2      LEU   6  68.958   9.813   0.865
   44   2HD2  LEU   6          2HD2      LEU   6  69.016  11.549   0.556
   45   3HD2  LEU   6          3HD2      LEU   6  70.221  10.483  -0.169
   46    H    ALA   7           H        ALA   7  65.639  10.551  -2.319
   47    HA   ALA   7           HA       ALA   7  65.735   7.813  -3.220
   48   1HB   ALA   7          1HB       ALA   7  63.799   9.696  -1.931
   49   2HB   ALA   7          2HB       ALA   7  64.383   8.134  -1.361
   50   3HB   ALA   7          3HB       ALA   7  63.149   8.208  -2.619
   51    H    LYS   8           H        LYS   8  64.089  10.745  -4.412
   52    HA   LYS   8           HA       LYS   8  62.692   9.427  -6.576
   53   1HB   LYS   8          2HB       LYS   8  62.685  11.877  -5.324
   54   2HB   LYS   8          1HB       LYS   8  63.439  12.267  -6.869
   55   1HG   LYS   8          2HG       LYS   8  61.073  10.500  -7.044
   56   2HG   LYS   8          1HG       LYS   8  60.741  12.141  -6.491
   57   1HD   LYS   8          2HD       LYS   8  61.124  13.017  -8.540
   58   2HD   LYS   8          1HD       LYS   8  62.604  12.078  -8.746
   59   1HE   LYS   8          2HE       LYS   8  61.210  11.186 -10.425
   60   2HE   LYS   8          1HE       LYS   8  60.931  10.059  -9.082
   61   1HZ   LYS   8          1HZ       LYS   8  59.014  11.273  -8.417
   62   2HZ   LYS   8          2HZ       LYS   8  58.858  10.989 -10.085
   63   3HZ   LYS   8          3HZ       LYS   8  59.330  12.521  -9.522
   64    H    ASN   9           H        ASN   9  65.766  11.238  -6.361
   65    HA   ASN   9           HA       ASN   9  66.431  11.157  -9.144
   66   1HB   ASN   9          2HB       ASN   9  68.367  11.066  -6.820
   67   2HB   ASN   9          1HB       ASN   9  68.579  11.868  -8.375
   68   1HD2  ASN   9          1HD2      ASN   9  65.588  12.747  -8.110
   69   2HD2  ASN   9          2HD2      ASN   9  65.673  14.091  -7.066
   70    H    LYS  10           H        LYS  10  66.703   8.723  -6.611
   71    HA   LYS  10           HA       LYS  10  68.459   7.022  -8.286
   72   1HB   LYS  10          2HB       LYS  10  67.246   6.766  -5.517
   73   2HB   LYS  10          1HB       LYS  10  68.335   5.571  -6.229
   74   1HG   LYS  10          2HG       LYS  10  68.987   8.493  -5.732
   75   2HG   LYS  10          1HG       LYS  10  69.601   7.124  -4.804
   76   1HD   LYS  10          2HD       LYS  10  70.626   6.222  -6.897
   77   2HD   LYS  10          1HD       LYS  10  70.107   7.681  -7.740
   78   1HE   LYS  10          2HE       LYS  10  71.435   9.056  -6.139
   79   2HE   LYS  10          1HE       LYS  10  72.013   7.561  -5.376
   80   1HZ   LYS  10          1HZ       LYS  10  72.201   7.983  -8.298
   81   2HZ   LYS  10          2HZ       LYS  10  73.050   6.872  -7.333
   82   3HZ   LYS  10          3HZ       LYS  10  73.422   8.528  -7.255
   83    H    GLY  11           H        GLY  11  65.114   7.525  -7.749
   84   1HA   GLY  11          2HA       GLY  11  63.364   6.450  -8.966
   85   2HA   GLY  11          1HA       GLY  11  64.490   5.167  -9.404
   86    H    CYS  12           H        CYS  12  64.622   5.902  -6.082
   87    HA   CYS  12           HA       CYS  12  63.685   3.301  -5.298
   88   1HB   CYS  12          2HB       CYS  12  63.894   5.832  -3.641
   89   2HB   CYS  12          1HB       CYS  12  64.019   4.172  -3.059
   90    H    MET  13           H        MET  13  61.977   6.195  -6.062
   91    HA   MET  13           HA       MET  13  59.597   5.385  -4.469
   92   1HB   MET  13          2HB       MET  13  60.482   7.830  -6.013
   93   2HB   MET  13          1HB       MET  13  58.827   7.663  -5.421
   94   1HG   MET  13          2HG       MET  13  60.239   6.992  -3.184
   95   2HG   MET  13          1HG       MET  13  61.325   8.171  -3.921
   96   1HE   MET  13          1HE       MET  13  58.666   7.197  -2.062
   97   2HE   MET  13          2HE       MET  13  57.238   8.157  -2.442
   98   3HE   MET  13          3HE       MET  13  58.316   8.668  -1.144
   99    H    ALA  14           H        ALA  14  60.793   4.377  -7.291
  100    HA   ALA  14           HA       ALA  14  58.452   4.788  -9.024
  101   1HB   ALA  14          1HB       ALA  14  60.783   2.936  -9.495
  102   2HB   ALA  14          2HB       ALA  14  60.977   4.683  -9.627
  103   3HB   ALA  14          3HB       ALA  14  59.845   3.840 -10.682
  104    H    CYS  15           H        CYS  15  60.105   2.001  -7.526
  105    HA   CYS  15           HA       CYS  15  57.759   0.274  -8.110
  106   1HB   CYS  15          2HB       CYS  15  60.507  -0.241  -6.935
  107   2HB   CYS  15          1HB       CYS  15  59.342  -1.489  -7.371
  108    H    HIS  16           H        HIS  16  59.205   2.037  -5.487
  109    HA   HIS  16           HA       HIS  16  57.784   0.371  -3.466
  110   1HB   HIS  16          2HB       HIS  16  60.101   2.235  -3.570
  111   2HB   HIS  16          1HB       HIS  16  59.208   2.149  -2.048
  112    HD1  HIS  16           HD1      HIS  16  58.552  -0.683  -1.646
  113    HD2  HIS  16           HD2      HIS  16  62.174   0.430  -3.399
  114    HE1  HIS  16           HE1      HIS  16  60.131  -2.635  -1.325
  115    H    ALA  17           H        ALA  17  56.933   1.697  -1.581
  116    HA   ALA  17           HA       ALA  17  55.793   4.340  -2.207
  117   1HB   ALA  17          1HB       ALA  17  54.428   2.018  -2.920
  118   2HB   ALA  17          2HB       ALA  17  53.687   3.601  -2.677
  119   3HB   ALA  17          3HB       ALA  17  53.727   2.434  -1.356
  120    H    ILE  18           H        ILE  18  54.024   4.567  -0.114
  121    HA   ILE  18           HA       ILE  18  55.811   4.230   2.229
  122    HB   ILE  18           HB       ILE  18  53.069   5.518   2.015
  123   1HG1  ILE  18          2HG1      ILE  18  54.515   6.472   0.291
  124   2HG1  ILE  18          1HG1      ILE  18  54.349   7.630   1.610
  125   1HG2  ILE  18          1HG2      ILE  18  54.063   5.088   4.295
  126   2HG2  ILE  18          2HG2      ILE  18  53.789   6.794   3.943
  127   3HG2  ILE  18          3HG2      ILE  18  55.417   6.122   3.837
  128   1HD1  ILE  18          1HD1      ILE  18  56.539   5.963   2.280
  129   2HD1  ILE  18          2HD1      ILE  18  56.588   7.664   1.816
  130   3HD1  ILE  18          3HD1      ILE  18  56.748   6.409   0.586
  131    H    ASP  19           H        ASP  19  52.290   3.663   1.690
  132    HA   ASP  19           HA       ASP  19  52.566   1.229   3.430
  133   1HB   ASP  19          2HB       ASP  19  50.448   1.829   4.418
  134   2HB   ASP  19          1HB       ASP  19  51.448   3.281   4.424
  135    H    THR  20           H        THR  20  51.834   2.321   0.340
  136    HA   THR  20           HA       THR  20  49.627   0.469  -0.236
  137    HB   THR  20           HB       THR  20  49.995   1.373  -2.535
  138    HG1  THR  20           HG1      THR  20  52.227   1.611  -2.447
  139   1HG2  THR  20          1HG2      THR  20  50.170   3.659  -0.586
  140   2HG2  THR  20          2HG2      THR  20  48.758   2.602  -0.611
  141   3HG2  THR  20          3HG2      THR  20  49.193   3.528  -2.048
  142    H    LYS  21           H        LYS  21  49.899  -1.245  -1.925
  143    HA   LYS  21           HA       LYS  21  52.563  -2.560  -1.680
  144   1HB   LYS  21          2HB       LYS  21  50.250  -3.529  -0.906
  145   2HB   LYS  21          1HB       LYS  21  50.030  -3.875  -2.622
  146   1HG   LYS  21          2HG       LYS  21  51.198  -5.774  -2.244
  147   2HG   LYS  21          1HG       LYS  21  52.622  -4.739  -2.126
  148   1HD   LYS  21          2HD       LYS  21  52.201  -4.472   0.308
  149   2HD   LYS  21          1HD       LYS  21  50.829  -5.570   0.174
  150   1HE   LYS  21          2HE       LYS  21  52.227  -7.424  -0.379
  151   2HE   LYS  21          1HE       LYS  21  53.621  -6.372  -0.691
  152   1HZ   LYS  21          1HZ       LYS  21  52.583  -5.826   1.875
  153   2HZ   LYS  21          2HZ       LYS  21  54.127  -6.399   1.458
  154   3HZ   LYS  21          3HZ       LYS  21  52.861  -7.494   1.745
  155    H    MET  22           H        MET  22  53.581  -1.493  -3.483
  156    HA   MET  22           HA       MET  22  52.303  -1.796  -6.155
  157   1HB   MET  22          2HB       MET  22  54.826  -0.389  -5.207
  158   2HB   MET  22          1HB       MET  22  54.113  -0.244  -6.817
  159   1HG   MET  22          2HG       MET  22  51.981   0.297  -5.120
  160   2HG   MET  22          1HG       MET  22  53.346   1.078  -4.321
  161   1HE   MET  22          1HE       MET  22  54.996   2.497  -5.376
  162   2HE   MET  22          2HE       MET  22  53.729   3.600  -4.845
  163   3HE   MET  22          3HE       MET  22  54.496   3.840  -6.413
  164    H    VAL  23           H        VAL  23  55.363  -1.687  -7.019
  165    HA   VAL  23           HA       VAL  23  55.585  -4.506  -7.626
  166    HB   VAL  23           HB       VAL  23  57.511  -2.160  -7.735
  167   1HG1  VAL  23          1HG1      VAL  23  58.152  -4.235  -9.597
  168   2HG1  VAL  23          2HG1      VAL  23  58.044  -4.955  -7.992
  169   3HG1  VAL  23          3HG1      VAL  23  59.144  -3.608  -8.281
  170   1HG2  VAL  23          1HG2      VAL  23  55.639  -3.483  -9.707
  171   2HG2  VAL  23          2HG2      VAL  23  56.987  -2.478 -10.238
  172   3HG2  VAL  23          3HG2      VAL  23  55.709  -1.783  -9.242
  173    H    GLY  24           H        GLY  24  56.887  -2.392  -5.123
  174   1HA   GLY  24          2HA       GLY  24  58.203  -4.770  -3.870
  175   2HA   GLY  24          1HA       GLY  24  58.779  -3.112  -3.654
  176    HA   PRO  25           HA       PRO  25  55.540  -4.488  -0.406
  177   1HB   PRO  25          2HB       PRO  25  57.608  -4.406   1.590
  178   2HB   PRO  25          1HB       PRO  25  56.674  -5.804   1.052
  179   1HG   PRO  25          2HG       PRO  25  59.436  -5.250   0.549
  180   2HG   PRO  25          1HG       PRO  25  58.486  -6.622  -0.024
  181   1HD   PRO  25          2HD       PRO  25  59.461  -4.364  -1.552
  182   2HD   PRO  25          1HD       PRO  25  58.555  -5.780  -2.140
  183    H    ALA  26           H        ALA  26  54.583  -2.844   0.838
  184    HA   ALA  26           HA       ALA  26  55.154  -0.146   0.491
  185   1HB   ALA  26          1HB       ALA  26  53.623  -1.846   2.294
  186   2HB   ALA  26          2HB       ALA  26  53.214  -0.253   1.659
  187   3HB   ALA  26          3HB       ALA  26  54.192  -0.395   3.120
  188    H    TYR  27           H        TYR  27  56.307   1.424   1.796
  189    HA   TYR  27           HA       TYR  27  58.855   0.507   2.815
  190   1HB   TYR  27          2HB       TYR  27  57.339   3.066   2.493
  191   2HB   TYR  27          1HB       TYR  27  58.715   3.078   3.589
  192    HD1  TYR  27           HD1      TYR  27  58.177   4.345   0.678
  193    HD2  TYR  27           HD2      TYR  27  60.461   1.029   2.182
  194    HE1  TYR  27           HE1      TYR  27  59.709   4.518  -1.261
  195    HE2  TYR  27           HE2      TYR  27  61.985   1.201   0.236
  196    HH   TYR  27           HH       TYR  27  61.871   2.094  -2.116
  197    H    LYS  28           H        LYS  28  56.201   2.264   4.487
  198    HA   LYS  28           HA       LYS  28  57.054   1.982   7.128
  199   1HB   LYS  28          2HB       LYS  28  54.643   2.537   5.664
  200   2HB   LYS  28          1HB       LYS  28  54.249   1.501   7.036
  201   1HG   LYS  28          2HG       LYS  28  54.918   3.069   8.595
  202   2HG   LYS  28          1HG       LYS  28  56.097   3.802   7.506
  203   1HD   LYS  28          2HD       LYS  28  54.588   5.399   7.022
  204   2HD   LYS  28          1HD       LYS  28  53.571   4.161   6.286
  205   1HE   LYS  28          2HE       LYS  28  53.542   4.526   9.280
  206   2HE   LYS  28          1HE       LYS  28  52.563   5.581   8.240
  207   1HZ   LYS  28          1HZ       LYS  28  52.546   2.723   7.645
  208   2HZ   LYS  28          2HZ       LYS  28  51.295   3.865   7.513
  209   3HZ   LYS  28          3HZ       LYS  28  51.702   3.217   9.030
  210    H    ASP  29           H        ASP  29  55.173  -0.346   5.199
  211    HA   ASP  29           HA       ASP  29  54.783  -2.359   7.148
  212   1HB   ASP  29          2HB       ASP  29  55.138  -2.282   4.156
  213   2HB   ASP  29          1HB       ASP  29  54.923  -3.828   4.977
  214    H    VAL  30           H        VAL  30  57.523  -1.870   4.909
  215    HA   VAL  30           HA       VAL  30  59.075  -4.130   5.576
  216    HB   VAL  30           HB       VAL  30  59.880  -1.290   4.878
  217   1HG1  VAL  30          1HG1      VAL  30  61.652  -3.304   3.862
  218   2HG1  VAL  30          2HG1      VAL  30  61.475  -3.538   5.602
  219   3HG1  VAL  30          3HG1      VAL  30  62.020  -1.983   4.972
  220   1HG2  VAL  30          1HG2      VAL  30  58.442  -3.237   3.425
  221   2HG2  VAL  30          2HG2      VAL  30  60.079  -3.265   2.769
  222   3HG2  VAL  30          3HG2      VAL  30  59.164  -1.758   2.790
  223    H    ALA  31           H        ALA  31  58.706  -1.044   7.255
  224    HA   ALA  31           HA       ALA  31  60.861  -1.520   9.152
  225   1HB   ALA  31          1HB       ALA  31  60.071   0.534  10.119
  226   2HB   ALA  31          2HB       ALA  31  58.474   0.324   9.402
  227   3HB   ALA  31          3HB       ALA  31  59.861   0.693   8.376
  228    H    ALA  32           H        ALA  32  57.340  -1.975   9.178
  229    HA   ALA  32           HA       ALA  32  57.122  -2.679  11.964
  230   1HB   ALA  32          1HB       ALA  32  54.887  -3.144  11.388
  231   2HB   ALA  32          2HB       ALA  32  55.324  -3.691   9.769
  232   3HB   ALA  32          3HB       ALA  32  55.368  -1.971  10.162
  233    H    LYS  33           H        LYS  33  57.965  -4.493   9.078
  234    HA   LYS  33           HA       LYS  33  57.647  -7.107  10.377
  235   1HB   LYS  33          2HB       LYS  33  57.342  -6.418   7.891
  236   2HB   LYS  33          1HB       LYS  33  59.105  -6.490   7.805
  237   1HG   LYS  33          2HG       LYS  33  58.994  -8.723   7.579
  238   2HG   LYS  33          1HG       LYS  33  58.217  -8.836   9.158
  239   1HD   LYS  33          2HD       LYS  33  56.068  -8.837   8.251
  240   2HD   LYS  33          1HD       LYS  33  56.585  -8.031   6.770
  241   1HE   LYS  33          2HE       LYS  33  56.138 -10.361   6.229
  242   2HE   LYS  33          1HE       LYS  33  57.900 -10.140   6.209
  243   1HZ   LYS  33          1HZ       LYS  33  57.967 -10.840   8.533
  244   2HZ   LYS  33          2HZ       LYS  33  57.314 -12.061   7.548
  245   3HZ   LYS  33          3HZ       LYS  33  56.293 -11.108   8.515
  246    H    TYR  34           H        TYR  34  60.322  -4.968   9.383
  247    HA   TYR  34           HA       TYR  34  62.328  -6.814  10.525
  248   1HB   TYR  34          2HB       TYR  34  62.309  -4.215   8.997
  249   2HB   TYR  34          1HB       TYR  34  63.795  -4.772   9.778
  250    HD1  TYR  34           HD1      TYR  34  65.217  -6.143   8.545
  251    HD2  TYR  34           HD2      TYR  34  61.016  -6.134   7.645
  252    HE1  TYR  34           HE1      TYR  34  65.615  -7.719   6.672
  253    HE2  TYR  34           HE2      TYR  34  61.415  -7.710   5.771
  254    HH   TYR  34           HH       TYR  34  63.317  -9.519   5.270
  255    H    ALA  35           H        ALA  35  60.227  -4.557  11.779
  256    HA   ALA  35           HA       ALA  35  61.719  -2.888  13.487
  257   1HB   ALA  35          1HB       ALA  35  59.636  -3.044  14.911
  258   2HB   ALA  35          2HB       ALA  35  59.089  -4.356  13.866
  259   3HB   ALA  35          3HB       ALA  35  59.311  -2.736  13.206
  260    H    GLY  36           H        GLY  36  62.885  -3.261  15.363
  261   1HA   GLY  36          2HA       GLY  36  63.273  -4.506  17.438
  262   2HA   GLY  36          1HA       GLY  36  62.667  -5.954  16.631
  263    H    GLN  37           H        GLN  37  64.158  -5.534  14.171
  264    HA   GLN  37           HA       GLN  37  66.527  -6.970  14.689
  265   1HB   GLN  37          2HB       GLN  37  65.277  -5.447  12.514
  266   2HB   GLN  37          1HB       GLN  37  67.038  -5.465  12.414
  267   1HG   GLN  37          2HG       GLN  37  66.620  -8.059  13.006
  268   2HG   GLN  37          1HG       GLN  37  65.105  -7.714  12.172
  269   1HE2  GLN  37          1HE2      GLN  37  67.762  -9.200  11.382
  270   2HE2  GLN  37          2HE2      GLN  37  68.106  -8.557   9.839
  271    H    ALA  38           H        ALA  38  68.462  -6.359  15.576
  272    HA   ALA  38           HA       ALA  38  68.886  -3.541  16.311
  273   1HB   ALA  38          1HB       ALA  38  69.349  -5.228  17.955
  274   2HB   ALA  38          2HB       ALA  38  70.917  -4.621  17.423
  275   3HB   ALA  38          3HB       ALA  38  70.314  -6.163  16.812
  276    H    GLY  39           H        GLY  39  68.958  -3.683  13.546
  277   1HA   GLY  39          2HA       GLY  39  71.045  -2.345  12.584
  278   2HA   GLY  39          1HA       GLY  39  71.812  -3.923  12.768
  279    H    ALA  40           H        ALA  40  68.634  -2.805  11.535
  280    HA   ALA  40           HA       ALA  40  68.804  -4.794   9.358
  281   1HB   ALA  40          1HB       ALA  40  66.469  -3.953   8.952
  282   2HB   ALA  40          2HB       ALA  40  66.711  -2.785  10.250
  283   3HB   ALA  40          3HB       ALA  40  66.724  -4.512  10.604
  284    H    GLU  41           H        GLU  41  69.253  -1.372   9.868
  285    HA   GLU  41           HA       GLU  41  68.899  -0.520   7.123
  286   1HB   GLU  41          2HB       GLU  41  69.948   1.533   7.977
  287   2HB   GLU  41          1HB       GLU  41  68.796   0.919   9.164
  288   1HG   GLU  41          2HG       GLU  41  70.522   0.025  10.535
  289   2HG   GLU  41          1HG       GLU  41  71.727   0.188   9.257
  290    H    ALA  42           H        ALA  42  71.529  -1.964   8.935
  291    HA   ALA  42           HA       ALA  42  73.685  -1.210   7.170
  292   1HB   ALA  42          1HB       ALA  42  74.932  -2.722   8.510
  293   2HB   ALA  42          2HB       ALA  42  73.520  -3.728   8.833
  294   3HB   ALA  42          3HB       ALA  42  73.667  -2.144   9.593
  295    H    TYR  43           H        TYR  43  71.793  -4.251   7.470
  296    HA   TYR  43           HA       TYR  43  72.973  -5.409   5.078
  297   1HB   TYR  43          2HB       TYR  43  72.134  -6.893   6.735
  298   2HB   TYR  43          1HB       TYR  43  70.629  -5.984   6.902
  299    HD1  TYR  43           HD1      TYR  43  68.921  -6.053   5.068
  300    HD2  TYR  43           HD2      TYR  43  72.389  -8.587   5.068
  301    HE1  TYR  43           HE1      TYR  43  67.841  -7.532   3.395
  302    HE2  TYR  43           HE2      TYR  43  71.311 -10.064   3.393
  303    HH   TYR  43           HH       TYR  43  68.138 -10.118   2.769
  304    H    LEU  44           H        LEU  44  70.227  -3.359   5.783
  305    HA   LEU  44           HA       LEU  44  68.843  -3.711   3.265
  306   1HB   LEU  44          2HB       LEU  44  68.934  -1.689   5.506
  307   2HB   LEU  44          1HB       LEU  44  68.006  -1.336   4.044
  308    HG   LEU  44           HG       LEU  44  67.676  -3.873   5.670
  309   1HD1  LEU  44          1HD1      LEU  44  66.146  -2.846   7.001
  310   2HD1  LEU  44          2HD1      LEU  44  65.514  -1.867   5.677
  311   3HD1  LEU  44          3HD1      LEU  44  66.973  -1.361   6.529
  312   1HD2  LEU  44          1HD2      LEU  44  66.087  -4.467   4.140
  313   2HD2  LEU  44          2HD2      LEU  44  66.971  -3.367   3.082
  314   3HD2  LEU  44          3HD2      LEU  44  65.529  -2.808   3.930
  315    H    ALA  45           H        ALA  45  71.598  -1.873   4.384
  316    HA   ALA  45           HA       ALA  45  71.722  -0.071   2.097
  317   1HB   ALA  45          1HB       ALA  45  73.633   0.742   3.210
  318   2HB   ALA  45          2HB       ALA  45  74.008  -0.837   3.902
  319   3HB   ALA  45          3HB       ALA  45  72.659   0.107   4.535
  320    H    GLN  46           H        GLN  46  73.194  -3.176   3.015
  321    HA   GLN  46           HA       GLN  46  74.993  -3.252   0.722
  322   1HB   GLN  46          2HB       GLN  46  74.234  -4.861   3.060
  323   2HB   GLN  46          1HB       GLN  46  74.630  -5.844   1.649
  324   1HG   GLN  46          2HG       GLN  46  76.688  -4.209   1.458
  325   2HG   GLN  46          1HG       GLN  46  76.366  -3.925   3.168
  326   1HE2  GLN  46          1HE2      GLN  46  78.665  -5.058   3.172
  327   2HE2  GLN  46          2HE2      GLN  46  78.645  -6.756   3.333
  328    H    ARG  47           H        ARG  47  71.681  -4.217   1.340
  329    HA   ARG  47           HA       ARG  47  71.535  -5.822  -1.142
  330   1HB   ARG  47          2HB       ARG  47  69.635  -5.056   1.088
  331   2HB   ARG  47          1HB       ARG  47  69.100  -5.961  -0.329
  332   1HG   ARG  47          2HG       ARG  47  71.553  -7.032   0.877
  333   2HG   ARG  47          1HG       ARG  47  70.160  -7.084   1.958
  334   1HD   ARG  47          2HD       ARG  47  68.959  -8.520   0.561
  335   2HD   ARG  47          1HD       ARG  47  69.837  -8.003  -0.892
  336    HE   ARG  47           HE       ARG  47  70.745 -10.020   1.029
  337   1HH1  ARG  47          1HH1      ARG  47  71.607  -7.664  -1.348
  338   2HH1  ARG  47          2HH1      ARG  47  73.125  -8.407  -1.720
  339   1HH2  ARG  47          1HH2      ARG  47  72.723 -10.994   0.550
  340   2HH2  ARG  47          2HH2      ARG  47  73.756 -10.291  -0.648
  341    H    ILE  48           H        ILE  48  71.049  -2.575  -0.099
  342    HA   ILE  48           HA       ILE  48  69.184  -1.878  -2.272
  343    HB   ILE  48           HB       ILE  48  70.650  -0.435  -0.058
  344   1HG1  ILE  48          2HG1      ILE  48  67.690  -0.562  -0.678
  345   2HG1  ILE  48          1HG1      ILE  48  68.500  -1.800   0.281
  346   1HG2  ILE  48          1HG2      ILE  48  69.649   1.656  -0.790
  347   2HG2  ILE  48          2HG2      ILE  48  68.845   0.844  -2.133
  348   3HG2  ILE  48          3HG2      ILE  48  70.602   0.997  -2.120
  349   1HD1  ILE  48          1HD1      ILE  48  68.319  -0.482   2.093
  350   2HD1  ILE  48          2HD1      ILE  48  67.588   0.792   1.117
  351   3HD1  ILE  48          3HD1      ILE  48  69.341   0.716   1.298
  352    H    LYS  49           H        LYS  49  72.643  -1.868  -1.616
  353    HA   LYS  49           HA       LYS  49  73.267  -0.132  -3.913
  354   1HB   LYS  49          2HB       LYS  49  74.574  -0.101  -1.819
  355   2HB   LYS  49          1HB       LYS  49  74.972  -1.806  -2.036
  356   1HG   LYS  49          2HG       LYS  49  76.172  -1.309  -4.099
  357   2HG   LYS  49          1HG       LYS  49  75.693   0.386  -4.004
  358   1HD   LYS  49          2HD       LYS  49  76.828   0.138  -1.578
  359   2HD   LYS  49          1HD       LYS  49  77.750  -1.094  -2.440
  360   1HE   LYS  49          2HE       LYS  49  77.588   1.177  -4.159
  361   2HE   LYS  49          1HE       LYS  49  78.087   1.753  -2.556
  362   1HZ   LYS  49          1HZ       LYS  49  80.078   1.021  -3.421
  363   2HZ   LYS  49          2HZ       LYS  49  79.368  -0.260  -4.281
  364   3HZ   LYS  49          3HZ       LYS  49  79.552  -0.366  -2.596
  365    H    ASN  50           H        ASN  50  72.731  -3.499  -3.345
  366    HA   ASN  50           HA       ASN  50  73.847  -4.113  -6.061
  367   1HB   ASN  50          2HB       ASN  50  74.952  -4.898  -3.713
  368   2HB   ASN  50          1HB       ASN  50  73.824  -6.229  -3.976
  369   1HD2  ASN  50          1HD2      ASN  50  75.627  -7.708  -4.460
  370   2HD2  ASN  50          2HD2      ASN  50  76.458  -7.608  -5.948
  371    H    GLY  51           H        GLY  51  71.112  -3.990  -4.165
  372   1HA   GLY  51          2HA       GLY  51  68.966  -4.944  -4.331
  373   2HA   GLY  51          1HA       GLY  51  69.374  -5.184  -6.028
  374    H    SER  52           H        SER  52  67.797  -7.137  -4.808
  375    HA   SER  52           HA       SER  52  69.253  -9.539  -5.323
  376   1HB   SER  52          2HB       SER  52  70.004  -8.258  -2.924
  377   2HB   SER  52          1HB       SER  52  69.047  -9.654  -2.441
  378    HG   SER  52           HG       SER  52  70.493 -10.967  -3.321
  379    H    GLN  53           H        GLN  53  68.140 -11.538  -4.365
  380    HA   GLN  53           HA       GLN  53  65.212 -10.991  -4.052
  381   1HB   GLN  53          2HB       GLN  53  64.941 -12.585  -5.644
  382   2HB   GLN  53          1HB       GLN  53  66.681 -12.522  -5.881
  383   1HG   GLN  53          2HG       GLN  53  65.219 -14.390  -3.986
  384   2HG   GLN  53          1HG       GLN  53  65.924 -14.835  -5.534
  385   1HE2  GLN  53          1HE2      GLN  53  68.353 -13.259  -5.311
  386   2HE2  GLN  53          2HE2      GLN  53  69.307 -13.960  -4.082
  387    H    GLY  54           H        GLY  54  64.246 -13.209  -2.916
  388   1HA   GLY  54          2HA       GLY  54  64.133 -14.480  -0.935
  389   2HA   GLY  54          1HA       GLY  54  65.884 -14.294  -0.786
  390    H    VAL  55           H        VAL  55  63.927 -11.479  -1.209
  391    HA   VAL  55           HA       VAL  55  64.574 -10.637   1.581
  392    HB   VAL  55           HB       VAL  55  63.774  -9.066  -0.891
  393   1HG1  VAL  55          1HG1      VAL  55  64.022  -7.177   0.344
  394   2HG1  VAL  55          2HG1      VAL  55  65.390  -7.831   1.244
  395   3HG1  VAL  55          3HG1      VAL  55  63.742  -8.246   1.717
  396   1HG2  VAL  55          1HG2      VAL  55  66.512  -8.725  -0.087
  397   2HG2  VAL  55          2HG2      VAL  55  65.887  -9.322  -1.625
  398   3HG2  VAL  55          3HG2      VAL  55  66.188 -10.446  -0.300
  399    H    TRP  56           H        TRP  56  61.995  -9.881  -0.790
  400    HA   TRP  56           HA       TRP  56  60.003 -10.179   1.428
  401   1HB   TRP  56          2HB       TRP  56  60.262  -8.279  -0.913
  402   2HB   TRP  56          1HB       TRP  56  58.783  -8.430   0.034
  403    HD1  TRP  56           HD1      TRP  56  62.209  -6.930   0.080
  404    HE1  TRP  56           HE1      TRP  56  62.567  -5.612   2.271
  405    HE3  TRP  56           HE3      TRP  56  58.084  -8.421   2.698
  406    HZ2  TRP  56           HZ2      TRP  56  61.282  -5.243   4.790
  407    HZ3  TRP  56           HZ3      TRP  56  57.680  -7.569   4.993
  408    HH2  TRP  56           HH2      TRP  56  59.270  -5.985   6.035
  409    H    GLY  57           H        GLY  57  60.649 -10.580  -2.044
  410   1HA   GLY  57          2HA       GLY  57  58.794 -12.858  -2.129
  411   2HA   GLY  57          1HA       GLY  57  58.332 -11.485  -3.136
  412    HA   PRO  58           HA       PRO  58  61.279 -14.283  -5.473
  413   1HB   PRO  58          2HB       PRO  58  59.330 -14.326  -7.587
  414   2HB   PRO  58          1HB       PRO  58  59.847 -15.664  -6.556
  415   1HG   PRO  58          2HG       PRO  58  57.319 -14.375  -6.533
  416   2HG   PRO  58          1HG       PRO  58  57.906 -15.587  -5.390
  417   1HD   PRO  58          2HD       PRO  58  57.557 -12.705  -4.987
  418   2HD   PRO  58          1HD       PRO  58  57.881 -13.971  -3.778
  419    H    ILE  59           H        ILE  59  60.177 -11.156  -5.618
  420    HA   ILE  59           HA       ILE  59  61.347 -10.629  -8.319
  421    HB   ILE  59           HB       ILE  59  59.788  -8.728  -6.558
  422   1HG1  ILE  59          2HG1      ILE  59  58.726 -10.805  -8.501
  423   2HG1  ILE  59          1HG1      ILE  59  58.403 -10.721  -6.768
  424   1HG2  ILE  59          1HG2      ILE  59  59.192  -8.437  -9.296
  425   2HG2  ILE  59          2HG2      ILE  59  60.936  -8.687  -9.216
  426   3HG2  ILE  59          3HG2      ILE  59  60.191  -7.371  -8.310
  427   1HD1  ILE  59          1HD1      ILE  59  56.920  -9.492  -8.827
  428   2HD1  ILE  59          2HD1      ILE  59  57.791  -8.187  -8.024
  429   3HD1  ILE  59          3HD1      ILE  59  56.733  -9.244  -7.092
  430    HA   PRO  60           HA       PRO  60  64.684  -9.456  -5.265
  431   1HB   PRO  60          2HB       PRO  60  66.428  -9.655  -7.551
  432   2HB   PRO  60          1HB       PRO  60  66.364 -10.704  -6.140
  433   1HG   PRO  60          2HG       PRO  60  65.433 -11.245  -8.825
  434   2HG   PRO  60          1HG       PRO  60  65.500 -12.345  -7.445
  435   1HD   PRO  60          2HD       PRO  60  63.156 -11.253  -8.617
  436   2HD   PRO  60          1HD       PRO  60  63.258 -12.135  -7.073
  437    H    MET  61           H        MET  61  65.610  -7.398  -5.104
  438    HA   MET  61           HA       MET  61  64.639  -5.322  -6.908
  439   1HB   MET  61          2HB       MET  61  64.822  -4.954  -4.525
  440   2HB   MET  61          1HB       MET  61  66.518  -5.429  -4.533
  441   1HG   MET  61          2HG       MET  61  67.143  -3.493  -5.814
  442   2HG   MET  61          1HG       MET  61  65.454  -3.070  -6.107
  443   1HE   MET  61          1HE       MET  61  67.331  -3.195  -1.911
  444   2HE   MET  61          2HE       MET  61  68.245  -3.517  -3.380
  445   3HE   MET  61          3HE       MET  61  66.920  -4.584  -2.927
  446    HA   PRO  62           HA       PRO  62  68.218  -5.609  -9.582
  447   1HB   PRO  62          2HB       PRO  62  67.679  -2.962 -10.574
  448   2HB   PRO  62          1HB       PRO  62  67.313  -4.505 -11.354
  449   1HG   PRO  62          2HG       PRO  62  65.454  -2.655 -10.239
  450   2HG   PRO  62          1HG       PRO  62  65.106  -4.250 -10.913
  451   1HD   PRO  62          2HD       PRO  62  65.102  -3.423  -8.116
  452   2HD   PRO  62          1HD       PRO  62  64.582  -4.976  -8.816
  453    HA   PRO  63           HA       PRO  63  71.088  -3.454  -6.945
  454   1HB   PRO  63          2HB       PRO  63  73.067  -3.396  -9.025
  455   2HB   PRO  63          1HB       PRO  63  72.974  -4.489  -7.643
  456   1HG   PRO  63          2HG       PRO  63  72.439  -5.082 -10.414
  457   2HG   PRO  63          1HG       PRO  63  72.421  -6.186  -9.036
  458   1HD   PRO  63          2HD       PRO  63  70.164  -5.222 -10.517
  459   2HD   PRO  63          1HD       PRO  63  70.139  -6.235  -9.052
  460    H    ASN  64           H        ASN  64  71.534  -1.258  -6.648
  461    HA   ASN  64           HA       ASN  64  70.938   0.546  -8.967
  462   1HB   ASN  64          2HB       ASN  64  70.758   0.990  -5.968
  463   2HB   ASN  64          1HB       ASN  64  70.236   2.130  -7.213
  464   1HD2  ASN  64          1HD2      ASN  64  69.612  -1.215  -6.032
  465   2HD2  ASN  64          2HD2      ASN  64  67.981  -1.246  -6.531
  466    H    ALA  65           H        ALA  65  72.104   2.729  -8.742
  467    HA   ALA  65           HA       ALA  65  74.977   2.220  -8.127
  468   1HB   ALA  65          1HB       ALA  65  75.393   3.784  -9.810
  469   2HB   ALA  65          2HB       ALA  65  73.892   4.658  -9.504
  470   3HB   ALA  65          3HB       ALA  65  73.856   3.116 -10.358
  471    H    VAL  66           H        VAL  66  73.453   2.583  -5.836
  472    HA   VAL  66           HA       VAL  66  73.746   5.454  -5.070
  473    HB   VAL  66           HB       VAL  66  72.428   4.589  -3.048
  474   1HG1  VAL  66          1HG1      VAL  66  71.224   4.177  -5.803
  475   2HG1  VAL  66          2HG1      VAL  66  71.369   5.728  -4.976
  476   3HG1  VAL  66          3HG1      VAL  66  70.323   4.471  -4.315
  477   1HG2  VAL  66          1HG2      VAL  66  71.738   2.397  -2.934
  478   2HG2  VAL  66          2HG2      VAL  66  73.238   2.142  -3.824
  479   3HG2  VAL  66          3HG2      VAL  66  71.702   2.206  -4.687
  480    H    SER  67           H        SER  67  75.857   5.809  -4.367
  481    HA   SER  67           HA       SER  67  77.771   4.075  -3.385
  482   1HB   SER  67          2HB       SER  67  77.222   6.727  -2.049
  483   2HB   SER  67          1HB       SER  67  78.778   6.014  -2.468
  484    HG   SER  67           HG       SER  67  78.194   6.289  -4.673
  485    H    ASP  68           H        ASP  68  78.258   3.172  -1.299
  486    HA   ASP  68           HA       ASP  68  76.258   2.096   0.263
  487   1HB   ASP  68          2HB       ASP  68  78.656   1.585   0.454
  488   2HB   ASP  68          1HB       ASP  68  78.952   3.174   1.160
  489    H    ASP  69           H        ASP  69  77.609   5.378   0.612
  490    HA   ASP  69           HA       ASP  69  76.250   6.039   3.054
  491   1HB   ASP  69          2HB       ASP  69  78.180   7.232   1.928
  492   2HB   ASP  69          1HB       ASP  69  77.021   7.866   0.759
  493    H    GLU  70           H        GLU  70  75.357   6.515  -0.372
  494    HA   GLU  70           HA       GLU  70  72.866   7.844   0.133
  495   1HB   GLU  70          2HB       GLU  70  73.730   6.105  -2.198
  496   2HB   GLU  70          1HB       GLU  70  72.482   7.352  -2.234
  497   1HG   GLU  70          2HG       GLU  70  74.239   9.028  -1.567
  498   2HG   GLU  70          1HG       GLU  70  75.448   7.758  -1.765
  499    H    ALA  71           H        ALA  71  73.618   4.410  -0.531
  500    HA   ALA  71           HA       ALA  71  70.882   3.507  -0.295
  501   1HB   ALA  71          1HB       ALA  71  71.850   1.424  -0.698
  502   2HB   ALA  71          2HB       ALA  71  73.263   1.777   0.299
  503   3HB   ALA  71          3HB       ALA  71  73.123   2.480  -1.313
  504    H    GLN  72           H        GLN  72  73.360   4.357   1.969
  505    HA   GLN  72           HA       GLN  72  72.409   2.782   4.213
  506   1HB   GLN  72          2HB       GLN  72  74.667   3.516   4.263
  507   2HB   GLN  72          1HB       GLN  72  74.230   5.151   3.768
  508   1HG   GLN  72          2HG       GLN  72  73.704   5.794   5.885
  509   2HG   GLN  72          1HG       GLN  72  72.979   4.235   6.281
  510   1HE2  GLN  72          1HE2      GLN  72  74.206   4.203   8.341
  511   2HE2  GLN  72          2HE2      GLN  72  75.874   3.840   8.340
  512    H    THR  73           H        THR  73  72.028   6.132   3.098
  513    HA   THR  73           HA       THR  73  70.222   6.928   5.223
  514    HB   THR  73           HB       THR  73  70.661   8.013   2.416
  515    HG1  THR  73           HG1      THR  73  71.872   8.701   4.886
  516   1HG2  THR  73          1HG2      THR  73  68.626   8.873   3.496
  517   2HG2  THR  73          2HG2      THR  73  69.853  10.134   3.386
  518   3HG2  THR  73          3HG2      THR  73  69.564   9.317   4.921
  519    H    LEU  74           H        LEU  74  69.944   5.347   2.112
  520    HA   LEU  74           HA       LEU  74  67.119   5.696   1.681
  521   1HB   LEU  74          2HB       LEU  74  69.230   3.708   0.813
  522   2HB   LEU  74          1HB       LEU  74  67.559   3.558   0.277
  523    HG   LEU  74           HG       LEU  74  69.194   6.085  -0.058
  524   1HD1  LEU  74          1HD1      LEU  74  68.704   4.952  -2.566
  525   2HD1  LEU  74          2HD1      LEU  74  69.206   3.590  -1.564
  526   3HD1  LEU  74          3HD1      LEU  74  70.256   4.998  -1.729
  527   1HD2  LEU  74          1HD2      LEU  74  67.134   6.917  -0.488
  528   2HD2  LEU  74          2HD2      LEU  74  66.408   5.309  -0.491
  529   3HD2  LEU  74          3HD2      LEU  74  67.159   5.941  -1.957
  530    H    ALA  75           H        ALA  75  69.039   3.149   3.292
  531    HA   ALA  75           HA       ALA  75  66.855   1.421   3.955
  532   1HB   ALA  75          1HB       ALA  75  68.482   0.456   5.497
  533   2HB   ALA  75          2HB       ALA  75  69.439   1.936   5.464
  534   3HB   ALA  75          3HB       ALA  75  69.324   0.928   4.022
  535    H    LYS  76           H        LYS  76  68.434   4.057   5.784
  536    HA   LYS  76           HA       LYS  76  66.753   3.876   8.111
  537   1HB   LYS  76          2HB       LYS  76  68.500   5.984   6.826
  538   2HB   LYS  76          1HB       LYS  76  67.609   6.326   8.310
  539   1HG   LYS  76          2HG       LYS  76  68.737   4.580   9.500
  540   2HG   LYS  76          1HG       LYS  76  69.433   3.931   8.014
  541   1HD   LYS  76          2HD       LYS  76  71.088   5.501   7.945
  542   2HD   LYS  76          1HD       LYS  76  70.038   6.777   8.559
  543   1HE   LYS  76          2HE       LYS  76  70.383   4.827  10.639
  544   2HE   LYS  76          1HE       LYS  76  71.980   5.295  10.021
  545   1HZ   LYS  76          1HZ       LYS  76  71.418   7.594  10.245
  546   2HZ   LYS  76          2HZ       LYS  76  71.097   6.839  11.732
  547   3HZ   LYS  76          3HZ       LYS  76  69.820   7.226  10.679
  548    H    TRP  77           H        TRP  77  66.338   5.272   4.945
  549    HA   TRP  77           HA       TRP  77  64.197   7.115   5.597
  550   1HB   TRP  77          2HB       TRP  77  65.599   7.333   3.614
  551   2HB   TRP  77          1HB       TRP  77  65.095   5.736   3.050
  552    HD1  TRP  77           HD1      TRP  77  63.150   8.886   4.238
  553    HE1  TRP  77           HE1      TRP  77  61.264   9.331   2.534
  554    HE3  TRP  77           HE3      TRP  77  64.009   5.074   0.970
  555    HZ2  TRP  77           HZ2      TRP  77  60.254   8.210   0.103
  556    HZ3  TRP  77           HZ3      TRP  77  62.576   4.781  -1.034
  557    HH2  TRP  77           HH2      TRP  77  60.700   6.344  -1.472
  558    H    ILE  78           H        ILE  78  64.287   3.806   4.233
  559    HA   ILE  78           HA       ILE  78  61.477   3.447   3.932
  560    HB   ILE  78           HB       ILE  78  63.812   1.599   4.498
  561   1HG1  ILE  78          2HG1      ILE  78  62.640   1.126   1.977
  562   2HG1  ILE  78          1HG1      ILE  78  62.688   2.881   2.149
  563   1HG2  ILE  78          1HG2      ILE  78  60.896   0.970   4.047
  564   2HG2  ILE  78          2HG2      ILE  78  61.982   0.329   5.280
  565   3HG2  ILE  78          3HG2      ILE  78  62.158  -0.179   3.600
  566   1HD1  ILE  78          1HD1      ILE  78  64.878   2.808   1.633
  567   2HD1  ILE  78          2HD1      ILE  78  64.865   1.044   1.653
  568   3HD1  ILE  78          3HD1      ILE  78  65.155   1.941   3.145
  569    H    LEU  79           H        LEU  79  63.623   2.612   6.672
  570    HA   LEU  79           HA       LEU  79  61.465   1.698   8.381
  571   1HB   LEU  79          2HB       LEU  79  64.378   2.402   8.629
  572   2HB   LEU  79          1HB       LEU  79  63.434   2.130  10.093
  573    HG   LEU  79           HG       LEU  79  62.789   0.057   8.237
  574   1HD1  LEU  79          1HD1      LEU  79  65.190   0.898   7.456
  575   2HD1  LEU  79          2HD1      LEU  79  64.812  -0.822   7.537
  576   3HD1  LEU  79          3HD1      LEU  79  65.717  -0.057   8.842
  577   1HD2  LEU  79          1HD2      LEU  79  64.616  -0.449  10.534
  578   2HD2  LEU  79          2HD2      LEU  79  63.108  -1.253  10.100
  579   3HD2  LEU  79          3HD2      LEU  79  63.072   0.314  10.908
  580    H    SER  80           H        SER  80  62.844   4.807   7.616
  581    HA   SER  80           HA       SER  80  61.777   6.144  10.008
  582   1HB   SER  80          2HB       SER  80  63.229   6.932   7.485
  583   2HB   SER  80          1HB       SER  80  62.582   8.159   8.570
  584    HG   SER  80           HG       SER  80  64.439   7.835   9.536
  585    H    GLN  81           H        GLN  81  60.622   5.272   6.863
  586    HA   GLN  81           HA       GLN  81  58.882   7.283   6.079
  587   1HB   GLN  81          2HB       GLN  81  59.240   4.492   5.707
  588   2HB   GLN  81          1HB       GLN  81  57.523   4.740   6.026
  589   1HG   GLN  81          2HG       GLN  81  58.185   4.923   3.587
  590   2HG   GLN  81          1HG       GLN  81  57.337   6.328   4.232
  591   1HE2  GLN  81          1HE2      GLN  81  58.427   8.332   4.188
  592   2HE2  GLN  81          2HE2      GLN  81  60.046   8.519   3.691
  593    H    LYS  82           H        LYS  82  58.031   8.473   7.873
  594    HA   LYS  82           HA       LYS  82  56.482   8.954   9.594
  595   1HB   LYS  82          2HB       LYS  82  55.110   8.131   7.600
  596   2HB   LYS  82          1HB       LYS  82  55.038   6.567   8.413
  597   1HG   LYS  82          2HG       LYS  82  53.082   7.592   9.176
  598   2HG   LYS  82          1HG       LYS  82  54.220   7.979  10.468
  599   1HD   LYS  82          2HD       LYS  82  53.147  10.038   9.958
  600   2HD   LYS  82          1HD       LYS  82  54.720  10.133   9.166
  601   1HE   LYS  82          2HE       LYS  82  53.789   9.707   7.017
  602   2HE   LYS  82          1HE       LYS  82  52.261   9.128   7.709
  603   1HZ   LYS  82          1HZ       LYS  82  53.340  11.886   7.713
  604   2HZ   LYS  82          2HZ       LYS  82  52.112  11.400   8.781
  605   3HZ   LYS  82          3HZ       LYS  82  51.851  11.347   7.103
  606    HHA  HEM  83           HHA      HEM  83  62.763  -5.025  -1.289
  607    HHB  HEM  83           HHB      HEM  83  65.298   0.718  -0.387
  608    HHC  HEM  83           HHC      HEM  83  64.626   1.822  -6.597
  609    HHD  HEM  83           HHD      HEM  83  61.296  -3.516  -7.189
  610   1HMA  HEM  83          1HMA      HEM  83  64.690  -0.856   1.938
  611   2HMA  HEM  83          2HMA      HEM  83  66.308  -0.927   1.241
  612   3HMA  HEM  83          3HMA      HEM  83  65.640  -2.336   2.066
  613   1HAA  HEM  83          1HAA      HEM  83  63.801  -5.140   0.581
  614   2HAA  HEM  83          2HAA      HEM  83  65.116  -4.385   1.474
  615   1HBA  HEM  83          1HBA      HEM  83  66.042  -4.769  -1.191
  616   2HBA  HEM  83          2HBA      HEM  83  65.270  -6.271  -0.691
  617    H2A  HEM  83          3HBB      HEM  83  67.869   2.004  -5.071
  618   1HMB  HEM  83          1HMB      HEM  83  66.479   2.409  -0.842
  619   2HMB  HEM  83          2HMB      HEM  83  65.642   3.775  -1.578
  620   3HMB  HEM  83          3HMB      HEM  83  67.239   3.305  -2.156
  621    HAB  HEM  83           HAB      HEM  83  65.541   3.282  -5.931
  622   1HBB  HEM  83          1HBB      HEM  83  68.216   3.727  -4.933
  623   2HBB  HEM  83          2HBB      HEM  83  67.697   3.053  -6.478
  624   1HMC  HEM  83          1HMC      HEM  83  64.526   0.483  -9.507
  625   2HMC  HEM  83          2HMC      HEM  83  63.841   1.806  -8.561
  626   3HMC  HEM  83          3HMC      HEM  83  62.821   0.901  -9.682
  627    HAC  HEM  83           HAC      HEM  83  61.192  -2.665  -8.848
  628   1HBC  HEM  83          1HBC      HEM  83  63.105  -2.674 -10.339
  629   2HBC  HEM  83          2HBC      HEM  83  62.910  -0.950 -10.655
  630   1HMD  HEM  83          1HMD      HEM  83  61.008  -6.157  -6.631
  631   2HMD  HEM  83          2HMD      HEM  83  59.596  -5.169  -6.255
  632   3HMD  HEM  83          3HMD      HEM  83  59.953  -6.601  -5.289
  633   1HAD  HEM  83          1HAD      HEM  83  60.019  -6.576  -2.966
  634   2HAD  HEM  83          2HAD      HEM  83  61.208  -6.175  -1.736
  635   1HBD  HEM  83          1HBD      HEM  83  61.664  -7.962  -4.137
  636   2HBD  HEM  83          2HBD      HEM  83  61.509  -8.485  -2.461
  637    H2D  HEM  83          3HBC      HEM  83  61.693  -2.093 -11.222
  Start of MODEL   17
    1   1H    GLU   1          1H        GLU   1  72.069  15.878  -0.180
    2   2H    GLU   1          2H        GLU   1  71.728  15.899   1.483
    3   3H    GLU   1          3H        GLU   1  72.030  17.352   0.659
    4    HA   GLU   1           HA       GLU   1  69.838  17.573   0.384
    5   1HB   GLU   1          2HB       GLU   1  70.653  15.257  -1.354
    6   2HB   GLU   1          1HB       GLU   1  68.963  15.761  -1.322
    7   1HG   GLU   1          2HG       GLU   1  69.891  17.032  -3.083
    8   2HG   GLU   1          1HG       GLU   1  69.876  18.151  -1.719
    9    H    ASP   2           H        ASP   2  67.622  16.472   0.639
   10    HA   ASP   2           HA       ASP   2  67.614  14.928   3.111
   11   1HB   ASP   2          2HB       ASP   2  65.597  16.070   1.188
   12   2HB   ASP   2          1HB       ASP   2  65.072  14.995   2.485
   13    HA   PRO   3           HA       PRO   3  67.295  10.805   1.626
   14   1HB   PRO   3          2HB       PRO   3  64.858  10.172   3.019
   15   2HB   PRO   3          1HB       PRO   3  66.513   9.778   3.490
   16   1HG   PRO   3          2HG       PRO   3  64.759  11.706   4.687
   17   2HG   PRO   3          1HG       PRO   3  66.421  11.321   5.143
   18   1HD   PRO   3          2HD       PRO   3  65.453  13.707   3.837
   19   2HD   PRO   3          1HD       PRO   3  67.128  13.316   4.297
   20    H    GLU   4           H        GLU   4  64.133  12.462   1.722
   21    HA   GLU   4           HA       GLU   4  62.726  10.923  -0.178
   22   1HB   GLU   4          2HB       GLU   4  62.755  13.874   0.512
   23   2HB   GLU   4          1HB       GLU   4  61.561  13.175  -0.581
   24   1HG   GLU   4          2HG       GLU   4  60.452  12.103   1.101
   25   2HG   GLU   4          1HG       GLU   4  61.936  11.732   1.979
   26    H    VAL   5           H        VAL   5  64.879  13.727  -0.712
   27    HA   VAL   5           HA       VAL   5  64.660  13.930  -3.524
   28    HB   VAL   5           HB       VAL   5  66.953  14.379  -1.590
   29   1HG1  VAL   5          1HG1      VAL   5  66.769  14.690  -4.536
   30   2HG1  VAL   5          2HG1      VAL   5  68.189  14.459  -3.516
   31   3HG1  VAL   5          3HG1      VAL   5  67.459  16.058  -3.663
   32   1HG2  VAL   5          1HG2      VAL   5  64.634  15.967  -2.607
   33   2HG2  VAL   5          2HG2      VAL   5  66.144  16.825  -2.301
   34   3HG2  VAL   5          3HG2      VAL   5  65.352  15.939  -0.997
   35    H    LEU   6           H        LEU   6  66.556  11.739  -1.506
   36    HA   LEU   6           HA       LEU   6  68.105  10.573  -3.665
   37   1HB   LEU   6          2HB       LEU   6  67.323   9.457  -0.950
   38   2HB   LEU   6          1HB       LEU   6  68.706   8.962  -1.925
   39    HG   LEU   6           HG       LEU   6  68.280  11.723  -0.745
   40   1HD1  LEU   6          1HD1      LEU   6  69.516  11.062   1.035
   41   2HD1  LEU   6          2HD1      LEU   6  70.651  10.174   0.019
   42   3HD1  LEU   6          3HD1      LEU   6  69.140   9.417   0.523
   43   1HD2  LEU   6          1HD2      LEU   6  70.758  11.887  -1.497
   44   2HD2  LEU   6          2HD2      LEU   6  69.517  12.026  -2.742
   45   3HD2  LEU   6          3HD2      LEU   6  70.389  10.508  -2.533
   46    H    ALA   7           H        ALA   7  64.970   9.955  -2.202
   47    HA   ALA   7           HA       ALA   7  64.519   7.329  -3.269
   48   1HB   ALA   7          1HB       ALA   7  62.278   7.722  -2.520
   49   2HB   ALA   7          2HB       ALA   7  62.460   9.469  -2.681
   50   3HB   ALA   7          3HB       ALA   7  63.317   8.606  -1.403
   51    H    LYS   8           H        LYS   8  64.090  10.579  -4.593
   52    HA   LYS   8           HA       LYS   8  62.605   9.572  -6.939
   53   1HB   LYS   8          2HB       LYS   8  62.332  11.812  -5.689
   54   2HB   LYS   8          1HB       LYS   8  63.812  12.313  -6.508
   55   1HG   LYS   8          2HG       LYS   8  62.520  11.398  -8.647
   56   2HG   LYS   8          1HG       LYS   8  61.107  11.759  -7.655
   57   1HD   LYS   8          2HD       LYS   8  61.389  13.996  -7.876
   58   2HD   LYS   8          1HD       LYS   8  63.128  13.887  -7.602
   59   1HE   LYS   8          2HE       LYS   8  62.741  14.684  -9.885
   60   2HE   LYS   8          1HE       LYS   8  63.372  13.027  -9.969
   61   1HZ   LYS   8          1HZ       LYS   8  60.807  14.009 -10.745
   62   2HZ   LYS   8          2HZ       LYS   8  60.660  12.749  -9.615
   63   3HZ   LYS   8          3HZ       LYS   8  61.517  12.502 -11.060
   64    H    ASN   9           H        ASN   9  65.831  10.970  -6.261
   65    HA   ASN   9           HA       ASN   9  66.784  10.882  -8.973
   66   1HB   ASN   9          2HB       ASN   9  68.463  10.605  -6.474
   67   2HB   ASN   9          1HB       ASN   9  68.870  11.437  -7.974
   68   1HD2  ASN   9          1HD2      ASN   9  65.963  12.547  -7.973
   69   2HD2  ASN   9          2HD2      ASN   9  66.032  13.835  -6.860
   70    H    LYS  10           H        LYS  10  66.648   8.461  -6.410
   71    HA   LYS  10           HA       LYS  10  68.327   6.592  -7.995
   72   1HB   LYS  10          2HB       LYS  10  67.022   6.380  -5.263
   73   2HB   LYS  10          1HB       LYS  10  68.207   5.250  -5.925
   74   1HG   LYS  10          2HG       LYS  10  68.689   8.201  -5.394
   75   2HG   LYS  10          1HG       LYS  10  69.281   6.870  -4.400
   76   1HD   LYS  10          2HD       LYS  10  70.646   6.032  -6.210
   77   2HD   LYS  10          1HD       LYS  10  69.941   7.188  -7.340
   78   1HE   LYS  10          2HE       LYS  10  70.933   9.061  -6.120
   79   2HE   LYS  10          1HE       LYS  10  71.561   7.954  -4.884
   80   1HZ   LYS  10          1HZ       LYS  10  73.231   7.340  -6.205
   81   2HZ   LYS  10          2HZ       LYS  10  72.819   8.636  -7.222
   82   3HZ   LYS  10          3HZ       LYS  10  72.203   7.084  -7.530
   83    H    GLY  11           H        GLY  11  65.038   7.387  -7.535
   84   1HA   GLY  11          2HA       GLY  11  63.208   6.430  -8.718
   85   2HA   GLY  11          1HA       GLY  11  64.232   5.060  -9.142
   86    H    CYS  12           H        CYS  12  64.298   5.889  -5.804
   87    HA   CYS  12           HA       CYS  12  63.269   3.340  -4.980
   88   1HB   CYS  12          2HB       CYS  12  63.336   5.905  -3.371
   89   2HB   CYS  12          1HB       CYS  12  63.498   4.256  -2.769
   90    H    MET  13           H        MET  13  61.702   6.346  -5.787
   91    HA   MET  13           HA       MET  13  59.182   5.596  -4.424
   92   1HB   MET  13          2HB       MET  13  60.181   7.975  -6.021
   93   2HB   MET  13          1HB       MET  13  58.534   7.868  -5.395
   94   1HG   MET  13          2HG       MET  13  60.217   7.185  -3.242
   95   2HG   MET  13          1HG       MET  13  60.958   8.593  -3.999
   96   1HE   MET  13          1HE       MET  13  58.175   6.827  -2.682
   97   2HE   MET  13          2HE       MET  13  56.771   7.796  -3.122
   98   3HE   MET  13          3HE       MET  13  57.460   7.939  -1.508
   99    H    ALA  14           H        ALA  14  60.489   4.371  -7.053
  100    HA   ALA  14           HA       ALA  14  58.175   4.757  -8.880
  101   1HB   ALA  14          1HB       ALA  14  60.767   4.936  -9.396
  102   2HB   ALA  14          2HB       ALA  14  59.676   4.213 -10.579
  103   3HB   ALA  14          3HB       ALA  14  60.643   3.181  -9.524
  104    H    CYS  15           H        CYS  15  59.888   2.308  -7.003
  105    HA   CYS  15           HA       CYS  15  57.918   0.246  -7.923
  106   1HB   CYS  15          2HB       CYS  15  60.735   0.213  -6.844
  107   2HB   CYS  15          1HB       CYS  15  59.747  -1.245  -6.844
  108    H    HIS  16           H        HIS  16  58.956   2.129  -5.170
  109    HA   HIS  16           HA       HIS  16  57.547   0.225  -3.335
  110   1HB   HIS  16          2HB       HIS  16  59.788   2.196  -3.122
  111   2HB   HIS  16          1HB       HIS  16  58.851   1.823  -1.673
  112    HD1  HIS  16           HD1      HIS  16  58.615  -0.864  -1.171
  113    HD2  HIS  16           HD2      HIS  16  61.734   0.308  -3.677
  114    HE1  HIS  16           HE1      HIS  16  60.246  -2.799  -1.236
  115    H    ALA  17           H        ALA  17  56.252   1.146  -1.620
  116    HA   ALA  17           HA       ALA  17  55.129   3.871  -2.135
  117   1HB   ALA  17          1HB       ALA  17  53.166   2.911  -2.741
  118   2HB   ALA  17          2HB       ALA  17  53.113   2.040  -1.208
  119   3HB   ALA  17          3HB       ALA  17  53.919   1.322  -2.603
  120    H    ILE  18           H        ILE  18  55.368   4.994  -0.232
  121    HA   ILE  18           HA       ILE  18  56.427   4.213   2.163
  122    HB   ILE  18           HB       ILE  18  54.180   6.135   1.521
  123   1HG1  ILE  18          2HG1      ILE  18  56.491   7.428   2.475
  124   2HG1  ILE  18          1HG1      ILE  18  57.080   6.145   1.417
  125   1HG2  ILE  18          1HG2      ILE  18  53.716   6.031   3.762
  126   2HG2  ILE  18          2HG2      ILE  18  55.141   7.065   3.877
  127   3HG2  ILE  18          3HG2      ILE  18  55.286   5.330   4.156
  128   1HD1  ILE  18          1HD1      ILE  18  56.269   8.566   0.502
  129   2HD1  ILE  18          2HD1      ILE  18  54.750   7.677   0.406
  130   3HD1  ILE  18          3HD1      ILE  18  56.171   7.089  -0.456
  131    H    ASP  19           H        ASP  19  53.156   3.495   1.075
  132    HA   ASP  19           HA       ASP  19  52.869   1.628   3.374
  133   1HB   ASP  19          2HB       ASP  19  51.825   4.216   3.391
  134   2HB   ASP  19          1HB       ASP  19  50.450   3.209   2.938
  135    H    THR  20           H        THR  20  51.640   2.836   0.275
  136    HA   THR  20           HA       THR  20  49.638   0.787  -0.097
  137    HB   THR  20           HB       THR  20  50.232   1.558  -2.602
  138    HG1  THR  20           HG1      THR  20  51.161   3.607  -2.543
  139   1HG2  THR  20          1HG2      THR  20  48.133   2.105  -1.632
  140   2HG2  THR  20          2HG2      THR  20  48.846   3.648  -2.098
  141   3HG2  THR  20          3HG2      THR  20  48.880   3.135  -0.411
  142    H    LYS  21           H        LYS  21  50.306  -0.306  -2.627
  143    HA   LYS  21           HA       LYS  21  52.844  -1.789  -2.149
  144   1HB   LYS  21          2HB       LYS  21  50.716  -2.880  -1.186
  145   2HB   LYS  21          1HB       LYS  21  50.243  -3.148  -2.866
  146   1HG   LYS  21          2HG       LYS  21  52.970  -3.952  -2.583
  147   2HG   LYS  21          1HG       LYS  21  52.043  -4.698  -1.280
  148   1HD   LYS  21          2HD       LYS  21  50.318  -5.205  -3.218
  149   2HD   LYS  21          1HD       LYS  21  51.741  -5.019  -4.244
  150   1HE   LYS  21          2HE       LYS  21  52.681  -6.616  -2.174
  151   2HE   LYS  21          1HE       LYS  21  51.038  -7.228  -2.455
  152   1HZ   LYS  21          1HZ       LYS  21  52.785  -8.173  -3.965
  153   2HZ   LYS  21          2HZ       LYS  21  52.944  -6.625  -4.646
  154   3HZ   LYS  21          3HZ       LYS  21  51.468  -7.458  -4.757
  155    H    MET  22           H        MET  22  53.990  -1.882  -4.040
  156    HA   MET  22           HA       MET  22  52.478  -1.844  -6.629
  157   1HB   MET  22          2HB       MET  22  54.731  -0.138  -5.591
  158   2HB   MET  22          1HB       MET  22  54.590  -0.426  -7.329
  159   1HG   MET  22          2HG       MET  22  52.994   1.153  -7.445
  160   2HG   MET  22          1HG       MET  22  51.985   0.197  -6.358
  161   1HE   MET  22          1HE       MET  22  54.763   2.428  -6.904
  162   2HE   MET  22          2HE       MET  22  55.099   3.326  -5.426
  163   3HE   MET  22          3HE       MET  22  53.773   3.828  -6.472
  164    H    VAL  23           H        VAL  23  55.937  -1.681  -6.668
  165    HA   VAL  23           HA       VAL  23  56.059  -4.439  -7.720
  166    HB   VAL  23           HB       VAL  23  58.162  -2.264  -7.458
  167   1HG1  VAL  23          1HG1      VAL  23  58.509  -4.935  -8.014
  168   2HG1  VAL  23          2HG1      VAL  23  59.586  -3.650  -8.561
  169   3HG1  VAL  23          3HG1      VAL  23  58.318  -4.251  -9.628
  170   1HG2  VAL  23          1HG2      VAL  23  56.273  -2.980  -9.722
  171   2HG2  VAL  23          2HG2      VAL  23  57.647  -1.886  -9.888
  172   3HG2  VAL  23          3HG2      VAL  23  56.309  -1.466  -8.819
  173    H    GLY  24           H        GLY  24  57.097  -2.533  -4.954
  174   1HA   GLY  24          2HA       GLY  24  58.179  -5.032  -3.715
  175   2HA   GLY  24          1HA       GLY  24  58.937  -3.456  -3.451
  176    HA   PRO  25           HA       PRO  25  55.389  -4.488  -0.386
  177   1HB   PRO  25          2HB       PRO  25  57.355  -4.578   1.713
  178   2HB   PRO  25          1HB       PRO  25  56.315  -5.885   1.140
  179   1HG   PRO  25          2HG       PRO  25  59.143  -5.591   0.756
  180   2HG   PRO  25          1HG       PRO  25  58.099  -6.894   0.181
  181   1HD   PRO  25          2HD       PRO  25  59.345  -4.807  -1.378
  182   2HD   PRO  25          1HD       PRO  25  58.283  -6.116  -1.956
  183    H    ALA  26           H        ALA  26  54.524  -2.745   0.795
  184    HA   ALA  26           HA       ALA  26  55.308  -0.115   0.459
  185   1HB   ALA  26          1HB       ALA  26  53.280  -0.281   1.523
  186   2HB   ALA  26          2HB       ALA  26  54.262  -0.045   2.968
  187   3HB   ALA  26          3HB       ALA  26  53.787  -1.672   2.481
  188    H    TYR  27           H        TYR  27  56.694   1.343   1.586
  189    HA   TYR  27           HA       TYR  27  59.111   0.269   2.681
  190   1HB   TYR  27          2HB       TYR  27  57.773   2.937   2.423
  191   2HB   TYR  27          1HB       TYR  27  59.203   2.812   3.441
  192    HD1  TYR  27           HD1      TYR  27  60.705   0.669   1.916
  193    HD2  TYR  27           HD2      TYR  27  58.597   4.168   0.578
  194    HE1  TYR  27           HE1      TYR  27  62.138   0.763  -0.103
  195    HE2  TYR  27           HE2      TYR  27  60.035   4.262  -1.438
  196    HH   TYR  27           HH       TYR  27  61.596   2.004  -2.689
  197    H    LYS  28           H        LYS  28  56.622   2.245   4.364
  198    HA   LYS  28           HA       LYS  28  57.500   1.926   6.989
  199   1HB   LYS  28          2HB       LYS  28  55.303   2.950   5.694
  200   2HB   LYS  28          1HB       LYS  28  54.589   1.612   6.592
  201   1HG   LYS  28          2HG       LYS  28  55.566   2.462   8.677
  202   2HG   LYS  28          1HG       LYS  28  56.338   3.780   7.793
  203   1HD   LYS  28          2HD       LYS  28  53.453   3.560   7.284
  204   2HD   LYS  28          1HD       LYS  28  53.847   3.918   8.966
  205   1HE   LYS  28          2HE       LYS  28  55.538   5.509   7.262
  206   2HE   LYS  28          1HE       LYS  28  53.842   5.738   6.787
  207   1HZ   LYS  28          1HZ       LYS  28  55.112   6.188   9.404
  208   2HZ   LYS  28          2HZ       LYS  28  53.470   5.753   9.342
  209   3HZ   LYS  28          3HZ       LYS  28  54.007   7.166   8.567
  210    H    ASP  29           H        ASP  29  55.330  -0.252   5.182
  211    HA   ASP  29           HA       ASP  29  54.914  -2.218   7.175
  212   1HB   ASP  29          2HB       ASP  29  54.998  -2.104   4.182
  213   2HB   ASP  29          1HB       ASP  29  54.901  -3.692   4.945
  214    H    VAL  30           H        VAL  30  57.603  -1.871   4.855
  215    HA   VAL  30           HA       VAL  30  58.994  -4.275   5.374
  216    HB   VAL  30           HB       VAL  30  59.994  -1.475   4.763
  217   1HG1  VAL  30          1HG1      VAL  30  61.436  -3.877   5.360
  218   2HG1  VAL  30          2HG1      VAL  30  62.077  -2.313   4.853
  219   3HG1  VAL  30          3HG1      VAL  30  61.635  -3.519   3.644
  220   1HG2  VAL  30          1HG2      VAL  30  60.078  -3.318   2.564
  221   2HG2  VAL  30          2HG2      VAL  30  59.153  -1.822   2.703
  222   3HG2  VAL  30          3HG2      VAL  30  58.457  -3.345   3.259
  223    H    ALA  31           H        ALA  31  59.235  -1.133   7.042
  224    HA   ALA  31           HA       ALA  31  61.263  -1.947   8.920
  225   1HB   ALA  31          1HB       ALA  31  59.353   0.110   9.785
  226   2HB   ALA  31          2HB       ALA  31  59.952   0.366   8.146
  227   3HB   ALA  31          3HB       ALA  31  61.086   0.247   9.492
  228    H    ALA  32           H        ALA  32  57.748  -2.192   8.895
  229    HA   ALA  32           HA       ALA  32  57.430  -2.793  11.708
  230   1HB   ALA  32          1HB       ALA  32  55.818  -2.114   9.640
  231   2HB   ALA  32          2HB       ALA  32  55.211  -2.875  11.111
  232   3HB   ALA  32          3HB       ALA  32  55.530  -3.853   9.678
  233    H    LYS  33           H        LYS  33  58.301  -4.693   8.893
  234    HA   LYS  33           HA       LYS  33  57.791  -7.254  10.267
  235   1HB   LYS  33          2HB       LYS  33  57.555  -6.513   7.722
  236   2HB   LYS  33          1HB       LYS  33  59.259  -6.975   7.669
  237   1HG   LYS  33          2HG       LYS  33  58.001  -8.938   7.097
  238   2HG   LYS  33          1HG       LYS  33  58.581  -9.174   8.746
  239   1HD   LYS  33          2HD       LYS  33  56.314  -9.783   8.894
  240   2HD   LYS  33          1HD       LYS  33  56.313  -8.111   9.455
  241   1HE   LYS  33          2HE       LYS  33  55.931  -7.585   6.876
  242   2HE   LYS  33          1HE       LYS  33  55.289  -9.238   6.872
  243   1HZ   LYS  33          1HZ       LYS  33  54.502  -7.665   9.159
  244   2HZ   LYS  33          2HZ       LYS  33  53.564  -8.665   8.157
  245   3HZ   LYS  33          3HZ       LYS  33  53.905  -7.068   7.689
  246    H    TYR  34           H        TYR  34  60.551  -5.256   9.237
  247    HA   TYR  34           HA       TYR  34  62.467  -7.228  10.359
  248   1HB   TYR  34          2HB       TYR  34  62.511  -4.806   8.607
  249   2HB   TYR  34          1HB       TYR  34  63.985  -5.189   9.505
  250    HD1  TYR  34           HD1      TYR  34  61.376  -6.867   7.387
  251    HD2  TYR  34           HD2      TYR  34  65.496  -6.711   8.596
  252    HE1  TYR  34           HE1      TYR  34  61.928  -8.639   5.741
  253    HE2  TYR  34           HE2      TYR  34  66.045  -8.484   6.952
  254    HH   TYR  34           HH       TYR  34  65.133  -9.398   4.866
  255    H    ALA  35           H        ALA  35  60.580  -4.774  11.578
  256    HA   ALA  35           HA       ALA  35  62.261  -3.132  13.131
  257   1HB   ALA  35          1HB       ALA  35  59.484  -4.222  13.308
  258   2HB   ALA  35          2HB       ALA  35  60.025  -2.547  13.201
  259   3HB   ALA  35          3HB       ALA  35  60.132  -3.412  14.734
  260    H    GLY  36           H        GLY  36  63.965  -3.996  14.296
  261   1HA   GLY  36          2HA       GLY  36  64.529  -4.880  16.538
  262   2HA   GLY  36          1HA       GLY  36  63.284  -6.108  16.301
  263    H    GLN  37           H        GLN  37  66.416  -4.998  15.013
  264    HA   GLN  37           HA       GLN  37  67.122  -7.849  14.516
  265   1HB   GLN  37          2HB       GLN  37  66.603  -5.703  12.552
  266   2HB   GLN  37          1HB       GLN  37  68.093  -6.607  12.276
  267   1HG   GLN  37          2HG       GLN  37  66.327  -8.622  12.869
  268   2HG   GLN  37          1HG       GLN  37  65.290  -7.481  12.013
  269   1HE2  GLN  37          1HE2      GLN  37  65.825  -9.897  10.733
  270   2HE2  GLN  37          2HE2      GLN  37  66.903  -9.646   9.435
  271    H    ALA  38           H        ALA  38  69.522  -8.017  13.987
  272    HA   ALA  38           HA       ALA  38  71.052  -6.292  15.805
  273   1HB   ALA  38          1HB       ALA  38  72.152  -8.253  15.980
  274   2HB   ALA  38          2HB       ALA  38  72.672  -8.098  14.300
  275   3HB   ALA  38          3HB       ALA  38  71.162  -8.925  14.684
  276    H    GLY  39           H        GLY  39  70.041  -4.834  13.565
  277   1HA   GLY  39          2HA       GLY  39  71.429  -3.018  12.550
  278   2HA   GLY  39          1HA       GLY  39  72.583  -4.271  12.090
  279    H    ALA  40           H        ALA  40  69.023  -4.205  11.812
  280    HA   ALA  40           HA       ALA  40  68.993  -5.429   9.226
  281   1HB   ALA  40          1HB       ALA  40  66.615  -4.194   9.352
  282   2HB   ALA  40          2HB       ALA  40  67.115  -3.960  11.027
  283   3HB   ALA  40          3HB       ALA  40  66.984  -5.589  10.366
  284    H    GLU  41           H        GLU  41  69.257  -2.069  10.243
  285    HA   GLU  41           HA       GLU  41  68.655  -0.903   7.653
  286   1HB   GLU  41          2HB       GLU  41  68.428   0.481   9.568
  287   2HB   GLU  41          1HB       GLU  41  69.990  -0.020  10.218
  288   1HG   GLU  41          2HG       GLU  41  70.129   1.230   7.550
  289   2HG   GLU  41          1HG       GLU  41  69.572   2.307   8.831
  290    H    ALA  42           H        ALA  42  71.582  -2.036   9.295
  291    HA   ALA  42           HA       ALA  42  73.502  -1.004   7.421
  292   1HB   ALA  42          1HB       ALA  42  75.002  -2.401   8.627
  293   2HB   ALA  42          2HB       ALA  42  73.738  -3.573   8.998
  294   3HB   ALA  42          3HB       ALA  42  73.750  -2.005   9.805
  295    H    TYR  43           H        TYR  43  71.998  -4.257   7.729
  296    HA   TYR  43           HA       TYR  43  73.146  -5.267   5.275
  297   1HB   TYR  43          2HB       TYR  43  72.227  -6.566   7.255
  298   2HB   TYR  43          1HB       TYR  43  70.606  -6.103   6.728
  299    HD1  TYR  43           HD1      TYR  43  73.754  -7.634   5.361
  300    HD2  TYR  43           HD2      TYR  43  69.462  -7.510   5.271
  301    HE1  TYR  43           HE1      TYR  43  73.733  -9.526   3.757
  302    HE2  TYR  43           HE2      TYR  43  69.440  -9.399   3.665
  303    HH   TYR  43           HH       TYR  43  72.289 -11.231   2.947
  304    H    LEU  44           H        LEU  44  70.342  -3.333   6.057
  305    HA   LEU  44           HA       LEU  44  68.894  -3.719   3.576
  306   1HB   LEU  44          2HB       LEU  44  68.965  -1.784   5.875
  307   2HB   LEU  44          1HB       LEU  44  68.081  -1.316   4.418
  308    HG   LEU  44           HG       LEU  44  67.655  -3.956   5.841
  309   1HD1  LEU  44          1HD1      LEU  44  66.992  -1.449   6.841
  310   2HD1  LEU  44          2HD1      LEU  44  66.228  -2.972   7.295
  311   3HD1  LEU  44          3HD1      LEU  44  65.515  -1.970   6.030
  312   1HD2  LEU  44          1HD2      LEU  44  65.773  -4.193   4.421
  313   2HD2  LEU  44          2HD2      LEU  44  67.035  -3.571   3.358
  314   3HD2  LEU  44          3HD2      LEU  44  65.789  -2.488   3.975
  315    H    ALA  45           H        ALA  45  71.642  -1.853   4.611
  316    HA   ALA  45           HA       ALA  45  71.656   0.007   2.371
  317   1HB   ALA  45          1HB       ALA  45  74.221  -0.406   3.607
  318   2HB   ALA  45          2HB       ALA  45  72.974  -0.413   4.855
  319   3HB   ALA  45          3HB       ALA  45  73.137   0.974   3.778
  320    H    GLN  46           H        GLN  46  73.305  -3.050   3.189
  321    HA   GLN  46           HA       GLN  46  74.891  -3.051   0.737
  322   1HB   GLN  46          2HB       GLN  46  74.558  -4.582   3.183
  323   2HB   GLN  46          1HB       GLN  46  74.697  -5.653   1.789
  324   1HG   GLN  46          2HG       GLN  46  76.822  -4.877   1.230
  325   2HG   GLN  46          1HG       GLN  46  76.586  -3.337   2.056
  326   1HE2  GLN  46          1HE2      GLN  46  76.569  -6.845   2.945
  327   2HE2  GLN  46          2HE2      GLN  46  77.455  -6.627   4.385
  328    H    ARG  47           H        ARG  47  71.686  -4.043   1.625
  329    HA   ARG  47           HA       ARG  47  71.373  -5.834  -0.709
  330   1HB   ARG  47          2HB       ARG  47  69.561  -4.848   1.518
  331   2HB   ARG  47          1HB       ARG  47  69.032  -5.970   0.263
  332   1HG   ARG  47          2HG       ARG  47  71.406  -6.459   2.085
  333   2HG   ARG  47          1HG       ARG  47  69.792  -7.115   2.363
  334   1HD   ARG  47          2HD       ARG  47  70.802  -7.581  -0.370
  335   2HD   ARG  47          1HD       ARG  47  71.733  -8.397   0.902
  336    HE   ARG  47           HE       ARG  47  68.898  -8.646   1.389
  337   1HH1  ARG  47          1HH1      ARG  47  71.530  -9.797  -0.530
  338   2HH1  ARG  47          2HH1      ARG  47  70.825 -11.356  -0.791
  339   1HH2  ARG  47          1HH2      ARG  47  67.969 -10.671   1.055
  340   2HH2  ARG  47          2HH2      ARG  47  68.807 -11.852   0.105
  341    H    ILE  48           H        ILE  48  70.899  -2.520   0.156
  342    HA   ILE  48           HA       ILE  48  68.929  -1.970  -1.964
  343    HB   ILE  48           HB       ILE  48  70.495  -0.374   0.072
  344   1HG1  ILE  48          2HG1      ILE  48  67.503  -0.590  -0.311
  345   2HG1  ILE  48          1HG1      ILE  48  68.404  -1.780   0.628
  346   1HG2  ILE  48          1HG2      ILE  48  69.304   0.547  -2.424
  347   2HG2  ILE  48          2HG2      ILE  48  70.293   1.434  -1.262
  348   3HG2  ILE  48          3HG2      ILE  48  68.550   1.311  -1.023
  349   1HD1  ILE  48          1HD1      ILE  48  68.040  -0.346   2.359
  350   2HD1  ILE  48          2HD1      ILE  48  67.725   1.019   1.289
  351   3HD1  ILE  48          3HD1      ILE  48  69.385   0.553   1.661
  352    H    LYS  49           H        LYS  49  72.401  -1.766  -1.426
  353    HA   LYS  49           HA       LYS  49  72.930  -0.196  -3.842
  354   1HB   LYS  49          2HB       LYS  49  74.256  -0.210  -1.683
  355   2HB   LYS  49          1HB       LYS  49  74.796  -1.836  -2.104
  356   1HG   LYS  49          2HG       LYS  49  76.094  -1.100  -3.874
  357   2HG   LYS  49          1HG       LYS  49  75.096   0.329  -4.147
  358   1HD   LYS  49          2HD       LYS  49  77.242   1.004  -3.190
  359   2HD   LYS  49          1HD       LYS  49  75.955   1.298  -2.020
  360   1HE   LYS  49          2HE       LYS  49  76.906  -1.394  -1.667
  361   2HE   LYS  49          1HE       LYS  49  78.289  -0.283  -1.643
  362   1HZ   LYS  49          1HZ       LYS  49  76.771  -0.645   0.478
  363   2HZ   LYS  49          2HZ       LYS  49  75.850   0.567  -0.276
  364   3HZ   LYS  49          3HZ       LYS  49  77.476   0.857   0.128
  365    H    ASN  50           H        ASN  50  72.726  -3.588  -2.965
  366    HA   ASN  50           HA       ASN  50  73.654  -4.328  -5.721
  367   1HB   ASN  50          2HB       ASN  50  74.220  -5.291  -3.001
  368   2HB   ASN  50          1HB       ASN  50  73.839  -6.585  -4.137
  369   1HD2  ASN  50          1HD2      ASN  50  75.132  -6.548  -6.248
  370   2HD2  ASN  50          2HD2      ASN  50  76.735  -5.967  -6.189
  371    H    GLY  51           H        GLY  51  70.954  -4.097  -3.753
  372   1HA   GLY  51          2HA       GLY  51  68.818  -5.097  -3.767
  373   2HA   GLY  51          1HA       GLY  51  69.104  -5.253  -5.500
  374    H    SER  52           H        SER  52  67.658  -7.303  -4.650
  375    HA   SER  52           HA       SER  52  69.142  -9.653  -5.164
  376   1HB   SER  52          2HB       SER  52  69.617  -8.513  -2.546
  377   2HB   SER  52          1HB       SER  52  68.932 -10.129  -2.391
  378    HG   SER  52           HG       SER  52  70.560 -10.784  -3.948
  379    H    GLN  53           H        GLN  53  67.999 -11.691  -4.467
  380    HA   GLN  53           HA       GLN  53  65.070 -11.172  -4.173
  381   1HB   GLN  53          2HB       GLN  53  64.859 -12.711  -5.830
  382   2HB   GLN  53          1HB       GLN  53  66.602 -12.602  -6.023
  383   1HG   GLN  53          2HG       GLN  53  65.140 -14.580  -4.244
  384   2HG   GLN  53          1HG       GLN  53  65.894 -14.943  -5.792
  385   1HE2  GLN  53          1HE2      GLN  53  68.327 -13.605  -5.636
  386   2HE2  GLN  53          2HE2      GLN  53  69.246 -14.214  -4.334
  387    H    GLY  54           H        GLY  54  64.077 -13.435  -3.172
  388   1HA   GLY  54          2HA       GLY  54  63.893 -14.783  -1.248
  389   2HA   GLY  54          1HA       GLY  54  65.641 -14.624  -1.046
  390    H    VAL  55           H        VAL  55  63.852 -11.718  -1.402
  391    HA   VAL  55           HA       VAL  55  64.437 -10.997   1.424
  392    HB   VAL  55           HB       VAL  55  63.427  -9.329  -0.902
  393   1HG1  VAL  55          1HG1      VAL  55  63.834  -7.494   0.400
  394   2HG1  VAL  55          2HG1      VAL  55  65.205  -8.248   1.213
  395   3HG1  VAL  55          3HG1      VAL  55  63.559  -8.644   1.708
  396   1HG2  VAL  55          1HG2      VAL  55  65.681  -8.879  -1.511
  397   2HG2  VAL  55          2HG2      VAL  55  65.618 -10.628  -1.292
  398   3HG2  VAL  55          3HG2      VAL  55  66.307  -9.606  -0.032
  399    H    TRP  56           H        TRP  56  61.773 -10.194  -0.818
  400    HA   TRP  56           HA       TRP  56  59.837 -10.716   1.406
  401   1HB   TRP  56          2HB       TRP  56  59.905  -8.752  -0.903
  402   2HB   TRP  56          1HB       TRP  56  58.508  -8.974   0.144
  403    HD1  TRP  56           HD1      TRP  56  61.996  -7.518   0.059
  404    HE1  TRP  56           HE1      TRP  56  62.399  -6.136   2.197
  405    HE3  TRP  56           HE3      TRP  56  57.821  -8.771   2.728
  406    HZ2  TRP  56           HZ2      TRP  56  61.127  -5.628   4.699
  407    HZ3  TRP  56           HZ3      TRP  56  57.448  -7.819   4.988
  408    HH2  TRP  56           HH2      TRP  56  59.092  -6.249   5.971
  409    H    GLY  57           H        GLY  57  60.459 -10.948  -2.080
  410   1HA   GLY  57          2HA       GLY  57  58.702 -13.311  -2.231
  411   2HA   GLY  57          1HA       GLY  57  58.209 -11.932  -3.214
  412    HA   PRO  58           HA       PRO  58  61.239 -14.570  -5.607
  413   1HB   PRO  58          2HB       PRO  58  59.346 -14.513  -7.769
  414   2HB   PRO  58          1HB       PRO  58  59.839 -15.898  -6.789
  415   1HG   PRO  58          2HG       PRO  58  57.309 -14.604  -6.769
  416   2HG   PRO  58          1HG       PRO  58  57.863 -15.880  -5.679
  417   1HD   PRO  58          2HD       PRO  58  57.502 -13.026  -5.124
  418   2HD   PRO  58          1HD       PRO  58  57.807 -14.356  -3.980
  419    H    ILE  59           H        ILE  59  60.173 -11.433  -5.616
  420    HA   ILE  59           HA       ILE  59  61.384 -10.787  -8.275
  421    HB   ILE  59           HB       ILE  59  59.726  -9.046  -6.429
  422   1HG1  ILE  59          2HG1      ILE  59  58.870 -10.916  -8.661
  423   2HG1  ILE  59          1HG1      ILE  59  58.354 -10.958  -6.974
  424   1HG2  ILE  59          1HG2      ILE  59  59.370  -8.434  -9.169
  425   2HG2  ILE  59          2HG2      ILE  59  61.104  -8.649  -8.933
  426   3HG2  ILE  59          3HG2      ILE  59  60.221  -7.473  -7.959
  427   1HD1  ILE  59          1HD1      ILE  59  56.595  -9.699  -7.646
  428   2HD1  ILE  59          2HD1      ILE  59  57.366  -9.298  -9.180
  429   3HD1  ILE  59          3HD1      ILE  59  57.747  -8.366  -7.732
  430    HA   PRO  60           HA       PRO  60  64.711  -9.665  -5.261
  431   1HB   PRO  60          2HB       PRO  60  66.434  -9.627  -7.564
  432   2HB   PRO  60          1HB       PRO  60  66.410 -10.797  -6.250
  433   1HG   PRO  60          2HG       PRO  60  65.517 -11.155  -8.962
  434   2HG   PRO  60          1HG       PRO  60  65.549 -12.347  -7.657
  435   1HD   PRO  60          2HD       PRO  60  63.242 -11.097  -8.811
  436   2HD   PRO  60          1HD       PRO  60  63.289 -12.204  -7.418
  437    H    MET  61           H        MET  61  65.566  -7.568  -4.966
  438    HA   MET  61           HA       MET  61  64.481  -5.430  -6.632
  439   1HB   MET  61          2HB       MET  61  64.704  -5.241  -4.206
  440   2HB   MET  61          1HB       MET  61  66.442  -5.527  -4.317
  441   1HG   MET  61          2HG       MET  61  65.762  -3.384  -6.096
  442   2HG   MET  61          1HG       MET  61  65.066  -3.045  -4.513
  443   1HE   MET  61          1HE       MET  61  66.105  -3.653  -2.498
  444   2HE   MET  61          2HE       MET  61  66.821  -2.047  -2.375
  445   3HE   MET  61          3HE       MET  61  67.811  -3.470  -2.069
  446    HA   PRO  62           HA       PRO  62  68.004  -5.464  -9.391
  447   1HB   PRO  62          2HB       PRO  62  67.351  -2.791 -10.234
  448   2HB   PRO  62          1HB       PRO  62  67.031  -4.302 -11.090
  449   1HG   PRO  62          2HG       PRO  62  65.126  -2.587  -9.835
  450   2HG   PRO  62          1HG       PRO  62  64.823  -4.144 -10.612
  451   1HD   PRO  62          2HD       PRO  62  64.804  -3.511  -7.772
  452   2HD   PRO  62          1HD       PRO  62  64.375  -5.046  -8.568
  453    HA   PRO  63           HA       PRO  63  70.784  -3.335  -6.626
  454   1HB   PRO  63          2HB       PRO  63  72.813  -3.251  -8.655
  455   2HB   PRO  63          1HB       PRO  63  72.693  -4.350  -7.280
  456   1HG   PRO  63          2HG       PRO  63  72.239  -4.938 -10.065
  457   2HG   PRO  63          1HG       PRO  63  72.187  -6.045  -8.691
  458   1HD   PRO  63          2HD       PRO  63  69.968  -5.082 -10.235
  459   2HD   PRO  63          1HD       PRO  63  69.906  -6.111  -8.781
  460    H    ASN  64           H        ASN  64  71.037  -1.143  -6.284
  461    HA   ASN  64           HA       ASN  64  70.535   0.677  -8.603
  462   1HB   ASN  64          2HB       ASN  64  70.356   1.123  -5.604
  463   2HB   ASN  64          1HB       ASN  64  69.786   2.230  -6.857
  464   1HD2  ASN  64          1HD2      ASN  64  69.286  -1.136  -5.664
  465   2HD2  ASN  64          2HD2      ASN  64  67.647  -1.215  -6.128
  466    H    ALA  65           H        ALA  65  71.796   2.724  -8.615
  467    HA   ALA  65           HA       ALA  65  74.638   2.237  -7.991
  468   1HB   ALA  65          1HB       ALA  65  74.975   3.806  -9.641
  469   2HB   ALA  65          2HB       ALA  65  73.652   4.826  -9.078
  470   3HB   ALA  65          3HB       ALA  65  73.309   3.394 -10.048
  471    H    VAL  66           H        VAL  66  73.056   2.489  -5.644
  472    HA   VAL  66           HA       VAL  66  73.477   5.266  -4.666
  473    HB   VAL  66           HB       VAL  66  72.201   4.306  -2.690
  474   1HG1  VAL  66          1HG1      VAL  66  70.802   5.443  -4.161
  475   2HG1  VAL  66          2HG1      VAL  66  70.099   3.827  -4.218
  476   3HG1  VAL  66          3HG1      VAL  66  71.173   4.366  -5.508
  477   1HG2  VAL  66          1HG2      VAL  66  73.006   1.889  -3.794
  478   2HG2  VAL  66          2HG2      VAL  66  71.304   1.988  -4.245
  479   3HG2  VAL  66          3HG2      VAL  66  71.774   2.084  -2.548
  480    H    SER  67           H        SER  67  75.490   5.656  -3.818
  481    HA   SER  67           HA       SER  67  77.443   3.771  -3.059
  482   1HB   SER  67          2HB       SER  67  78.313   5.750  -1.715
  483   2HB   SER  67          1HB       SER  67  77.930   6.118  -3.395
  484    HG   SER  67           HG       SER  67  76.906   7.674  -2.274
  485    H    ASP  68           H        ASP  68  78.209   4.068  -0.475
  486    HA   ASP  68           HA       ASP  68  76.220   2.516   0.993
  487   1HB   ASP  68          2HB       ASP  68  78.014   2.712   2.782
  488   2HB   ASP  68          1HB       ASP  68  78.586   2.058   1.247
  489    H    ASP  69           H        ASP  69  77.561   5.817   1.237
  490    HA   ASP  69           HA       ASP  69  76.079   6.598   3.569
  491   1HB   ASP  69          2HB       ASP  69  76.810   8.807   2.936
  492   2HB   ASP  69          1HB       ASP  69  78.092   7.699   2.444
  493    H    GLU  70           H        GLU  70  75.360   6.667   0.100
  494    HA   GLU  70           HA       GLU  70  72.891   8.144   0.307
  495   1HB   GLU  70          2HB       GLU  70  74.301   6.405  -1.688
  496   2HB   GLU  70          1HB       GLU  70  72.615   6.832  -1.986
  497   1HG   GLU  70          2HG       GLU  70  73.246   9.247  -1.637
  498   2HG   GLU  70          1HG       GLU  70  74.934   8.739  -1.575
  499    H    ALA  71           H        ALA  71  73.561   4.647  -0.072
  500    HA   ALA  71           HA       ALA  71  70.830   3.790   0.189
  501   1HB   ALA  71          1HB       ALA  71  72.816   1.927   1.229
  502   2HB   ALA  71          2HB       ALA  71  73.387   2.696  -0.251
  503   3HB   ALA  71          3HB       ALA  71  71.861   1.815  -0.249
  504    H    GLN  72           H        GLN  72  73.145   4.960   2.479
  505    HA   GLN  72           HA       GLN  72  72.076   3.660   4.842
  506   1HB   GLN  72          2HB       GLN  72  74.089   5.635   4.069
  507   2HB   GLN  72          1HB       GLN  72  73.281   6.075   5.575
  508   1HG   GLN  72          2HG       GLN  72  73.968   3.223   5.402
  509   2HG   GLN  72          1HG       GLN  72  75.371   4.291   5.377
  510   1HE2  GLN  72          1HE2      GLN  72  72.310   5.052   7.037
  511   2HE2  GLN  72          2HE2      GLN  72  72.965   5.014   8.612
  512    H    THR  73           H        THR  73  71.687   6.883   3.373
  513    HA   THR  73           HA       THR  73  69.664   7.783   5.236
  514    HB   THR  73           HB       THR  73  70.041   8.671   2.366
  515    HG1  THR  73           HG1      THR  73  71.758   9.926   3.130
  516   1HG2  THR  73          1HG2      THR  73  69.690  10.461   4.740
  517   2HG2  THR  73          2HG2      THR  73  68.289   9.587   4.124
  518   3HG2  THR  73          3HG2      THR  73  69.166  10.699   3.074
  519    H    LEU  74           H        LEU  74  69.697   5.789   2.379
  520    HA   LEU  74           HA       LEU  74  66.865   5.999   1.744
  521   1HB   LEU  74          2HB       LEU  74  69.056   3.998   1.086
  522   2HB   LEU  74          1HB       LEU  74  67.455   3.971   0.357
  523    HG   LEU  74           HG       LEU  74  69.243   6.405   0.271
  524   1HD1  LEU  74          1HD1      LEU  74  69.141   5.375  -2.289
  525   2HD1  LEU  74          2HD1      LEU  74  69.305   3.923  -1.301
  526   3HD1  LEU  74          3HD1      LEU  74  70.507   5.209  -1.185
  527   1HD2  LEU  74          1HD2      LEU  74  67.511   7.389  -0.797
  528   2HD2  LEU  74          2HD2      LEU  74  66.527   6.029  -0.260
  529   3HD2  LEU  74          3HD2      LEU  74  67.287   5.993  -1.852
  530    H    ALA  75           H        ALA  75  68.881   3.886   3.749
  531    HA   ALA  75           HA       ALA  75  66.796   1.953   4.334
  532   1HB   ALA  75          1HB       ALA  75  69.166   2.593   6.087
  533   2HB   ALA  75          2HB       ALA  75  69.409   1.854   4.505
  534   3HB   ALA  75          3HB       ALA  75  68.456   1.019   5.730
  535    H    LYS  76           H        LYS  76  68.088   4.840   5.969
  536    HA   LYS  76           HA       LYS  76  66.365   4.649   8.293
  537   1HB   LYS  76          2HB       LYS  76  68.275   6.540   7.022
  538   2HB   LYS  76          1HB       LYS  76  67.075   7.272   8.088
  539   1HG   LYS  76          2HG       LYS  76  67.751   5.331   9.724
  540   2HG   LYS  76          1HG       LYS  76  69.219   5.275   8.746
  541   1HD   LYS  76          2HD       LYS  76  68.822   7.997   9.192
  542   2HD   LYS  76          1HD       LYS  76  68.398   7.250  10.734
  543   1HE   LYS  76          2HE       LYS  76  70.562   6.705  11.173
  544   2HE   LYS  76          1HE       LYS  76  70.825   6.104   9.524
  545   1HZ   LYS  76          1HZ       LYS  76  70.697   8.530   8.842
  546   2HZ   LYS  76          2HZ       LYS  76  72.106   8.045   9.657
  547   3HZ   LYS  76          3HZ       LYS  76  70.897   8.904  10.484
  548    H    TRP  77           H        TRP  77  66.072   5.950   5.064
  549    HA   TRP  77           HA       TRP  77  63.793   7.672   5.533
  550   1HB   TRP  77          2HB       TRP  77  65.343   7.906   3.648
  551   2HB   TRP  77          1HB       TRP  77  64.916   6.291   3.072
  552    HD1  TRP  77           HD1      TRP  77  62.948   9.504   4.005
  553    HE1  TRP  77           HE1      TRP  77  61.113   9.849   2.225
  554    HE3  TRP  77           HE3      TRP  77  63.811   5.434   1.052
  555    HZ2  TRP  77           HZ2      TRP  77  60.143   8.569  -0.140
  556    HZ3  TRP  77           HZ3      TRP  77  62.419   5.021  -0.957
  557    HH2  TRP  77           HH2      TRP  77  60.588   6.581  -1.553
  558    H    ILE  78           H        ILE  78  64.176   4.314   4.371
  559    HA   ILE  78           HA       ILE  78  61.394   3.811   3.848
  560    HB   ILE  78           HB       ILE  78  63.715   2.013   4.643
  561   1HG1  ILE  78          2HG1      ILE  78  62.692   2.150   1.853
  562   2HG1  ILE  78          1HG1      ILE  78  63.570   3.568   2.428
  563   1HG2  ILE  78          1HG2      ILE  78  62.153   0.424   3.151
  564   2HG2  ILE  78          2HG2      ILE  78  60.900   1.462   3.832
  565   3HG2  ILE  78          3HG2      ILE  78  61.964   0.546   4.900
  566   1HD1  ILE  78          1HD1      ILE  78  64.538   0.778   1.999
  567   2HD1  ILE  78          2HD1      ILE  78  65.244   1.694   3.331
  568   3HD1  ILE  78          3HD1      ILE  78  65.352   2.311   1.683
  569    H    LEU  79           H        LEU  79  63.431   3.060   6.697
  570    HA   LEU  79           HA       LEU  79  61.246   1.978   8.258
  571   1HB   LEU  79          2HB       LEU  79  64.083   2.875   8.704
  572   2HB   LEU  79          1HB       LEU  79  63.076   2.445  10.088
  573    HG   LEU  79           HG       LEU  79  62.676   0.426   8.138
  574   1HD1  LEU  79          1HD1      LEU  79  64.692   0.953   6.987
  575   2HD1  LEU  79          2HD1      LEU  79  65.110  -0.387   8.054
  576   3HD1  LEU  79          3HD1      LEU  79  65.560   1.261   8.491
  577   1HD2  LEU  79          1HD2      LEU  79  62.807   0.472  10.762
  578   2HD2  LEU  79          2HD2      LEU  79  64.517   0.131  10.499
  579   3HD2  LEU  79          3HD2      LEU  79  63.292  -0.988   9.900
  580    H    SER  80           H        SER  80  62.271   5.200   7.538
  581    HA   SER  80           HA       SER  80  60.637   6.243   9.830
  582   1HB   SER  80          2HB       SER  80  63.259   6.655   9.359
  583   2HB   SER  80          1HB       SER  80  62.595   7.949   8.366
  584    HG   SER  80           HG       SER  80  61.510   8.723  10.183
  585    H    GLN  81           H        GLN  81  60.238   5.576   6.694
  586    HA   GLN  81           HA       GLN  81  59.617   7.643   5.076
  587   1HB   GLN  81          2HB       GLN  81  58.046   5.212   5.902
  588   2HB   GLN  81          1HB       GLN  81  57.397   6.296   4.673
  589   1HG   GLN  81          2HG       GLN  81  60.032   4.814   4.587
  590   2HG   GLN  81          1HG       GLN  81  58.624   4.539   3.564
  591   1HE2  GLN  81          1HE2      GLN  81  58.313   7.674   3.589
  592   2HE2  GLN  81          2HE2      GLN  81  59.429   8.165   2.400
  593    H    LYS  82           H        LYS  82  58.461   9.535   5.199
  594    HA   LYS  82           HA       LYS  82  55.933   9.825   6.528
  595   1HB   LYS  82          2HB       LYS  82  57.191   9.537   8.559
  596   2HB   LYS  82          1HB       LYS  82  58.446  10.648   8.010
  597   1HG   LYS  82          2HG       LYS  82  56.833  12.508   8.047
  598   2HG   LYS  82          1HG       LYS  82  55.566  11.404   8.581
  599   1HD   LYS  82          2HD       LYS  82  56.221  11.648  10.718
  600   2HD   LYS  82          1HD       LYS  82  57.841  11.087  10.302
  601   1HE   LYS  82          2HE       LYS  82  58.073  13.567   9.335
  602   2HE   LYS  82          1HE       LYS  82  56.819  13.889  10.549
  603   1HZ   LYS  82          1HZ       LYS  82  58.640  13.986  11.889
  604   2HZ   LYS  82          2HZ       LYS  82  59.561  12.938  10.919
  605   3HZ   LYS  82          3HZ       LYS  82  58.375  12.313  11.962
  606    HHA  HEM  83           HHA      HEM  83  63.031  -5.139  -1.047
  607    HHB  HEM  83           HHB      HEM  83  65.311   0.793  -0.178
  608    HHC  HEM  83           HHC      HEM  83  64.355   1.929  -6.274
  609    HHD  HEM  83           HHD      HEM  83  61.596  -3.716  -6.977
  610   1HMA  HEM  83          1HMA      HEM  83  65.177  -1.622   2.433
  611   2HMA  HEM  83          2HMA      HEM  83  66.127  -0.503   1.453
  612   3HMA  HEM  83          3HMA      HEM  83  66.707  -2.145   1.730
  613   1HAA  HEM  83          1HAA      HEM  83  64.285  -4.955   1.317
  614   2HAA  HEM  83          2HAA      HEM  83  65.934  -4.345   1.435
  615   1HBA  HEM  83          1HBA      HEM  83  65.983  -5.074  -1.139
  616   2HBA  HEM  83          2HBA      HEM  83  64.725  -6.184  -0.591
  617    H2A  HEM  83          3HBB      HEM  83  67.501   2.277  -4.975
  618   1HMB  HEM  83          1HMB      HEM  83  65.551   3.995  -1.520
  619   2HMB  HEM  83          2HMB      HEM  83  67.108   3.190  -1.721
  620   3HMB  HEM  83          3HMB      HEM  83  65.971   2.621  -0.497
  621    HAB  HEM  83           HAB      HEM  83  65.136   3.482  -5.601
  622   1HBB  HEM  83          1HBB      HEM  83  67.811   3.942  -4.484
  623   2HBB  HEM  83          2HBB      HEM  83  67.323   3.587  -6.141
  624   1HMC  HEM  83          1HMC      HEM  83  62.723   1.295  -9.051
  625   2HMC  HEM  83          2HMC      HEM  83  63.999   0.204  -9.589
  626   3HMC  HEM  83          3HMC      HEM  83  64.359   1.473  -8.417
  627    HAC  HEM  83           HAC      HEM  83  61.215  -2.745  -8.539
  628   1HBC  HEM  83          1HBC      HEM  83  62.785  -1.055 -10.488
  629   2HBC  HEM  83          2HBC      HEM  83  61.734  -2.415 -10.881
  630   1HMD  HEM  83          1HMD      HEM  83  61.497  -6.240  -6.520
  631   2HMD  HEM  83          2HMD      HEM  83  59.969  -5.518  -6.016
  632   3HMD  HEM  83          3HMD      HEM  83  60.585  -6.949  -5.188
  633   1HAD  HEM  83          1HAD      HEM  83  60.419  -6.845  -2.811
  634   2HAD  HEM  83          2HAD      HEM  83  61.639  -6.509  -1.590
  635   1HBD  HEM  83          1HBD      HEM  83  62.933  -8.202  -2.308
  636   2HBD  HEM  83          2HBD      HEM  83  62.841  -7.652  -3.980
  637    H2D  HEM  83          3HBC      HEM  83  63.228  -2.686  -9.985
  Start of MODEL   18
    1   1H    GLU   1          1H        GLU   1  69.989  18.599   1.861
    2   2H    GLU   1          2H        GLU   1  70.134  18.024   0.269
    3   3H    GLU   1          3H        GLU   1  70.089  16.930   1.570
    4    HA   GLU   1           HA       GLU   1  67.790  18.679   1.454
    5   1HB   GLU   1          2HB       GLU   1  66.885  17.619  -0.563
    6   2HB   GLU   1          1HB       GLU   1  68.427  18.383  -0.946
    7   1HG   GLU   1          2HG       GLU   1  69.258  15.898  -0.170
    8   2HG   GLU   1          1HG       GLU   1  67.702  15.519  -0.909
    9    H    ASP   2           H        ASP   2  65.856  16.849   1.230
   10    HA   ASP   2           HA       ASP   2  66.265  15.101   3.543
   11   1HB   ASP   2          2HB       ASP   2  63.950  15.489   1.615
   12   2HB   ASP   2          1HB       ASP   2  63.858  14.646   3.162
   13    HA   PRO   3           HA       PRO   3  67.384  11.396   1.457
   14   1HB   PRO   3          2HB       PRO   3  65.571   9.757   2.981
   15   2HB   PRO   3          1HB       PRO   3  67.307   9.972   3.226
   16   1HG   PRO   3          2HG       PRO   3  65.157  10.984   4.844
   17   2HG   PRO   3          1HG       PRO   3  66.894  11.186   5.094
   18   1HD   PRO   3          2HD       PRO   3  64.994  13.181   4.255
   19   2HD   PRO   3          1HD       PRO   3  66.752  13.372   4.467
   20    H    GLU   4           H        GLU   4  64.096  12.470   1.658
   21    HA   GLU   4           HA       GLU   4  62.884  10.452  -0.031
   22   1HB   GLU   4          2HB       GLU   4  61.617  11.906   1.486
   23   2HB   GLU   4          1HB       GLU   4  62.178  13.335   0.618
   24   1HG   GLU   4          2HG       GLU   4  61.059  12.500  -1.439
   25   2HG   GLU   4          1HG       GLU   4  60.444  11.123  -0.521
   26    H    VAL   5           H        VAL   5  64.346  13.645  -0.597
   27    HA   VAL   5           HA       VAL   5  63.776  13.889  -3.372
   28    HB   VAL   5           HB       VAL   5  66.068  14.841  -1.632
   29   1HG1  VAL   5          1HG1      VAL   5  65.437  15.255  -4.516
   30   2HG1  VAL   5          2HG1      VAL   5  67.000  15.240  -3.699
   31   3HG1  VAL   5          3HG1      VAL   5  65.966  16.666  -3.600
   32   1HG2  VAL   5          1HG2      VAL   5  63.316  15.795  -2.269
   33   2HG2  VAL   5          2HG2      VAL   5  64.577  17.021  -2.155
   34   3HG2  VAL   5          3HG2      VAL   5  64.247  15.966  -0.781
   35    H    LEU   6           H        LEU   6  66.773  12.708  -1.800
   36    HA   LEU   6           HA       LEU   6  68.018  11.827  -4.226
   37   1HB   LEU   6          2HB       LEU   6  69.643  10.943  -2.762
   38   2HB   LEU   6          1HB       LEU   6  68.921  12.236  -1.808
   39    HG   LEU   6           HG       LEU   6  67.286  10.348  -0.997
   40   1HD1  LEU   6          1HD1      LEU   6  67.750   8.379  -2.038
   41   2HD1  LEU   6          2HD1      LEU   6  69.069   8.268  -0.873
   42   3HD1  LEU   6          3HD1      LEU   6  69.373   8.896  -2.493
   43   1HD2  LEU   6          1HD2      LEU   6  70.118  10.120   0.006
   44   2HD2  LEU   6          2HD2      LEU   6  68.615  10.108   0.929
   45   3HD2  LEU   6          3HD2      LEU   6  69.210  11.614   0.230
   46    H    ALA   7           H        ALA   7  65.747  10.287  -2.013
   47    HA   ALA   7           HA       ALA   7  65.985   7.601  -3.001
   48   1HB   ALA   7          1HB       ALA   7  63.877   7.306  -1.806
   49   2HB   ALA   7          2HB       ALA   7  63.584   9.045  -1.832
   50   3HB   ALA   7          3HB       ALA   7  64.907   8.388  -0.869
   51    H    LYS   8           H        LYS   8  64.446  10.472  -4.233
   52    HA   LYS   8           HA       LYS   8  62.640   9.055  -6.060
   53   1HB   LYS   8          2HB       LYS   8  62.427  11.386  -4.923
   54   2HB   LYS   8          1HB       LYS   8  63.495  11.944  -6.211
   55   1HG   LYS   8          2HG       LYS   8  61.798  10.663  -7.769
   56   2HG   LYS   8          1HG       LYS   8  60.699  10.871  -6.405
   57   1HD   LYS   8          2HD       LYS   8  62.185  13.313  -7.043
   58   2HD   LYS   8          1HD       LYS   8  61.180  12.755  -8.380
   59   1HE   LYS   8          2HE       LYS   8  59.747  12.531  -5.857
   60   2HE   LYS   8          1HE       LYS   8  60.287  14.196  -6.147
   61   1HZ   LYS   8          1HZ       LYS   8  58.773  12.453  -8.016
   62   2HZ   LYS   8          2HZ       LYS   8  59.467  13.939  -8.462
   63   3HZ   LYS   8          3HZ       LYS   8  58.232  13.890  -7.296
   64    H    ASN   9           H        ASN   9  65.588  11.081  -6.468
   65    HA   ASN   9           HA       ASN   9  65.832  10.672  -9.291
   66   1HB   ASN   9          2HB       ASN   9  68.054  11.136  -7.284
   67   2HB   ASN   9          1HB       ASN   9  67.997  11.669  -8.965
   68   1HD2  ASN   9          1HD2      ASN   9  67.147  12.523  -5.728
   69   2HD2  ASN   9          2HD2      ASN   9  66.256  13.928  -6.102
   70    H    LYS  10           H        LYS  10  66.580   8.588  -6.602
   71    HA   LYS  10           HA       LYS  10  68.493   6.939  -8.109
   72   1HB   LYS  10          2HB       LYS  10  67.070   6.626  -5.447
   73   2HB   LYS  10          1HB       LYS  10  68.397   5.601  -6.006
   74   1HG   LYS  10          2HG       LYS  10  68.667   8.604  -5.836
   75   2HG   LYS  10          1HG       LYS  10  69.019   7.562  -4.457
   76   1HD   LYS  10          2HD       LYS  10  70.377   6.289  -6.467
   77   2HD   LYS  10          1HD       LYS  10  70.548   7.980  -6.940
   78   1HE   LYS  10          2HE       LYS  10  71.101   8.266  -4.331
   79   2HE   LYS  10          1HE       LYS  10  71.620   6.580  -4.527
   80   1HZ   LYS  10          1HZ       LYS  10  72.664   8.998  -5.784
   81   2HZ   LYS  10          2HZ       LYS  10  72.591   7.604  -6.752
   82   3HZ   LYS  10          3HZ       LYS  10  73.481   7.592  -5.305
   83    H    GLY  11           H        GLY  11  65.077   7.153  -7.709
   84   1HA   GLY  11          2HA       GLY  11  63.527   5.914  -9.072
   85   2HA   GLY  11          1HA       GLY  11  64.752   4.662  -9.283
   86    H    CYS  12           H        CYS  12  64.438   5.784  -6.056
   87    HA   CYS  12           HA       CYS  12  63.570   3.188  -5.118
   88   1HB   CYS  12          2HB       CYS  12  63.513   5.796  -3.597
   89   2HB   CYS  12          1HB       CYS  12  63.801   4.179  -2.960
   90    H    MET  13           H        MET  13  61.952   6.382  -5.194
   91    HA   MET  13           HA       MET  13  59.438   5.373  -4.175
   92   1HB   MET  13          2HB       MET  13  60.448   7.877  -5.510
   93   2HB   MET  13          1HB       MET  13  58.725   7.680  -5.172
   94   1HG   MET  13          2HG       MET  13  60.942   7.436  -3.116
   95   2HG   MET  13          1HG       MET  13  59.898   8.843  -3.319
   96   1HE   MET  13          1HE       MET  13  57.282   7.980  -4.028
   97   2HE   MET  13          2HE       MET  13  57.386   8.978  -2.580
   98   3HE   MET  13          3HE       MET  13  56.381   7.530  -2.574
   99    H    ALA  14           H        ALA  14  60.871   4.684  -7.079
  100    HA   ALA  14           HA       ALA  14  58.539   5.030  -8.825
  101   1HB   ALA  14          1HB       ALA  14  60.047   4.108 -10.495
  102   2HB   ALA  14          2HB       ALA  14  61.137   3.521  -9.238
  103   3HB   ALA  14          3HB       ALA  14  60.954   5.254  -9.506
  104    H    CYS  15           H        CYS  15  60.091   2.442  -6.992
  105    HA   CYS  15           HA       CYS  15  58.034   0.506  -7.992
  106   1HB   CYS  15          2HB       CYS  15  60.818   0.295  -6.841
  107   2HB   CYS  15          1HB       CYS  15  59.757  -1.107  -6.939
  108    H    HIS  16           H        HIS  16  59.169   2.237  -5.193
  109    HA   HIS  16           HA       HIS  16  57.788   0.377  -3.329
  110   1HB   HIS  16          2HB       HIS  16  59.833   2.546  -3.207
  111   2HB   HIS  16          1HB       HIS  16  58.877   2.240  -1.753
  112    HD1  HIS  16           HD1      HIS  16  58.643  -0.648  -1.463
  113    HD2  HIS  16           HD2      HIS  16  62.111   1.012  -3.074
  114    HE1  HIS  16           HE1      HIS  16  60.463  -2.386  -1.187
  115    H    ALA  17           H        ALA  17  56.448   1.346  -1.607
  116    HA   ALA  17           HA       ALA  17  55.037   3.871  -2.333
  117   1HB   ALA  17          1HB       ALA  17  54.002   1.619  -3.198
  118   2HB   ALA  17          2HB       ALA  17  52.945   2.781  -2.400
  119   3HB   ALA  17          3HB       ALA  17  53.545   1.381  -1.513
  120    H    ILE  18           H        ILE  18  55.216   5.085  -0.488
  121    HA   ILE  18           HA       ILE  18  56.183   4.522   1.987
  122    HB   ILE  18           HB       ILE  18  53.783   6.210   1.220
  123   1HG1  ILE  18          2HG1      ILE  18  56.047   6.685   0.197
  124   2HG1  ILE  18          1HG1      ILE  18  55.388   8.016   1.148
  125   1HG2  ILE  18          1HG2      ILE  18  53.886   5.615   3.689
  126   2HG2  ILE  18          2HG2      ILE  18  53.972   7.339   3.331
  127   3HG2  ILE  18          3HG2      ILE  18  55.438   6.451   3.744
  128   1HD1  ILE  18          1HD1      ILE  18  56.998   6.087   2.695
  129   2HD1  ILE  18          2HD1      ILE  18  57.010   7.851   2.734
  130   3HD1  ILE  18          3HD1      ILE  18  57.903   6.990   1.480
  131    H    ASP  19           H        ASP  19  53.000   3.537   0.834
  132    HA   ASP  19           HA       ASP  19  52.793   1.633   3.077
  133   1HB   ASP  19          2HB       ASP  19  52.018   3.649   4.149
  134   2HB   ASP  19          1HB       ASP  19  50.991   4.053   2.775
  135    H    THR  20           H        THR  20  52.562   1.985  -0.049
  136    HA   THR  20           HA       THR  20  49.955   0.552  -0.363
  137    HB   THR  20           HB       THR  20  51.265   1.512  -2.765
  138    HG1  THR  20           HG1      THR  20  50.516   3.758  -1.926
  139   1HG2  THR  20          1HG2      THR  20  48.948   2.826  -2.672
  140   2HG2  THR  20          2HG2      THR  20  48.606   1.616  -1.435
  141   3HG2  THR  20          3HG2      THR  20  49.024   1.110  -3.072
  142    H    LYS  21           H        LYS  21  50.194  -0.877  -2.553
  143    HA   LYS  21           HA       LYS  21  52.661  -2.527  -2.186
  144   1HB   LYS  21          2HB       LYS  21  50.223  -3.281  -1.507
  145   2HB   LYS  21          1HB       LYS  21  50.060  -3.591  -3.236
  146   1HG   LYS  21          2HG       LYS  21  51.515  -5.352  -3.194
  147   2HG   LYS  21          1HG       LYS  21  52.552  -4.596  -1.984
  148   1HD   LYS  21          2HD       LYS  21  51.076  -5.213  -0.202
  149   2HD   LYS  21          1HD       LYS  21  49.811  -5.698  -1.332
  150   1HE   LYS  21          2HE       LYS  21  50.711  -7.767  -1.579
  151   2HE   LYS  21          1HE       LYS  21  52.337  -7.099  -1.827
  152   1HZ   LYS  21          1HZ       LYS  21  50.944  -7.618   0.733
  153   2HZ   LYS  21          2HZ       LYS  21  52.268  -6.558   0.634
  154   3HZ   LYS  21          3HZ       LYS  21  52.454  -8.198   0.226
  155    H    MET  22           H        MET  22  53.720  -1.304  -3.931
  156    HA   MET  22           HA       MET  22  52.504  -1.512  -6.635
  157   1HB   MET  22          2HB       MET  22  54.881  -0.091  -5.408
  158   2HB   MET  22          1HB       MET  22  54.594  -0.101  -7.152
  159   1HG   MET  22          2HG       MET  22  52.113   0.554  -6.019
  160   2HG   MET  22          1HG       MET  22  53.291   1.478  -5.088
  161   1HE   MET  22          1HE       MET  22  54.757   4.013  -7.240
  162   2HE   MET  22          2HE       MET  22  55.583   2.514  -6.825
  163   3HE   MET  22          3HE       MET  22  54.491   3.261  -5.662
  164    H    VAL  23           H        VAL  23  55.872  -1.474  -6.834
  165    HA   VAL  23           HA       VAL  23  55.914  -4.263  -7.783
  166    HB   VAL  23           HB       VAL  23  57.871  -1.947  -7.765
  167   1HG1  VAL  23          1HG1      VAL  23  58.447  -4.721  -7.979
  168   2HG1  VAL  23          2HG1      VAL  23  59.535  -3.366  -8.287
  169   3HG1  VAL  23          3HG1      VAL  23  58.576  -4.044  -9.603
  170   1HG2  VAL  23          1HG2      VAL  23  55.936  -1.757  -9.297
  171   2HG2  VAL  23          2HG2      VAL  23  56.332  -3.330  -9.989
  172   3HG2  VAL  23          3HG2      VAL  23  57.437  -1.972 -10.197
  173    H    GLY  24           H        GLY  24  57.090  -2.314  -5.114
  174   1HA   GLY  24          2HA       GLY  24  58.290  -4.778  -3.907
  175   2HA   GLY  24          1HA       GLY  24  58.992  -3.171  -3.673
  176    HA   PRO  25           HA       PRO  25  55.693  -4.240  -0.421
  177   1HB   PRO  25          2HB       PRO  25  57.747  -4.110   1.587
  178   2HB   PRO  25          1HB       PRO  25  56.781  -5.510   1.110
  179   1HG   PRO  25          2HG       PRO  25  59.557  -5.082   0.622
  180   2HG   PRO  25          1HG       PRO  25  58.561  -6.424   0.052
  181   1HD   PRO  25          2HD       PRO  25  59.631  -4.185  -1.478
  182   2HD   PRO  25          1HD       PRO  25  58.764  -5.623  -2.076
  183    H    ALA  26           H        ALA  26  54.704  -2.429   0.476
  184    HA   ALA  26           HA       ALA  26  55.470   0.199   0.082
  185   1HB   ALA  26          1HB       ALA  26  53.415  -1.072   1.286
  186   2HB   ALA  26          2HB       ALA  26  53.693   0.658   1.490
  187   3HB   ALA  26          3HB       ALA  26  54.248  -0.476   2.722
  188    H    TYR  27           H        TYR  27  56.760   1.725   1.248
  189    HA   TYR  27           HA       TYR  27  59.114   0.797   2.506
  190   1HB   TYR  27          2HB       TYR  27  57.596   3.380   2.331
  191   2HB   TYR  27          1HB       TYR  27  59.023   3.296   3.358
  192    HD1  TYR  27           HD1      TYR  27  60.732   1.392   1.865
  193    HD2  TYR  27           HD2      TYR  27  58.281   4.625   0.447
  194    HE1  TYR  27           HE1      TYR  27  62.176   1.610  -0.137
  195    HE2  TYR  27           HE2      TYR  27  59.730   4.844  -1.553
  196    HH   TYR  27           HH       TYR  27  61.319   3.730  -2.796
  197    H    LYS  28           H        LYS  28  56.220   2.260   4.071
  198    HA   LYS  28           HA       LYS  28  57.001   1.985   6.753
  199   1HB   LYS  28          2HB       LYS  28  54.851   2.915   5.526
  200   2HB   LYS  28          1HB       LYS  28  54.213   1.305   5.863
  201   1HG   LYS  28          2HG       LYS  28  55.566   2.781   8.083
  202   2HG   LYS  28          1HG       LYS  28  53.939   3.279   7.620
  203   1HD   LYS  28          2HD       LYS  28  54.486   0.359   7.997
  204   2HD   LYS  28          1HD       LYS  28  54.298   1.374   9.428
  205   1HE   LYS  28          2HE       LYS  28  52.209   2.144   7.692
  206   2HE   LYS  28          1HE       LYS  28  52.243   0.370   7.653
  207   1HZ   LYS  28          1HZ       LYS  28  52.638   1.693  10.233
  208   2HZ   LYS  28          2HZ       LYS  28  51.890   0.208   9.880
  209   3HZ   LYS  28          3HZ       LYS  28  51.063   1.667   9.606
  210    H    ASP  29           H        ASP  29  55.242  -0.384   4.749
  211    HA   ASP  29           HA       ASP  29  55.087  -2.498   6.630
  212   1HB   ASP  29          2HB       ASP  29  55.184  -2.222   3.642
  213   2HB   ASP  29          1HB       ASP  29  55.217  -3.838   4.346
  214    H    VAL  30           H        VAL  30  57.752  -1.511   4.509
  215    HA   VAL  30           HA       VAL  30  59.418  -3.807   4.828
  216    HB   VAL  30           HB       VAL  30  60.113  -0.881   4.420
  217   1HG1  VAL  30          1HG1      VAL  30  61.633  -3.416   3.735
  218   2HG1  VAL  30          2HG1      VAL  30  62.063  -2.272   5.006
  219   3HG1  VAL  30          3HG1      VAL  30  62.134  -1.779   3.314
  220   1HG2  VAL  30          1HG2      VAL  30  60.101  -2.705   2.115
  221   2HG2  VAL  30          2HG2      VAL  30  59.415  -1.088   2.270
  222   3HG2  VAL  30          3HG2      VAL  30  58.510  -2.488   2.844
  223    H    ALA  31           H        ALA  31  59.030  -0.876   6.782
  224    HA   ALA  31           HA       ALA  31  61.215  -1.537   8.602
  225   1HB   ALA  31          1HB       ALA  31  59.679   0.680   7.926
  226   2HB   ALA  31          2HB       ALA  31  60.830   0.603   9.260
  227   3HB   ALA  31          3HB       ALA  31  59.120   0.282   9.551
  228    H    ALA  32           H        ALA  32  57.800  -2.253   8.369
  229    HA   ALA  32           HA       ALA  32  57.355  -2.927  11.146
  230   1HB   ALA  32          1HB       ALA  32  55.295  -3.946  10.199
  231   2HB   ALA  32          2HB       ALA  32  55.970  -3.768   8.579
  232   3HB   ALA  32          3HB       ALA  32  55.585  -2.337   9.536
  233    H    LYS  33           H        LYS  33  58.479  -4.735   8.324
  234    HA   LYS  33           HA       LYS  33  58.383  -7.317   9.725
  235   1HB   LYS  33          2HB       LYS  33  57.947  -7.262   7.355
  236   2HB   LYS  33          1HB       LYS  33  59.418  -6.337   7.049
  237   1HG   LYS  33          2HG       LYS  33  60.085  -8.503   6.473
  238   2HG   LYS  33          1HG       LYS  33  60.622  -8.394   8.149
  239   1HD   LYS  33          2HD       LYS  33  58.788  -9.668   8.940
  240   2HD   LYS  33          1HD       LYS  33  57.887  -9.455   7.438
  241   1HE   LYS  33          2HE       LYS  33  58.798 -11.357   6.616
  242   2HE   LYS  33          1HE       LYS  33  60.423 -10.677   6.827
  243   1HZ   LYS  33          1HZ       LYS  33  58.868 -11.702   9.122
  244   2HZ   LYS  33          2HZ       LYS  33  60.542 -11.429   9.015
  245   3HZ   LYS  33          3HZ       LYS  33  59.836 -12.736   8.191
  246    H    TYR  34           H        TYR  34  60.780  -4.874   8.825
  247    HA   TYR  34           HA       TYR  34  63.002  -6.474   9.954
  248   1HB   TYR  34          2HB       TYR  34  62.625  -3.935   8.395
  249   2HB   TYR  34          1HB       TYR  34  64.142  -4.172   9.269
  250    HD1  TYR  34           HD1      TYR  34  65.871  -5.193   8.099
  251    HD2  TYR  34           HD2      TYR  34  61.809  -6.164   7.094
  252    HE1  TYR  34           HE1      TYR  34  66.676  -6.685   6.289
  253    HE2  TYR  34           HE2      TYR  34  62.613  -7.657   5.284
  254    HH   TYR  34           HH       TYR  34  65.756  -7.596   4.117
  255    H    ALA  35           H        ALA  35  60.617  -4.430  11.146
  256    HA   ALA  35           HA       ALA  35  61.900  -2.653  12.917
  257   1HB   ALA  35          1HB       ALA  35  59.749  -3.200  14.308
  258   2HB   ALA  35          2HB       ALA  35  59.342  -4.243  12.946
  259   3HB   ALA  35          3HB       ALA  35  59.562  -2.511  12.696
  260    H    GLY  36           H        GLY  36  63.196  -2.992  14.681
  261   1HA   GLY  36          2HA       GLY  36  63.873  -4.041  16.720
  262   2HA   GLY  36          1HA       GLY  36  62.850  -5.421  16.320
  263    H    GLN  37           H        GLN  37  65.837  -3.787  15.225
  264    HA   GLN  37           HA       GLN  37  67.062  -6.476  14.849
  265   1HB   GLN  37          2HB       GLN  37  66.255  -4.521  12.792
  266   2HB   GLN  37          1HB       GLN  37  67.911  -5.105  12.620
  267   1HG   GLN  37          2HG       GLN  37  66.217  -7.325  13.275
  268   2HG   GLN  37          1HG       GLN  37  65.510  -6.455  11.914
  269   1HE2  GLN  37          1HE2      GLN  37  67.643  -8.914  12.590
  270   2HE2  GLN  37          2HE2      GLN  37  68.629  -8.819  11.201
  271    H    ALA  38           H        ALA  38  69.311  -6.444  15.213
  272    HA   ALA  38           HA       ALA  38  70.387  -4.038  16.505
  273   1HB   ALA  38          1HB       ALA  38  71.963  -6.517  15.907
  274   2HB   ALA  38          2HB       ALA  38  70.611  -6.628  17.035
  275   3HB   ALA  38          3HB       ALA  38  71.950  -5.531  17.369
  276    H    GLY  39           H        GLY  39  69.917  -3.489  13.781
  277   1HA   GLY  39          2HA       GLY  39  71.788  -2.089  12.662
  278   2HA   GLY  39          1HA       GLY  39  72.636  -3.632  12.557
  279    H    ALA  40           H        ALA  40  69.176  -2.964  12.032
  280    HA   ALA  40           HA       ALA  40  69.108  -4.576   9.630
  281   1HB   ALA  40          1HB       ALA  40  66.863  -4.312   9.943
  282   2HB   ALA  40          2HB       ALA  40  66.998  -2.557  10.042
  283   3HB   ALA  40          3HB       ALA  40  67.322  -3.547  11.465
  284    H    GLU  41           H        GLU  41  69.856  -1.241  10.274
  285    HA   GLU  41           HA       GLU  41  69.255  -0.215   7.619
  286   1HB   GLU  41          2HB       GLU  41  71.008   0.722   9.915
  287   2HB   GLU  41          1HB       GLU  41  70.662   1.697   8.485
  288   1HG   GLU  41          2HG       GLU  41  68.964   2.444   9.856
  289   2HG   GLU  41          1HG       GLU  41  68.148   1.062   9.123
  290    H    ALA  42           H        ALA  42  72.120  -1.545   9.238
  291    HA   ALA  42           HA       ALA  42  74.030  -0.939   7.191
  292   1HB   ALA  42          1HB       ALA  42  75.058  -3.115   8.349
  293   2HB   ALA  42          2HB       ALA  42  73.746  -2.834   9.494
  294   3HB   ALA  42          3HB       ALA  42  74.961  -1.584   9.221
  295    H    TYR  43           H        TYR  43  72.058  -3.873   7.801
  296    HA   TYR  43           HA       TYR  43  73.004  -5.218   5.400
  297   1HB   TYR  43          2HB       TYR  43  72.104  -6.274   7.521
  298   2HB   TYR  43          1HB       TYR  43  70.502  -5.686   7.063
  299    HD1  TYR  43           HD1      TYR  43  73.203  -8.058   6.258
  300    HD2  TYR  43           HD2      TYR  43  69.309  -6.624   5.151
  301    HE1  TYR  43           HE1      TYR  43  72.892 -10.037   4.797
  302    HE2  TYR  43           HE2      TYR  43  68.996  -8.602   3.689
  303    HH   TYR  43           HH       TYR  43  70.493 -11.289   3.889
  304    H    LEU  44           H        LEU  44  70.411  -3.003   6.187
  305    HA   LEU  44           HA       LEU  44  68.842  -3.453   3.779
  306   1HB   LEU  44          2HB       LEU  44  69.041  -1.479   6.026
  307   2HB   LEU  44          1HB       LEU  44  68.177  -0.969   4.571
  308    HG   LEU  44           HG       LEU  44  67.602  -3.577   5.996
  309   1HD1  LEU  44          1HD1      LEU  44  65.463  -1.828   6.409
  310   2HD1  LEU  44          2HD1      LEU  44  66.894  -0.846   6.723
  311   3HD1  LEU  44          3HD1      LEU  44  66.638  -2.342   7.620
  312   1HD2  LEU  44          1HD2      LEU  44  65.484  -3.403   4.707
  313   2HD2  LEU  44          2HD2      LEU  44  66.893  -3.448   3.646
  314   3HD2  LEU  44          3HD2      LEU  44  66.075  -1.918   3.963
  315    H    ALA  45           H        ALA  45  71.694  -1.656   4.649
  316    HA   ALA  45           HA       ALA  45  71.678   0.084   2.299
  317   1HB   ALA  45          1HB       ALA  45  73.744   0.863   3.232
  318   2HB   ALA  45          2HB       ALA  45  73.981  -0.639   4.126
  319   3HB   ALA  45          3HB       ALA  45  72.715   0.487   4.615
  320    H    GLN  46           H        GLN  46  73.056  -3.029   3.261
  321    HA   GLN  46           HA       GLN  46  74.761  -3.247   0.892
  322   1HB   GLN  46          2HB       GLN  46  75.584  -4.406   2.741
  323   2HB   GLN  46          1HB       GLN  46  73.974  -4.862   3.293
  324   1HG   GLN  46          2HG       GLN  46  73.806  -6.421   1.338
  325   2HG   GLN  46          1HG       GLN  46  75.484  -6.040   0.946
  326   1HE2  GLN  46          1HE2      GLN  46  76.827  -6.089   3.306
  327   2HE2  GLN  46          2HE2      GLN  46  76.637  -7.583   4.107
  328    H    ARG  47           H        ARG  47  71.489  -4.027   1.794
  329    HA   ARG  47           HA       ARG  47  71.084  -5.836  -0.514
  330   1HB   ARG  47          2HB       ARG  47  69.605  -4.927   1.924
  331   2HB   ARG  47          1HB       ARG  47  68.647  -5.505   0.562
  332   1HG   ARG  47          2HG       ARG  47  70.961  -7.052   1.756
  333   2HG   ARG  47          1HG       ARG  47  69.276  -7.304   2.217
  334   1HD   ARG  47          2HD       ARG  47  68.694  -7.911  -0.083
  335   2HD   ARG  47          1HD       ARG  47  70.351  -7.565  -0.616
  336    HE   ARG  47           HE       ARG  47  69.502  -9.928   0.879
  337   1HH1  ARG  47          1HH1      ARG  47  72.057  -7.715   0.164
  338   2HH1  ARG  47          2HH1      ARG  47  73.314  -8.844   0.544
  339   1HH2  ARG  47          1HH2      ARG  47  71.136 -11.413   1.364
  340   2HH2  ARG  47          2HH2      ARG  47  72.794 -10.933   1.222
  341    H    ILE  48           H        ILE  48  70.847  -2.503   0.300
  342    HA   ILE  48           HA       ILE  48  68.856  -1.876  -1.785
  343    HB   ILE  48           HB       ILE  48  70.420  -0.395   0.323
  344   1HG1  ILE  48          2HG1      ILE  48  67.453  -0.540  -0.290
  345   2HG1  ILE  48          1HG1      ILE  48  68.275  -1.621   0.832
  346   1HG2  ILE  48          1HG2      ILE  48  68.627   0.909  -1.745
  347   2HG2  ILE  48          2HG2      ILE  48  70.389   0.965  -1.802
  348   3HG2  ILE  48          3HG2      ILE  48  69.526   1.714  -0.459
  349   1HD1  ILE  48          1HD1      ILE  48  68.034  -0.074   2.446
  350   2HD1  ILE  48          2HD1      ILE  48  67.318   1.054   1.294
  351   3HD1  ILE  48          3HD1      ILE  48  69.067   1.014   1.518
  352    H    LYS  49           H        LYS  49  72.356  -1.787  -1.304
  353    HA   LYS  49           HA       LYS  49  72.792  -0.259  -3.792
  354   1HB   LYS  49          2HB       LYS  49  74.213   0.093  -1.826
  355   2HB   LYS  49          1HB       LYS  49  74.632  -1.620  -1.794
  356   1HG   LYS  49          2HG       LYS  49  75.417  -1.173  -4.270
  357   2HG   LYS  49          1HG       LYS  49  75.498   0.505  -3.730
  358   1HD   LYS  49          2HD       LYS  49  77.443   0.099  -2.678
  359   2HD   LYS  49          1HD       LYS  49  76.680  -1.170  -1.720
  360   1HE   LYS  49          2HE       LYS  49  78.101  -2.573  -2.835
  361   2HE   LYS  49          1HE       LYS  49  76.967  -2.392  -4.189
  362   1HZ   LYS  49          1HZ       LYS  49  78.194  -0.587  -5.047
  363   2HZ   LYS  49          2HZ       LYS  49  79.347  -1.782  -4.683
  364   3HZ   LYS  49          3HZ       LYS  49  79.142  -0.451  -3.647
  365    H    ASN  50           H        ASN  50  72.455  -3.548  -2.803
  366    HA   ASN  50           HA       ASN  50  73.601  -4.473  -5.418
  367   1HB   ASN  50          2HB       ASN  50  74.165  -5.171  -2.725
  368   2HB   ASN  50          1HB       ASN  50  73.322  -6.548  -3.437
  369   1HD2  ASN  50          1HD2      ASN  50  74.261  -7.443  -5.500
  370   2HD2  ASN  50          2HD2      ASN  50  75.930  -7.254  -5.797
  371    H    GLY  51           H        GLY  51  70.789  -4.223  -3.465
  372   1HA   GLY  51          2HA       GLY  51  68.624  -5.137  -3.647
  373   2HA   GLY  51          1HA       GLY  51  68.969  -5.183  -5.378
  374    H    SER  52           H        SER  52  67.430  -7.256  -4.560
  375    HA   SER  52           HA       SER  52  68.835  -9.604  -5.280
  376   1HB   SER  52          2HB       SER  52  69.440  -8.633  -2.620
  377   2HB   SER  52          1HB       SER  52  68.729 -10.242  -2.535
  378    HG   SER  52           HG       SER  52  71.130  -9.946  -2.928
  379    H    GLN  53           H        GLN  53  67.684 -11.679  -4.490
  380    HA   GLN  53           HA       GLN  53  64.772 -11.077  -4.169
  381   1HB   GLN  53          2HB       GLN  53  64.454 -12.650  -5.786
  382   2HB   GLN  53          1HB       GLN  53  66.179 -12.502  -6.083
  383   1HG   GLN  53          2HG       GLN  53  64.846 -14.541  -4.274
  384   2HG   GLN  53          1HG       GLN  53  65.586 -14.854  -5.838
  385   1HE2  GLN  53          1HE2      GLN  53  68.007 -14.041  -5.951
  386   2HE2  GLN  53          2HE2      GLN  53  68.958 -14.371  -4.575
  387    H    GLY  54           H        GLY  54  63.782 -13.420  -3.227
  388   1HA   GLY  54          2HA       GLY  54  63.560 -14.746  -1.297
  389   2HA   GLY  54          1HA       GLY  54  65.310 -14.621  -1.099
  390    H    VAL  55           H        VAL  55  63.809 -11.605  -1.425
  391    HA   VAL  55           HA       VAL  55  64.281 -11.010   1.441
  392    HB   VAL  55           HB       VAL  55  63.527  -9.243  -0.911
  393   1HG1  VAL  55          1HG1      VAL  55  63.396  -8.533   1.649
  394   2HG1  VAL  55          2HG1      VAL  55  64.033  -7.428   0.429
  395   3HG1  VAL  55          3HG1      VAL  55  65.139  -8.352   1.447
  396   1HG2  VAL  55          1HG2      VAL  55  65.718  -9.184  -1.565
  397   2HG2  VAL  55          2HG2      VAL  55  65.787 -10.760  -0.777
  398   3HG2  VAL  55          3HG2      VAL  55  66.316  -9.318   0.088
  399    H    TRP  56           H        TRP  56  61.752 -10.255  -0.974
  400    HA   TRP  56           HA       TRP  56  59.709 -10.453   1.205
  401   1HB   TRP  56          2HB       TRP  56  59.971  -8.693  -1.251
  402   2HB   TRP  56          1HB       TRP  56  58.534  -8.747  -0.236
  403    HD1  TRP  56           HD1      TRP  56  62.093  -7.484  -0.335
  404    HE1  TRP  56           HE1      TRP  56  62.523  -5.959   1.696
  405    HE3  TRP  56           HE3      TRP  56  57.807  -8.315   2.319
  406    HZ2  TRP  56           HZ2      TRP  56  61.225  -5.192   4.123
  407    HZ3  TRP  56           HZ3      TRP  56  57.436  -7.172   4.489
  408    HH2  TRP  56           HH2      TRP  56  59.135  -5.612   5.388
  409    H    GLY  57           H        GLY  57  60.441 -10.962  -2.232
  410   1HA   GLY  57          2HA       GLY  57  58.795 -13.357  -2.330
  411   2HA   GLY  57          1HA       GLY  57  58.076 -12.014  -3.220
  412    HA   PRO  58           HA       PRO  58  61.000 -14.243  -6.065
  413   1HB   PRO  58          2HB       PRO  58  58.977 -13.937  -8.085
  414   2HB   PRO  58          1HB       PRO  58  59.516 -15.426  -7.304
  415   1HG   PRO  58          2HG       PRO  58  57.004 -14.136  -6.981
  416   2HG   PRO  58          1HG       PRO  58  57.608 -15.534  -6.086
  417   1HD   PRO  58          2HD       PRO  58  57.305 -12.770  -5.172
  418   2HD   PRO  58          1HD       PRO  58  57.677 -14.227  -4.216
  419    H    ILE  59           H        ILE  59  59.924 -11.135  -5.654
  420    HA   ILE  59           HA       ILE  59  60.954 -10.179  -8.291
  421    HB   ILE  59           HB       ILE  59  59.392  -8.738  -6.126
  422   1HG1  ILE  59          2HG1      ILE  59  58.480 -10.214  -8.614
  423   2HG1  ILE  59          1HG1      ILE  59  58.045 -10.577  -6.943
  424   1HG2  ILE  59          1HG2      ILE  59  59.401  -7.996  -9.026
  425   2HG2  ILE  59          2HG2      ILE  59  60.803  -7.561  -8.049
  426   3HG2  ILE  59          3HG2      ILE  59  59.202  -6.967  -7.606
  427   1HD1  ILE  59          1HD1      ILE  59  57.105  -8.175  -6.862
  428   2HD1  ILE  59          2HD1      ILE  59  56.186  -9.370  -7.775
  429   3HD1  ILE  59          3HD1      ILE  59  57.210  -8.211  -8.622
  430    HA   PRO  60           HA       PRO  60  64.405  -9.465  -5.211
  431   1HB   PRO  60          2HB       PRO  60  66.108  -9.526  -7.529
  432   2HB   PRO  60          1HB       PRO  60  66.022 -10.694  -6.216
  433   1HG   PRO  60          2HG       PRO  60  65.041 -10.962  -8.919
  434   2HG   PRO  60          1HG       PRO  60  65.079 -12.179  -7.640
  435   1HD   PRO  60          2HD       PRO  60  62.768 -10.890  -8.681
  436   2HD   PRO  60          1HD       PRO  60  62.852 -11.922  -7.231
  437    H    MET  61           H        MET  61  65.246  -7.393  -4.833
  438    HA   MET  61           HA       MET  61  64.357  -5.210  -6.528
  439   1HB   MET  61          2HB       MET  61  64.567  -5.046  -4.105
  440   2HB   MET  61          1HB       MET  61  66.292  -5.410  -4.203
  441   1HG   MET  61          2HG       MET  61  65.735  -3.254  -5.997
  442   2HG   MET  61          1HG       MET  61  65.022  -2.870  -4.433
  443   1HE   MET  61          1HE       MET  61  67.429  -1.182  -2.806
  444   2HE   MET  61          2HE       MET  61  66.905  -2.645  -1.976
  445   3HE   MET  61          3HE       MET  61  65.787  -1.797  -3.042
  446    HA   PRO  62           HA       PRO  62  67.899  -5.423  -9.258
  447   1HB   PRO  62          2HB       PRO  62  67.334  -2.751 -10.156
  448   2HB   PRO  62          1HB       PRO  62  66.973  -4.271 -10.981
  449   1HG   PRO  62          2HG       PRO  62  65.114  -2.471  -9.782
  450   2HG   PRO  62          1HG       PRO  62  64.770  -4.040 -10.515
  451   1HD   PRO  62          2HD       PRO  62  64.771  -3.323  -7.692
  452   2HD   PRO  62          1HD       PRO  62  64.276  -4.859  -8.446
  453    HA   PRO  63           HA       PRO  63  70.687  -3.295  -6.456
  454   1HB   PRO  63          2HB       PRO  63  72.814  -3.601  -8.365
  455   2HB   PRO  63          1HB       PRO  63  72.525  -4.538  -6.899
  456   1HG   PRO  63          2HG       PRO  63  72.155  -5.366  -9.632
  457   2HG   PRO  63          1HG       PRO  63  71.934  -6.317  -8.161
  458   1HD   PRO  63          2HD       PRO  63  69.893  -5.328  -9.918
  459   2HD   PRO  63          1HD       PRO  63  69.668  -6.196  -8.378
  460    H    ASN  64           H        ASN  64  71.147  -1.108  -6.320
  461    HA   ASN  64           HA       ASN  64  70.896   0.503  -8.828
  462   1HB   ASN  64          2HB       ASN  64  70.675   1.301  -5.909
  463   2HB   ASN  64          1HB       ASN  64  70.199   2.272  -7.304
  464   1HD2  ASN  64          1HD2      ASN  64  69.435  -0.807  -5.618
  465   2HD2  ASN  64          2HD2      ASN  64  67.814  -0.872  -6.148
  466    H    ALA  65           H        ALA  65  72.240   2.583  -8.763
  467    HA   ALA  65           HA       ALA  65  75.045   1.900  -8.119
  468   1HB   ALA  65          1HB       ALA  65  75.515   3.441  -9.774
  469   2HB   ALA  65          2HB       ALA  65  74.227   4.530  -9.259
  470   3HB   ALA  65          3HB       ALA  65  73.842   3.102 -10.221
  471    H    VAL  66           H        VAL  66  73.191   2.405  -5.907
  472    HA   VAL  66           HA       VAL  66  73.802   5.101  -4.893
  473    HB   VAL  66           HB       VAL  66  72.420   4.280  -2.980
  474   1HG1  VAL  66          1HG1      VAL  66  70.450   4.463  -4.157
  475   2HG1  VAL  66          2HG1      VAL  66  70.953   3.304  -5.387
  476   3HG1  VAL  66          3HG1      VAL  66  71.559   4.958  -5.436
  477   1HG2  VAL  66          1HG2      VAL  66  73.159   1.723  -4.180
  478   2HG2  VAL  66          2HG2      VAL  66  71.417   1.856  -3.943
  479   3HG2  VAL  66          3HG2      VAL  66  72.510   2.059  -2.576
  480    H    SER  67           H        SER  67  75.975   5.289  -4.291
  481    HA   SER  67           HA       SER  67  77.797   3.400  -3.429
  482   1HB   SER  67          2HB       SER  67  77.706   6.098  -3.589
  483   2HB   SER  67          1HB       SER  67  77.634   5.917  -1.838
  484    HG   SER  67           HG       SER  67  79.589   4.896  -3.627
  485    H    ASP  68           H        ASP  68  78.363   2.539  -1.302
  486    HA   ASP  68           HA       ASP  68  76.353   1.442   0.251
  487   1HB   ASP  68          2HB       ASP  68  79.199   2.149   0.566
  488   2HB   ASP  68          1HB       ASP  68  78.339   1.932   2.092
  489    H    ASP  69           H        ASP  69  77.749   4.698   0.626
  490    HA   ASP  69           HA       ASP  69  76.409   5.347   3.083
  491   1HB   ASP  69          2HB       ASP  69  78.051   6.584   1.030
  492   2HB   ASP  69          1HB       ASP  69  76.793   7.692   1.583
  493    H    GLU  70           H        GLU  70  75.506   5.843  -0.338
  494    HA   GLU  70           HA       GLU  70  73.085   7.305   0.222
  495   1HB   GLU  70          2HB       GLU  70  74.030   5.656  -2.141
  496   2HB   GLU  70          1HB       GLU  70  72.629   6.728  -2.179
  497   1HG   GLU  70          2HG       GLU  70  75.006   8.037  -1.089
  498   2HG   GLU  70          1HG       GLU  70  75.249   7.467  -2.740
  499    H    ALA  71           H        ALA  71  73.783   3.849  -0.237
  500    HA   ALA  71           HA       ALA  71  70.992   3.033  -0.214
  501   1HB   ALA  71          1HB       ALA  71  71.952   1.022  -0.719
  502   2HB   ALA  71          2HB       ALA  71  73.050   1.108   0.659
  503   3HB   ALA  71          3HB       ALA  71  73.455   1.935  -0.844
  504    H    GLN  72           H        GLN  72  73.352   3.873   2.180
  505    HA   GLN  72           HA       GLN  72  72.148   2.434   4.407
  506   1HB   GLN  72          2HB       GLN  72  74.440   2.952   4.610
  507   2HB   GLN  72          1HB       GLN  72  74.217   4.583   3.977
  508   1HG   GLN  72          2HG       GLN  72  73.518   5.423   5.997
  509   2HG   GLN  72          1HG       GLN  72  72.780   3.900   6.495
  510   1HE2  GLN  72          1HE2      GLN  72  75.206   5.881   7.417
  511   2HE2  GLN  72          2HE2      GLN  72  76.340   4.740   7.987
  512    H    THR  73           H        THR  73  72.208   5.827   3.309
  513    HA   THR  73           HA       THR  73  70.343   6.802   5.282
  514    HB   THR  73           HB       THR  73  71.351   7.708   2.576
  515    HG1  THR  73           HG1      THR  73  72.665   7.815   4.490
  516   1HG2  THR  73          1HG2      THR  73  70.195   9.942   3.646
  517   2HG2  THR  73          2HG2      THR  73  69.034   8.698   4.110
  518   3HG2  THR  73          3HG2      THR  73  69.444   8.933   2.411
  519    H    LEU  74           H        LEU  74  70.062   5.145   2.230
  520    HA   LEU  74           HA       LEU  74  67.278   5.756   1.690
  521   1HB   LEU  74          2HB       LEU  74  69.357   3.762   0.802
  522   2HB   LEU  74          1HB       LEU  74  67.682   3.536   0.304
  523    HG   LEU  74           HG       LEU  74  69.273   6.081  -0.120
  524   1HD1  LEU  74          1HD1      LEU  74  69.990   5.256  -2.099
  525   2HD1  LEU  74          2HD1      LEU  74  68.399   4.598  -2.482
  526   3HD1  LEU  74          3HD1      LEU  74  69.521   3.670  -1.486
  527   1HD2  LEU  74          1HD2      LEU  74  67.106   5.983  -1.867
  528   2HD2  LEU  74          2HD2      LEU  74  67.200   6.950  -0.395
  529   3HD2  LEU  74          3HD2      LEU  74  66.450   5.355  -0.356
  530    H    ALA  75           H        ALA  75  69.024   3.198   3.423
  531    HA   ALA  75           HA       ALA  75  66.749   1.510   3.956
  532   1HB   ALA  75          1HB       ALA  75  68.322   0.619   5.721
  533   2HB   ALA  75          2HB       ALA  75  69.423   1.942   5.332
  534   3HB   ALA  75          3HB       ALA  75  69.046   0.722   4.116
  535    H    LYS  76           H        LYS  76  68.467   3.904   6.020
  536    HA   LYS  76           HA       LYS  76  66.572   3.806   8.175
  537   1HB   LYS  76          2HB       LYS  76  68.914   5.317   7.312
  538   2HB   LYS  76          1HB       LYS  76  67.730   6.364   8.096
  539   1HG   LYS  76          2HG       LYS  76  67.774   4.052   9.674
  540   2HG   LYS  76          1HG       LYS  76  69.467   4.352   9.279
  541   1HD   LYS  76          2HD       LYS  76  68.346   6.877   9.875
  542   2HD   LYS  76          1HD       LYS  76  67.763   5.774  11.123
  543   1HE   LYS  76          2HE       LYS  76  70.676   5.791  10.320
  544   2HE   LYS  76          1HE       LYS  76  70.052   6.912  11.547
  545   1HZ   LYS  76          1HZ       LYS  76  70.396   5.141  12.895
  546   2HZ   LYS  76          2HZ       LYS  76  70.284   4.007  11.635
  547   3HZ   LYS  76          3HZ       LYS  76  68.874   4.667  12.314
  548    H    TRP  77           H        TRP  77  66.629   5.445   5.090
  549    HA   TRP  77           HA       TRP  77  64.665   7.478   5.598
  550   1HB   TRP  77          2HB       TRP  77  66.068   7.597   3.662
  551   2HB   TRP  77          1HB       TRP  77  65.635   5.959   3.165
  552    HD1  TRP  77           HD1      TRP  77  63.732   9.271   3.854
  553    HE1  TRP  77           HE1      TRP  77  61.908   9.524   2.047
  554    HE3  TRP  77           HE3      TRP  77  64.483   4.958   1.234
  555    HZ2  TRP  77           HZ2      TRP  77  60.901   8.085  -0.209
  556    HZ3  TRP  77           HZ3      TRP  77  63.080   4.422  -0.742
  557    HH2  TRP  77           HH2      TRP  77  61.289   5.982  -1.466
  558    H    ILE  78           H        ILE  78  64.464   4.078   4.616
  559    HA   ILE  78           HA       ILE  78  61.607   4.074   4.108
  560    HB   ILE  78           HB       ILE  78  63.568   1.859   4.817
  561   1HG1  ILE  78          2HG1      ILE  78  62.649   2.351   2.023
  562   2HG1  ILE  78          1HG1      ILE  78  63.809   3.501   2.687
  563   1HG2  ILE  78          1HG2      ILE  78  61.828   0.581   3.331
  564   2HG2  ILE  78          2HG2      ILE  78  60.744   1.899   3.779
  565   3HG2  ILE  78          3HG2      ILE  78  61.454   0.877   5.029
  566   1HD1  ILE  78          1HD1      ILE  78  64.260   0.804   1.759
  567   2HD1  ILE  78          2HD1      ILE  78  64.727   0.944   3.453
  568   3HD1  ILE  78          3HD1      ILE  78  65.443   2.016   2.251
  569    H    LEU  79           H        LEU  79  63.636   3.037   6.866
  570    HA   LEU  79           HA       LEU  79  61.438   2.233   8.551
  571   1HB   LEU  79          2HB       LEU  79  64.328   3.021   8.980
  572   2HB   LEU  79          1HB       LEU  79  63.300   2.471  10.304
  573    HG   LEU  79           HG       LEU  79  62.847   0.588   8.312
  574   1HD1  LEU  79          1HD1      LEU  79  65.475  -0.017   8.099
  575   2HD1  LEU  79          2HD1      LEU  79  65.575   1.745   8.091
  576   3HD1  LEU  79          3HD1      LEU  79  64.602   0.912   6.878
  577   1HD2  LEU  79          1HD2      LEU  79  65.034   0.127  10.299
  578   2HD2  LEU  79          2HD2      LEU  79  63.644  -0.885   9.909
  579   3HD2  LEU  79          3HD2      LEU  79  63.437   0.547  10.917
  580    H    SER  80           H        SER  80  62.556   5.310   7.575
  581    HA   SER  80           HA       SER  80  61.613   6.679  10.037
  582   1HB   SER  80          2HB       SER  80  63.086   7.438   7.516
  583   2HB   SER  80          1HB       SER  80  62.444   8.676   8.592
  584    HG   SER  80           HG       SER  80  64.108   6.536   9.433
  585    H    GLN  81           H        GLN  81  60.392   5.711   6.979
  586    HA   GLN  81           HA       GLN  81  58.630   7.865   6.339
  587   1HB   GLN  81          2HB       GLN  81  58.490   4.864   5.915
  588   2HB   GLN  81          1HB       GLN  81  57.404   6.011   5.130
  589   1HG   GLN  81          2HG       GLN  81  60.408   5.807   4.828
  590   2HG   GLN  81          1HG       GLN  81  59.181   5.611   3.575
  591   1HE2  GLN  81          1HE2      GLN  81  61.442   7.619   3.737
  592   2HE2  GLN  81          2HE2      GLN  81  60.685   9.143   3.622
  593    H    LYS  82           H        LYS  82  58.415   5.299   8.730
  594    HA   LYS  82           HA       LYS  82  56.859   4.994  10.488
  595   1HB   LYS  82          2HB       LYS  82  57.143   7.680  10.078
  596   2HB   LYS  82          1HB       LYS  82  55.410   7.486   9.807
  597   1HG   LYS  82          2HG       LYS  82  55.963   5.924  12.072
  598   2HG   LYS  82          1HG       LYS  82  56.888   7.409  12.305
  599   1HD   LYS  82          2HD       LYS  82  54.569   8.465  11.406
  600   2HD   LYS  82          1HD       LYS  82  53.946   7.012  12.191
  601   1HE   LYS  82          2HE       LYS  82  54.349   7.855  14.264
  602   2HE   LYS  82          1HE       LYS  82  55.978   8.390  13.806
  603   1HZ   LYS  82          1HZ       LYS  82  55.061  10.273  12.678
  604   2HZ   LYS  82          2HZ       LYS  82  54.428  10.253  14.255
  605   3HZ   LYS  82          3HZ       LYS  82  53.474   9.739  12.946
  606    HHA  HEM  83           HHA      HEM  83  62.890  -4.860  -0.998
  607    HHB  HEM  83           HHB      HEM  83  65.250   0.992  -0.206
  608    HHC  HEM  83           HHC      HEM  83  64.847   1.861  -6.443
  609    HHD  HEM  83           HHD      HEM  83  61.389  -3.419  -6.913
  610   1HMA  HEM  83          1HMA      HEM  83  64.838  -1.240   2.442
  611   2HMA  HEM  83          2HMA      HEM  83  65.852  -0.165   1.479
  612   3HMA  HEM  83          3HMA      HEM  83  66.418  -1.787   1.881
  613   1HAA  HEM  83          1HAA      HEM  83  63.881  -4.649   1.325
  614   2HAA  HEM  83          2HAA      HEM  83  65.515  -4.076   1.653
  615   1HBA  HEM  83          1HBA      HEM  83  65.909  -4.844  -0.871
  616   2HBA  HEM  83          2HBA      HEM  83  64.534  -5.892  -0.522
  617    H2A  HEM  83          3HBB      HEM  83  67.780   3.395  -6.170
  618   1HMB  HEM  83          1HMB      HEM  83  66.153   2.783  -0.607
  619   2HMB  HEM  83          2HMB      HEM  83  65.897   4.128  -1.718
  620   3HMB  HEM  83          3HMB      HEM  83  67.383   3.183  -1.804
  621    HAB  HEM  83           HAB      HEM  83  65.583   3.433  -5.781
  622   1HBB  HEM  83          1HBB      HEM  83  67.972   2.432  -4.706
  623   2HBB  HEM  83          2HBB      HEM  83  68.113   4.188  -4.631
  624   1HMC  HEM  83          1HMC      HEM  83  64.912   0.444  -9.196
  625   2HMC  HEM  83          2HMC      HEM  83  63.970   1.778  -8.528
  626   3HMC  HEM  83          3HMC      HEM  83  63.226   0.656  -9.666
  627    HAC  HEM  83           HAC      HEM  83  61.247  -2.568  -8.565
  628   1HBC  HEM  83          1HBC      HEM  83  63.204  -2.654 -10.047
  629   2HBC  HEM  83          2HBC      HEM  83  62.919  -0.979 -10.518
  630   1HMD  HEM  83          1HMD      HEM  83  61.096  -6.193  -6.245
  631   2HMD  HEM  83          2HMD      HEM  83  59.868  -4.931  -6.144
  632   3HMD  HEM  83          3HMD      HEM  83  59.852  -6.272  -4.998
  633   1HAD  HEM  83          1HAD      HEM  83  60.442  -6.820  -3.044
  634   2HAD  HEM  83          2HAD      HEM  83  61.237  -6.215  -1.595
  635   1HBD  HEM  83          1HBD      HEM  83  63.078  -7.509  -1.920
  636   2HBD  HEM  83          2HBD      HEM  83  63.076  -7.245  -3.664
  637    H2D  HEM  83          3HBC      HEM  83  61.742  -2.225 -10.933
  Start of MODEL   19
    1   1H    GLU   1          1H        GLU   1  69.837  19.020  -0.901
    2   2H    GLU   1          2H        GLU   1  70.277  17.895   0.294
    3   3H    GLU   1          3H        GLU   1  68.902  18.869   0.505
    4    HA   GLU   1           HA       GLU   1  67.735  17.755  -1.247
    5   1HB   GLU   1          2HB       GLU   1  70.546  16.861  -1.732
    6   2HB   GLU   1          1HB       GLU   1  69.250  15.765  -2.211
    7   1HG   GLU   1          2HG       GLU   1  68.886  17.001  -4.053
    8   2HG   GLU   1          1HG       GLU   1  68.514  18.396  -3.039
    9    H    ASP   2           H        ASP   2  66.643  17.086   0.723
   10    HA   ASP   2           HA       ASP   2  67.496  15.261   2.664
   11   1HB   ASP   2          2HB       ASP   2  64.961  16.205   1.490
   12   2HB   ASP   2          1HB       ASP   2  64.842  14.633   2.281
   13    HA   PRO   3           HA       PRO   3  67.818  11.251   0.911
   14   1HB   PRO   3          2HB       PRO   3  65.877   9.961   2.601
   15   2HB   PRO   3          1HB       PRO   3  67.636   9.965   2.771
   16   1HG   PRO   3          2HG       PRO   3  65.720  11.323   4.407
   17   2HG   PRO   3          1HG       PRO   3  67.478  11.355   4.548
   18   1HD   PRO   3          2HD       PRO   3  65.726  13.468   3.631
   19   2HD   PRO   3          1HD       PRO   3  67.498  13.513   3.811
   20    H    GLU   4           H        GLU   4  64.628  12.648   1.239
   21    HA   GLU   4           HA       GLU   4  63.218  10.708  -0.395
   22   1HB   GLU   4          2HB       GLU   4  62.677  13.631   0.248
   23   2HB   GLU   4          1HB       GLU   4  61.494  12.494  -0.402
   24   1HG   GLU   4          2HG       GLU   4  61.064  11.676   1.650
   25   2HG   GLU   4          1HG       GLU   4  62.777  11.363   1.931
   26    H    VAL   5           H        VAL   5  64.985  13.717  -1.001
   27    HA   VAL   5           HA       VAL   5  64.260  14.046  -3.757
   28    HB   VAL   5           HB       VAL   5  66.469  14.936  -1.920
   29   1HG1  VAL   5          1HG1      VAL   5  67.852  15.032  -3.738
   30   2HG1  VAL   5          2HG1      VAL   5  66.911  16.472  -4.124
   31   3HG1  VAL   5          3HG1      VAL   5  66.517  14.929  -4.884
   32   1HG2  VAL   5          1HG2      VAL   5  65.484  17.179  -2.650
   33   2HG2  VAL   5          2HG2      VAL   5  64.412  16.142  -1.708
   34   3HG2  VAL   5          3HG2      VAL   5  64.220  16.253  -3.459
   35    H    LEU   6           H        LEU   6  67.210  12.639  -2.287
   36    HA   LEU   6           HA       LEU   6  68.238  11.636  -4.794
   37   1HB   LEU   6          2HB       LEU   6  69.782  10.399  -3.278
   38   2HB   LEU   6          1HB       LEU   6  69.632  12.093  -2.821
   39    HG   LEU   6           HG       LEU   6  67.677  11.147  -1.288
   40   1HD1  LEU   6          1HD1      LEU   6  67.716   8.846  -1.916
   41   2HD1  LEU   6          2HD1      LEU   6  68.539   8.909  -0.359
   42   3HD1  LEU   6          3HD1      LEU   6  69.476   8.781  -1.847
   43   1HD2  LEU   6          1HD2      LEU   6  70.566  11.560  -0.970
   44   2HD2  LEU   6          2HD2      LEU   6  69.885  10.487   0.253
   45   3HD2  LEU   6          3HD2      LEU   6  69.236  12.115   0.047
   46    H    ALA   7           H        ALA   7  65.928  10.455  -2.471
   47    HA   ALA   7           HA       ALA   7  66.020   7.657  -3.158
   48   1HB   ALA   7          1HB       ALA   7  64.067   9.555  -1.864
   49   2HB   ALA   7          2HB       ALA   7  64.979   8.241  -1.123
   50   3HB   ALA   7          3HB       ALA   7  63.607   7.881  -2.170
   51    H    LYS   8           H        LYS   8  64.458  10.484  -4.547
   52    HA   LYS   8           HA       LYS   8  62.730   8.905  -6.334
   53   1HB   LYS   8          2HB       LYS   8  62.665  11.417  -5.246
   54   2HB   LYS   8          1HB       LYS   8  63.268  11.770  -6.867
   55   1HG   LYS   8          2HG       LYS   8  61.354  10.310  -7.738
   56   2HG   LYS   8          1HG       LYS   8  60.691  10.384  -6.104
   57   1HD   LYS   8          2HD       LYS   8  59.927  12.481  -6.425
   58   2HD   LYS   8          1HD       LYS   8  61.488  13.020  -7.044
   59   1HE   LYS   8          2HE       LYS   8  60.812  11.750  -9.223
   60   2HE   LYS   8          1HE       LYS   8  59.165  11.844  -8.569
   61   1HZ   LYS   8          1HZ       LYS   8  59.087  14.042  -8.879
   62   2HZ   LYS   8          2HZ       LYS   8  60.430  13.845  -9.900
   63   3HZ   LYS   8          3HZ       LYS   8  60.654  14.287  -8.275
   64    H    ASN   9           H        ASN   9  65.726  10.817  -6.562
   65    HA   ASN   9           HA       ASN   9  66.075  10.691  -9.393
   66   1HB   ASN   9          2HB       ASN   9  68.255  10.678  -7.293
   67   2HB   ASN   9          1HB       ASN   9  68.286  11.450  -8.879
   68   1HD2  ASN   9          1HD2      ASN   9  65.331  12.287  -8.337
   69   2HD2  ASN   9          2HD2      ASN   9  65.491  13.653  -7.329
   70    H    LYS  10           H        LYS  10  66.732   8.321  -6.857
   71    HA   LYS  10           HA       LYS  10  68.322   6.625  -8.679
   72   1HB   LYS  10          2HB       LYS  10  67.548   6.719  -5.804
   73   2HB   LYS  10          1HB       LYS  10  67.940   5.133  -6.477
   74   1HG   LYS  10          2HG       LYS  10  70.130   5.623  -6.350
   75   2HG   LYS  10          1HG       LYS  10  69.881   6.988  -7.439
   76   1HD   LYS  10          2HD       LYS  10  69.508   8.492  -5.654
   77   2HD   LYS  10          1HD       LYS  10  69.251   7.185  -4.499
   78   1HE   LYS  10          2HE       LYS  10  71.450   7.254  -3.973
   79   2HE   LYS  10          1HE       LYS  10  71.844   6.820  -5.649
   80   1HZ   LYS  10          1HZ       LYS  10  72.742   9.013  -4.973
   81   2HZ   LYS  10          2HZ       LYS  10  71.150   9.565  -4.749
   82   3HZ   LYS  10          3HZ       LYS  10  71.682   9.104  -6.295
   83    H    GLY  11           H        GLY  11  65.011   7.017  -7.757
   84   1HA   GLY  11          2HA       GLY  11  63.231   5.935  -9.003
   85   2HA   GLY  11          1HA       GLY  11  64.327   4.595  -9.340
   86    H    CYS  12           H        CYS  12  64.498   5.667  -6.106
   87    HA   CYS  12           HA       CYS  12  63.563   3.159  -5.056
   88   1HB   CYS  12          2HB       CYS  12  63.745   5.807  -3.601
   89   2HB   CYS  12          1HB       CYS  12  63.983   4.195  -2.931
   90    H    MET  13           H        MET  13  62.034   6.366  -5.317
   91    HA   MET  13           HA       MET  13  59.569   5.485  -4.005
   92   1HB   MET  13          2HB       MET  13  60.703   7.946  -5.275
   93   2HB   MET  13          1HB       MET  13  58.949   7.853  -5.081
   94   1HG   MET  13          2HG       MET  13  60.055   6.936  -2.646
   95   2HG   MET  13          1HG       MET  13  60.961   8.386  -3.080
   96   1HE   MET  13          1HE       MET  13  57.218   8.280  -0.885
   97   2HE   MET  13          2HE       MET  13  58.865   7.702  -0.640
   98   3HE   MET  13          3HE       MET  13  57.796   6.850  -1.751
   99    H    ALA  14           H        ALA  14  60.778   4.685  -6.940
  100    HA   ALA  14           HA       ALA  14  58.305   5.107  -8.507
  101   1HB   ALA  14          1HB       ALA  14  61.126   4.774  -8.967
  102   2HB   ALA  14          2HB       ALA  14  59.882   5.268 -10.115
  103   3HB   ALA  14          3HB       ALA  14  60.242   3.557  -9.887
  104    H    CYS  15           H        CYS  15  60.030   2.566  -6.813
  105    HA   CYS  15           HA       CYS  15  58.082   0.534  -7.853
  106   1HB   CYS  15          2HB       CYS  15  60.922   0.533  -6.896
  107   2HB   CYS  15          1HB       CYS  15  59.972  -0.941  -6.714
  108    H    HIS  16           H        HIS  16  59.034   2.326  -5.057
  109    HA   HIS  16           HA       HIS  16  57.664   0.350  -3.271
  110   1HB   HIS  16          2HB       HIS  16  59.879   2.345  -3.006
  111   2HB   HIS  16          1HB       HIS  16  58.935   1.937  -1.569
  112    HD1  HIS  16           HD1      HIS  16  58.562  -0.891  -1.446
  113    HD2  HIS  16           HD2      HIS  16  62.009   0.615  -3.255
  114    HE1  HIS  16           HE1      HIS  16  60.252  -2.775  -1.441
  115    H    ALA  17           H        ALA  17  56.275   1.190  -1.610
  116    HA   ALA  17           HA       ALA  17  55.127   3.906  -2.144
  117   1HB   ALA  17          1HB       ALA  17  53.249   1.915  -1.121
  118   2HB   ALA  17          2HB       ALA  17  53.972   1.400  -2.645
  119   3HB   ALA  17          3HB       ALA  17  53.114   2.936  -2.552
  120    H    ILE  18           H        ILE  18  55.360   5.103  -0.295
  121    HA   ILE  18           HA       ILE  18  56.448   4.428   2.127
  122    HB   ILE  18           HB       ILE  18  54.076   6.255   1.606
  123   1HG1  ILE  18          2HG1      ILE  18  57.079   6.638   1.451
  124   2HG1  ILE  18          1HG1      ILE  18  55.905   6.835   0.148
  125   1HG2  ILE  18          1HG2      ILE  18  54.387   7.194   3.681
  126   2HG2  ILE  18          2HG2      ILE  18  56.113   6.827   3.703
  127   3HG2  ILE  18          3HG2      ILE  18  54.936   5.561   4.058
  128   1HD1  ILE  18          1HD1      ILE  18  54.895   8.546   2.025
  129   2HD1  ILE  18          2HD1      ILE  18  55.979   9.036   0.724
  130   3HD1  ILE  18          3HD1      ILE  18  56.626   8.693   2.329
  131    H    ASP  19           H        ASP  19  53.200   3.573   1.055
  132    HA   ASP  19           HA       ASP  19  52.930   1.854   3.465
  133   1HB   ASP  19          2HB       ASP  19  51.525   4.376   2.935
  134   2HB   ASP  19          1HB       ASP  19  50.434   3.036   3.285
  135    H    THR  20           H        THR  20  51.619   2.889   0.333
  136    HA   THR  20           HA       THR  20  49.734   0.718   0.062
  137    HB   THR  20           HB       THR  20  50.245   1.449  -2.478
  138    HG1  THR  20           HG1      THR  20  51.283   3.310  -2.608
  139   1HG2  THR  20          1HG2      THR  20  48.880   3.671  -1.577
  140   2HG2  THR  20          2HG2      THR  20  48.599   2.498  -0.290
  141   3HG2  THR  20          3HG2      THR  20  48.149   2.109  -1.950
  142    H    LYS  21           H        LYS  21  50.341  -0.461  -2.390
  143    HA   LYS  21           HA       LYS  21  52.966  -1.803  -1.941
  144   1HB   LYS  21          2HB       LYS  21  50.861  -2.971  -1.015
  145   2HB   LYS  21          1HB       LYS  21  50.424  -3.245  -2.702
  146   1HG   LYS  21          2HG       LYS  21  52.514  -4.445  -3.092
  147   2HG   LYS  21          1HG       LYS  21  53.050  -4.095  -1.448
  148   1HD   LYS  21          2HD       LYS  21  51.884  -5.835  -0.618
  149   2HD   LYS  21          1HD       LYS  21  50.413  -5.309  -1.438
  150   1HE   LYS  21          2HE       LYS  21  51.905  -6.267  -3.546
  151   2HE   LYS  21          1HE       LYS  21  52.349  -7.381  -2.238
  152   1HZ   LYS  21          1HZ       LYS  21  49.682  -6.781  -3.335
  153   2HZ   LYS  21          2HZ       LYS  21  49.829  -7.287  -1.719
  154   3HZ   LYS  21          3HZ       LYS  21  50.376  -8.287  -2.980
  155    H    MET  22           H        MET  22  53.846  -0.710  -3.790
  156    HA   MET  22           HA       MET  22  52.476  -0.923  -6.395
  157   1HB   MET  22          2HB       MET  22  54.894   0.390  -5.211
  158   2HB   MET  22          1HB       MET  22  54.871   0.136  -6.960
  159   1HG   MET  22          2HG       MET  22  52.334   1.113  -6.456
  160   2HG   MET  22          1HG       MET  22  53.333   2.030  -5.330
  161   1HE   MET  22          1HE       MET  22  54.850   4.620  -7.037
  162   2HE   MET  22          2HE       MET  22  55.953   3.310  -6.624
  163   3HE   MET  22          3HE       MET  22  54.556   3.631  -5.599
  164    H    VAL  23           H        VAL  23  55.936  -1.372  -6.138
  165    HA   VAL  23           HA       VAL  23  55.659  -4.019  -7.459
  166    HB   VAL  23           HB       VAL  23  57.937  -2.041  -7.154
  167   1HG1  VAL  23          1HG1      VAL  23  57.863  -4.858  -8.019
  168   2HG1  VAL  23          2HG1      VAL  23  59.235  -3.872  -7.519
  169   3HG1  VAL  23          3HG1      VAL  23  58.634  -3.771  -9.173
  170   1HG2  VAL  23          1HG2      VAL  23  56.255  -2.878  -9.541
  171   2HG2  VAL  23          2HG2      VAL  23  57.596  -1.733  -9.587
  172   3HG2  VAL  23          3HG2      VAL  23  56.131  -1.340  -8.687
  173    H    GLY  24           H        GLY  24  57.430  -2.411  -4.824
  174   1HA   GLY  24          2HA       GLY  24  58.013  -5.106  -3.670
  175   2HA   GLY  24          1HA       GLY  24  58.946  -3.646  -3.319
  176    HA   PRO  25           HA       PRO  25  55.603  -4.401  -0.072
  177   1HB   PRO  25          2HB       PRO  25  57.697  -4.335   1.899
  178   2HB   PRO  25          1HB       PRO  25  56.667  -5.700   1.456
  179   1HG   PRO  25          2HG       PRO  25  59.449  -5.389   0.915
  180   2HG   PRO  25          1HG       PRO  25  58.392  -6.698   0.383
  181   1HD   PRO  25          2HD       PRO  25  59.523  -4.529  -1.198
  182   2HD   PRO  25          1HD       PRO  25  58.585  -5.937  -1.757
  183    H    ALA  26           H        ALA  26  54.725  -2.569   0.909
  184    HA   ALA  26           HA       ALA  26  55.522   0.037   0.449
  185   1HB   ALA  26          1HB       ALA  26  54.482   0.024   3.061
  186   2HB   ALA  26          2HB       ALA  26  53.824  -1.427   2.305
  187   3HB   ALA  26          3HB       ALA  26  53.554   0.152   1.567
  188    H    TYR  27           H        TYR  27  56.813   1.581   1.627
  189    HA   TYR  27           HA       TYR  27  59.264   0.586   2.722
  190   1HB   TYR  27          2HB       TYR  27  57.844   3.212   2.440
  191   2HB   TYR  27          1HB       TYR  27  59.282   3.146   3.454
  192    HD1  TYR  27           HD1      TYR  27  58.583   4.374   0.520
  193    HD2  TYR  27           HD2      TYR  27  60.879   1.063   2.013
  194    HE1  TYR  27           HE1      TYR  27  60.013   4.451  -1.504
  195    HE2  TYR  27           HE2      TYR  27  62.302   1.137  -0.010
  196    HH   TYR  27           HH       TYR  27  62.957   2.702  -1.738
  197    H    LYS  28           H        LYS  28  56.665   2.427   4.405
  198    HA   LYS  28           HA       LYS  28  57.618   2.083   7.034
  199   1HB   LYS  28          2HB       LYS  28  55.303   3.010   5.682
  200   2HB   LYS  28          1HB       LYS  28  54.744   1.894   6.927
  201   1HG   LYS  28          2HG       LYS  28  56.767   3.416   8.150
  202   2HG   LYS  28          1HG       LYS  28  55.808   4.572   7.226
  203   1HD   LYS  28          2HD       LYS  28  53.986   4.313   8.558
  204   2HD   LYS  28          1HD       LYS  28  54.211   2.569   8.684
  205   1HE   LYS  28          2HE       LYS  28  56.377   3.491  10.104
  206   2HE   LYS  28          1HE       LYS  28  55.139   4.702  10.496
  207   1HZ   LYS  28          1HZ       LYS  28  54.815   2.904  11.986
  208   2HZ   LYS  28          2HZ       LYS  28  54.921   1.753  10.742
  209   3HZ   LYS  28          3HZ       LYS  28  53.580   2.791  10.830
  210    H    ASP  29           H        ASP  29  55.435  -0.019   5.162
  211    HA   ASP  29           HA       ASP  29  54.933  -1.988   7.144
  212   1HB   ASP  29          2HB       ASP  29  55.091  -1.924   4.135
  213   2HB   ASP  29          1HB       ASP  29  54.752  -3.441   4.969
  214    H    VAL  30           H        VAL  30  57.632  -1.664   4.844
  215    HA   VAL  30           HA       VAL  30  58.916  -4.145   5.303
  216    HB   VAL  30           HB       VAL  30  59.984  -1.378   4.674
  217   1HG1  VAL  30          1HG1      VAL  30  61.504  -3.713   3.739
  218   2HG1  VAL  30          2HG1      VAL  30  61.486  -3.548   5.495
  219   3HG1  VAL  30          3HG1      VAL  30  62.080  -2.225   4.493
  220   1HG2  VAL  30          1HG2      VAL  30  58.342  -3.057   3.199
  221   2HG2  VAL  30          2HG2      VAL  30  59.950  -3.446   2.591
  222   3HG2  VAL  30          3HG2      VAL  30  59.362  -1.784   2.530
  223    H    ALA  31           H        ALA  31  59.173  -1.068   7.051
  224    HA   ALA  31           HA       ALA  31  61.240  -1.961   8.874
  225   1HB   ALA  31          1HB       ALA  31  61.181   0.311   8.941
  226   2HB   ALA  31          2HB       ALA  31  59.852   0.114  10.084
  227   3HB   ALA  31          3HB       ALA  31  59.514   0.358   8.370
  228    H    ALA  32           H        ALA  32  57.712  -2.051   8.913
  229    HA   ALA  32           HA       ALA  32  57.387  -2.655  11.707
  230   1HB   ALA  32          1HB       ALA  32  55.194  -2.611  11.091
  231   2HB   ALA  32          2HB       ALA  32  55.443  -3.803   9.817
  232   3HB   ALA  32          3HB       ALA  32  55.799  -2.103   9.516
  233    H    LYS  33           H        LYS  33  58.135  -4.619   8.885
  234    HA   LYS  33           HA       LYS  33  57.684  -7.153  10.313
  235   1HB   LYS  33          2HB       LYS  33  57.455  -6.432   7.752
  236   2HB   LYS  33          1HB       LYS  33  59.152  -6.925   7.718
  237   1HG   LYS  33          2HG       LYS  33  58.136  -9.015   9.072
  238   2HG   LYS  33          1HG       LYS  33  56.710  -8.574   8.132
  239   1HD   LYS  33          2HD       LYS  33  57.600  -9.497   6.286
  240   2HD   LYS  33          1HD       LYS  33  59.025  -8.468   6.429
  241   1HE   LYS  33          2HE       LYS  33  60.104 -10.065   7.915
  242   2HE   LYS  33          1HE       LYS  33  58.636 -11.061   7.966
  243   1HZ   LYS  33          1HZ       LYS  33  60.519 -10.650   5.758
  244   2HZ   LYS  33          2HZ       LYS  33  58.881 -10.886   5.377
  245   3HZ   LYS  33          3HZ       LYS  33  59.732 -12.069   6.251
  246    H    TYR  34           H        TYR  34  60.497  -5.415   8.922
  247    HA   TYR  34           HA       TYR  34  62.436  -7.283  10.007
  248   1HB   TYR  34          2HB       TYR  34  62.403  -4.615   8.638
  249   2HB   TYR  34          1HB       TYR  34  63.901  -5.146   9.410
  250    HD1  TYR  34           HD1      TYR  34  61.177  -6.652   7.297
  251    HD2  TYR  34           HD2      TYR  34  65.392  -6.302   8.052
  252    HE1  TYR  34           HE1      TYR  34  61.646  -8.142   5.371
  253    HE2  TYR  34           HE2      TYR  34  65.859  -7.792   6.125
  254    HH   TYR  34           HH       TYR  34  63.202  -9.137   4.156
  255    H    ALA  35           H        ALA  35  60.522  -4.933  11.479
  256    HA   ALA  35           HA       ALA  35  62.254  -3.619  13.298
  257   1HB   ALA  35          1HB       ALA  35  59.474  -4.006  12.826
  258   2HB   ALA  35          2HB       ALA  35  60.231  -2.784  13.849
  259   3HB   ALA  35          3HB       ALA  35  59.757  -4.340  14.534
  260    H    GLY  36           H        GLY  36  63.753  -4.733  14.519
  261   1HA   GLY  36          2HA       GLY  36  63.502  -6.049  16.801
  262   2HA   GLY  36          1HA       GLY  36  62.980  -7.340  15.718
  263    H    GLN  37           H        GLN  37  64.877  -6.382  13.600
  264    HA   GLN  37           HA       GLN  37  67.127  -8.046  14.280
  265   1HB   GLN  37          2HB       GLN  37  66.337  -6.136  12.103
  266   2HB   GLN  37          1HB       GLN  37  67.997  -6.730  12.150
  267   1HG   GLN  37          2HG       GLN  37  66.343  -8.981  12.594
  268   2HG   GLN  37          1HG       GLN  37  65.618  -8.095  11.251
  269   1HE2  GLN  37          1HE2      GLN  37  67.593 -10.611  11.641
  270   2HE2  GLN  37          2HE2      GLN  37  68.706 -10.362  10.373
  271    H    ALA  38           H        ALA  38  69.278  -7.405  14.809
  272    HA   ALA  38           HA       ALA  38  69.486  -4.851  16.259
  273   1HB   ALA  38          1HB       ALA  38  71.857  -5.954  16.615
  274   2HB   ALA  38          2HB       ALA  38  71.074  -7.378  15.928
  275   3HB   ALA  38          3HB       ALA  38  70.442  -6.650  17.405
  276    H    GLY  39           H        GLY  39  69.174  -4.198  13.612
  277   1HA   GLY  39          2HA       GLY  39  70.761  -2.372  12.709
  278   2HA   GLY  39          1HA       GLY  39  71.945  -3.677  12.623
  279    H    ALA  40           H        ALA  40  68.481  -3.522  11.733
  280    HA   ALA  40           HA       ALA  40  68.889  -5.127   9.358
  281   1HB   ALA  40          1HB       ALA  40  66.518  -4.669   9.026
  282   2HB   ALA  40          2HB       ALA  40  66.598  -3.286  10.117
  283   3HB   ALA  40          3HB       ALA  40  66.797  -4.920  10.749
  284    H    GLU  41           H        GLU  41  68.985  -1.692  10.043
  285    HA   GLU  41           HA       GLU  41  68.597  -0.723   7.357
  286   1HB   GLU  41          2HB       GLU  41  68.380   0.757   9.232
  287   2HB   GLU  41          1HB       GLU  41  69.973   0.316   9.849
  288   1HG   GLU  41          2HG       GLU  41  70.328   1.237   7.179
  289   2HG   GLU  41          1HG       GLU  41  69.300   2.407   8.007
  290    H    ALA  42           H        ALA  42  71.465  -1.746   9.197
  291    HA   ALA  42           HA       ALA  42  73.458  -0.938   7.315
  292   1HB   ALA  42          1HB       ALA  42  73.155  -2.800   9.610
  293   2HB   ALA  42          2HB       ALA  42  74.388  -1.574   9.316
  294   3HB   ALA  42          3HB       ALA  42  74.499  -3.143   8.520
  295    H    TYR  43           H        TYR  43  71.919  -4.159   7.778
  296    HA   TYR  43           HA       TYR  43  73.109  -5.311   5.416
  297   1HB   TYR  43          2HB       TYR  43  72.195  -6.588   7.335
  298   2HB   TYR  43          1HB       TYR  43  70.576  -5.988   6.960
  299    HD1  TYR  43           HD1      TYR  43  69.604  -8.180   6.554
  300    HD2  TYR  43           HD2      TYR  43  73.040  -6.845   4.347
  301    HE1  TYR  43           HE1      TYR  43  69.282 -10.031   4.936
  302    HE2  TYR  43           HE2      TYR  43  72.718  -8.697   2.728
  303    HH   TYR  43           HH       TYR  43  71.141 -11.318   3.223
  304    H    LEU  44           H        LEU  44  70.348  -3.260   5.971
  305    HA   LEU  44           HA       LEU  44  68.959  -3.809   3.486
  306   1HB   LEU  44          2HB       LEU  44  69.001  -1.703   5.630
  307   2HB   LEU  44          1HB       LEU  44  68.166  -1.339   4.117
  308    HG   LEU  44           HG       LEU  44  67.655  -3.845   5.740
  309   1HD1  LEU  44          1HD1      LEU  44  66.522  -2.533   7.181
  310   2HD1  LEU  44          2HD1      LEU  44  65.417  -2.159   5.858
  311   3HD1  LEU  44          3HD1      LEU  44  66.794  -1.106   6.182
  312   1HD2  LEU  44          1HD2      LEU  44  67.107  -3.795   3.260
  313   2HD2  LEU  44          2HD2      LEU  44  65.971  -2.494   3.613
  314   3HD2  LEU  44          3HD2      LEU  44  65.727  -4.092   4.317
  315    H    ALA  45           H        ALA  45  71.627  -1.779   4.511
  316    HA   ALA  45           HA       ALA  45  71.777  -0.153   2.113
  317   1HB   ALA  45          1HB       ALA  45  72.968  -0.358   4.680
  318   2HB   ALA  45          2HB       ALA  45  73.219   0.918   3.490
  319   3HB   ALA  45          3HB       ALA  45  74.282  -0.490   3.510
  320    H    GLN  46           H        GLN  46  73.203  -3.218   3.206
  321    HA   GLN  46           HA       GLN  46  74.996  -3.440   0.907
  322   1HB   GLN  46          2HB       GLN  46  74.054  -5.192   3.171
  323   2HB   GLN  46          1HB       GLN  46  75.014  -5.882   1.863
  324   1HG   GLN  46          2HG       GLN  46  76.497  -3.689   2.383
  325   2HG   GLN  46          1HG       GLN  46  75.812  -3.962   3.986
  326   1HE2  GLN  46          1HE2      GLN  46  76.296  -6.032   5.056
  327   2HE2  GLN  46          2HE2      GLN  46  77.607  -6.992   4.538
  328    H    ARG  47           H        ARG  47  71.699  -4.342   1.647
  329    HA   ARG  47           HA       ARG  47  71.484  -6.100  -0.724
  330   1HB   ARG  47          2HB       ARG  47  69.688  -5.208   1.541
  331   2HB   ARG  47          1HB       ARG  47  69.048  -6.118   0.172
  332   1HG   ARG  47          2HG       ARG  47  71.516  -7.236   1.347
  333   2HG   ARG  47          1HG       ARG  47  70.109  -7.274   2.409
  334   1HD   ARG  47          2HD       ARG  47  68.973  -8.772   1.075
  335   2HD   ARG  47          1HD       ARG  47  69.680  -8.129  -0.421
  336    HE   ARG  47           HE       ARG  47  71.750  -9.284   1.197
  337   1HH1  ARG  47          1HH1      ARG  47  69.029 -10.083  -0.776
  338   2HH1  ARG  47          2HH1      ARG  47  69.660 -11.626  -1.245
  339   1HH2  ARG  47          1HH2      ARG  47  72.583 -11.293   0.587
  340   2HH2  ARG  47          2HH2      ARG  47  71.669 -12.310  -0.476
  341    H    ILE  48           H        ILE  48  71.078  -2.796   0.131
  342    HA   ILE  48           HA       ILE  48  69.143  -2.192  -2.013
  343    HB   ILE  48           HB       ILE  48  70.663  -0.677   0.110
  344   1HG1  ILE  48          2HG1      ILE  48  67.696  -0.760  -0.464
  345   2HG1  ILE  48          1HG1      ILE  48  68.490  -1.995   0.514
  346   1HG2  ILE  48          1HG2      ILE  48  68.959   0.489  -2.114
  347   2HG2  ILE  48          2HG2      ILE  48  70.681   0.774  -1.859
  348   3HG2  ILE  48          3HG2      ILE  48  69.505   1.380  -0.694
  349   1HD1  ILE  48          1HD1      ILE  48  69.498   0.161   1.732
  350   2HD1  ILE  48          2HD1      ILE  48  67.932  -0.510   2.188
  351   3HD1  ILE  48          3HD1      ILE  48  68.014   0.890   1.118
  352    H    LYS  49           H        LYS  49  72.626  -2.111  -1.449
  353    HA   LYS  49           HA       LYS  49  73.147  -0.515  -3.874
  354   1HB   LYS  49          2HB       LYS  49  74.410  -0.574  -1.601
  355   2HB   LYS  49          1HB       LYS  49  75.136  -2.062  -2.209
  356   1HG   LYS  49          2HG       LYS  49  75.987  -0.880  -4.175
  357   2HG   LYS  49          1HG       LYS  49  75.200   0.607  -3.646
  358   1HD   LYS  49          2HD       LYS  49  77.497   0.770  -2.964
  359   2HD   LYS  49          1HD       LYS  49  76.560   0.434  -1.507
  360   1HE   LYS  49          2HE       LYS  49  77.090  -2.014  -1.803
  361   2HE   LYS  49          1HE       LYS  49  78.177  -1.559  -3.130
  362   1HZ   LYS  49          1HZ       LYS  49  78.326  -0.249  -0.483
  363   2HZ   LYS  49          2HZ       LYS  49  79.495  -0.276  -1.715
  364   3HZ   LYS  49          3HZ       LYS  49  79.182  -1.677  -0.806
  365    H    ASN  50           H        ASN  50  72.555  -3.791  -3.137
  366    HA   ASN  50           HA       ASN  50  73.851  -4.647  -5.708
  367   1HB   ASN  50          2HB       ASN  50  74.294  -5.468  -3.029
  368   2HB   ASN  50          1HB       ASN  50  73.446  -6.795  -3.823
  369   1HD2  ASN  50          1HD2      ASN  50  74.520  -6.221  -6.511
  370   2HD2  ASN  50          2HD2      ASN  50  76.168  -6.660  -6.476
  371    H    GLY  51           H        GLY  51  70.969  -4.470  -3.827
  372   1HA   GLY  51          2HA       GLY  51  68.788  -5.261  -4.212
  373   2HA   GLY  51          1HA       GLY  51  69.265  -5.339  -5.908
  374    H    SER  52           H        SER  52  67.561  -7.338  -4.721
  375    HA   SER  52           HA       SER  52  68.844  -9.738  -5.581
  376   1HB   SER  52          2HB       SER  52  69.662  -8.723  -2.995
  377   2HB   SER  52          1HB       SER  52  68.951 -10.326  -2.832
  378    HG   SER  52           HG       SER  52  71.216 -10.351  -3.314
  379    H    GLN  53           H        GLN  53  67.700 -11.756  -4.802
  380    HA   GLN  53           HA       GLN  53  64.839 -11.139  -4.203
  381   1HB   GLN  53          2HB       GLN  53  64.397 -12.711  -5.789
  382   2HB   GLN  53          1HB       GLN  53  66.101 -12.604  -6.199
  383   1HG   GLN  53          2HG       GLN  53  64.847 -14.595  -4.286
  384   2HG   GLN  53          1HG       GLN  53  65.480 -14.936  -5.889
  385   1HE2  GLN  53          1HE2      GLN  53  67.909 -13.672  -5.980
  386   2HE2  GLN  53          2HE2      GLN  53  68.935 -14.224  -4.734
  387    H    GLY  54           H        GLY  54  63.908 -13.455  -3.152
  388   1HA   GLY  54          2HA       GLY  54  63.842 -14.774  -1.203
  389   2HA   GLY  54          1HA       GLY  54  65.602 -14.642  -1.137
  390    H    VAL  55           H        VAL  55  63.838 -11.716  -1.370
  391    HA   VAL  55           HA       VAL  55  64.632 -11.000   1.406
  392    HB   VAL  55           HB       VAL  55  63.490  -9.219  -0.756
  393   1HG1  VAL  55          1HG1      VAL  55  64.300  -7.497   0.500
  394   2HG1  VAL  55          2HG1      VAL  55  65.723  -8.404   1.012
  395   3HG1  VAL  55          3HG1      VAL  55  64.171  -8.675   1.806
  396   1HG2  VAL  55          1HG2      VAL  55  66.191 -10.511  -0.580
  397   2HG2  VAL  55          2HG2      VAL  55  66.084  -8.856  -1.178
  398   3HG2  VAL  55          3HG2      VAL  55  65.219 -10.151  -2.005
  399    H    TRP  56           H        TRP  56  61.861 -10.112  -0.674
  400    HA   TRP  56           HA       TRP  56  60.056 -10.522   1.682
  401   1HB   TRP  56          2HB       TRP  56  60.134  -8.577  -0.633
  402   2HB   TRP  56          1HB       TRP  56  58.682  -8.797   0.345
  403    HD1  TRP  56           HD1      TRP  56  62.222  -7.422   0.482
  404    HE1  TRP  56           HE1      TRP  56  62.501  -6.035   2.637
  405    HE3  TRP  56           HE3      TRP  56  57.820  -8.532   2.821
  406    HZ2  TRP  56           HZ2      TRP  56  61.047  -5.468   5.034
  407    HZ3  TRP  56           HZ3      TRP  56  57.294  -7.555   5.037
  408    HH2  TRP  56           HH2      TRP  56  58.897  -6.024   6.140
  409    H    GLY  57           H        GLY  57  60.471 -10.900  -1.813
  410   1HA   GLY  57          2HA       GLY  57  58.731 -13.248  -1.828
  411   2HA   GLY  57          1HA       GLY  57  58.070 -11.870  -2.711
  412    HA   PRO  58           HA       PRO  58  60.866 -14.251  -5.572
  413   1HB   PRO  58          2HB       PRO  58  58.782 -14.021  -7.535
  414   2HB   PRO  58          1HB       PRO  58  59.342 -15.478  -6.711
  415   1HG   PRO  58          2HG       PRO  58  56.841 -14.182  -6.367
  416   2HG   PRO  58          1HG       PRO  58  57.481 -15.525  -5.417
  417   1HD   PRO  58          2HD       PRO  58  57.213 -12.703  -4.658
  418   2HD   PRO  58          1HD       PRO  58  57.575 -14.111  -3.627
  419    H    ILE  59           H        ILE  59  60.067 -11.124  -5.169
  420    HA   ILE  59           HA       ILE  59  60.844 -10.284  -7.934
  421    HB   ILE  59           HB       ILE  59  59.706  -8.514  -5.772
  422   1HG1  ILE  59          2HG1      ILE  59  58.139 -10.306  -7.658
  423   2HG1  ILE  59          1HG1      ILE  59  58.222 -10.478  -5.904
  424   1HG2  ILE  59          1HG2      ILE  59  58.604  -7.663  -8.037
  425   2HG2  ILE  59          2HG2      ILE  59  59.985  -8.496  -8.752
  426   3HG2  ILE  59          3HG2      ILE  59  60.245  -7.191  -7.594
  427   1HD1  ILE  59          1HD1      ILE  59  57.523  -7.796  -6.330
  428   2HD1  ILE  59          2HD1      ILE  59  56.456  -9.083  -5.769
  429   3HD1  ILE  59          3HD1      ILE  59  56.555  -8.707  -7.489
  430    HA   PRO  60           HA       PRO  60  64.615  -9.597  -5.313
  431   1HB   PRO  60          2HB       PRO  60  66.059  -9.698  -7.801
  432   2HB   PRO  60          1HB       PRO  60  66.083 -10.864  -6.482
  433   1HG   PRO  60          2HG       PRO  60  64.872 -11.154  -9.066
  434   2HG   PRO  60          1HG       PRO  60  64.898 -12.325  -7.746
  435   1HD   PRO  60          2HD       PRO  60  62.649 -10.796  -8.694
  436   2HD   PRO  60          1HD       PRO  60  62.692 -11.945  -7.334
  437    H    MET  61           H        MET  61  65.379  -7.532  -4.955
  438    HA   MET  61           HA       MET  61  64.469  -5.328  -6.614
  439   1HB   MET  61          2HB       MET  61  64.693  -5.102  -4.228
  440   2HB   MET  61          1HB       MET  61  66.373  -5.630  -4.279
  441   1HG   MET  61          2HG       MET  61  67.022  -3.644  -5.513
  442   2HG   MET  61          1HG       MET  61  65.338  -3.133  -5.650
  443   1HE   MET  61          1HE       MET  61  67.685  -3.524  -1.716
  444   2HE   MET  61          2HE       MET  61  68.405  -3.681  -3.316
  445   3HE   MET  61          3HE       MET  61  67.210  -4.858  -2.777
  446    HA   PRO  62           HA       PRO  62  68.013  -5.447  -9.358
  447   1HB   PRO  62          2HB       PRO  62  67.412  -2.765 -10.209
  448   2HB   PRO  62          1HB       PRO  62  67.058  -4.272 -11.059
  449   1HG   PRO  62          2HG       PRO  62  65.183  -2.513  -9.847
  450   2HG   PRO  62          1HG       PRO  62  64.857  -4.098 -10.553
  451   1HD   PRO  62          2HD       PRO  62  64.931  -3.338  -7.727
  452   2HD   PRO  62          1HD       PRO  62  64.365  -4.860  -8.460
  453    HA   PRO  63           HA       PRO  63  70.838  -3.334  -6.605
  454   1HB   PRO  63          2HB       PRO  63  72.863  -3.328  -8.647
  455   2HB   PRO  63          1HB       PRO  63  72.735  -4.392  -7.242
  456   1HG   PRO  63          2HG       PRO  63  72.259  -5.041 -10.009
  457   2HG   PRO  63          1HG       PRO  63  72.179  -6.111  -8.606
  458   1HD   PRO  63          2HD       PRO  63  69.985  -5.132 -10.178
  459   2HD   PRO  63          1HD       PRO  63  69.898  -6.130  -8.705
  460    H    ASN  64           H        ASN  64  71.389  -1.147  -6.337
  461    HA   ASN  64           HA       ASN  64  70.781   0.654  -8.655
  462   1HB   ASN  64          2HB       ASN  64  70.676   1.079  -5.652
  463   2HB   ASN  64          1HB       ASN  64  70.196   2.267  -6.867
  464   1HD2  ASN  64          1HD2      ASN  64  69.432  -1.057  -5.732
  465   2HD2  ASN  64          2HD2      ASN  64  67.798  -1.014  -6.223
  466    H    ALA  65           H        ALA  65  71.913   2.954  -8.016
  467    HA   ALA  65           HA       ALA  65  74.822   2.343  -7.620
  468   1HB   ALA  65          1HB       ALA  65  74.013   3.066  -9.899
  469   2HB   ALA  65          2HB       ALA  65  75.214   4.152  -9.200
  470   3HB   ALA  65          3HB       ALA  65  73.506   4.592  -9.175
  471    H    VAL  66           H        VAL  66  72.883   2.987  -5.498
  472    HA   VAL  66           HA       VAL  66  73.178   5.780  -4.738
  473    HB   VAL  66           HB       VAL  66  72.058   5.015  -2.717
  474   1HG1  VAL  66          1HG1      VAL  66  71.153   4.423  -5.346
  475   2HG1  VAL  66          2HG1      VAL  66  70.172   4.704  -3.907
  476   3HG1  VAL  66          3HG1      VAL  66  70.679   3.066  -4.323
  477   1HG2  VAL  66          1HG2      VAL  66  71.731   2.407  -2.598
  478   2HG2  VAL  66          2HG2      VAL  66  73.220   3.125  -1.983
  479   3HG2  VAL  66          3HG2      VAL  66  73.197   2.369  -3.576
  480    H    SER  67           H        SER  67  75.126   6.615  -4.021
  481    HA   SER  67           HA       SER  67  77.506   5.303  -3.480
  482   1HB   SER  67          2HB       SER  67  76.484   7.859  -3.243
  483   2HB   SER  67          1HB       SER  67  76.879   7.463  -1.574
  484    HG   SER  67           HG       SER  67  78.971   7.158  -2.138
  485    H    ASP  68           H        ASP  68  78.513   4.654  -1.376
  486    HA   ASP  68           HA       ASP  68  76.983   2.837   0.132
  487   1HB   ASP  68          2HB       ASP  68  79.542   3.300  -0.058
  488   2HB   ASP  68          1HB       ASP  68  79.283   4.410   1.287
  489    H    ASP  69           H        ASP  69  77.854   6.198   1.037
  490    HA   ASP  69           HA       ASP  69  76.339   6.218   3.480
  491   1HB   ASP  69          2HB       ASP  69  78.097   7.859   2.051
  492   2HB   ASP  69          1HB       ASP  69  76.597   8.785   2.116
  493    H    GLU  70           H        GLU  70  75.442   6.566   0.134
  494    HA   GLU  70           HA       GLU  70  72.937   7.976   0.596
  495   1HB   GLU  70          2HB       GLU  70  74.093   6.376  -1.702
  496   2HB   GLU  70          1HB       GLU  70  72.580   7.277  -1.808
  497   1HG   GLU  70          2HG       GLU  70  75.311   8.434  -1.172
  498   2HG   GLU  70          1HG       GLU  70  74.408   8.652  -2.673
  499    H    ALA  71           H        ALA  71  73.867   4.570   0.122
  500    HA   ALA  71           HA       ALA  71  71.148   3.561   0.154
  501   1HB   ALA  71          1HB       ALA  71  72.325   1.759  -0.546
  502   2HB   ALA  71          2HB       ALA  71  73.102   1.641   1.033
  503   3HB   ALA  71          3HB       ALA  71  73.824   2.636  -0.233
  504    H    GLN  72           H        GLN  72  73.534   4.408   2.569
  505    HA   GLN  72           HA       GLN  72  72.385   2.961   4.791
  506   1HB   GLN  72          2HB       GLN  72  74.600   3.685   5.094
  507   2HB   GLN  72          1HB       GLN  72  74.290   5.250   4.342
  508   1HG   GLN  72          2HG       GLN  72  73.359   6.147   6.268
  509   2HG   GLN  72          1HG       GLN  72  72.862   4.572   6.887
  510   1HE2  GLN  72          1HE2      GLN  72  75.030   3.050   7.126
  511   2HE2  GLN  72          2HE2      GLN  72  76.284   3.805   8.001
  512    H    THR  73           H        THR  73  72.086   6.255   3.510
  513    HA   THR  73           HA       THR  73  70.105   7.128   5.443
  514    HB   THR  73           HB       THR  73  70.409   8.251   2.673
  515    HG1  THR  73           HG1      THR  73  72.310   8.602   4.742
  516   1HG2  THR  73          1HG2      THR  73  70.551   9.746   5.273
  517   2HG2  THR  73          2HG2      THR  73  68.994   9.169   4.680
  518   3HG2  THR  73          3HG2      THR  73  69.947  10.292   3.709
  519    H    LEU  74           H        LEU  74  70.077   5.352   2.435
  520    HA   LEU  74           HA       LEU  74  67.264   5.765   1.808
  521   1HB   LEU  74          2HB       LEU  74  69.447   3.842   0.979
  522   2HB   LEU  74          1HB       LEU  74  67.800   3.652   0.383
  523    HG   LEU  74           HG       LEU  74  69.306   6.266   0.172
  524   1HD1  LEU  74          1HD1      LEU  74  69.079   5.069  -2.371
  525   2HD1  LEU  74          2HD1      LEU  74  69.702   3.809  -1.306
  526   3HD1  LEU  74          3HD1      LEU  74  70.560   5.342  -1.455
  527   1HD2  LEU  74          1HD2      LEU  74  67.147   5.386  -1.690
  528   2HD2  LEU  74          2HD2      LEU  74  67.511   6.997  -1.072
  529   3HD2  LEU  74          3HD2      LEU  74  66.667   5.832  -0.053
  530    H    ALA  75           H        ALA  75  69.125   3.434   3.702
  531    HA   ALA  75           HA       ALA  75  66.926   1.581   4.133
  532   1HB   ALA  75          1HB       ALA  75  69.716   2.053   5.045
  533   2HB   ALA  75          2HB       ALA  75  68.948   0.554   4.520
  534   3HB   ALA  75          3HB       ALA  75  68.691   1.151   6.160
  535    H    LYS  76           H        LYS  76  68.513   4.076   6.162
  536    HA   LYS  76           HA       LYS  76  66.664   3.890   8.352
  537   1HB   LYS  76          2HB       LYS  76  68.893   5.535   7.417
  538   2HB   LYS  76          1HB       LYS  76  67.674   6.496   8.254
  539   1HG   LYS  76          2HG       LYS  76  67.911   4.195   9.815
  540   2HG   LYS  76          1HG       LYS  76  69.569   4.568   9.344
  541   1HD   LYS  76          2HD       LYS  76  69.619   6.494  10.561
  542   2HD   LYS  76          1HD       LYS  76  67.949   6.902  10.163
  543   1HE   LYS  76          2HE       LYS  76  68.429   4.549  11.960
  544   2HE   LYS  76          1HE       LYS  76  68.592   6.180  12.641
  545   1HZ   LYS  76          1HZ       LYS  76  66.228   4.824  11.673
  546   2HZ   LYS  76          2HZ       LYS  76  66.391   6.420  11.113
  547   3HZ   LYS  76          3HZ       LYS  76  66.365   6.100  12.780
  548    H    TRP  77           H        TRP  77  66.596   5.530   5.253
  549    HA   TRP  77           HA       TRP  77  64.486   7.414   5.839
  550   1HB   TRP  77          2HB       TRP  77  65.946   7.710   3.940
  551   2HB   TRP  77          1HB       TRP  77  65.553   6.103   3.320
  552    HD1  TRP  77           HD1      TRP  77  63.653   9.367   4.190
  553    HE1  TRP  77           HE1      TRP  77  61.783   9.690   2.444
  554    HE3  TRP  77           HE3      TRP  77  64.293   5.130   1.415
  555    HZ2  TRP  77           HZ2      TRP  77  60.703   8.331   0.172
  556    HZ3  TRP  77           HZ3      TRP  77  62.831   4.669  -0.531
  557    HH2  TRP  77           HH2      TRP  77  61.038   6.265  -1.154
  558    H    ILE  78           H        ILE  78  64.535   4.132   4.417
  559    HA   ILE  78           HA       ILE  78  61.766   3.862   3.860
  560    HB   ILE  78           HB       ILE  78  63.861   1.873   4.800
  561   1HG1  ILE  78          2HG1      ILE  78  62.877   2.065   1.982
  562   2HG1  ILE  78          1HG1      ILE  78  63.989   3.313   2.546
  563   1HG2  ILE  78          1HG2      ILE  78  61.876   0.691   5.120
  564   2HG2  ILE  78          2HG2      ILE  78  62.245   0.307   3.440
  565   3HG2  ILE  78          3HG2      ILE  78  61.043   1.540   3.819
  566   1HD1  ILE  78          1HD1      ILE  78  65.671   1.869   2.149
  567   2HD1  ILE  78          2HD1      ILE  78  64.538   0.552   1.850
  568   3HD1  ILE  78          3HD1      ILE  78  65.065   0.903   3.494
  569    H    LEU  79           H        LEU  79  63.576   2.907   6.802
  570    HA   LEU  79           HA       LEU  79  61.240   2.174   8.322
  571   1HB   LEU  79          2HB       LEU  79  64.080   2.984   9.011
  572   2HB   LEU  79          1HB       LEU  79  62.931   2.407  10.218
  573    HG   LEU  79           HG       LEU  79  62.801   0.577   8.063
  574   1HD1  LEU  79          1HD1      LEU  79  65.450   1.772   8.374
  575   2HD1  LEU  79          2HD1      LEU  79  64.848   0.694   7.115
  576   3HD1  LEU  79          3HD1      LEU  79  65.467   0.026   8.627
  577   1HD2  LEU  79          1HD2      LEU  79  63.351   0.660  10.911
  578   2HD2  LEU  79          2HD2      LEU  79  64.372  -0.537  10.115
  579   3HD2  LEU  79          3HD2      LEU  79  62.619  -0.633   9.961
  580    H    SER  80           H        SER  80  62.757   5.210   7.564
  581    HA   SER  80           HA       SER  80  61.638   6.724   9.793
  582   1HB   SER  80          2HB       SER  80  63.466   7.824   8.957
  583   2HB   SER  80          1HB       SER  80  63.263   7.129   7.352
  584    HG   SER  80           HG       SER  80  61.893   9.316   8.522
  585    H    GLN  81           H        GLN  81  60.555   5.740   6.609
  586    HA   GLN  81           HA       GLN  81  58.660   7.678   5.919
  587   1HB   GLN  81          2HB       GLN  81  58.473   4.651   5.799
  588   2HB   GLN  81          1HB       GLN  81  57.494   5.761   4.838
  589   1HG   GLN  81          2HG       GLN  81  60.504   5.440   4.747
  590   2HG   GLN  81          1HG       GLN  81  59.356   5.047   3.468
  591   1HE2  GLN  81          1HE2      GLN  81  61.098   7.671   5.026
  592   2HE2  GLN  81          2HE2      GLN  81  60.584   8.898   3.960
  593    H    LYS  82           H        LYS  82  56.122   7.014   6.076
  594    HA   LYS  82           HA       LYS  82  55.223   5.867   8.579
  595   1HB   LYS  82          2HB       LYS  82  56.432   8.248   8.913
  596   2HB   LYS  82          1HB       LYS  82  54.809   8.819   8.527
  597   1HG   LYS  82          2HG       LYS  82  55.147   6.615  10.536
  598   2HG   LYS  82          1HG       LYS  82  55.445   8.283  11.027
  599   1HD   LYS  82          2HD       LYS  82  53.050   8.338   9.533
  600   2HD   LYS  82          1HD       LYS  82  52.919   6.944  10.606
  601   1HE   LYS  82          2HE       LYS  82  53.602   8.433  12.523
  602   2HE   LYS  82          1HE       LYS  82  53.498   9.814  11.412
  603   1HZ   LYS  82          1HZ       LYS  82  51.233   9.257  10.915
  604   2HZ   LYS  82          2HZ       LYS  82  51.390   9.381  12.602
  605   3HZ   LYS  82          3HZ       LYS  82  51.312   7.853  11.863
  606    HHA  HEM  83           HHA      HEM  83  63.167  -5.026  -1.003
  607    HHB  HEM  83           HHB      HEM  83  65.550   0.840  -0.278
  608    HHC  HEM  83           HHC      HEM  83  64.669   1.769  -6.483
  609    HHD  HEM  83           HHD      HEM  83  61.342  -3.527  -6.844
  610   1HMA  HEM  83          1HMA      HEM  83  66.703  -1.975   1.749
  611   2HMA  HEM  83          2HMA      HEM  83  65.163  -1.372   2.363
  612   3HMA  HEM  83          3HMA      HEM  83  66.177  -0.338   1.357
  613   1HAA  HEM  83          1HAA      HEM  83  64.295  -4.815   1.309
  614   2HAA  HEM  83          2HAA      HEM  83  65.949  -4.218   1.448
  615   1HBA  HEM  83          1HBA      HEM  83  66.017  -4.953  -1.129
  616   2HBA  HEM  83          2HBA      HEM  83  64.752  -6.054  -0.585
  617    H2A  HEM  83          3HBB      HEM  83  67.610   3.242  -6.468
  618   1HMB  HEM  83          1HMB      HEM  83  67.460   3.245  -2.076
  619   2HMB  HEM  83          2HMB      HEM  83  66.463   2.648  -0.747
  620   3HMB  HEM  83          3HMB      HEM  83  65.897   3.991  -1.740
  621    HAB  HEM  83           HAB      HEM  83  65.457   3.292  -5.851
  622   1HBB  HEM  83          1HBB      HEM  83  67.848   2.117  -5.130
  623   2HBB  HEM  83          2HBB      HEM  83  68.153   3.838  -4.899
  624   1HMC  HEM  83          1HMC      HEM  83  64.878   0.806  -8.837
  625   2HMC  HEM  83          2HMC      HEM  83  63.272   1.536  -8.851
  626   3HMC  HEM  83          3HMC      HEM  83  63.591   0.084  -9.802
  627    HAC  HEM  83           HAC      HEM  83  61.098  -2.640  -8.487
  628   1HBC  HEM  83          1HBC      HEM  83  63.249  -2.449  -9.959
  629   2HBC  HEM  83          2HBC      HEM  83  62.405  -1.073 -10.672
  630   1HMD  HEM  83          1HMD      HEM  83  59.712  -6.227  -4.794
  631   2HMD  HEM  83          2HMD      HEM  83  60.945  -6.378  -6.047
  632   3HMD  HEM  83          3HMD      HEM  83  59.860  -4.989  -6.043
  633   1HAD  HEM  83          1HAD      HEM  83  60.849  -7.152  -3.185
  634   2HAD  HEM  83          2HAD      HEM  83  61.041  -6.321  -1.647
  635   1HBD  HEM  83          1HBD      HEM  83  62.962  -7.418  -1.250
  636   2HBD  HEM  83          2HBD      HEM  83  63.640  -6.865  -2.782
  637    H2D  HEM  83          3HBC      HEM  83  61.676  -2.678 -10.723
  Start of MODEL   20
    1   1H    GLU   1          1H        GLU   1  68.316  19.011   2.428
    2   2H    GLU   1          2H        GLU   1  69.748  19.338   1.575
    3   3H    GLU   1          3H        GLU   1  69.757  18.229   2.862
    4    HA   GLU   1           HA       GLU   1  68.205  17.839   0.354
    5   1HB   GLU   1          2HB       GLU   1  70.492  17.860  -0.261
    6   2HB   GLU   1          1HB       GLU   1  70.994  17.102   1.249
    7   1HG   GLU   1          2HG       GLU   1  70.440  14.988   0.534
    8   2HG   GLU   1          1HG       GLU   1  69.108  15.564  -0.470
    9    H    ASP   2           H        ASP   2  66.435  16.898   1.500
   10    HA   ASP   2           HA       ASP   2  66.824  14.925   3.606
   11   1HB   ASP   2          2HB       ASP   2  64.554  16.040   1.977
   12   2HB   ASP   2          1HB       ASP   2  64.280  14.633   3.005
   13    HA   PRO   3           HA       PRO   3  67.301  11.220   1.295
   14   1HB   PRO   3          2HB       PRO   3  65.230   9.779   2.678
   15   2HB   PRO   3          1HB       PRO   3  66.974   9.708   2.954
   16   1HG   PRO   3          2HG       PRO   3  64.974  10.916   4.624
   17   2HG   PRO   3          1HG       PRO   3  66.717  10.841   4.897
   18   1HD   PRO   3          2HD       PRO   3  65.140  13.146   4.181
   19   2HD   PRO   3          1HD       PRO   3  66.901  13.066   4.435
   20    H    GLU   4           H        GLU   4  64.107  12.626   1.632
   21    HA   GLU   4           HA       GLU   4  62.744  10.965  -0.301
   22   1HB   GLU   4          2HB       GLU   4  61.060  12.705  -0.157
   23   2HB   GLU   4          1HB       GLU   4  61.757  12.513   1.453
   24   1HG   GLU   4          2HG       GLU   4  63.328  14.403   0.923
   25   2HG   GLU   4          1HG       GLU   4  62.438  14.654  -0.579
   26    H    VAL   5           H        VAL   5  64.638  13.960  -0.492
   27    HA   VAL   5           HA       VAL   5  64.118  14.576  -3.242
   28    HB   VAL   5           HB       VAL   5  66.520  15.127  -1.469
   29   1HG1  VAL   5          1HG1      VAL   5  66.408  15.544  -4.141
   30   2HG1  VAL   5          2HG1      VAL   5  67.268  16.621  -3.041
   31   3HG1  VAL   5          3HG1      VAL   5  65.639  17.028  -3.578
   32   1HG2  VAL   5          1HG2      VAL   5  64.321  17.091  -2.003
   33   2HG2  VAL   5          2HG2      VAL   5  65.365  16.938  -0.589
   34   3HG2  VAL   5          3HG2      VAL   5  64.031  15.810  -0.826
   35    H    LEU   6           H        LEU   6  66.972  13.011  -1.747
   36    HA   LEU   6           HA       LEU   6  68.140  12.226  -4.263
   37   1HB   LEU   6          2HB       LEU   6  69.542  10.790  -2.773
   38   2HB   LEU   6          1HB       LEU   6  69.414  12.444  -2.184
   39    HG   LEU   6           HG       LEU   6  67.327  11.425  -0.872
   40   1HD1  LEU   6          1HD1      LEU   6  68.003   9.160  -2.079
   41   2HD1  LEU   6          2HD1      LEU   6  67.441   9.152  -0.410
   42   3HD1  LEU   6          3HD1      LEU   6  69.167   9.062  -0.761
   43   1HD2  LEU   6          1HD2      LEU   6  69.231  10.688   0.876
   44   2HD2  LEU   6          2HD2      LEU   6  68.916  12.383   0.502
   45   3HD2  LEU   6          3HD2      LEU   6  70.251  11.540  -0.283
   46    H    ALA   7           H        ALA   7  65.621  10.898  -2.286
   47    HA   ALA   7           HA       ALA   7  65.706   8.155  -3.092
   48   1HB   ALA   7          1HB       ALA   7  63.159   8.445  -2.559
   49   2HB   ALA   7          2HB       ALA   7  63.607  10.093  -2.122
   50   3HB   ALA   7          3HB       ALA   7  64.323   8.728  -1.265
   51    H    LYS   8           H        LYS   8  63.907  10.945  -4.427
   52    HA   LYS   8           HA       LYS   8  62.747   9.494  -6.636
   53   1HB   LYS   8          2HB       LYS   8  62.821  12.141  -5.499
   54   2HB   LYS   8          1HB       LYS   8  63.066  12.257  -7.242
   55   1HG   LYS   8          2HG       LYS   8  61.013  11.187  -7.719
   56   2HG   LYS   8          1HG       LYS   8  60.869  10.545  -6.082
   57   1HD   LYS   8          2HD       LYS   8  60.053  12.511  -5.235
   58   2HD   LYS   8          1HD       LYS   8  61.028  13.502  -6.320
   59   1HE   LYS   8          2HE       LYS   8  58.648  11.875  -7.271
   60   2HE   LYS   8          1HE       LYS   8  58.543  13.587  -6.813
   61   1HZ   LYS   8          1HZ       LYS   8  59.741  14.236  -8.592
   62   2HZ   LYS   8          2HZ       LYS   8  59.219  12.765  -9.262
   63   3HZ   LYS   8          3HZ       LYS   8  60.757  12.878  -8.551
   64    H    ASN   9           H        ASN   9  65.673  11.500  -6.282
   65    HA   ASN   9           HA       ASN   9  66.470  11.455  -9.037
   66   1HB   ASN   9          2HB       ASN   9  68.279  11.585  -6.615
   67   2HB   ASN   9          1HB       ASN   9  68.499  12.381  -8.173
   68   1HD2  ASN   9          1HD2      ASN   9  65.415  12.966  -8.065
   69   2HD2  ASN   9          2HD2      ASN   9  65.321  14.328  -7.046
   70    H    LYS  10           H        LYS  10  66.647   9.032  -6.539
   71    HA   LYS  10           HA       LYS  10  68.717   7.495  -8.024
   72   1HB   LYS  10          2HB       LYS  10  67.351   7.284  -5.331
   73   2HB   LYS  10          1HB       LYS  10  68.382   5.990  -5.951
   74   1HG   LYS  10          2HG       LYS  10  69.170   8.858  -5.373
   75   2HG   LYS  10          1HG       LYS  10  69.783   7.397  -4.596
   76   1HD   LYS  10          2HD       LYS  10  70.538   6.703  -6.982
   77   2HD   LYS  10          1HD       LYS  10  70.316   8.406  -7.386
   78   1HE   LYS  10          2HE       LYS  10  71.874   9.045  -5.569
   79   2HE   LYS  10          1HE       LYS  10  72.112   7.330  -5.181
   80   1HZ   LYS  10          1HZ       LYS  10  73.646   8.570  -6.919
   81   2HZ   LYS  10          2HZ       LYS  10  72.386   8.142  -7.975
   82   3HZ   LYS  10          3HZ       LYS  10  73.219   6.940  -7.112
   83    H    GLY  11           H        GLY  11  65.287   7.656  -7.554
   84   1HA   GLY  11          2HA       GLY  11  63.734   6.499  -8.989
   85   2HA   GLY  11          1HA       GLY  11  64.973   5.286  -9.308
   86    H    CYS  12           H        CYS  12  64.782   6.081  -6.001
   87    HA   CYS  12           HA       CYS  12  63.929   3.432  -5.266
   88   1HB   CYS  12          2HB       CYS  12  63.925   5.982  -3.626
   89   2HB   CYS  12          1HB       CYS  12  64.051   4.335  -3.011
   90    H    MET  13           H        MET  13  62.216   6.473  -5.739
   91    HA   MET  13           HA       MET  13  59.735   5.495  -4.505
   92   1HB   MET  13          2HB       MET  13  60.558   7.960  -6.070
   93   2HB   MET  13          1HB       MET  13  58.938   7.732  -5.407
   94   1HG   MET  13          2HG       MET  13  60.651   7.128  -3.280
   95   2HG   MET  13          1HG       MET  13  61.382   8.538  -4.047
   96   1HE   MET  13          1HE       MET  13  57.116   8.151  -2.404
   97   2HE   MET  13          2HE       MET  13  58.474   7.171  -1.863
   98   3HE   MET  13          3HE       MET  13  57.915   7.044  -3.529
   99    H    ALA  14           H        ALA  14  61.200   4.609  -7.269
  100    HA   ALA  14           HA       ALA  14  58.996   4.919  -9.169
  101   1HB   ALA  14          1HB       ALA  14  60.673   4.458 -10.615
  102   2HB   ALA  14          2HB       ALA  14  61.026   2.932  -9.804
  103   3HB   ALA  14          3HB       ALA  14  61.752   4.430  -9.219
  104    H    CYS  15           H        CYS  15  60.511   2.166  -7.470
  105    HA   CYS  15           HA       CYS  15  58.158   0.478  -8.170
  106   1HB   CYS  15          2HB       CYS  15  60.873  -0.144  -6.975
  107   2HB   CYS  15          1HB       CYS  15  59.683  -1.338  -7.489
  108    H    HIS  16           H        HIS  16  59.661   2.118  -5.467
  109    HA   HIS  16           HA       HIS  16  58.148   0.429  -3.532
  110   1HB   HIS  16          2HB       HIS  16  60.506   2.252  -3.507
  111   2HB   HIS  16          1HB       HIS  16  59.583   2.098  -2.010
  112    HD1  HIS  16           HD1      HIS  16  58.870  -0.762  -1.813
  113    HD2  HIS  16           HD2      HIS  16  62.560   0.435  -3.354
  114    HE1  HIS  16           HE1      HIS  16  60.432  -2.737  -1.549
  115    H    ALA  17           H        ALA  17  57.285   1.706  -1.618
  116    HA   ALA  17           HA       ALA  17  56.204   4.391  -2.203
  117   1HB   ALA  17          1HB       ALA  17  54.751   2.463  -3.202
  118   2HB   ALA  17          2HB       ALA  17  53.937   3.690  -2.232
  119   3HB   ALA  17          3HB       ALA  17  54.326   2.122  -1.525
  120    H    ILE  18           H        ILE  18  54.409   4.564  -0.086
  121    HA   ILE  18           HA       ILE  18  56.235   4.230   2.226
  122    HB   ILE  18           HB       ILE  18  53.465   5.456   2.140
  123   1HG1  ILE  18          2HG1      ILE  18  54.852   6.384   0.301
  124   2HG1  ILE  18          1HG1      ILE  18  54.563   7.583   1.562
  125   1HG2  ILE  18          1HG2      ILE  18  54.050   6.473   4.129
  126   2HG2  ILE  18          2HG2      ILE  18  55.768   6.500   3.730
  127   3HG2  ILE  18          3HG2      ILE  18  55.012   5.001   4.273
  128   1HD1  ILE  18          1HD1      ILE  18  57.006   7.198   0.614
  129   2HD1  ILE  18          2HD1      ILE  18  57.005   5.855   1.758
  130   3HD1  ILE  18          3HD1      ILE  18  56.751   7.504   2.332
  131    H    ASP  19           H        ASP  19  52.676   3.783   2.063
  132    HA   ASP  19           HA       ASP  19  53.071   1.239   3.608
  133   1HB   ASP  19          2HB       ASP  19  50.745   1.820   4.453
  134   2HB   ASP  19          1HB       ASP  19  52.007   2.963   4.917
  135    H    THR  20           H        THR  20  52.236   2.374   0.581
  136    HA   THR  20           HA       THR  20  50.008   0.515   0.063
  137    HB   THR  20           HB       THR  20  50.092   1.571  -2.140
  138    HG1  THR  20           HG1      THR  20  51.904   3.305  -2.124
  139   1HG2  THR  20          1HG2      THR  20  49.434   2.836   0.126
  140   2HG2  THR  20          2HG2      THR  20  49.378   3.643  -1.441
  141   3HG2  THR  20          3HG2      THR  20  50.765   3.876  -0.378
  142    H    LYS  21           H        LYS  21  50.221  -1.138  -1.684
  143    HA   LYS  21           HA       LYS  21  52.928  -2.385  -1.661
  144   1HB   LYS  21          2HB       LYS  21  51.104  -3.701  -0.723
  145   2HB   LYS  21          1HB       LYS  21  50.140  -3.455  -2.179
  146   1HG   LYS  21          2HG       LYS  21  52.113  -4.552  -3.439
  147   2HG   LYS  21          1HG       LYS  21  52.647  -5.101  -1.850
  148   1HD   LYS  21          2HD       LYS  21  51.247  -6.852  -2.131
  149   2HD   LYS  21          1HD       LYS  21  49.931  -5.705  -1.872
  150   1HE   LYS  21          2HE       LYS  21  49.568  -6.928  -3.982
  151   2HE   LYS  21          1HE       LYS  21  49.925  -5.227  -4.338
  152   1HZ   LYS  21          1HZ       LYS  21  51.553  -6.079  -5.610
  153   2HZ   LYS  21          2HZ       LYS  21  51.532  -7.585  -4.825
  154   3HZ   LYS  21          3HZ       LYS  21  52.386  -6.283  -4.146
  155    H    MET  22           H        MET  22  53.721  -1.025  -3.450
  156    HA   MET  22           HA       MET  22  52.353  -1.233  -6.062
  157   1HB   MET  22          2HB       MET  22  54.892   0.104  -5.068
  158   2HB   MET  22          1HB       MET  22  54.266   0.273  -6.712
  159   1HG   MET  22          2HG       MET  22  52.053   0.804  -5.112
  160   2HG   MET  22          1HG       MET  22  53.384   1.579  -4.254
  161   1HE   MET  22          1HE       MET  22  53.711   4.168  -4.780
  162   2HE   MET  22          2HE       MET  22  54.656   4.319  -6.260
  163   3HE   MET  22          3HE       MET  22  55.010   3.017  -5.127
  164    H    VAL  23           H        VAL  23  55.501  -1.125  -6.908
  165    HA   VAL  23           HA       VAL  23  55.567  -3.840  -7.898
  166    HB   VAL  23           HB       VAL  23  57.795  -1.801  -7.589
  167   1HG1  VAL  23          1HG1      VAL  23  58.300  -3.074  -9.901
  168   2HG1  VAL  23          2HG1      VAL  23  57.447  -4.370  -9.062
  169   3HG1  VAL  23          3HG1      VAL  23  58.902  -3.670  -8.354
  170   1HG2  VAL  23          1HG2      VAL  23  56.195  -2.156 -10.099
  171   2HG2  VAL  23          2HG2      VAL  23  57.050  -0.730  -9.511
  172   3HG2  VAL  23          3HG2      VAL  23  55.507  -1.193  -8.792
  173    H    GLY  24           H        GLY  24  57.122  -2.155  -5.198
  174   1HA   GLY  24          2HA       GLY  24  58.113  -4.796  -4.204
  175   2HA   GLY  24          1HA       GLY  24  58.906  -3.256  -3.845
  176    HA   PRO  25           HA       PRO  25  55.727  -4.482  -0.548
  177   1HB   PRO  25          2HB       PRO  25  57.875  -4.473   1.363
  178   2HB   PRO  25          1HB       PRO  25  56.889  -5.844   0.845
  179   1HG   PRO  25          2HG       PRO  25  59.638  -5.360   0.246
  180   2HG   PRO  25          1HG       PRO  25  58.625  -6.683  -0.341
  181   1HD   PRO  25          2HD       PRO  25  59.603  -4.374  -1.812
  182   2HD   PRO  25          1HD       PRO  25  58.685  -5.768  -2.428
  183    H    ALA  26           H        ALA  26  54.794  -2.774   0.573
  184    HA   ALA  26           HA       ALA  26  55.466  -0.109   0.304
  185   1HB   ALA  26          1HB       ALA  26  53.702  -1.690   1.812
  186   2HB   ALA  26          2HB       ALA  26  53.663   0.067   1.663
  187   3HB   ALA  26          3HB       ALA  26  54.531  -0.686   3.001
  188    H    TYR  27           H        TYR  27  56.653   1.407   1.665
  189    HA   TYR  27           HA       TYR  27  59.177   0.397   2.633
  190   1HB   TYR  27          2HB       TYR  27  57.723   2.991   2.414
  191   2HB   TYR  27          1HB       TYR  27  59.074   2.934   3.540
  192    HD1  TYR  27           HD1      TYR  27  60.823   0.922   2.108
  193    HD2  TYR  27           HD2      TYR  27  58.614   4.304   0.643
  194    HE1  TYR  27           HE1      TYR  27  62.398   1.131   0.209
  195    HE2  TYR  27           HE2      TYR  27  60.194   4.512  -1.255
  196    HH   TYR  27           HH       TYR  27  62.741   2.112  -1.791
  197    H    LYS  28           H        LYS  28  56.619   2.168   4.437
  198    HA   LYS  28           HA       LYS  28  57.508   1.691   7.037
  199   1HB   LYS  28          2HB       LYS  28  55.113   1.920   7.638
  200   2HB   LYS  28          1HB       LYS  28  55.556   3.070   6.376
  201   1HG   LYS  28          2HG       LYS  28  53.652   2.203   5.410
  202   2HG   LYS  28          1HG       LYS  28  54.820   1.028   4.807
  203   1HD   LYS  28          2HD       LYS  28  53.291  -0.435   5.715
  204   2HD   LYS  28          1HD       LYS  28  54.274  -0.144   7.151
  205   1HE   LYS  28          2HE       LYS  28  52.682   1.289   8.112
  206   2HE   LYS  28          1HE       LYS  28  51.928   1.654   6.547
  207   1HZ   LYS  28          1HZ       LYS  28  52.012  -1.139   7.422
  208   2HZ   LYS  28          2HZ       LYS  28  50.845  -0.334   6.485
  209   3HZ   LYS  28          3HZ       LYS  28  50.884  -0.118   8.170
  210    H    ASP  29           H        ASP  29  55.857  -0.523   4.835
  211    HA   ASP  29           HA       ASP  29  55.231  -2.603   6.699
  212   1HB   ASP  29          2HB       ASP  29  55.643  -2.295   3.751
  213   2HB   ASP  29          1HB       ASP  29  55.598  -3.934   4.401
  214    H    VAL  30           H        VAL  30  58.097  -2.089   4.616
  215    HA   VAL  30           HA       VAL  30  59.562  -4.399   5.354
  216    HB   VAL  30           HB       VAL  30  60.343  -1.588   4.542
  217   1HG1  VAL  30          1HG1      VAL  30  62.422  -2.140   5.268
  218   2HG1  VAL  30          2HG1      VAL  30  62.466  -3.206   3.863
  219   3HG1  VAL  30          3HG1      VAL  30  62.005  -3.845   5.442
  220   1HG2  VAL  30          1HG2      VAL  30  61.008  -3.547   2.611
  221   2HG2  VAL  30          2HG2      VAL  30  59.714  -2.352   2.515
  222   3HG2  VAL  30          3HG2      VAL  30  59.389  -3.953   3.182
  223    H    ALA  31           H        ALA  31  59.142  -1.303   6.982
  224    HA   ALA  31           HA       ALA  31  61.186  -1.831   9.012
  225   1HB   ALA  31          1HB       ALA  31  60.616   0.332   9.744
  226   2HB   ALA  31          2HB       ALA  31  58.944   0.170   9.206
  227   3HB   ALA  31          3HB       ALA  31  60.232   0.401   8.023
  228    H    ALA  32           H        ALA  32  57.764  -2.431   8.603
  229    HA   ALA  32           HA       ALA  32  57.123  -2.790  11.408
  230   1HB   ALA  32          1HB       ALA  32  55.774  -3.928   8.943
  231   2HB   ALA  32          2HB       ALA  32  55.556  -2.267   9.493
  232   3HB   ALA  32          3HB       ALA  32  55.026  -3.608  10.507
  233    H    LYS  33           H        LYS  33  58.376  -4.877   8.863
  234    HA   LYS  33           HA       LYS  33  57.998  -7.317  10.479
  235   1HB   LYS  33          2HB       LYS  33  57.663  -7.230   8.009
  236   2HB   LYS  33          1HB       LYS  33  59.373  -6.825   7.816
  237   1HG   LYS  33          2HG       LYS  33  59.588  -9.095   7.604
  238   2HG   LYS  33          1HG       LYS  33  59.600  -9.032   9.366
  239   1HD   LYS  33          2HD       LYS  33  57.743 -10.300   9.400
  240   2HD   LYS  33          1HD       LYS  33  56.876  -9.016   8.554
  241   1HE   LYS  33          2HE       LYS  33  57.420  -9.940   6.402
  242   2HE   LYS  33          1HE       LYS  33  58.586 -11.071   7.115
  243   1HZ   LYS  33          1HZ       LYS  33  55.651 -11.106   7.241
  244   2HZ   LYS  33          2HZ       LYS  33  56.529 -11.727   8.556
  245   3HZ   LYS  33          3HZ       LYS  33  56.732 -12.392   7.008
  246    H    TYR  34           H        TYR  34  60.655  -5.254   9.308
  247    HA   TYR  34           HA       TYR  34  62.710  -6.886  10.629
  248   1HB   TYR  34          2HB       TYR  34  62.532  -4.381   8.983
  249   2HB   TYR  34          1HB       TYR  34  64.016  -4.697   9.890
  250    HD1  TYR  34           HD1      TYR  34  65.444  -6.604   9.355
  251    HD2  TYR  34           HD2      TYR  34  61.825  -5.860   7.163
  252    HE1  TYR  34           HE1      TYR  34  66.169  -8.209   7.610
  253    HE2  TYR  34           HE2      TYR  34  62.551  -7.466   5.419
  254    HH   TYR  34           HH       TYR  34  64.146  -8.841   4.739
  255    H    ALA  35           H        ALA  35  60.483  -4.561  11.649
  256    HA   ALA  35           HA       ALA  35  61.777  -2.817  13.385
  257   1HB   ALA  35          1HB       ALA  35  59.630  -2.472  14.045
  258   2HB   ALA  35          2HB       ALA  35  59.438  -4.148  14.559
  259   3HB   ALA  35          3HB       ALA  35  59.205  -3.712  12.865
  260    H    GLY  36           H        GLY  36  62.933  -3.046  15.279
  261   1HA   GLY  36          2HA       GLY  36  63.604  -4.067  17.328
  262   2HA   GLY  36          1HA       GLY  36  62.658  -5.492  16.899
  263    H    GLN  37           H        GLN  37  65.202  -3.826  15.040
  264    HA   GLN  37           HA       GLN  37  66.761  -6.392  15.092
  265   1HB   GLN  37          2HB       GLN  37  65.866  -4.539  12.940
  266   2HB   GLN  37          1HB       GLN  37  67.487  -5.216  12.766
  267   1HG   GLN  37          2HG       GLN  37  65.853  -7.361  13.588
  268   2HG   GLN  37          1HG       GLN  37  64.930  -6.504  12.352
  269   1HE2  GLN  37          1HE2      GLN  37  65.594  -8.822  11.333
  270   2HE2  GLN  37          2HE2      GLN  37  67.004  -8.781  10.375
  271    H    ALA  38           H        ALA  38  68.942  -6.181  15.593
  272    HA   ALA  38           HA       ALA  38  69.874  -3.529  16.489
  273   1HB   ALA  38          1HB       ALA  38  70.081  -6.014  17.499
  274   2HB   ALA  38          2HB       ALA  38  71.292  -4.771  17.817
  275   3HB   ALA  38          3HB       ALA  38  71.575  -5.975  16.561
  276    H    GLY  39           H        GLY  39  69.640  -3.432  13.732
  277   1HA   GLY  39          2HA       GLY  39  71.751  -2.343  12.592
  278   2HA   GLY  39          1HA       GLY  39  72.360  -3.997  12.661
  279    H    ALA  40           H        ALA  40  69.041  -2.908  11.950
  280    HA   ALA  40           HA       ALA  40  68.945  -4.659   9.611
  281   1HB   ALA  40          1HB       ALA  40  66.634  -4.033   9.594
  282   2HB   ALA  40          2HB       ALA  40  66.962  -2.539  10.471
  283   3HB   ALA  40          3HB       ALA  40  67.090  -4.092  11.296
  284    H    GLU  41           H        GLU  41  69.611  -1.290  10.234
  285    HA   GLU  41           HA       GLU  41  69.048  -0.304   7.561
  286   1HB   GLU  41          2HB       GLU  41  69.096   1.207   9.436
  287   2HB   GLU  41          1HB       GLU  41  70.698   0.648   9.921
  288   1HG   GLU  41          2HG       GLU  41  70.628   1.612   7.157
  289   2HG   GLU  41          1HG       GLU  41  70.180   2.856   8.324
  290    H    ALA  42           H        ALA  42  71.905  -1.602   9.221
  291    HA   ALA  42           HA       ALA  42  73.832  -1.012   7.171
  292   1HB   ALA  42          1HB       ALA  42  73.796  -2.046   9.722
  293   2HB   ALA  42          2HB       ALA  42  75.210  -2.050   8.667
  294   3HB   ALA  42          3HB       ALA  42  74.176  -3.476   8.762
  295    H    TYR  43           H        TYR  43  71.985  -4.002   7.900
  296    HA   TYR  43           HA       TYR  43  72.923  -5.428   5.562
  297   1HB   TYR  43          2HB       TYR  43  71.984  -6.413   7.674
  298   2HB   TYR  43          1HB       TYR  43  70.402  -5.761   7.233
  299    HD1  TYR  43           HD1      TYR  43  73.161  -7.688   5.557
  300    HD2  TYR  43           HD2      TYR  43  68.942  -7.264   6.239
  301    HE1  TYR  43           HE1      TYR  43  72.733  -9.683   4.149
  302    HE2  TYR  43           HE2      TYR  43  68.513  -9.259   4.830
  303    HH   TYR  43           HH       TYR  43  70.197 -11.456   4.203
  304    H    LEU  44           H        LEU  44  70.325  -3.174   6.202
  305    HA   LEU  44           HA       LEU  44  68.775  -3.691   3.812
  306   1HB   LEU  44          2HB       LEU  44  69.055  -1.588   5.931
  307   2HB   LEU  44          1HB       LEU  44  68.199  -1.144   4.451
  308    HG   LEU  44           HG       LEU  44  67.546  -3.637   6.038
  309   1HD1  LEU  44          1HD1      LEU  44  65.676  -1.360   6.146
  310   2HD1  LEU  44          2HD1      LEU  44  67.199  -1.086   6.992
  311   3HD1  LEU  44          3HD1      LEU  44  66.183  -2.462   7.427
  312   1HD2  LEU  44          1HD2      LEU  44  66.210  -4.045   4.269
  313   2HD2  LEU  44          2HD2      LEU  44  66.736  -2.545   3.504
  314   3HD2  LEU  44          3HD2      LEU  44  65.352  -2.540   4.598
  315    H    ALA  45           H        ALA  45  71.691  -1.946   4.577
  316    HA   ALA  45           HA       ALA  45  71.740  -0.352   2.129
  317   1HB   ALA  45          1HB       ALA  45  73.981   0.241   2.983
  318   2HB   ALA  45          2HB       ALA  45  73.872  -1.056   4.172
  319   3HB   ALA  45          3HB       ALA  45  72.786   0.329   4.276
  320    H    GLN  46           H        GLN  46  73.063  -3.441   3.263
  321    HA   GLN  46           HA       GLN  46  74.774  -3.806   0.921
  322   1HB   GLN  46          2HB       GLN  46  73.942  -5.284   3.371
  323   2HB   GLN  46          1HB       GLN  46  74.531  -6.260   2.025
  324   1HG   GLN  46          2HG       GLN  46  76.406  -4.309   2.030
  325   2HG   GLN  46          1HG       GLN  46  75.992  -4.330   3.744
  326   1HE2  GLN  46          1HE2      GLN  46  75.630  -6.897   4.440
  327   2HE2  GLN  46          2HE2      GLN  46  76.966  -7.876   4.031
  328    H    ARG  47           H        ARG  47  71.472  -4.587   1.807
  329    HA   ARG  47           HA       ARG  47  71.102  -6.410  -0.482
  330   1HB   ARG  47          2HB       ARG  47  69.373  -5.266   1.725
  331   2HB   ARG  47          1HB       ARG  47  68.698  -6.268   0.440
  332   1HG   ARG  47          2HG       ARG  47  71.118  -7.416   1.629
  333   2HG   ARG  47          1HG       ARG  47  69.806  -7.216   2.793
  334   1HD   ARG  47          2HD       ARG  47  68.609  -8.906   1.859
  335   2HD   ARG  47          1HD       ARG  47  68.868  -8.276   0.220
  336    HE   ARG  47           HE       ARG  47  71.357  -9.241   0.926
  337   1HH1  ARG  47          1HH1      ARG  47  68.142 -10.506   0.912
  338   2HH1  ARG  47          2HH1      ARG  47  68.650 -12.137   0.625
  339   1HH2  ARG  47          1HH2      ARG  47  72.025 -11.365   0.551
  340   2HH2  ARG  47          2HH2      ARG  47  70.842 -12.623   0.420
  341    H    ILE  48           H        ILE  48  70.799  -3.041   0.267
  342    HA   ILE  48           HA       ILE  48  68.915  -2.448  -1.912
  343    HB   ILE  48           HB       ILE  48  70.502  -0.908   0.142
  344   1HG1  ILE  48          2HG1      ILE  48  67.527  -0.990  -0.432
  345   2HG1  ILE  48          1HG1      ILE  48  68.324  -2.094   0.690
  346   1HG2  ILE  48          1HG2      ILE  48  69.009   0.143  -2.262
  347   2HG2  ILE  48          2HG2      ILE  48  70.615   0.592  -1.685
  348   3HG2  ILE  48          3HG2      ILE  48  69.181   1.109  -0.796
  349   1HD1  ILE  48          1HD1      ILE  48  67.741   0.802   0.977
  350   2HD1  ILE  48          2HD1      ILE  48  69.311   0.269   1.577
  351   3HD1  ILE  48          3HD1      ILE  48  67.834  -0.456   2.209
  352    H    LYS  49           H        LYS  49  72.409  -2.424  -1.370
  353    HA   LYS  49           HA       LYS  49  72.934  -0.953  -3.867
  354   1HB   LYS  49          2HB       LYS  49  74.315  -1.788  -1.442
  355   2HB   LYS  49          1HB       LYS  49  75.292  -2.100  -2.877
  356   1HG   LYS  49          2HG       LYS  49  75.247   0.172  -3.544
  357   2HG   LYS  49          1HG       LYS  49  73.903   0.548  -2.465
  358   1HD   LYS  49          2HD       LYS  49  76.174   1.345  -1.660
  359   2HD   LYS  49          1HD       LYS  49  75.294   0.328  -0.520
  360   1HE   LYS  49          2HE       LYS  49  76.652  -1.570  -0.989
  361   2HE   LYS  49          1HE       LYS  49  77.303  -0.835  -2.466
  362   1HZ   LYS  49          1HZ       LYS  49  78.272  -0.578   0.155
  363   2HZ   LYS  49          2HZ       LYS  49  77.709   0.947  -0.340
  364   3HZ   LYS  49          3HZ       LYS  49  78.881   0.131  -1.261
  365    H    ASN  50           H        ASN  50  72.492  -4.233  -2.876
  366    HA   ASN  50           HA       ASN  50  73.677  -5.188  -5.464
  367   1HB   ASN  50          2HB       ASN  50  74.719  -5.881  -3.241
  368   2HB   ASN  50          1HB       ASN  50  73.222  -6.759  -2.915
  369   1HD2  ASN  50          1HD2      ASN  50  75.730  -6.465  -5.497
  370   2HD2  ASN  50          2HD2      ASN  50  75.660  -8.108  -5.950
  371    H    GLY  51           H        GLY  51  70.838  -4.838  -3.598
  372   1HA   GLY  51          2HA       GLY  51  68.648  -5.672  -3.808
  373   2HA   GLY  51          1HA       GLY  51  69.010  -5.693  -5.534
  374    H    SER  52           H        SER  52  67.362  -7.704  -4.773
  375    HA   SER  52           HA       SER  52  68.640 -10.103  -5.541
  376   1HB   SER  52          2HB       SER  52  69.195  -9.242  -2.802
  377   2HB   SER  52          1HB       SER  52  68.543 -10.876  -2.872
  378    HG   SER  52           HG       SER  52  70.917 -10.558  -3.140
  379    H    GLN  53           H        GLN  53  67.372 -12.091  -5.023
  380    HA   GLN  53           HA       GLN  53  64.496 -11.440  -4.587
  381   1HB   GLN  53          2HB       GLN  53  64.208 -12.895  -6.301
  382   2HB   GLN  53          1HB       GLN  53  65.958 -12.984  -6.445
  383   1HG   GLN  53          2HG       GLN  53  64.272 -14.774  -4.667
  384   2HG   GLN  53          1HG       GLN  53  64.920 -15.226  -6.239
  385   1HE2  GLN  53          1HE2      GLN  53  67.503 -14.343  -6.236
  386   2HE2  GLN  53          2HE2      GLN  53  68.384 -15.013  -4.938
  387    H    GLY  54           H        GLY  54  63.348 -13.530  -3.522
  388   1HA   GLY  54          2HA       GLY  54  63.111 -14.891  -1.616
  389   2HA   GLY  54          1HA       GLY  54  64.873 -14.935  -1.502
  390    H    VAL  55           H        VAL  55  63.535 -11.810  -1.731
  391    HA   VAL  55           HA       VAL  55  64.308 -11.230   1.070
  392    HB   VAL  55           HB       VAL  55  63.267  -9.325  -1.040
  393   1HG1  VAL  55          1HG1      VAL  55  64.141  -7.698   0.282
  394   2HG1  VAL  55          2HG1      VAL  55  65.564  -8.657   0.686
  395   3HG1  VAL  55          3HG1      VAL  55  64.047  -8.924   1.545
  396   1HG2  VAL  55          1HG2      VAL  55  66.103 -10.373  -0.757
  397   2HG2  VAL  55          2HG2      VAL  55  65.583  -9.095  -1.855
  398   3HG2  VAL  55          3HG2      VAL  55  65.008 -10.744  -2.089
  399    H    TRP  56           H        TRP  56  61.578 -10.240  -1.018
  400    HA   TRP  56           HA       TRP  56  59.758 -10.517   1.346
  401   1HB   TRP  56          2HB       TRP  56  59.902  -8.601  -0.997
  402   2HB   TRP  56          1HB       TRP  56  58.496  -8.702   0.062
  403    HD1  TRP  56           HD1      TRP  56  61.974  -7.330  -0.148
  404    HE1  TRP  56           HE1      TRP  56  62.543  -6.046   2.014
  405    HE3  TRP  56           HE3      TRP  56  58.008  -8.702   2.765
  406    HZ2  TRP  56           HZ2      TRP  56  61.461  -5.653   4.632
  407    HZ3  TRP  56           HZ3      TRP  56  57.805  -7.860   5.088
  408    HH2  TRP  56           HH2      TRP  56  59.524  -6.338   6.022
  409    H    GLY  57           H        GLY  57  60.160 -10.904  -2.149
  410   1HA   GLY  57          2HA       GLY  57  58.275 -13.146  -2.165
  411   2HA   GLY  57          1HA       GLY  57  57.723 -11.735  -3.071
  412    HA   PRO  58           HA       PRO  58  60.333 -14.347  -5.889
  413   1HB   PRO  58          2HB       PRO  58  58.312 -13.912  -7.883
  414   2HB   PRO  58          1HB       PRO  58  58.712 -15.418  -7.052
  415   1HG   PRO  58          2HG       PRO  58  56.348 -13.877  -6.742
  416   2HG   PRO  58          1HG       PRO  58  56.837 -15.280  -5.785
  417   1HD   PRO  58          2HD       PRO  58  56.841 -12.446  -5.025
  418   2HD   PRO  58          1HD       PRO  58  57.048 -13.883  -3.992
  419    H    ILE  59           H        ILE  59  59.733 -11.139  -5.533
  420    HA   ILE  59           HA       ILE  59  60.718 -10.404  -8.263
  421    HB   ILE  59           HB       ILE  59  59.441  -8.695  -6.107
  422   1HG1  ILE  59          2HG1      ILE  59  58.268 -10.255  -8.420
  423   2HG1  ILE  59          1HG1      ILE  59  57.768 -10.273  -6.728
  424   1HG2  ILE  59          1HG2      ILE  59  59.578  -8.148  -9.071
  425   2HG2  ILE  59          2HG2      ILE  59  60.903  -7.688  -8.001
  426   3HG2  ILE  59          3HG2      ILE  59  59.293  -7.010  -7.753
  427   1HD1  ILE  59          1HD1      ILE  59  57.371  -7.681  -7.179
  428   2HD1  ILE  59          2HD1      ILE  59  56.142  -8.872  -7.604
  429   3HD1  ILE  59          3HD1      ILE  59  57.217  -8.231  -8.848
  430    HA   PRO  60           HA       PRO  60  64.445  -9.874  -5.569
  431   1HB   PRO  60          2HB       PRO  60  65.928  -9.981  -8.030
  432   2HB   PRO  60          1HB       PRO  60  65.877 -11.183  -6.746
  433   1HG   PRO  60          2HG       PRO  60  64.709 -11.349  -9.360
  434   2HG   PRO  60          1HG       PRO  60  64.656 -12.557  -8.075
  435   1HD   PRO  60          2HD       PRO  60  62.500 -10.901  -9.025
  436   2HD   PRO  60          1HD       PRO  60  62.458 -12.096  -7.705
  437    H    MET  61           H        MET  61  65.200  -7.803  -5.142
  438    HA   MET  61           HA       MET  61  64.469  -5.593  -6.884
  439   1HB   MET  61          2HB       MET  61  64.567  -5.425  -4.463
  440   2HB   MET  61          1HB       MET  61  66.265  -5.864  -4.458
  441   1HG   MET  61          2HG       MET  61  65.861  -3.665  -6.271
  442   2HG   MET  61          1HG       MET  61  65.152  -3.268  -4.706
  443   1HE   MET  61          1HE       MET  61  67.755  -3.896  -2.178
  444   2HE   MET  61          2HE       MET  61  66.066  -3.923  -2.667
  445   3HE   MET  61          3HE       MET  61  66.918  -2.386  -2.557
  446    HA   PRO  62           HA       PRO  62  68.166  -5.972  -9.398
  447   1HB   PRO  62          2HB       PRO  62  67.671  -3.340 -10.451
  448   2HB   PRO  62          1HB       PRO  62  67.352  -4.893 -11.229
  449   1HG   PRO  62          2HG       PRO  62  65.430  -3.037 -10.249
  450   2HG   PRO  62          1HG       PRO  62  65.123  -4.652 -10.895
  451   1HD   PRO  62          2HD       PRO  62  64.999  -3.749  -8.119
  452   2HD   PRO  62          1HD       PRO  62  64.486  -5.310  -8.805
  453    HA   PRO  63           HA       PRO  63  70.805  -3.752  -6.563
  454   1HB   PRO  63          2HB       PRO  63  72.989  -3.889  -8.425
  455   2HB   PRO  63          1HB       PRO  63  72.718  -4.873  -6.987
  456   1HG   PRO  63          2HG       PRO  63  72.455  -5.660  -9.748
  457   2HG   PRO  63          1HG       PRO  63  72.253  -6.654  -8.302
  458   1HD   PRO  63          2HD       PRO  63  70.198  -5.738 -10.083
  459   2HD   PRO  63          1HD       PRO  63  69.985  -6.645  -8.566
  460    H    ASN  64           H        ASN  64  71.313  -1.563  -6.360
  461    HA   ASN  64           HA       ASN  64  70.899   0.125  -8.798
  462   1HB   ASN  64          2HB       ASN  64  70.664   0.689  -5.823
  463   2HB   ASN  64          1HB       ASN  64  70.287   1.842  -7.107
  464   1HD2  ASN  64          1HD2      ASN  64  69.399  -1.507  -6.077
  465   2HD2  ASN  64          2HD2      ASN  64  67.772  -1.381  -6.573
  466    H    ALA  65           H        ALA  65  72.209   2.160  -8.850
  467    HA   ALA  65           HA       ALA  65  75.020   1.610  -8.069
  468   1HB   ALA  65          1HB       ALA  65  74.520   2.195 -10.387
  469   2HB   ALA  65          2HB       ALA  65  75.421   3.520  -9.652
  470   3HB   ALA  65          3HB       ALA  65  73.676   3.653  -9.867
  471    H    VAL  66           H        VAL  66  73.002   2.427  -6.071
  472    HA   VAL  66           HA       VAL  66  73.387   5.236  -5.422
  473    HB   VAL  66           HB       VAL  66  72.342   4.427  -3.239
  474   1HG1  VAL  66          1HG1      VAL  66  71.255   4.365  -5.949
  475   2HG1  VAL  66          2HG1      VAL  66  70.542   5.012  -4.472
  476   3HG1  VAL  66          3HG1      VAL  66  70.370   3.300  -4.858
  477   1HG2  VAL  66          1HG2      VAL  66  71.526   1.862  -4.253
  478   2HG2  VAL  66          2HG2      VAL  66  72.391   2.227  -2.759
  479   3HG2  VAL  66          3HG2      VAL  66  73.289   1.939  -4.249
  480    H    SER  67           H        SER  67  75.277   6.051  -4.606
  481    HA   SER  67           HA       SER  67  77.590   4.665  -3.909
  482   1HB   SER  67          2HB       SER  67  77.101   7.181  -4.164
  483   2HB   SER  67          1HB       SER  67  76.610   7.144  -2.473
  484    HG   SER  67           HG       SER  67  78.717   7.542  -2.314
  485    H    ASP  68           H        ASP  68  78.512   4.661  -1.521
  486    HA   ASP  68           HA       ASP  68  76.940   2.820   0.032
  487   1HB   ASP  68          2HB       ASP  68  79.475   3.156  -0.086
  488   2HB   ASP  68          1HB       ASP  68  79.243   4.551   0.970
  489    H    ASP  69           H        ASP  69  78.098   6.026   1.125
  490    HA   ASP  69           HA       ASP  69  76.344   6.365   3.282
  491   1HB   ASP  69          2HB       ASP  69  77.824   8.126   1.375
  492   2HB   ASP  69          1HB       ASP  69  76.650   8.894   2.446
  493    H    GLU  70           H        GLU  70  75.630   6.522  -0.135
  494    HA   GLU  70           HA       GLU  70  73.187   8.066   0.104
  495   1HB   GLU  70          2HB       GLU  70  74.444   8.030  -1.948
  496   2HB   GLU  70          1HB       GLU  70  74.424   6.267  -1.992
  497   1HG   GLU  70          2HG       GLU  70  72.616   6.488  -3.319
  498   2HG   GLU  70          1HG       GLU  70  71.744   6.899  -1.842
  499    H    ALA  71           H        ALA  71  73.892   4.590  -0.354
  500    HA   ALA  71           HA       ALA  71  71.127   3.748  -0.201
  501   1HB   ALA  71          1HB       ALA  71  72.961   1.723   0.685
  502   2HB   ALA  71          2HB       ALA  71  73.748   2.648  -0.594
  503   3HB   ALA  71          3HB       ALA  71  72.193   1.871  -0.895
  504    H    GLN  72           H        GLN  72  73.495   4.716   2.120
  505    HA   GLN  72           HA       GLN  72  72.435   3.316   4.430
  506   1HB   GLN  72          2HB       GLN  72  74.658   4.848   3.769
  507   2HB   GLN  72          1HB       GLN  72  73.761   5.904   4.861
  508   1HG   GLN  72          2HG       GLN  72  73.716   3.236   5.917
  509   2HG   GLN  72          1HG       GLN  72  75.385   3.673   5.548
  510   1HE2  GLN  72          1HE2      GLN  72  72.563   4.557   7.510
  511   2HE2  GLN  72          2HE2      GLN  72  73.403   5.620   8.548
  512    H    THR  73           H        THR  73  72.136   6.625   3.149
  513    HA   THR  73           HA       THR  73  70.189   7.524   5.070
  514    HB   THR  73           HB       THR  73  70.251   8.537   2.251
  515    HG1  THR  73           HG1      THR  73  72.265   9.527   2.702
  516   1HG2  THR  73          1HG2      THR  73  70.794  10.251   4.607
  517   2HG2  THR  73          2HG2      THR  73  69.206   9.490   4.561
  518   3HG2  THR  73          3HG2      THR  73  69.723  10.530   3.234
  519    H    LEU  74           H        LEU  74  70.060   5.647   2.123
  520    HA   LEU  74           HA       LEU  74  67.243   5.893   1.559
  521   1HB   LEU  74          2HB       LEU  74  69.422   3.869   0.969
  522   2HB   LEU  74          1HB       LEU  74  67.779   3.646   0.380
  523    HG   LEU  74           HG       LEU  74  69.495   6.084  -0.154
  524   1HD1  LEU  74          1HD1      LEU  74  69.202   3.496  -1.499
  525   2HD1  LEU  74          2HD1      LEU  74  70.425   4.745  -1.725
  526   3HD1  LEU  74          3HD1      LEU  74  68.877   4.864  -2.562
  527   1HD2  LEU  74          1HD2      LEU  74  67.330   6.901  -0.313
  528   2HD2  LEU  74          2HD2      LEU  74  66.656   5.326  -0.730
  529   3HD2  LEU  74          3HD2      LEU  74  67.531   6.261  -1.944
  530    H    ALA  75           H        ALA  75  69.165   3.548   3.441
  531    HA   ALA  75           HA       ALA  75  67.028   1.832   4.234
  532   1HB   ALA  75          1HB       ALA  75  68.647   0.990   5.763
  533   2HB   ALA  75          2HB       ALA  75  69.445   2.557   5.897
  534   3HB   ALA  75          3HB       ALA  75  69.597   1.613   4.415
  535    H    LYS  76           H        LYS  76  68.545   4.559   6.007
  536    HA   LYS  76           HA       LYS  76  66.749   4.566   8.222
  537   1HB   LYS  76          2HB       LYS  76  68.237   6.865   6.905
  538   2HB   LYS  76          1HB       LYS  76  67.679   6.814   8.576
  539   1HG   LYS  76          2HG       LYS  76  69.201   4.448   8.096
  540   2HG   LYS  76          1HG       LYS  76  70.139   5.820   7.508
  541   1HD   LYS  76          2HD       LYS  76  70.763   5.978   9.701
  542   2HD   LYS  76          1HD       LYS  76  69.232   6.842   9.849
  543   1HE   LYS  76          2HE       LYS  76  68.104   4.689  10.429
  544   2HE   LYS  76          1HE       LYS  76  69.686   3.885  10.387
  545   1HZ   LYS  76          1HZ       LYS  76  70.500   5.470  12.018
  546   2HZ   LYS  76          2HZ       LYS  76  69.150   4.639  12.629
  547   3HZ   LYS  76          3HZ       LYS  76  68.987   6.235  12.068
  548    H    TRP  77           H        TRP  77  66.354   5.605   4.944
  549    HA   TRP  77           HA       TRP  77  64.165   7.481   5.462
  550   1HB   TRP  77          2HB       TRP  77  65.705   7.701   3.558
  551   2HB   TRP  77          1HB       TRP  77  65.224   6.107   2.969
  552    HD1  TRP  77           HD1      TRP  77  63.388   9.383   3.951
  553    HE1  TRP  77           HE1      TRP  77  61.512   9.782   2.225
  554    HE3  TRP  77           HE3      TRP  77  64.024   5.271   0.999
  555    HZ2  TRP  77           HZ2      TRP  77  60.425   8.521  -0.101
  556    HZ3  TRP  77           HZ3      TRP  77  62.555   4.893  -0.965
  557    HH2  TRP  77           HH2      TRP  77  60.760   6.512  -1.516
  558    H    ILE  78           H        ILE  78  64.476   4.120   4.299
  559    HA   ILE  78           HA       ILE  78  61.725   3.643   3.721
  560    HB   ILE  78           HB       ILE  78  64.077   1.940   4.572
  561   1HG1  ILE  78          2HG1      ILE  78  63.035   1.246   2.030
  562   2HG1  ILE  78          1HG1      ILE  78  63.060   3.007   2.087
  563   1HG2  ILE  78          1HG2      ILE  78  62.555   0.380   5.209
  564   2HG2  ILE  78          2HG2      ILE  78  62.290   0.171   3.478
  565   3HG2  ILE  78          3HG2      ILE  78  61.224   1.221   4.414
  566   1HD1  ILE  78          1HD1      ILE  78  65.275   1.163   1.842
  567   2HD1  ILE  78          2HD1      ILE  78  65.479   2.185   3.264
  568   3HD1  ILE  78          3HD1      ILE  78  65.270   2.918   1.674
  569    H    LEU  79           H        LEU  79  63.600   2.890   6.687
  570    HA   LEU  79           HA       LEU  79  61.357   1.979   8.225
  571   1HB   LEU  79          2HB       LEU  79  64.060   3.168   8.910
  572   2HB   LEU  79          1HB       LEU  79  62.975   2.496  10.128
  573    HG   LEU  79           HG       LEU  79  63.220   0.649   7.925
  574   1HD1  LEU  79          1HD1      LEU  79  65.837   0.684   9.227
  575   2HD1  LEU  79          2HD1      LEU  79  65.552   2.129   8.258
  576   3HD1  LEU  79          3HD1      LEU  79  65.441   0.534   7.514
  577   1HD2  LEU  79          1HD2      LEU  79  64.275   0.413  10.756
  578   2HD2  LEU  79          2HD2      LEU  79  63.732  -0.890   9.698
  579   3HD2  LEU  79          3HD2      LEU  79  62.564   0.254  10.357
  580    H    SER  80           H        SER  80  62.530   5.173   7.425
  581    HA   SER  80           HA       SER  80  61.207   6.590   9.589
  582   1HB   SER  80          2HB       SER  80  62.862   7.100   7.252
  583   2HB   SER  80          1HB       SER  80  61.581   8.301   7.393
  584    HG   SER  80           HG       SER  80  62.535   9.075   9.098
  585    H    GLN  81           H        GLN  81  60.251   5.495   6.372
  586    HA   GLN  81           HA       GLN  81  58.098   7.097   5.701
  587   1HB   GLN  81          2HB       GLN  81  58.851   4.255   5.439
  588   2HB   GLN  81          1HB       GLN  81  57.127   4.568   5.237
  589   1HG   GLN  81          2HG       GLN  81  58.265   4.752   3.073
  590   2HG   GLN  81          1HG       GLN  81  57.662   6.332   3.574
  591   1HE2  GLN  81          1HE2      GLN  81  59.260   7.892   4.445
  592   2HE2  GLN  81          2HE2      GLN  81  60.914   7.721   4.066
  593    H    LYS  82           H        LYS  82  57.875   4.278   7.915
  594    HA   LYS  82           HA       LYS  82  56.207   3.749   9.515
  595   1HB   LYS  82          2HB       LYS  82  57.570   5.908  10.221
  596   2HB   LYS  82          1HB       LYS  82  56.020   6.711   9.971
  597   1HG   LYS  82          2HG       LYS  82  55.511   6.063  12.076
  598   2HG   LYS  82          1HG       LYS  82  55.333   4.440  11.411
  599   1HD   LYS  82          2HD       LYS  82  57.635   3.907  11.923
  600   2HD   LYS  82          1HD       LYS  82  57.960   5.571  12.406
  601   1HE   LYS  82          2HE       LYS  82  55.685   4.383  13.845
  602   2HE   LYS  82          1HE       LYS  82  57.228   3.561  14.150
  603   1HZ   LYS  82          1HZ       LYS  82  57.062   5.424  15.629
  604   2HZ   LYS  82          2HZ       LYS  82  56.696   6.478  14.348
  605   3HZ   LYS  82          3HZ       LYS  82  58.240   5.780  14.462
  606    HHA  HEM  83           HHA      HEM  83  62.990  -4.955  -1.442
  607    HHB  HEM  83           HHB      HEM  83  65.607   0.780  -0.377
  608    HHC  HEM  83           HHC      HEM  83  65.006   2.016  -6.542
  609    HHD  HEM  83           HHD      HEM  83  61.722  -3.330  -7.301
  610   1HMA  HEM  83          1HMA      HEM  83  66.007  -0.484   1.351
  611   2HMA  HEM  83          2HMA      HEM  83  66.551  -2.132   1.663
  612   3HMA  HEM  83          3HMA      HEM  83  64.955  -1.613   2.204
  613   1HAA  HEM  83          1HAA      HEM  83  63.886  -4.827   0.959
  614   2HAA  HEM  83          2HAA      HEM  83  65.555  -4.388   1.308
  615   1HBA  HEM  83          1HBA      HEM  83  65.769  -5.143  -1.308
  616   2HBA  HEM  83          2HBA      HEM  83  64.472  -6.206  -0.767
  617    H2A  HEM  83          3HBB      HEM  83  68.236   2.568  -4.575
  618   1HMB  HEM  83          1HMB      HEM  83  66.977   2.514  -0.878
  619   2HMB  HEM  83          2HMB      HEM  83  65.678   3.664  -1.202
  620   3HMB  HEM  83          3HMB      HEM  83  67.185   3.754  -2.114
  621    HAB  HEM  83           HAB      HEM  83  65.763   3.522  -5.800
  622   1HBB  HEM  83          1HBB      HEM  83  68.321   4.251  -5.100
  623   2HBB  HEM  83          2HBB      HEM  83  67.895   2.988  -6.255
  624   1HMC  HEM  83          1HMC      HEM  83  64.736   1.807  -8.584
  625   2HMC  HEM  83          2HMC      HEM  83  63.132   1.597  -9.288
  626   3HMC  HEM  83          3HMC      HEM  83  64.467   0.573  -9.815
  627    HAC  HEM  83           HAC      HEM  83  61.621  -2.454  -8.922
  628   1HBC  HEM  83          1HBC      HEM  83  63.769  -2.105 -10.305
  629   2HBC  HEM  83          2HBC      HEM  83  62.981  -0.647 -10.909
  630   1HMD  HEM  83          1HMD      HEM  83  60.482  -6.442  -5.723
  631   2HMD  HEM  83          2HMD      HEM  83  61.735  -6.087  -6.911
  632   3HMD  HEM  83          3HMD      HEM  83  60.357  -5.001  -6.732
  633   1HAD  HEM  83          1HAD      HEM  83  63.020  -6.768  -2.689
  634   2HAD  HEM  83          2HAD      HEM  83  62.516  -7.335  -4.279
  635   1HBD  HEM  83          1HBD      HEM  83  60.127  -6.564  -3.290
  636   2HBD  HEM  83          2HBD      HEM  83  60.941  -7.019  -1.792
  637    H2D  HEM  83          3HBC      HEM  83  62.241  -2.225 -11.179