*HEADER    HYDROLASE                               05-MAY-98   1BC4      
*TITLE     THE SOLUTION STRUCTURE OF A CYTOTOXIC RIBONUCLEASE FROM THE   
*TITLE    2 OOCYTES OF RANA CATESBEIANA (BULLFROG), NMR, 15 STRUCTURES   
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: RIBONUCLEASE;                                      
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: RC RNASE;                                           
*COMPND   5 EC: 3.1.27.5                                                 
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: RANA CATESBEIANA;                       
*SOURCE   3 ORGANISM_COMMON: BULLFROG                                    
*KEYWDS    HYDROLASE, PHOSPHORIC DIESTER, RC-RNASE, CYTOTOXIC PROTEIN,   
*KEYWDS   2 SIALIC ACID BINDING LECTIN                                   
*EXPDTA    NMR, 15 STRUCTURES                                            
*AUTHOR    C.-F.CHANG,C.CHEN,Y.-C.CHEN,K.HOM,R.-F.HUANG,T.HUANG          
*REVDAT   1   12-OCT-04 1BC4    0   

remarks rncis_3.tbl final restraints (generated on 07/22/97)    
remarks modified from rnnew_2.tbl and add more 
remarks Constrants from rnsa.dis           
remarks VL 2.50 0.50 0.30; L 3.00 0.50 0.50; M 3.50 0.50 0.50 
remarks SM 3.50 0.50 1.00; S 3.80 0.50 1.00; S 4.00 0.50 1.50 
remarks Original input reference distance: 1.79 
remarks Current  input reference distance: 1.79 
remarks Distance cut-off                 : 5.00 
set wrnlev=0 end 
remarks Group 1: HNi/HNi+1 
assign (resid    2 and  name HN   )(resid    3 and  name HN   ) 4.00 0.20 2.00 
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 3.00 0.50 0.30 
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 3.00 0.50 0.30 
assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 3.00 0.50 0.30 
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 3.00 0.50 0.30 
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 3.00 0.50 0.30 
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 3.00 0.50 0.30 
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 3.00 0.50 0.30 
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 3.00 0.50 0.30 
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 4.00 0.20 2.00 
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 3.80 0.20 2.00 
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 3.20 0.50 0.50 
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 3.20 0.50 0.50 
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 4.00 0.20 2.00 
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 3.20 0.50 0.50 
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 3.00 0.50 0.30 
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 3.00 0.50 0.30 
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 3.00 0.50 0.30 
assign (resid   24 and  name HN   )(resid   25 and  name HN   ) 3.50 0.20 1.00 
assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 4.50 0.30 2.00 
assign (resid   26 and  name HN   )(resid   27 and  name HN   ) 3.20 0.50 0.50 
assign (resid   27 and  name HN   )(resid   28 and  name HN   ) 3.20 0.50 0.50 
assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 4.00 0.50 1.00 
assign (resid   29 and  name HN   )(resid   30 and  name HN   ) 4.50 0.30 2.00 
assign (resid   30 and  name HN   )(resid   31 and  name HN   ) 4.50 0.30 2.00 
assign (resid   31 and  name HN   )(resid   32 and  name HN   ) 3.20 0.50 0.50 
assign (resid   32 and  name HN   )(resid   33 and  name HN   ) 3.00 0.50 0.30 
assign (resid   33 and  name HN   )(resid   34 and  name HN   ) 3.00 0.50 0.50 
assign (resid   35 and  name HN   )(resid   36 and  name HN   ) 4.00 0.20 2.00 
assign (resid   36 and  name HN   )(resid   37 and  name HN   ) 3.00 0.50 0.30 
assign (resid   37 and  name HN   )(resid   38 and  name HN   ) 4.00 0.20 2.00 
assign (resid   38 and  name HN   )(resid   39 and  name HN   ) 4.00 0.20 2.00 
assign (resid   39 and  name HN   )(resid   40 and  name HN   ) 4.50 0.30 2.00 
assign (resid   41 and  name HN   )(resid   42 and  name HN   ) 4.50 0.30 2.00 
assign (resid   42 and  name HN   )(resid   43 and  name HN   ) 4.50 0.30 2.00 
assign (resid   43 and  name HN   )(resid   44 and  name HN   ) 4.50 0.30 2.00 
assign (resid   44 and  name HN   )(resid   45 and  name HN   ) 4.50 0.30 2.00 
assign (resid   45 and  name HN   )(resid   46 and  name HN   ) 3.20 0.50 0.50 
assign (resid   46 and  name HN   )(resid   47 and  name HN   ) 3.20 0.50 0.50 
assign (resid   47 and  name HN   )(resid   48 and  name HN   ) 3.00 0.50 0.30 
assign (resid   48 and  name HN   )(resid   49 and  name HN   ) 3.00 0.50 0.30 
assign (resid   49 and  name HN   )(resid   50 and  name HN   ) 3.00 0.50 0.30 
assign (resid   50 and  name HN   )(resid   51 and  name HN   ) 3.00 0.50 0.30 
assign (resid   51 and  name HN   )(resid   52 and  name HN   ) 3.50 0.50 1.00 
assign (resid   53 and  name HN   )(resid   54 and  name HN   ) 4.50 0.20 2.00 
assign (resid   54 and  name HN   )(resid   55 and  name HN   ) 3.00 0.50 0.30 
assign (resid   56 and  name HN   )(resid   57 and  name HN   ) 3.50 0.50 0.50 
assign (resid   57 and  name HN   )(resid   58 and  name HN   ) 4.50 0.50 2.00 
assign (resid   58 and  name HN   )(resid   59 and  name HN   ) 4.50 0.20 2.00 
assign (resid   59 and  name HN   )(resid   60 and  name HN   ) 4.50 0.20 2.00 
assign (resid   60 and  name HN   )(resid   61 and  name HN   ) 4.50 0.20 2.00 
assign (resid   61 and  name HN   )(resid   62 and  name HN   ) 4.50 0.20 2.50 
assign (resid   62 and  name HN   )(resid   63 and  name HN   ) 4.50 0.20 2.50 
assign (resid   63 and  name HN   )(resid   64 and  name HN   ) 3.50 1.50 1.50 
assign (resid   66 and  name HN   )(resid   67 and  name HN   ) 4.00 0.40 2.00 
assign (resid   67 and  name HN   )(resid   68 and  name HN   ) 4.50 0.20 2.00 
assign (resid   69 and  name HN   )(resid   70 and  name HN   ) 4.50 0.20 2.00 
assign (resid   70 and  name HN   )(resid   71 and  name HN   ) 4.50 0.20 2.00 
assign (resid   71 and  name HN   )(resid   72 and  name HN   ) 4.50 0.20 2.50 
assign (resid   72 and  name HN   )(resid   73 and  name HN   ) 4.50 0.20 2.50 
assign (resid   73 and  name HN   )(resid   74 and  name HN   ) 4.50 0.20 2.00 
assign (resid   74 and  name HN   )(resid   75 and  name HN   ) 3.20 0.50 0.50 
assign (resid   75 and  name HN   )(resid   76 and  name HN   ) 4.00 0.20 2.00 
assign (resid   76 and  name HN   )(resid   77 and  name HN   ) 4.50 0.20 2.00 
assign (resid   83 and  name HN   )(resid   84 and  name HN   ) 4.50 0.20 2.00 
assign (resid   84 and  name HN   )(resid   85 and  name HN   ) 4.50 0.20 2.00 
assign (resid   85 and  name HN   )(resid   86 and  name HN   ) 4.50 0.20 2.00 
assign (resid   86 and  name HN   )(resid   87 and  name HN   ) 4.50 0.20 2.00 
assign (resid   87 and  name HN   )(resid   88 and  name HN   ) 4.50 0.20 2.00 
assign (resid   88 and  name HN   )(resid   89 and  name HN   ) 4.50 0.20 2.00 
assign (resid   89 and  name HN   )(resid   90 and  name HN   ) 4.50 0.20 2.00 
assign (resid   90 and  name HN   )(resid   91 and  name HN   ) 4.50 0.20 2.00 
assign (resid   91 and  name HN   )(resid   92 and  name HN   ) 4.50 0.20 1.00 
assign (resid   93 and  name HN   )(resid   94 and  name HN   ) 4.50 0.20 2.00 
assign (resid   94 and  name HN   )(resid   95 and  name HN   ) 4.50 0.20 2.00 
assign (resid   95 and  name HN   )(resid   96 and  name HN   ) 4.50 0.20 2.00 
assign (resid   96 and  name HN   )(resid   97 and  name HN   ) 4.00 0.50 1.00 
assign (resid   97 and  name HN   )(resid   98 and  name HN   ) 4.50 0.20 2.00 
assign (resid   98 and  name HN   )(resid   99 and  name HN   ) 3.50 0.50 0.50 
assign (resid   99 and  name HN   )(resid  100 and  name HN   ) 3.00 0.50 0.30 
assign (resid  102 and  name HN   )(resid  103 and  name HN   ) 3.00 0.50 0.50 
assign (resid  103 and  name HN   )(resid  104 and  name HN   ) 4.50 0.20 2.00 
assign (resid  104 and  name HN   )(resid  105 and  name HN   ) 4.50 0.20 2.00 
assign (resid  105 and  name HN   )(resid  106 and  name HN   ) 2.80 0.50 0.50 
remarks Group 2: HNi/HNj 
assign (resid   30 and  name HN   )(resid   33 and  name HN   ) 3.50 0.50 1.00 
assign (resid   38 and  name HN   )(resid   71 and  name HN   ) 3.50 0.50 1.00  
assign (resid   40 and  name HN   )(resid   69 and  name HN   ) 3.50 0.50 1.00! 
assign (resid   40 and  name HN   )(resid   71 and  name HN   ) 4.00 0.50 1.00  
assign (resid   60 and  name HN   )(resid   94 and  name HN   ) 3.50 0.50 0.50 
assign (resid   60 and  name HN   )(resid   96 and  name HN   ) 4.30 0.50 1.00 
assign (resid   62 and  name HN   )(resid   92 and  name HN   ) 3.50 0.50 0.50 
assign (resid   68 and  name HN   )(resid   88 and  name HN   ) 3.50 0.50 1.00! 
assign (resid   70 and  name HN   )(resid   86 and  name HN   ) 3.50 0.50 0.50 
assign (resid   71 and  name HN   )(resid   38 and  name HN   ) 3.50 0.50 1.00 
assign (resid   72 and  name HN   )(resid   84 and  name HN   ) 3.50 0.50 1.00! 
assign (resid   90 and  name HN   )(resid   66 and  name HN   ) 3.50 0.50 1.00! 
assign (resid   91 and  name HN   )(resid   66 and  name HN   ) 3.50 0.50 1.00  
assign (resid   91 and  name HN   )(resid   68 and  name HN   ) 4.00 0.30 1.50  
assign (resid   93 and  name HN   )(resid   91 and  name HN   ) 4.50 0.50 2.50 
assign (resid   93 and  name HN   )(resid  106 and  name HN   ) 3.50 0.50 1.00 
assign (resid   95 and  name HN   )(resid  103 and  name HN   ) 3.50 0.50 1.00 
assign (resid   96 and  name HN   )(resid   58 and  name HN   ) 3.50 0.50 0.50 
assign (resid   97 and  name HN   )(resid  100 and  name HN   ) 3.00 0.50 0.50! 
remarks Group 3: HAi/HAj 
assign (resid   37 and  name HA   )(resid   72 and  name HA   ) 2.80 0.50 0.50 
assign (resid   39 and  name HA   )(resid   70 and  name HA   ) 2.80 0.50 0.50 
assign (resid   57 and  name HA   )(resid   97 and  name HA   ) 2.80 0.50 0.50 
assign (resid   59 and  name HA   )(resid   95 and  name HA   ) 2.80 0.50 0.50 
assign (resid   65 and  name HA   )(resid   91 and  name HA   ) 2.80 0.50 1.00 
assign (resid   68 and  name HA   )(resid   41 and  name HA   ) 2.80 0.50 0.50 
assign (resid   71 and  name HA   )(resid   85 and  name HA   ) 2.80 0.50 0.50 
assign (resid   83 and  name HA   )(resid   73 and  name HA   ) 2.80 0.50 0.50 
assign (resid   87 and  name HA   )(resid   69 and  name HA   ) 2.80 0.50 0.50 
assign (resid   93 and  name HA   )(resid   61 and  name HA   ) 2.80 0.50 0.50 
assign (resid  101 and  name HA   )(resid   96 and  name HA   ) 2.80 0.50 0.50! 
assign (resid  104 and  name HA   )(resid   94 and  name HA   ) 2.80 0.50 0.80! 
assign (resid  107 and  name HA   )(resid   92 and  name HA   ) 2.80 0.50 0.50  
!assign (resid  105 and  name HA   )(resid   92 and  name HA   ) 2.80 0.50 1.50! 
remarks Group 4: HNi/HAj 
assign (resid    7 and  name HN   )(resid    3 and  name HA   ) 4.00 0.50 2.00 
assign (resid    7 and  name HN   )(resid    5 and  name HA   ) 4.00 0.50 2.00 
assign (resid    8 and  name HN   )(resid    4 and  name HA   ) 4.00 0.50 1.50 
assign (resid   10 and  name HN   )(resid    6 and  name HA   ) 4.00 0.50 1.50 
assign (resid   11 and  name HN   )(resid    7 and  name HA   ) 3.20 0.50 1.00 
assign (resid   12 and  name HN   )(resid   42 and  name HA   ) 4.00 0.50 1.00 
assign (resid   23 and  name HN   )(resid   19 and  name HA   ) 4.00 0.50 1.50 
assign (resid   24 and  name HN   )(resid   21 and  name HA   ) 4.00 0.50 1.00 
assign (resid   24 and  name HN   )(resid   22 and  name HA   ) 4.00 0.50 1.00 
assign (resid   28 and  name HN   )(resid   26 and  name HA   ) 4.00 0.50 1.00 
assign (resid   29 and  name HN   )(resid   26 and  name HA   ) 4.00 0.50 1.00 
assign (resid   29 and  name HN   )(resid   27 and  name HA   ) 4.00 0.50 1.00 
assign (resid   33 and  name HN   )(resid   29 and  name HA   ) 4.50 0.50 1.50 
assign (resid   35 and  name HN   )(resid   29 and  name HA   ) 4.30 0.50 1.50 
assign (resid   38 and  name HN   )(resid   70 and  name HA   ) 4.00 0.50 1.50 
assign (resid   38 and  name HN   )(resid   72 and  name HA   ) 2.80 0.30 1.00 
assign (resid   40 and  name HN   )(resid   70 and  name HA   ) 2.80 0.30 1.00 
assign (resid   40 and  name HN   )(resid   72 and  name HA   ) 4.50 0.50 2.80 
assign (resid   41 and  name HN   )(resid   11 and  name HA   ) 2.80 0.30 1.00 
assign (resid   42 and  name HN   )(resid   68 and  name HA   ) 2.80 0.30 1.00 
assign (resid   43 and  name HN   )(resid   13 and  name HA   ) 3.50 0.50 1.00 
assign (resid   51 and  name HN   )(resid   49 and  name HA   ) 4.30 0.50 1.00 
assign (resid   55 and  name HN   )(resid   99 and  name HA   ) 3.00 0.50 1.00 
assign (resid   57 and  name HN   )(resid   96 and  name HA   ) 4.50 0.50 1.50 
assign (resid   58 and  name HN   )(resid   97 and  name HA   ) 3.50 0.30 1.00 
assign (resid   60 and  name HN   )(resid   93 and  name HA   ) 3.50 0.50 1.50 
assign (resid   60 and  name HN   )(resid   95 and  name HA   ) 2.80 0.30 1.00 
assign (resid   62 and  name HN   )(resid   93 and  name HA   ) 2.80 0.30 1.00 
assign (resid   62 and  name HN   )(resid  108 and  name HA*  ) 4.00 0.50 1.50 
assign (resid   66 and  name HN   )(resid   90 and  name HA   ) 4.00 0.50 1.00 
assign (resid   66 and  name HN   )(resid   91 and  name HA   ) 3.50 0.50 1.00 
assign (resid   68 and  name HN   )(resid   41 and  name HA   ) 4.00 0.50 1.50 
assign (resid   68 and  name HN   )(resid   87 and  name HA   ) 4.00 0.50 1.50 
assign (resid   68 and  name HN   )(resid   89 and  name HA   ) 4.50 0.50 1.00 
assign (resid   68 and  name HN   )(resid   90 and  name HA   ) 4.00 0.50 1.00 
assign (resid   69 and  name HN   )(resid   41 and  name HA   ) 2.80 0.30 1.50 
assign (resid   70 and  name HN   )(resid   87 and  name HA   ) 2.80 0.30 1.50 
assign (resid   71 and  name HN   )(resid   37 and  name HA   ) 4.30 0.50 1.00 
assign (resid   71 and  name HN   )(resid   39 and  name HA   ) 2.80 0.30 1.00 
assign (resid   72 and  name HN   )(resid   85 and  name HA   ) 2.80 0.30 1.00 
assign (resid   73 and  name HN   )(resid   36 and  name HA   ) 3.20 0.50 0.50 
assign (resid   73 and  name HN   )(resid   37 and  name HA   ) 2.80 0.30 1.00 
assign (resid   74 and  name HN   )(resid   83 and  name HA   ) 2.80 0.30 1.00 
assign (resid   84 and  name HN   )(resid   71 and  name HA   ) 4.00 0.30 1.00 
assign (resid   84 and  name HN   )(resid   73 and  name HA   ) 3.80 0.50 1.00 
assign (resid   86 and  name HN   )(resid   71 and  name HA   ) 4.00 0.50 1.50 
assign (resid   88 and  name HN   )(resid   69 and  name HA   ) 4.00 0.50 1.00 
assign (resid   91 and  name HN   )(resid   65 and  name HA   ) 4.00 0.50 1.50 
assign (resid   91 and  name HN   )(resid   89 and  name HA   ) 2.80 0.30 2.20 
assign (resid   91 and  name HN   )(resid  108 and  name HA*  ) 4.30 0.50 1.20 
assign (resid   94 and  name HN   )(resid   59 and  name HA   ) 4.00 0.50 1.50 
assign (resid   94 and  name HN   )(resid   61 and  name HA   ) 2.80 0.30 1.00 
assign (resid   95 and  name HN   )(resid  103 and  name HA   ) 4.00 0.50 1.50 
assign (resid   96 and  name HN   )(resid   59 and  name HA   ) 2.80 0.30 1.00 
assign (resid   98 and  name HN   )(resid   56 and  name HA   ) 3.20 0.50 0.50 
assign (resid   98 and  name HN   )(resid   57 and  name HA   ) 4.00 0.50 1.50 
assign (resid   99 and  name HN   )(resid   56 and  name HA   ) 2.80 0.30 1.00 
assign (resid  100 and  name HN   )(resid   96 and  name HA   ) 3.80 0.50 1.00 
assign (resid  100 and  name HN   )(resid   97 and  name HA   ) 4.00 0.50 1.50 
assign (resid  102 and  name HN   )(resid   96 and  name HA   ) 2.80 0.30 1.00 
assign (resid  103 and  name HN   )(resid   95 and  name HA   ) 4.00 0.30 1.20 
assign (resid  105 and  name HN   )(resid   94 and  name HA   ) 2.80 0.50 1.00!     
assign (resid  108 and  name HN   )(resid   92 and  name HA   ) 3.20 0.50 1.00!     
remarks Group 5: HNi/HAi-3  
assign (resid    6 and  name HN   )(resid    3 and  name HA   ) 2.80 0.30 1.00 
assign (resid    7 and  name HN   )(resid    4 and  name HA   ) 2.80 0.30 1.00 
assign (resid    8 and  name HN   )(resid    5 and  name HA   ) 2.80 0.30 1.00 
assign (resid    9 and  name HN   )(resid    6 and  name HA   ) 2.80 0.30 1.00 
assign (resid   10 and  name HN   )(resid    7 and  name HA   ) 2.80 0.30 1.00 
assign (resid   11 and  name HN   )(resid    8 and  name HA   ) 2.80 0.30 1.00! 
assign (resid   22 and  name HN   )(resid   19 and  name HA   ) 2.80 0.30 1.00! 
assign (resid   48 and  name HN   )(resid   45 and  name HA   ) 2.80 0.30 1.00 
assign (resid   49 and  name HN   )(resid   46 and  name HA   ) 2.80 0.30 1.00 
assign (resid   50 and  name HN   )(resid   47 and  name HA   ) 2.80 0.30 1.00 
assign (resid   51 and  name HN   )(resid   48 and  name HA   ) 2.80 0.30 1.00 
assign (resid   52 and  name HN   )(resid   49 and  name HA   ) 4.30 0.50 1.00 
assign (resid   53 and  name HN   )(resid   50 and  name HA   ) 3.50 0.30 1.00 
remarks Group 6: other constraints   
assign (resid    2 and  name HN   )(resid    5 and  name HB   ) 3.00 0.50 1.00 
assign (resid    2 and  name HN   )(resid    5 and  name HG2* ) 4.00 0.50 2.00 
assign (resid    2 and  name HN   )(resid  102 and  name HG*  ) 4.00 0.50 2.00 
assign (resid    3 and  name HA   )(resid    6 and  name HB1  ) 3.20 0.50 0.50 
assign (resid    3 and  name HA   )(resid    6 and  name HB2  ) 3.10 0.50 0.50 
assign (resid    3 and  name HD1  )(resid    3 and  name HA   ) 4.00 0.50 1.50 
assign (resid    3 and  name HE3  )(resid    3 and  name HA   ) 2.50 0.50 0.50 
assign (resid    3 and  name HE3  )(resid    6 and  name HA   ) 3.50 0.50 2.00 
assign (resid    3 and  name HH2  )(resid   46 and  name HA   ) 3.80 0.50 1.00 
assign (resid    3 and  name HH2  )(resid   46 and  name HB   ) 3.50 0.50 1.00 
assign (resid    4 and  name HA   )(resid    7 and  name HB*  ) 3.20 0.50 1.00 
assign (resid    5 and  name HN   )(resid    4 and  name HB*  ) 3.20 0.50 1.00 
assign (resid    5 and  name HA   )(resid    8 and  name HB*  ) 3.20 0.50 0.50 
assign (resid    5 and  name HA   )(resid    8 and  name HG*  ) 4.00 0.50 1.50 
assign (resid    6 and  name HN   )(resid    5 and  name HG2* ) 4.00 0.50 2.00 
assign (resid    6 and  name HD*  )(resid  103 and  name HA   ) 3.20 0.50 2.00 
assign (resid    6 and  name HD*  )(resid    3 and  name HA   ) 4.00 0.50 2.50 
assign (resid    6 and  name HD*  )(resid    6 and  name HB1  ) 3.20 0.50 1.50 
assign (resid    6 and  name HD*  )(resid    6 and  name HB2  ) 3.00 0.50 1.50 
assign (resid    6 and  name HD*  )(resid    7 and  name HA   ) 4.00 0.50 2.50 
assign (resid    6 and  name HD*  )(resid  104 and  name HA   ) 4.00 0.50 2.80 
assign (resid    6 and  name HE*  )(resid    6 and  name HB1  ) 4.30 0.50 1.50 
assign (resid    6 and  name HE*  )(resid    6 and  name HB2  ) 4.00 0.50 1.50 
assign (resid    6 and  name HE*  )(resid    7 and  name HA   ) 4.00 0.50 2.50 
assign (resid    6 and  name HE*  )(resid  103 and  name HA   ) 4.50 0.50 1.50 
assign (resid    6 and  name HE*  )(resid  104 and  name HA   ) 3.20 0.50 1.50 
assign (resid    6 and  name HZ   )(resid    3 and  name HA   ) 4.00 0.50 3.00 
assign (resid    6 and  name HZ   )(resid  104 and  name HA   ) 4.50 0.50 1.50 
assign (resid    7 and  name HN   )(resid    5 and  name HB   ) 4.00 0.50 2.00 
assign (resid    8 and  name HN   )(resid    5 and  name HG2* ) 4.50 0.20 2.00 
assign (resid    8 and  name HA   )(resid   11 and  name HB*  ) 3.40 0.50 0.50 
assign (resid    9 and  name HN   )(resid    8 and  name HG*  ) 4.50 0.20 2.00 
assign (resid   12 and  name HN   )(resid   11 and  name HG2* ) 4.00 0.50 2.00 
assign (resid   14 and  name HN   )(resid   12 and  name HB   ) 3.20 0.50 1.00 
assign (resid   14 and  name HA   )(resid   15 and  name HD*  ) 3.20 0.50 1.00 
assign (resid   15 and  name HD*  )(resid   14 and  name HA   ) 3.20 0.50 0.50 
assign (resid   15 and  name HD*  )(resid   14 and  name HB   ) 4.00 0.50 1.50 
assign (resid   18 and  name HN   )(resid   17 and  name HD1* ) 4.00 0.50 2.50 
assign (resid   21 and  name HN   )(resid   18 and  name HB*  ) 4.00 0.50 1.50 
assign (resid   21 and  name HA   )(resid   24 and  name HB2  ) 3.80 0.50 0.50 
assign (resid   21 and  name HA   )(resid   24 and  name HB1  ) 3.40 0.50 0.50 
assign (resid   21 and  name HB   )(resid   18 and  name HB2  ) 3.30 0.50 0.50 
assign (resid   21 and  name HB   )(resid   18 and  name HB1  ) 3.80 0.50 0.50 
assign (resid   22 and  name HN   )(resid   21 and  name HG2* ) 4.50 0.50 2.50 
assign (resid   23 and  name HN   )(resid   22 and  name HG2* ) 4.00 0.50 2.50 
assign (resid   25 and  name HN   )(resid   28 and  name HB1  ) 4.00 0.50 1.00 
assign (resid   25 and  name HN   )(resid   28 and  name HB2  ) 4.30 0.50 1.00 
assign (resid   27 and  name HN   )(resid   25 and  name HB2  ) 3.20 0.50 0.50 
assign (resid   27 and  name HN   )(resid   25 and  name HB1  ) 3.50 0.50 0.50 
assign (resid   28 and  name HN   )(resid   25 and  name HB2  ) 4.50 0.50 1.50 
assign (resid   28 and  name HN   )(resid   25 and  name HB1  ) 4.30 0.50 1.00 
assign (resid   28 and  name HN   )(resid   27 and  name HG2* ) 4.00 0.50 2.50 
assign (resid   28 and  name HE*  )(resid    9 and  name HA   ) 3.20 0.50 1.50 
assign (resid   28 and  name HE*  )(resid   23 and  name HA   ) 3.50 0.50 1.00 
assign (resid   28 and  name HE*  )(resid   27 and  name HD*  ) 4.00 0.30 2.00 
assign (resid   28 and  name HE*  )(resid   27 and  name HG2* ) 4.00 0.30 2.00 
assign (resid   28 and  name HD*  )(resid    8 and  name HB*  ) 4.00 0.50 2.50 
assign (resid   28 and  name HD*  )(resid    8 and  name HG*  ) 4.50 0.50 2.50 
assign (resid   28 and  name HD*  )(resid    9 and  name HA   ) 4.50 0.50 2.50 
assign (resid   28 and  name HD*  )(resid   23 and  name HA   ) 4.00 0.50 2.50 
assign (resid   28 and  name HD*  )(resid   25 and  name HB2  ) 3.40 0.50 0.50 
assign (resid   28 and  name HD*  )(resid   25 and  name HB1  ) 3.00 0.50 0.50 
assign (resid   28 and  name HD*  )(resid   28 and  name HA   ) 3.20 0.50 0.50 
assign (resid   28 and  name HD*  )(resid   28 and  name HB1  ) 3.00 0.50 0.50 
assign (resid   28 and  name HD*  )(resid   28 and  name HB2  ) 3.00 0.50 0.50 
assign (resid   31 and  name HN   )(resid   30 and  name HG*  ) 3.20 0.50 2.00! 
assign (resid   32 and  name HN   )(resid   29 and  name HG2* ) 3.80 0.50 1.50! 
assign (resid   32 and  name HN   )(resid   30 and  name HA   ) 3.50 0.50 1.50! 
assign (resid   33 and  name HN   )(resid   29 and  name HG2* ) 3.50 0.50 1.50! 
assign (resid   33 and  name HN   )(resid   31 and  name HA*  ) 3.50 0.50 1.50! 
assign (resid   37 and  name HN   )(resid   35 and  name HG*  ) 3.50 0.50 1.50! 
assign (resid   38 and  name HN   )(resid   37 and  name HG*  ) 3.20 0.50 2.00! 
assign (resid   38 and  name HN   )(resid   70 and  name HG2* ) 3.50 0.50 1.50! 
assign (resid   40 and  name HN   )(resid   39 and  name HG2* ) 3.50 0.50 1.50 
assign (resid   40 and  name HN   )(resid   69 and  name HB1  ) 4.50 0.50 1.00 
assign (resid   40 and  name HN   )(resid   69 and  name HB2  ) 4.00 0.50 1.00 
assign (resid   40 and  name HD*  )(resid   39 and  name HA   ) 4.00 0.50 2.50 
assign (resid   40 and  name HD*  )(resid   70 and  name HA   ) 4.00 0.50 2.50 
assign (resid   40 and  name HE*  )(resid   22 and  name HD1* ) 4.00 0.50 2.00 
assign (resid   41 and  name HN   )(resid   11 and  name HD*  ) 4.30 0.50 2.50 
assign (resid   42 and  name HN   )(resid   66 and  name HB*  ) 4.50 0.50 1.50 
assign (resid   42 and  name HN   )(resid   68 and  name HD*  ) 4.50 0.50 2.00 
assign (resid   43 and  name HN   )(resid   11 and  name HG2* ) 4.20 0.50 2.50 
assign (resid   43 and  name HN   )(resid   42 and  name HG2* ) 4.00 0.50 2.50 
assign (resid   45 and  name HN   )(resid   11 and  name HG2* ) 4.00 0.50 2.50 
assign (resid   49 and  name HN   )(resid   48 and  name HG*  ) 3.20 0.50 2.00 
assign (resid   51 and  name HN   )(resid   50 and  name HB*  ) 4.00 0.50 2.50 
assign (resid   54 and  name HN   )(resid   53 and  name HG2* ) 3.50 0.50 1.50 
assign (resid   54 and  name HN   )(resid   99 and  name HB*  ) 4.00 0.50 2.50 
assign (resid   54 and  name HN   )(resid   99 and  name HG*  ) 4.50 0.50 2.00 
assign (resid   55 and  name HN   )(resid   53 and  name HA   ) 3.80 0.50 1.00 
assign (resid   56 and  name HN   )(resid   55 and  name HG*  ) 3.20 0.50 1.50 
assign (resid   57 and  name HN   )(resid   55 and  name HG*  ) 3.50 0.50 1.50 
assign (resid   57 and  name HA   )(resid   97 and  name HG*  ) 3.50 0.50 1.00 
assign (resid   58 and  name HN   )(resid   55 and  name HG*  ) 4.00 0.50 2.00 
assign (resid   58 and  name HN   )(resid   96 and  name HB*  ) 3.50 0.50 1.00 
assign (resid   60 and  name HN   )(resid   94 and  name HG*  ) 4.50 0.50 2.00 
assign (resid   62 and  name HN   )(resid   94 and  name HG*  ) 3.20 0.50 2.00 
assign (resid   66 and  name HN   )(resid   90 and  name HA   ) 3.50 0.50 1.00 
assign (resid   69 and  name HN   )(resid   39 and  name HG2* ) 3.50 0.50 1.50 
assign (resid   69 and  name HN   )(resid   40 and  name HB2  ) 4.00 0.50 0.80 
assign (resid   69 and  name HN   )(resid   40 and  name HB1  ) 4.50 0.50 1.00 
assign (resid   69 and  name HN   )(resid   68 and  name HD*  ) 3.20 0.50 2.00 
assign (resid   69 and  name HA   )(resid   87 and  name HG2* ) 3.20 0.50 1.50 
assign (resid   70 and  name HN   )(resid   86 and  name HB*  ) 3.20 0.50 1.50 
assign (resid   71 and  name HA   )(resid   72 and  name HB   ) 4.50 0.50 1.50 
assign (resid   71 and  name HA   )(resid   70 and  name HG2* ) 4.50 0.50 2.00 
assign (resid   71 and  name HA   )(resid   85 and  name HB*  ) 4.50 0.50 2.00 
assign (resid   72 and  name HN   )(resid   83 and  name HB1  ) 4.00 0.50 0.80 
assign (resid   72 and  name HN   )(resid   83 and  name HB2  ) 4.50 0.50 1.00 
assign (resid   72 and  name HN   )(resid   83 and  name HD*  ) 4.30 0.50 1.50 
assign (resid   72 and  name HN   )(resid   84 and  name HB*  ) 4.50 0.50 1.50 
assign (resid   72 and  name HA   )(resid   37 and  name HB   ) 4.00 0.50 1.00 
assign (resid   72 and  name HA   )(resid   37 and  name HG*  ) 3.20 0.50 2.00 
assign (resid   73 and  name HN   )(resid   72 and  name HG2* ) 3.50 0.50 2.00 
assign (resid   73 and  name HN   )(resid   83 and  name HD*  ) 4.30 0.50 2.00 
assign (resid   75 and  name HN   )(resid   74 and  name HG2* ) 3.50 0.50 2.00 
assign (resid   77 and  name HA   )(resid   78 and  name HD*  ) 3.20 0.50 1.00 
assign (resid   78 and  name HD*  )(resid   77 and  name HA   ) 3.20 0.50 0.50 
assign (resid   79 and  name HA   )(resid   80 and  name HA   ) 3.20 0.50 0.50 
assign (resid   81 and  name HA   )(resid   82 and  name HD*  ) 3.20 0.50 1.00 
assign (resid   82 and  name HD*  )(resid   81 and  name HA   ) 3.20 0.50 0.50 
assign (resid   82 and  name HD*  )(resid   81 and  name HB*  ) 3.50 0.50 1.00 
assign (resid   83 and  name HE*  )(resid   82 and  name HD*  ) 4.00 0.50 2.50 
assign (resid   84 and  name HN   )(resid   72 and  name HB   ) 3.50 0.50 1.00 
assign (resid   84 and  name HN   )(resid   74 and  name HG2* ) 3.50 0.50 2.00 
assign (resid   86 and  name HN   )(resid   70 and  name HB   ) 3.50 0.50 1.00 
assign (resid   90 and  name HN   )(resid   65 and  name HG*  ) 3.80 0.50 1.00 
assign (resid   90 and  name HN   )(resid   68 and  name HG   ) 3.50 0.50 1.00 
assign (resid   90 and  name HA   )(resid   68 and  name HD*  ) 4.50 0.50 2.50 
assign (resid   91 and  name HD*  )(resid   65 and  name HA   ) 4.00 0.50 2.50 
assign (resid   91 and  name HD*  )(resid  108 and  name HA*  ) 3.00 0.50 1.50 
assign (resid   91 and  name HE*  )(resid   65 and  name HA   ) 4.50 0.50 2.50 
assign (resid   91 and  name HE*  )(resid  108 and  name HA*  ) 4.00 0.50 2.50 
assign (resid   92 and  name HN   )(resid   62 and  name HG   ) 3.00 0.50 0.80 
assign (resid   92 and  name HN   )(resid   66 and  name HD*  ) 3.80 0.50 1.50 
assign (resid   93 and  name HA   )(resid   61 and  name HD*  ) 3.50 0.50 2.00 
assign (resid   95 and  name HN   )(resid   59 and  name HA   ) 4.50 0.50 1.00 
assign (resid   95 and  name HN   )(resid  103 and  name HB*  ) 3.80 0.50 1.00 
assign (resid   95 and  name HN   )(resid  105 and  name HB*  ) 4.50 0.50 2.00 
assign (resid   96 and  name HN   )(resid   60 and  name HG*  ) 4.50 0.50 2.00 
assign (resid   97 and  name HN   )(resid  101 and  name HA   ) 3.50 0.50 1.00 
assign (resid   97 and  name HN   )(resid  102 and  name HG*  ) 3.80 0.50 1.50 
assign (resid   97 and  name HA   )(resid   57 and  name HB2  ) 3.80 0.50 1.00 
assign (resid   97 and  name HA   )(resid   57 and  name HB1  ) 4.20 0.50 1.00 
assign (resid   98 and  name HN   )(resid   56 and  name HG2* ) 4.50 0.50 2.50! 
assign (resid   99 and  name HN   )(resid   52 and  name HB*  ) 4.30 0.50 2.50! 
assign (resid   99 and  name HN   )(resid   96 and  name HB2  ) 4.50 0.50 1.00! 
assign (resid   99 and  name HN   )(resid   96 and  name HB1  ) 4.00 0.50 1.00! 
assign (resid   99 and  name HN   )(resid   97 and  name HA   ) 3.50 0.50 1.50! 
assign (resid  100 and  name HD*  )(resid    3 and  name HB*  ) 3.50 0.50 1.50 
assign (resid  100 and  name HD*  )(resid    6 and  name HA   ) 4.50 0.30 3.00 
assign (resid  100 and  name HD*  )(resid   97 and  name HG*  ) 4.50 0.50 2.50 
assign (resid  100 and  name HE*  )(resid    3 and  name HB*  ) 4.00 0.50 2.00 
assign (resid  100 and  name HE*  )(resid    6 and  name HA   ) 3.20 0.50 2.00 
assign (resid  100 and  name HE*  )(resid    6 and  name HB1  ) 4.20 0.50 1.50 
assign (resid  100 and  name HE*  )(resid    6 and  name HB2  ) 3.80 0.50 1.50 
assign (resid  100 and  name HE*  )(resid    9 and  name HA   ) 4.50 0.50 4.00 
assign (resid  100 and  name HE*  )(resid    9 and  name HB*  ) 3.20 0.50 2.50 
assign (resid  100 and  name HE*  )(resid    9 and  name HG*  ) 4.00 0.50 2.50 
assign (resid  100 and  name HE*  )(resid   10 and  name HB*  ) 4.50 0.50 3.00 
assign (resid  103 and  name HN   )(resid    6 and  name HD*  ) 4.30 0.50 1.50 
assign (resid  103 and  name HN   )(resid   95 and  name HA   ) 3.50 0.50 1.50 
assign (resid  103 and  name HN   )(resid   95 and  name HB*  ) 3.20 0.50 1.20 
assign (resid  103 and  name HN   )(resid   96 and  name HA   ) 3.50 0.50 2.00 
assign (resid  103 and  name HD2  )(resid   95 and  name HA   ) 4.00 0.50 1.50 
assign (resid  103 and  name HD2  )(resid   99 and  name HA   ) 4.00 0.50 3.30 
assign (resid  103 and  name HD2  )(resid  103 and  name HA   ) 4.00 0.50 1.50 
assign (resid  103 and  name HD2  )(resid  103 and  name HB*  ) 3.20 0.50 1.50 
assign (resid  103 and  name HE1  )(resid   99 and  name HA   ) 3.80 0.50 4.50! 
assign (resid  104 and  name HN   )(resid    6 and  name HD*  ) 4.30 0.50 1.50 
assign (resid  104 and  name HE*  )(resid   10 and  name HB1  ) 4.20 0.50 1.50 
assign (resid  104 and  name HE*  )(resid   10 and  name HB2  ) 4.20 0.50 1.50 
assign (resid  104 and  name HE*  )(resid   95 and  name HA   ) 4.50 0.50 2.80 
assign (resid  105 and  name HN   )(resid   94 and  name HG*  ) 3.80 0.50 1.00 
assign (resid  106 and  name HN   )(resid   93 and  name HB1  ) 3.70 0.50 0.70 
assign (resid  106 and  name HN   )(resid   93 and  name HB2  ) 4.00 0.50 1.00 
assign (resid  106 and  name HN   )(resid  105 and  name HB*  ) 4.00 0.50 2.50 
assign (resid  109 and  name HA   )(resid   61 and  name HD*  ) 3.50 0.50 2.00 
assign (resid  110 and  name HA   )(resid  111 and  name HD*  ) 3.20 0.50 1.00 
assign (resid  111 and  name HD*  )(resid  110 and  name HA   ) 3.20 0.50 0.50 
assign (resid  111 and  name HD*  )(resid  110 and  name HB*  ) 3.50 0.50 1.00 
remarks Group 7: aromatic constraints (add on 11/17/95) 
assign (resid    3 and  name HD1  )(resid  100 and  name HD*  ) 3.00 0.50 1.50 
assign (resid    3 and  name HD1  )(resid  100 and  name HE*  ) 3.00 0.50 1.50 
assign (resid    3 and  name HH2  )(resid    6 and  name HD*  ) 4.50 0.30 3.00 
assign (resid    3 and  name HH2  )(resid    6 and  name HE*  ) 4.80 0.30 3.00 
assign (resid    3 and  name HE3  )(resid  100 and  name HE*  ) 3.50 0.50 1.50 
assign (resid    3 and  name HE3  )(resid    6 and  name HD*  ) 3.50 0.50 1.00 
assign (resid    3 and  name HE3  )(resid    6 and  name HE*  ) 3.50 0.50 2.00 
assign (resid    3 and  name HD1  )(resid    3 and  name HA   ) 3.50 0.50 0.50 
assign (resid    6 and  name HE*  )(resid  100 and  name HD*  ) 3.50 0.50 1.50 
assign (resid    6 and  name HD*  )(resid  103 and  name HA   ) 3.50 0.50 1.50 
assign (resid    6 and  name HD*  )(resid    3 and  name HA   ) 3.50 0.50 1.00 
assign (resid    6 and  name HE*  )(resid  103 and  name HA   ) 3.50 0.50 0.50 
assign (resid    6 and  name HD*  )(resid  100 and  name HE*  ) 3.00 0.50 0.50 
assign (resid    7 and  name HN   )(resid    6 and  name HD*  ) 3.50 0.50 1.50 
assign (resid    9 and  name HN   )(resid   28 and  name HE*  ) 4.50 0.50 2.00 
assign (resid   28 and  name HD*  )(resid   28 and  name HA   ) 3.00 0.50 1.00 
assign (resid   28 and  name HE*  )(resid   28 and  name HA   ) 3.50 0.50 1.00 
assign (resid   40 and  name HD*  )(resid   28 and  name HE*  ) 3.50 0.50 1.50 
assign (resid   40 and  name HE*  )(resid   28 and  name HE*  ) 3.50 0.50 1.50 
assign (resid   40 and  name HD*  )(resid   70 and  name HA   ) 3.50 0.50 1.50 
assign (resid   49 and  name HN   )(resid    3 and  name HH2  ) 3.50 0.50 1.20 
assign (resid   62 and  name HN   )(resid   66 and  name HD*  ) 4.00 0.30 2.00 
assign (resid   66 and  name HD*  )(resid   66 and  name HB*  ) 2.50 0.50 1.50 
assign (resid   66 and  name HD*  )(resid   62 and  name HA   ) 3.00 0.50 1.00 
assign (resid   66 and  name HD*  )(resid   43 and  name HB*  ) 2.50 0.50 1.50 
assign (resid   66 and  name HD*  )(resid   48 and  name HA   ) 3.00 0.50 1.00 
assign (resid   66 and  name HD*  )(resid   47 and  name HB   ) 3.50 0.30 2.00 
assign (resid   66 and  name HD*  )(resid   47 and  name HA   ) 4.30 0.50 2.00 
assign (resid   72 and  name HN   )(resid   83 and  name HE*  ) 4.50 0.50 2.00 
assign (resid   73 and  name HN   )(resid   83 and  name HD*  ) 4.00 0.50 1.50 
assign (resid   73 and  name HN   )(resid   83 and  name HE*  ) 4.30 0.50 1.50 
assign (resid   83 and  name HD*  )(resid   37 and  name HA   ) 3.50 0.50 4.50 
assign (resid   83 and  name HD*  )(resid   40 and  name HD*  ) 4.50 0.20 4.00 
assign (resid   83 and  name HD*  )(resid   39 and  name HA   ) 4.30 0.30 3.00 
assign (resid   83 and  name HD*  )(resid   82 and  name HA   ) 3.50 0.50 1.50 
assign (resid   84 and  name HN   )(resid   83 and  name HE*  ) 4.00 0.30 2.00 
assign (resid   95 and  name HN   )(resid  103 and  name HD2  ) 3.50 0.50 1.50 
assign (resid  100 and  name HN   )(resid  100 and  name HD*  ) 3.00 0.50 1.50 
assign (resid  100 and  name HD*  )(resid    3 and  name HA   ) 3.50 0.50 1.50 
assign (resid  103 and  name HD2  )(resid   95 and  name HA   ) 3.50 0.50 1.50 
assign (resid  104 and  name HE*  )(resid   95 and  name HA   ) 3.50 0.50 3.50 
remarks Group 8: HNi/HAi-1 
assign (resid    2 and  name HN   )(resid    1 and  name HA   ) 3.00 0.50 0.50 
assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 3.00 0.50 0.50 
assign (resid    4 and  name HN   )(resid    3 and  name HA   ) 3.50 0.50 1.00 
assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 3.50 0.50 1.00 
assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 3.50 0.50 1.00 
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 3.50 0.50 1.00 
assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 3.50 0.50 1.00 
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 3.50 0.50 1.00 
assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 3.50 0.50 1.00 
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 3.50 0.50 1.00 
assign (resid   12 and  name HN   )(resid   11 and  name HA   ) 2.50 0.50 0.30 
assign (resid   13 and  name HN   )(resid   12 and  name HA   ) 3.00 0.50 0.50 
assign (resid   14 and  name HN   )(resid   13 and  name HA   ) 3.00 0.50 0.50 
assign (resid   16 and  name HN   )(resid   15 and  name HA   ) 3.00 0.50 0.50 
assign (resid   17 and  name HN   )(resid   16 and  name HA   ) 2.50 0.50 0.30 
assign (resid   18 and  name HN   )(resid   17 and  name HA   ) 2.50 0.50 0.30 
assign (resid   19 and  name HN   )(resid   18 and  name HA   ) 2.50 0.50 0.30 
assign (resid   20 and  name HN   )(resid   19 and  name HA   ) 3.00 0.50 0.50 
assign (resid   21 and  name HN   )(resid   20 and  name HA   ) 3.50 0.50 1.00 
assign (resid   22 and  name HN   )(resid   21 and  name HA   ) 3.50 0.50 1.00 
assign (resid   23 and  name HN   )(resid   22 and  name HA   ) 3.50 0.50 1.00 
assign (resid   24 and  name HN   )(resid   23 and  name HA   ) 3.50 1.50 1.50 
assign (resid   25 and  name HN   )(resid   24 and  name HA   ) 3.00 0.50 0.50 
assign (resid   26 and  name HN   )(resid   25 and  name HA   ) 2.50 0.50 0.30 
assign (resid   27 and  name HN   )(resid   26 and  name HA   ) 3.50 0.50 0.50 
assign (resid   28 and  name HN   )(resid   27 and  name HA   ) 3.50 0.50 0.50 
assign (resid   29 and  name HN   )(resid   28 and  name HA   ) 3.50 0.50 0.50 
assign (resid   30 and  name HN   )(resid   29 and  name HA   ) 2.50 0.50 0.30 
assign (resid   31 and  name HN   )(resid   30 and  name HA   ) 2.50 0.50 0.30 
assign (resid   32 and  name HN   )(resid   31 and  name HA*  ) 3.50 0.50 0.50 
assign (resid   33 and  name HN   )(resid   32 and  name HA*  ) 3.50 0.50 0.50 
assign (resid   34 and  name HN   )(resid   33 and  name HA   ) 3.50 1.50 1.50 
assign (resid   35 and  name HN   )(resid   34 and  name HA   ) 3.50 1.50 1.50 
assign (resid   36 and  name HN   )(resid   35 and  name HA   ) 2.50 0.50 0.30 
assign (resid   37 and  name HN   )(resid   36 and  name HA   ) 3.00 0.50 0.50 
assign (resid   38 and  name HN   )(resid   37 and  name HA   ) 2.50 0.50 0.30 
assign (resid   39 and  name HN   )(resid   38 and  name HA   ) 3.50 1.50 1.50 
assign (resid   40 and  name HN   )(resid   39 and  name HA   ) 2.50 0.50 0.30 
assign (resid   41 and  name HN   )(resid   40 and  name HA   ) 3.50 1.50 1.50 
assign (resid   42 and  name HN   )(resid   41 and  name HA   ) 2.50 0.50 0.30 
assign (resid   43 and  name HN   )(resid   42 and  name HA   ) 2.50 0.50 0.30 
assign (resid   44 and  name HN   )(resid   43 and  name HA   ) 3.50 1.50 1.50 
assign (resid   45 and  name HN   )(resid   44 and  name HA   ) 3.50 1.50 1.50 
assign (resid   46 and  name HN   )(resid   45 and  name HA   ) 3.50 1.50 1.50 
assign (resid   47 and  name HN   )(resid   46 and  name HA   ) 3.50 1.50 1.50 
assign (resid   48 and  name HN   )(resid   47 and  name HA   ) 3.50 1.50 1.50 
assign (resid   49 and  name HN   )(resid   48 and  name HA   ) 3.00 0.50 0.50 
assign (resid   50 and  name HN   )(resid   49 and  name HA   ) 3.50 0.50 0.50 
assign (resid   51 and  name HN   )(resid   50 and  name HA   ) 3.50 0.50 1.00 
assign (resid   52 and  name HN   )(resid   51 and  name HA   ) 3.50 0.50 0.50 
assign (resid   53 and  name HN   )(resid   52 and  name HA   ) 3.50 1.50 1.50 
assign (resid   54 and  name HN   )(resid   53 and  name HA   ) 2.50 0.50 0.30 
assign (resid   55 and  name HN   )(resid   54 and  name HA*  ) 3.50 0.50 0.50 
assign (resid   56 and  name HN   )(resid   55 and  name HA   ) 3.50 1.50 1.50 
assign (resid   57 and  name HN   )(resid   56 and  name HA   ) 3.50 0.50 0.50 
assign (resid   58 and  name HN   )(resid   57 and  name HA   ) 2.50 0.50 0.30 
assign (resid   59 and  name HN   )(resid   58 and  name HA   ) 3.50 1.50 1.50 
assign (resid   60 and  name HN   )(resid   59 and  name HA   ) 2.50 0.50 0.30 
assign (resid   61 and  name HN   )(resid   60 and  name HA   ) 2.50 0.50 0.30 
assign (resid   62 and  name HN   )(resid   61 and  name HA   ) 2.50 0.50 0.30 
assign (resid   63 and  name HN   )(resid   62 and  name HA   ) 3.00 0.50 0.50 
assign (resid   64 and  name HN   )(resid   63 and  name HA   ) 3.50 1.50 1.50 
assign (resid   65 and  name HN   )(resid   64 and  name HA   ) 3.50 1.50 1.50 
assign (resid   66 and  name HN   )(resid   65 and  name HA   ) 2.50 0.50 0.30 
assign (resid   67 and  name HN   )(resid   66 and  name HA   ) 3.50 1.50 1.50 
assign (resid   68 and  name HN   )(resid   67 and  name HA   ) 3.50 1.50 1.50 
assign (resid   69 and  name HN   )(resid   68 and  name HA   ) 2.50 0.50 0.30 
assign (resid   70 and  name HN   )(resid   69 and  name HA   ) 2.50 0.50 0.30 
assign (resid   71 and  name HN   )(resid   70 and  name HA   ) 2.50 0.50 0.30 
assign (resid   72 and  name HN   )(resid   71 and  name HA   ) 2.50 0.50 0.30 
assign (resid   73 and  name HN   )(resid   72 and  name HA   ) 2.50 0.50 0.30 
assign (resid   74 and  name HN   )(resid   73 and  name HA   ) 2.50 0.50 0.30 
assign (resid   75 and  name HN   )(resid   74 and  name HA   ) 3.50 0.50 0.50 
assign (resid   76 and  name HN   )(resid   75 and  name HA   ) 2.50 0.50 0.30 
assign (resid   77 and  name HN   )(resid   76 and  name HA   ) 3.50 1.50 1.50 
assign (resid   79 and  name HN   )(resid   78 and  name HA   ) 3.50 1.50 1.50 
assign (resid   81 and  name HN   )(resid   80 and  name HA   ) 3.50 1.50 1.50 
assign (resid   83 and  name HN   )(resid   82 and  name HA   ) 2.50 0.50 0.30 
assign (resid   84 and  name HN   )(resid   83 and  name HA   ) 2.50 0.50 0.30 
assign (resid   85 and  name HN   )(resid   84 and  name HA   ) 3.50 1.50 1.50 
assign (resid   86 and  name HN   )(resid   85 and  name HA   ) 2.50 0.50 0.30 
assign (resid   87 and  name HN   )(resid   86 and  name HA   ) 2.50 0.50 0.30 
assign (resid   88 and  name HN   )(resid   87 and  name HA   ) 2.50 0.50 0.30 
assign (resid   89 and  name HN   )(resid   88 and  name HA   ) 3.50 1.50 1.50 
assign (resid   90 and  name HN   )(resid   89 and  name HA   ) 3.50 1.50 1.50 
assign (resid   91 and  name HN   )(resid   90 and  name HA   ) 2.50 0.50 0.30 
assign (resid   92 and  name HN   )(resid   91 and  name HA   ) 3.50 1.50 1.50 
assign (resid   93 and  name HN   )(resid   92 and  name HA   ) 2.50 0.50 0.30 
assign (resid   94 and  name HN   )(resid   93 and  name HA   ) 2.50 0.50 0.30 
assign (resid   95 and  name HN   )(resid   94 and  name HA   ) 3.50 1.50 1.50 
assign (resid   96 and  name HN   )(resid   95 and  name HA   ) 3.00 0.50 0.50 
assign (resid   97 and  name HN   )(resid   96 and  name HA   ) 2.50 0.50 0.30 
assign (resid   98 and  name HN   )(resid   97 and  name HA   ) 3.00 0.50 1.00 
assign (resid   99 and  name HN   )(resid   98 and  name HA   ) 3.00 0.50 0.50 
assign (resid  100 and  name HN   )(resid   99 and  name HA   ) 3.50 0.50 0.50 
assign (resid  102 and  name HN   )(resid  101 and  name HA   ) 2.50 0.50 0.30 
assign (resid  103 and  name HN   )(resid  102 and  name HA   ) 3.50 1.50 1.50 
assign (resid  104 and  name HN   )(resid  103 and  name HA   ) 3.00 0.50 1.00 
assign (resid  105 and  name HN   )(resid  104 and  name HA   ) 2.50 0.50 0.30 
assign (resid  106 and  name HN   )(resid  105 and  name HA   ) 3.50 1.50 1.50 
assign (resid  107 and  name HN   )(resid  106 and  name HA*  ) 3.50 1.50 1.50 
assign (resid  108 and  name HN   )(resid  107 and  name HA   ) 3.50 1.50 1.50 
assign (resid  109 and  name HN   )(resid  108 and  name HA*  ) 3.50 1.50 1.50 
assign (resid  110 and  name HN   )(resid  109 and  name HA   ) 2.50 0.50 0.30 
remarks Group 9: HNi/HBi-1 
assign (resid    3 and  name HN   )(resid    2 and  name HB*  ) 4.00 0.50 1.50 
assign (resid    4 and  name HN   )(resid    3 and  name HB*  ) 3.50 0.50 1.00 
assign (resid    5 and  name HN   )(resid    4 and  name HB*  ) 3.00 0.50 2.00 
assign (resid    6 and  name HN   )(resid    5 and  name HB   ) 3.50 0.50 1.00 
assign (resid    7 and  name HN   )(resid    6 and  name HB1  ) 3.50 0.50 0.50 
assign (resid    7 and  name HN   )(resid    6 and  name HB2  ) 4.00 0.50 1.00 
assign (resid    8 and  name HN   )(resid    7 and  name HB*  ) 3.50 0.50 1.00 
assign (resid    9 and  name HN   )(resid    8 and  name HB*  ) 3.50 0.50 1.00 
assign (resid   10 and  name HN   )(resid    9 and  name HB*  ) 3.50 0.50 1.00 
assign (resid   11 and  name HN   )(resid   10 and  name HB1  ) 4.20 0.50 1.00 
assign (resid   11 and  name HN   )(resid   10 and  name HB2  ) 3.50 0.50 0.50 
assign (resid   14 and  name HN   )(resid   13 and  name HB*  ) 4.50 0.50 2.00 
assign (resid   18 and  name HN   )(resid   17 and  name HB   ) 3.50 0.50 1.00 
assign (resid   19 and  name HN   )(resid   18 and  name HB2  ) 4.50 0.50 1.50 
assign (resid   19 and  name HN   )(resid   18 and  name HB1  ) 4.30 0.50 1.00 
assign (resid   20 and  name HN   )(resid   19 and  name HB*  ) 4.30 0.50 1.00 
assign (resid   21 and  name HN   )(resid   20 and  name HB*  ) 3.50 0.50 1.50 
assign (resid   22 and  name HN   )(resid   21 and  name HB   ) 4.00 0.50 1.00 
assign (resid   23 and  name HN   )(resid   22 and  name HB   ) 4.00 0.30 1.00 
assign (resid   25 and  name HN   )(resid   24 and  name HB2  ) 4.30 0.50 1.00 
assign (resid   25 and  name HN   )(resid   24 and  name HB1  ) 4.30 0.50 1.00 
assign (resid   26 and  name HN   )(resid   25 and  name HB*  ) 4.00 0.30 1.50 
assign (resid   27 and  name HN   )(resid   26 and  name HB*  ) 3.80 0.50 1.00 
assign (resid   28 and  name HN   )(resid   27 and  name HB*  ) 4.30 0.50 1.00 
assign (resid   29 and  name HN   )(resid   28 and  name HB*  ) 4.50 0.50 2.00 
assign (resid   30 and  name HN   )(resid   29 and  name HB   ) 4.30 0.50 1.00 
assign (resid   31 and  name HN   )(resid   30 and  name HB   ) 4.30 0.50 1.00 
assign (resid   37 and  name HN   )(resid   36 and  name HB*  ) 3.80 0.50 1.00 
assign (resid   38 and  name HN   )(resid   37 and  name HB   ) 4.50 0.50 2.00 
assign (resid   39 and  name HN   )(resid   38 and  name HB*  ) 3.80 0.50 1.00 
assign (resid   41 and  name HN   )(resid   40 and  name HB2  ) 3.80 0.50 0.70 
assign (resid   41 and  name HN   )(resid   40 and  name HB1  ) 3.50 0.50 0.50 
assign (resid   42 and  name HN   )(resid   41 and  name HB   ) 4.50 0.50 1.00 
assign (resid   43 and  name HN   )(resid   42 and  name HB*  ) 4.50 0.50 2.00 
assign (resid   44 and  name HN   )(resid   43 and  name HB*  ) 4.50 0.50 2.00 
assign (resid   45 and  name HN   )(resid   44 and  name HB*  ) 4.30 0.50 1.00 
assign (resid   46 and  name HN   )(resid   45 and  name HB*  ) 3.00 0.50 2.00 
assign (resid   47 and  name HN   )(resid   46 and  name HB   ) 3.50 0.50 1.00 
assign (resid   48 and  name HN   )(resid   47 and  name HB   ) 3.50 0.50 1.00 
assign (resid   49 and  name HN   )(resid   48 and  name HB   ) 3.00 0.50 1.00 
assign (resid   50 and  name HN   )(resid   49 and  name HB*  ) 4.00 0.50 1.50 
assign (resid   51 and  name HN   )(resid   50 and  name HB*  ) 4.00 0.50 2.00 
assign (resid   52 and  name HN   )(resid   51 and  name HB   ) 3.80 0.50 1.00 
assign (resid   53 and  name HN   )(resid   52 and  name HB*  ) 4.50 0.50 2.00 
assign (resid   54 and  name HN   )(resid   53 and  name HB   ) 4.50 0.50 2.00 
assign (resid   56 and  name HN   )(resid   55 and  name HB   ) 4.50 0.50 2.50 
assign (resid   58 and  name HN   )(resid   57 and  name HB2  ) 3.80 0.50 0.70 
assign (resid   58 and  name HN   )(resid   57 and  name HB1  ) 3.50 0.50 0.50 
assign (resid   60 and  name HN   )(resid   59 and  name HB*  ) 4.00 0.50 1.50 
assign (resid   61 and  name HN   )(resid   60 and  name HB   ) 3.50 0.50 1.00 
assign (resid   62 and  name HN   )(resid   61 and  name HB*  ) 3.50 0.50 1.00 
assign (resid   63 and  name HN   )(resid   62 and  name HB*  ) 3.50 0.50 1.00 
assign (resid   67 and  name HN   )(resid   66 and  name HB*  ) 3.50 0.50 1.50 
assign (resid   68 and  name HN   )(resid   67 and  name HB*  ) 3.50 0.50 1.00 
assign (resid   69 and  name HN   )(resid   68 and  name HB*  ) 3.50 0.50 1.00 
assign (resid   70 and  name HN   )(resid   69 and  name HB1  ) 4.30 0.50 1.00 
assign (resid   70 and  name HN   )(resid   69 and  name HB2  ) 4.50 0.30 1.50 
assign (resid   71 and  name HN   )(resid   70 and  name HB   ) 4.00 0.50 1.00 
assign (resid   72 and  name HN   )(resid   71 and  name HB*  ) 4.00 0.50 1.00 
assign (resid   73 and  name HN   )(resid   72 and  name HB   ) 4.30 0.50 1.00 
assign (resid   74 and  name HN   )(resid   73 and  name HB*  ) 4.50 0.50 1.00 
assign (resid   76 and  name HN   )(resid   75 and  name HB*  ) 3.50 0.50 1.00 
assign (resid   83 and  name HN   )(resid   82 and  name HB*  ) 4.00 0.50 1.00 
assign (resid   84 and  name HN   )(resid   83 and  name HB1  ) 3.80 0.50 0.50 
assign (resid   84 and  name HN   )(resid   83 and  name HB2  ) 4.00 0.50 0.50 
assign (resid   85 and  name HN   )(resid   84 and  name HB*  ) 4.00 0.50 1.00 
assign (resid   86 and  name HN   )(resid   85 and  name HB*  ) 3.80 0.50 1.50 
assign (resid   87 and  name HN   )(resid   86 and  name HB*  ) 4.00 0.50 1.00 
assign (resid   88 and  name HN   )(resid   87 and  name HB   ) 3.50 0.50 1.00 
assign (resid   91 and  name HN   )(resid   90 and  name HB*  ) 4.00 0.30 1.50 
assign (resid   94 and  name HN   )(resid   93 and  name HB1  ) 4.20 0.50 1.00 
assign (resid   94 and  name HN   )(resid   93 and  name HB2  ) 4.00 0.50 0.50 
assign (resid   97 and  name HN   )(resid   96 and  name HB2  ) 4.00 0.50 0.80 
assign (resid   97 and  name HN   )(resid   96 and  name HB1  ) 3.80 0.50 0.50 
assign (resid   98 and  name HN   )(resid   97 and  name HB*  ) 4.00 0.50 1.00 
assign (resid   99 and  name HN   )(resid   98 and  name HB*  ) 4.50 0.50 2.00 
assign (resid  100 and  name HN   )(resid   99 and  name HB*  ) 3.50 0.50 1.00 
assign (resid  104 and  name HN   )(resid  103 and  name HB*  ) 3.80 0.30 1.50 
assign (resid  105 and  name HN   )(resid  104 and  name HB*  ) 4.00 0.50 1.00 
assign (resid  106 and  name HN   )(resid  105 and  name HB*  ) 3.80 0.50 2.00 
assign (resid  110 and  name HN   )(resid  109 and  name HB*  ) 3.50 0.50 1.00 
remarks Group 10: intraresidues restraints     
assign (resid    3 and  name HN   )(resid    3 and  name HA   ) 3.20 0.50 0.50 
assign (resid    3 and  name HN   )(resid    3 and  name HB*  ) 3.30 0.50 0.50 
assign (resid    4 and  name HN   )(resid    4 and  name HA   ) 3.20 0.50 0.50 
assign (resid    4 and  name HN   )(resid    4 and  name HB*  ) 3.00 0.50 1.00 
assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 3.20 0.50 0.50 
assign (resid    5 and  name HN   )(resid    5 and  name HB   ) 3.20 0.50 0.50 
assign (resid    5 and  name HN   )(resid    5 and  name HG2* ) 3.80 0.50 1.00 
assign (resid    6 and  name HN   )(resid    6 and  name HA   ) 3.20 0.50 0.50 
assign (resid    6 and  name HN   )(resid    6 and  name HB1  ) 3.00 0.50 0.50 
assign (resid    6 and  name HN   )(resid    6 and  name HB2  ) 3.00 0.50 0.50 
assign (resid    7 and  name HN   )(resid    7 and  name HA   ) 3.20 0.50 0.50 
assign (resid    7 and  name HN   )(resid    7 and  name HB*  ) 3.20 0.50 0.50 
assign (resid    7 and  name HN   )(resid    7 and  name HG*  ) 3.50 0.50 1.00 
assign (resid    8 and  name HN   )(resid    8 and  name HA   ) 3.00 0.50 0.50 
assign (resid    8 and  name HN   )(resid    8 and  name HB*  ) 3.00 0.50 0.50 
assign (resid    8 and  name HN   )(resid    8 and  name HG*  ) 4.00 0.50 1.50 
assign (resid    9 and  name HN   )(resid    9 and  name HA   ) 3.20 0.50 0.50 
assign (resid    9 and  name HN   )(resid    9 and  name HB*  ) 3.20 0.50 0.50 
assign (resid   10 and  name HN   )(resid   10 and  name HB1  ) 3.80 0.50 0.50 
assign (resid   10 and  name HN   )(resid   10 and  name HB2  ) 3.20 0.50 0.50 
assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 3.40 0.50 0.50 
assign (resid   12 and  name HN   )(resid   12 and  name HA   ) 3.40 0.50 0.50 
assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 3.50 0.50 0.50 
assign (resid   13 and  name HN   )(resid   13 and  name HB*  ) 3.20 0.50 0.50 
assign (resid   14 and  name HN   )(resid   14 and  name HA   ) 3.60 0.50 0.50 
assign (resid   14 and  name HN   )(resid   14 and  name HB*  ) 4.00 0.50 0.50 
assign (resid   14 and  name HN   )(resid   14 and  name HG2* ) 3.20 0.50 1.00 
assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 3.70 0.50 1.00 
assign (resid   17 and  name HN   )(resid   17 and  name HB   ) 3.60 0.50 0.50 
assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 3.80 0.50 0.50 
assign (resid   18 and  name HN   )(resid   18 and  name HB2  ) 3.30 0.50 0.50 
assign (resid   18 and  name HN   )(resid   18 and  name HB1  ) 3.80 0.50 0.50 
assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 3.70 0.50 1.00 
assign (resid   19 and  name HN   )(resid   19 and  name HB*  ) 3.70 0.50 1.00 
assign (resid   20 and  name HN   )(resid   20 and  name HA   ) 3.70 0.50 1.00 
assign (resid   20 and  name HN   )(resid   20 and  name HB*  ) 3.70 0.50 1.00 
assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 3.20 0.50 0.50 
assign (resid   21 and  name HN   )(resid   21 and  name HB   ) 3.20 0.50 0.50 
assign (resid   21 and  name HN   )(resid   21 and  name HG2* ) 3.70 0.50 1.00 
assign (resid   21 and  name HA   )(resid   21 and  name HB   ) 3.20 0.50 0.50 
assign (resid   22 and  name HN   )(resid   22 and  name HA   ) 3.20 0.50 0.50 
assign (resid   24 and  name HN   )(resid   24 and  name HA   ) 3.70 0.50 1.00 
assign (resid   25 and  name HN   )(resid   25 and  name HB*  ) 3.50 0.50 0.80 
assign (resid   26 and  name HN   )(resid   26 and  name HA   ) 3.70 0.50 1.00 
assign (resid   26 and  name HN   )(resid   26 and  name HB*  ) 3.20 0.50 0.50 
assign (resid   28 and  name HN   )(resid   28 and  name HA   ) 3.50 0.50 0.50 
assign (resid   28 and  name HN   )(resid   28 and  name HB1  ) 4.00 0.50 0.50 
assign (resid   28 and  name HN   )(resid   28 and  name HB2  ) 3.50 0.50 0.50 
assign (resid   29 and  name HN   )(resid   29 and  name HA   ) 3.80 0.50 0.50 
assign (resid   29 and  name HN   )(resid   29 and  name HB   ) 3.20 0.50 0.50 
assign (resid   30 and  name HN   )(resid   30 and  name HA   ) 4.00 0.50 0.50 
assign (resid   30 and  name HN   )(resid   30 and  name HB   ) 3.20 0.50 0.50 
assign (resid   33 and  name HN   )(resid   33 and  name HA   ) 3.70 0.50 1.00 
assign (resid   33 and  name HN   )(resid   33 and  name HB*  ) 3.70 0.50 1.00 
assign (resid   33 and  name HN   )(resid   33 and  name HG*  ) 3.70 0.50 1.00 
assign (resid   35 and  name HN   )(resid   35 and  name HA   ) 3.50 0.50 0.50 
assign (resid   36 and  name HN   )(resid   36 and  name HA   ) 3.70 0.50 1.00 
assign (resid   37 and  name HN   )(resid   37 and  name HA   ) 3.70 0.50 1.00 
assign (resid   37 and  name HN   )(resid   37 and  name HB   ) 3.00 0.50 0.50 
assign (resid   37 and  name HN   )(resid   37 and  name HG*  ) 4.00 0.50 1.50 
assign (resid   37 and  name HA   )(resid   37 and  name HB   ) 3.20 0.50 0.50 
assign (resid   37 and  name HA   )(resid   37 and  name HG*  ) 3.20 0.50 1.50 
assign (resid   38 and  name HN   )(resid   38 and  name HA   ) 3.20 0.50 0.50 
assign (resid   38 and  name HN   )(resid   38 and  name HB*  ) 3.70 0.50 1.00 
assign (resid   40 and  name HN   )(resid   40 and  name HA   ) 3.70 0.50 1.00 
assign (resid   40 and  name HN   )(resid   40 and  name HB2  ) 3.00 0.50 0.50 
assign (resid   40 and  name HN   )(resid   40 and  name HB1  ) 3.00 0.50 0.50 
assign (resid   40 and  name HN   )(resid   40 and  name HD*  ) 4.00 0.30 1.50 
assign (resid   41 and  name HN   )(resid   41 and  name HA   ) 3.70 0.50 1.00 
assign (resid   42 and  name HN   )(resid   42 and  name HA   ) 3.70 0.50 1.00 
assign (resid   42 and  name HN   )(resid   42 and  name HB   ) 3.50 0.50 0.50 
assign (resid   43 and  name HN   )(resid   43 and  name HB*  ) 3.70 0.50 1.00 
assign (resid   44 and  name HN   )(resid   44 and  name HB*  ) 3.70 0.50 1.00 
assign (resid   45 and  name HN   )(resid   45 and  name HB*  ) 3.20 0.50 1.00 
assign (resid   46 and  name HN   )(resid   46 and  name HA   ) 3.20 0.50 0.50 
assign (resid   46 and  name HN   )(resid   46 and  name HB   ) 3.20 0.50 0.50 
assign (resid   46 and  name HN   )(resid   46 and  name HG2* ) 3.20 0.50 1.00 
assign (resid   47 and  name HN   )(resid   47 and  name HA   ) 3.20 0.50 0.50 
assign (resid   47 and  name HN   )(resid   47 and  name HB   ) 3.30 0.50 0.50 
assign (resid   47 and  name HN   )(resid   47 and  name HG2* ) 3.70 0.50 1.00 
assign (resid   48 and  name HN   )(resid   48 and  name HA   ) 3.20 0.50 0.50 
assign (resid   48 and  name HN   )(resid   48 and  name HB   ) 3.20 0.50 0.50 
assign (resid   48 and  name HN   )(resid   48 and  name HG2* ) 3.20 0.50 1.00 
assign (resid   48 and  name HA   )(resid   48 and  name HB   ) 3.70 0.50 1.00 
assign (resid   49 and  name HN   )(resid   49 and  name HA   ) 3.20 0.50 0.50 
assign (resid   50 and  name HN   )(resid   50 and  name HA   ) 3.00 0.50 0.50 
assign (resid   50 and  name HN   )(resid   50 and  name HB*  ) 3.00 0.50 1.00 
assign (resid   51 and  name HN   )(resid   51 and  name HA   ) 3.00 0.50 0.50 
assign (resid   51 and  name HN   )(resid   51 and  name HB   ) 3.00 0.50 0.50 
assign (resid   52 and  name HN   )(resid   52 and  name HA   ) 3.20 0.50 0.50 
assign (resid   52 and  name HN   )(resid   52 and  name HB*  ) 3.20 0.50 0.50 
assign (resid   53 and  name HN   )(resid   53 and  name HG2* ) 3.70 0.50 1.00 
assign (resid   53 and  name HN   )(resid   53 and  name HA   ) 3.50 0.50 1.00 
assign (resid   53 and  name HN   )(resid   53 and  name HB   ) 3.20 0.50 0.50 
assign (resid   55 and  name HN   )(resid   55 and  name HA   ) 3.30 0.50 0.50 
assign (resid   55 and  name HN   )(resid   55 and  name HB   ) 3.20 0.50 0.00 
assign (resid   55 and  name HN   )(resid   55 and  name HG*  ) 3.20 0.50 1.00 
assign (resid   56 and  name HN   )(resid   56 and  name HA   ) 3.70 0.50 1.00 
assign (resid   57 and  name HN   )(resid   57 and  name HA   ) 3.70 0.50 1.00 
assign (resid   57 and  name HN   )(resid   57 and  name HB2  ) 3.60 0.50 0.50 
assign (resid   57 and  name HN   )(resid   57 and  name HB1  ) 3.80 0.50 0.50 
assign (resid   58 and  name HN   )(resid   58 and  name HA   ) 3.70 0.50 1.00 
assign (resid   58 and  name HN   )(resid   58 and  name HB*  ) 3.70 0.50 1.00 
assign (resid   59 and  name HN   )(resid   59 and  name HB*  ) 3.20 0.50 0.50 
assign (resid   60 and  name HN   )(resid   60 and  name HA   ) 3.20 0.50 0.50 
assign (resid   60 and  name HN   )(resid   60 and  name HB   ) 3.00 0.50 0.50 
assign (resid   60 and  name HN   )(resid   60 and  name HG*  ) 3.20 0.50 0.50 
assign (resid   61 and  name HN   )(resid   61 and  name HA   ) 3.20 0.50 0.50 
assign (resid   61 and  name HN   )(resid   61 and  name HB*  ) 3.40 0.50 1.00 
assign (resid   62 and  name HN   )(resid   62 and  name HA   ) 3.50 0.50 0.50 
assign (resid   62 and  name HN   )(resid   62 and  name HB*  ) 3.50 0.50 0.50 
assign (resid   63 and  name HN   )(resid   63 and  name HB   ) 3.70 0.50 1.00 
assign (resid   63 and  name HN   )(resid   63 and  name HG2* ) 4.00 0.50 1.50 
assign (resid   65 and  name HN   )(resid   65 and  name HA   ) 3.40 0.50 1.00 
assign (resid   66 and  name HN   )(resid   66 and  name HA   ) 3.70 0.50 1.00 
assign (resid   66 and  name HN   )(resid   66 and  name HB*  ) 3.20 0.50 0.50 
assign (resid   67 and  name HN   )(resid   67 and  name HB*  ) 3.20 0.50 1.00 
assign (resid   68 and  name HN   )(resid   68 and  name HA   ) 3.20 0.50 0.50 
assign (resid   68 and  name HN   )(resid   68 and  name HD*  ) 3.20 0.50 1.00 
assign (resid   68 and  name HA   )(resid   68 and  name HG   ) 3.70 0.50 1.00 
assign (resid   68 and  name HA   )(resid   68 and  name HD*  ) 3.70 0.50 1.50 
assign (resid   69 and  name HN   )(resid   69 and  name HA   ) 3.50 0.50 0.50 
assign (resid   69 and  name HN   )(resid   69 and  name HB1  ) 3.50 0.50 0.50 
assign (resid   69 and  name HN   )(resid   69 and  name HB2  ) 3.50 0.50 0.50 
assign (resid   70 and  name HN   )(resid   70 and  name HA   ) 4.00 0.50 1.00 
assign (resid   70 and  name HN   )(resid   70 and  name HB   ) 3.20 0.50 0.50 
assign (resid   70 and  name HN   )(resid   70 and  name HG2* ) 4.00 0.50 1.50 
assign (resid   70 and  name HA   )(resid   70 and  name HB   ) 3.70 0.50 1.00 
assign (resid   71 and  name HN   )(resid   71 and  name HA   ) 3.70 0.50 1.00 
assign (resid   71 and  name HN   )(resid   71 and  name HB2  ) 3.20 0.50 0.50 
assign (resid   71 and  name HN   )(resid   71 and  name HB1  ) 3.80 0.50 0.50 
assign (resid   72 and  name HN   )(resid   72 and  name HA   ) 3.50 0.50 0.50 
assign (resid   72 and  name HN   )(resid   72 and  name HB   ) 3.20 0.50 0.50 
assign (resid   72 and  name HN   )(resid   72 and  name HG2* ) 4.00 0.50 1.50 
assign (resid   72 and  name HA   )(resid   72 and  name HB   ) 3.70 0.50 1.00 
assign (resid   72 and  name HA   )(resid   72 and  name HG2* ) 3.20 0.50 1.50 
assign (resid   73 and  name HN   )(resid   73 and  name HA   ) 3.40 0.50 0.50 
assign (resid   74 and  name HN   )(resid   74 and  name HA   ) 3.50 0.50 1.00 
assign (resid   74 and  name HN   )(resid   74 and  name HB   ) 4.00 0.50 1.00 
assign (resid   74 and  name HN   )(resid   74 and  name HG2* ) 3.70 0.50 1.00 
assign (resid   75 and  name HN   )(resid   75 and  name HA   ) 3.70 0.50 1.00 
assign (resid   75 and  name HN   )(resid   75 and  name HB*  ) 3.70 0.50 1.00 
assign (resid   83 and  name HN   )(resid   83 and  name HA   ) 3.70 0.50 1.00 
assign (resid   83 and  name HN   )(resid   83 and  name HB1  ) 3.80 0.50 0.50 
assign (resid   83 and  name HN   )(resid   83 and  name HB2  ) 3.40 0.50 0.50 
assign (resid   84 and  name HN   )(resid   84 and  name HA   ) 4.00 0.50 1.00 
assign (resid   84 and  name HN   )(resid   84 and  name HB*  ) 3.70 0.50 1.00 
assign (resid   85 and  name HN   )(resid   85 and  name HB*  ) 3.40 0.50 0.50 
assign (resid   86 and  name HN   )(resid   86 and  name HA   ) 3.20 0.50 0.50 
assign (resid   87 and  name HN   )(resid   87 and  name HA   ) 3.70 0.50 1.00 
assign (resid   87 and  name HN   )(resid   87 and  name HG2* ) 3.70 0.50 1.00 
assign (resid   87 and  name HA   )(resid   87 and  name HB   ) 3.20 0.50 0.50 
assign (resid   89 and  name HN   )(resid   89 and  name HG2* ) 4.00 0.50 2.00 
assign (resid   89 and  name HA   )(resid   89 and  name HB   ) 4.00 0.50 1.50 
assign (resid   90 and  name HN   )(resid   90 and  name HA   ) 3.70 0.50 1.00 
assign (resid   90 and  name HN   )(resid   90 and  name HB2  ) 3.40 0.50 0.50 
assign (resid   90 and  name HN   )(resid   90 and  name HB1  ) 3.40 0.50 0.50 
assign (resid   91 and  name HN   )(resid   91 and  name HB*  ) 3.20 0.50 0.50 
assign (resid   93 and  name HN   )(resid   93 and  name HA   ) 3.40 0.50 0.50 
assign (resid   93 and  name HN   )(resid   93 and  name HB1  ) 3.20 0.50 0.50 
assign (resid   93 and  name HN   )(resid   93 and  name HB2  ) 3.20 0.50 0.50 
assign (resid   94 and  name HN   )(resid   94 and  name HB   ) 3.50 0.50 0.50 
assign (resid   94 and  name HA   )(resid   94 and  name HB   ) 3.00 0.50 0.50 
assign (resid   96 and  name HN   )(resid   96 and  name HA   ) 3.50 0.50 0.50 
assign (resid   96 and  name HN   )(resid   96 and  name HB2  ) 3.00 0.50 0.50 
assign (resid   96 and  name HN   )(resid   96 and  name HB1  ) 3.60 0.50 0.50 
assign (resid   97 and  name HA   )(resid   97 and  name HG*  ) 3.20 0.50 0.50 
assign (resid   97 and  name HN   )(resid   97 and  name HA   ) 3.50 0.50 0.50 
assign (resid   98 and  name HN   )(resid   98 and  name HA   ) 3.20 0.50 0.50 
assign (resid   98 and  name HN   )(resid   98 and  name HB*  ) 4.00 0.50 1.50 
assign (resid   99 and  name HN   )(resid   99 and  name HA   ) 3.00 0.50 1.00 
assign (resid   99 and  name HN   )(resid   99 and  name HB*  ) 3.70 0.50 1.00 
assign (resid   99 and  name HN   )(resid   99 and  name HG*  ) 4.00 0.50 1.00 
assign (resid  100 and  name HN   )(resid  100 and  name HA   ) 3.70 0.50 1.00 
assign (resid  100 and  name HN   )(resid  100 and  name HB*  ) 3.00 0.50 1.00 
assign (resid  103 and  name HN   )(resid  103 and  name HA   ) 3.50 0.50 0.50 
assign (resid  103 and  name HN   )(resid  103 and  name HB*  ) 3.50 0.50 1.00 
assign (resid  104 and  name HN   )(resid  104 and  name HA   ) 4.00 0.50 0.50 
assign (resid  104 and  name HN   )(resid  104 and  name HB*  ) 3.70 0.50 0.50 
assign (resid  105 and  name HN   )(resid  105 and  name HB*  ) 3.20 0.50 1.00 
assign (resid  109 and  name HN   )(resid  109 and  name HA   ) 3.20 0.50 0.50 
assign (resid  110 and  name HN   )(resid  110 and  name HB*  ) 3.20 0.50 0.50 
remarks Group 10a: from backcal restraints     
assign (resid    4 and  name HN   )(resid    2 and  name HB*  ) 4.00 0.30 1.00 
assign (resid    6 and  name HN   )(resid    4 and  name HA   ) 4.00 0.30 1.00 
assign (resid   28 and  name HN   )(resid   26 and  name HN   ) 4.00 0.50 1.00 
assign (resid    5 and  name HN   )(resid    2 and  name HB*  ) 4.00 0.30 1.00 
assign (resid    3 and  name HN   )(resid  100 and  name HE*  ) 4.30 0.30 2.00 
assign (resid    3 and  name HE1  )(resid   49 and  name HA   ) 4.30 0.30 2.00 
assign (resid    7 and  name HN   )(resid    3 and  name HE3  ) 4.30 0.30 2.00 
assign (resid    6 and  name HE*  )(resid  104 and  name HN   ) 4.00 0.50 1.50 
assign (resid   16 and  name HN   )(resid   14 and  name HA   ) 4.00 0.50 1.00 
assign (resid   32 and  name HN   )(resid   30 and  name HG*  ) 4.50 0.30 2.00 
assign (resid   33 and  name HN   )(resid   30 and  name HG*  ) 4.50 0.30 2.00 
assign (resid   47 and  name HN   )(resid   44 and  name HB*  ) 3.80 0.30 2.00 
assign (resid   55 and  name HN   )(resid   53 and  name HG2* ) 4.00 0.30 2.00 
assign (resid   55 and  name HN   )(resid   96 and  name HB*  ) 4.00 0.20 3.00 
assign (resid   97 and  name HN   )(resid  103 and  name HD2  ) 4.30 0.30 2.00 
remarks Group 11a: hydrogen bond (first b-sheet)  
assign (resid   38 and  name HN   )(resid   71 and  name O    ) 2.10 0.20 0.20 
assign (resid   40 and  name HN   )(resid   69 and  name O    ) 2.10 0.20 0.20 
assign (resid   42 and  name HN   )(resid   67 and  name O    ) 2.10 0.20 0.20 
assign (resid   68 and  name HN   )(resid   88 and  name O    ) 2.10 0.20 0.20 
assign (resid   69 and  name HN   )(resid   40 and  name O    ) 2.10 0.20 0.20 
assign (resid   70 and  name HN   )(resid   86 and  name O    ) 2.10 0.20 0.20 
assign (resid   71 and  name HN   )(resid   38 and  name O    ) 2.10 0.20 0.20 
assign (resid   72 and  name HN   )(resid   84 and  name O    ) 2.10 0.20 0.20 
assign (resid   73 and  name HN   )(resid   36 and  name O    ) 2.10 0.20 0.20 
assign (resid   74 and  name HN   )(resid   82 and  name O    ) 2.10 0.20 0.20 
assign (resid   84 and  name HN   )(resid   72 and  name O    ) 2.10 0.20 0.20 
assign (resid   86 and  name HN   )(resid   70 and  name O    ) 2.10 0.20 0.20 
assign (resid   88 and  name HN   )(resid   68 and  name O    ) 2.10 0.20 0.20 
assign (resid   38 and  name N    )(resid   71 and  name O    ) 3.00 0.30 0.30 
assign (resid   40 and  name N    )(resid   69 and  name O    ) 3.00 0.30 0.30 
assign (resid   42 and  name N    )(resid   67 and  name O    ) 3.00 0.30 0.30 
assign (resid   68 and  name N    )(resid   88 and  name O    ) 3.00 0.30 0.30 
assign (resid   69 and  name N    )(resid   40 and  name O    ) 3.00 0.30 0.30 
assign (resid   70 and  name N    )(resid   86 and  name O    ) 3.00 0.30 0.30 
assign (resid   71 and  name N    )(resid   38 and  name O    ) 3.00 0.30 0.30 
assign (resid   72 and  name N    )(resid   84 and  name O    ) 3.00 0.30 0.30 
assign (resid   73 and  name N    )(resid   36 and  name O    ) 3.00 0.30 0.30 
assign (resid   74 and  name N    )(resid   82 and  name O    ) 3.00 0.30 0.30 
assign (resid   84 and  name N    )(resid   72 and  name O    ) 3.00 0.30 0.30 
assign (resid   86 and  name N    )(resid   70 and  name O    ) 3.00 0.30 0.30 
assign (resid   88 and  name N    )(resid   68 and  name O    ) 3.00 0.30 0.30 
remarks Group 11b: hydrogen bond (second b-sheet)  
assign (resid   58 and  name HN   )(resid   96 and  name O    ) 2.10 0.20 0.20 
assign (resid   60 and  name HN   )(resid   94 and  name O    ) 2.10 0.20 0.20 
assign (resid   62 and  name HN   )(resid   92 and  name O    ) 2.10 0.20 0.20 
assign (resid   92 and  name HN   )(resid   62 and  name O    ) 2.10 0.20 0.20 
assign (resid   93 and  name HN   )(resid  106 and  name O    ) 2.10 0.20 0.20! 
assign (resid   94 and  name HN   )(resid   60 and  name O    ) 2.10 0.20 0.20 
assign (resid   95 and  name HN   )(resid  103 and  name O    ) 2.10 0.20 0.20! 
assign (resid   96 and  name HN   )(resid   58 and  name O    ) 2.10 0.20 0.20 
assign (resid  100 and  name HN   )(resid   97 and  name O    ) 2.10 0.20 0.20 
assign (resid  102 and  name HN   )(resid   95 and  name O    ) 2.10 0.20 0.20 
assign (resid  105 and  name HN   )(resid   93 and  name O    ) 2.10 0.20 0.20! 
assign (resid  106 and  name HN   )(resid   93 and  name O    ) 2.10 0.20 0.20! 
assign (resid   58 and  name N    )(resid   96 and  name O    ) 3.00 0.30 0.30 
assign (resid   60 and  name N    )(resid   94 and  name O    ) 3.00 0.30 0.30 
assign (resid   62 and  name N    )(resid   92 and  name O    ) 3.00 0.30 0.30 
assign (resid   92 and  name N    )(resid   62 and  name O    ) 3.00 0.30 0.30 
assign (resid   94 and  name N    )(resid   60 and  name O    ) 3.00 0.30 0.30 
assign (resid   96 and  name N    )(resid   58 and  name O    ) 3.00 0.30 0.30 
assign (resid  100 and  name N    )(resid   97 and  name O    ) 3.00 0.30 0.30 
assign (resid  102 and  name N    )(resid   95 and  name O    ) 3.00 0.30 0.30 
assign (resid  105 and  name N    )(resid   93 and  name O    ) 3.00 0.30 0.30 
assign (resid  106 and  name N    )(resid   93 and  name O    ) 3.00 0.30 0.30 
remarks Group 11c: a-helical hydrogen bonds 
assign (resid    2 and  name O    )(resid    6 and  name HN   ) 2.30 0.50 0.20 
assign (resid    3 and  name O    )(resid    7 and  name HN   ) 2.30 0.50 0.20 
assign (resid    4 and  name O    )(resid    8 and  name HN   ) 2.30 0.50 0.20 
assign (resid    5 and  name O    )(resid    9 and  name HN   ) 2.30 0.50 0.20 
assign (resid    6 and  name O    )(resid   10 and  name HN   ) 2.30 0.50 0.20 
assign (resid    7 and  name O    )(resid   11 and  name HN   ) 2.30 0.50 0.20 
assign (resid    8 and  name O    )(resid   12 and  name HN   ) 2.30 0.50 1.00 
!assign (resid    9 and  name O    )(resid   13 and  name HN   ) 2.30 0.50 0.20 
assign (resid    2 and  name O    )(resid    6 and  name N    ) 3.00 0.50 0.30 
assign (resid    3 and  name O    )(resid    7 and  name N    ) 3.00 0.50 0.30 
assign (resid    4 and  name O    )(resid    8 and  name N    ) 3.00 0.50 0.30 
assign (resid    5 and  name O    )(resid    9 and  name N    ) 3.00 0.50 0.30 
assign (resid    6 and  name O    )(resid   10 and  name N    ) 3.00 0.50 0.30 
assign (resid    7 and  name O    )(resid   11 and  name N    ) 3.00 0.50 0.30 
assign (resid    8 and  name O    )(resid   12 and  name N    ) 3.00 0.50 1.00 
!assign (resid    9 and  name O    )(resid   13 and  name N    ) 3.00 0.50 0.30 
assign (resid   44 and  name O    )(resid   48 and  name HN   ) 2.30 0.50 0.20 
assign (resid   44 and  name O    )(resid   48 and  name N    ) 3.00 0.50 0.30 
assign (resid   45 and  name O    )(resid   49 and  name HN   ) 2.30 0.50 0.20 
assign (resid   45 and  name O    )(resid   49 and  name N    ) 3.00 0.50 0.30 
assign (resid   46 and  name O    )(resid   50 and  name HN   ) 2.30 0.50 0.20 
assign (resid   46 and  name O    )(resid   50 and  name N    ) 3.00 0.50 0.30 
assign (resid   47 and  name O    )(resid   51 and  name HN   ) 2.30 0.50 0.20 
assign (resid   47 and  name O    )(resid   51 and  name N    ) 3.00 0.50 0.30 
assign (resid   48 and  name O    )(resid   52 and  name HN   ) 2.30 0.50 0.20 
assign (resid   48 and  name O    )(resid   52 and  name N    ) 3.00 0.50 0.30 
assign (resid   19 and  name O    )(resid   23 and  name HN   ) 2.30 0.50 0.20 
assign (resid   20 and  name O    )(resid   24 and  name HN   ) 2.30 0.50 0.20 
assign (resid   19 and  name O    )(resid   23 and  name N    ) 3.00 0.50 0.30 
assign (resid   20 and  name O    )(resid   24 and  name N    ) 3.00 0.50 0.30 
remarks Group 12: disulfide bond restraints  
assign (resid   19 and  name SG   )(resid   71 and  name SG   ) 2.02 0.06 0.05 
assign (resid   34 and  name SG   )(resid   81 and  name SG   ) 2.02 0.06 0.05 
assign (resid   52 and  name SG   )(resid   96 and  name SG   ) 2.02 0.06 0.05 
assign (resid   93 and  name SG   )(resid  110 and  name SG   ) 2.02 0.06 0.05 
assign (resid   19 and  name CB   )(resid   71 and  name SG   ) 3.05 0.15 0.32 
assign (resid   34 and  name CB   )(resid   81 and  name SG   ) 3.05 0.15 0.32 
assign (resid   52 and  name CB   )(resid   96 and  name SG   ) 3.05 0.15 0.32 
assign (resid   93 and  name CB   )(resid  110 and  name SG   ) 3.05 0.15 0.32 
assign (resid   19 and  name SG   )(resid   71 and  name CB   ) 3.05 0.15 0.32 
assign (resid   34 and  name SG   )(resid   81 and  name CB   ) 3.05 0.15 0.32 
assign (resid   52 and  name SG   )(resid   96 and  name CB   ) 3.05 0.15 0.32 
assign (resid   93 and  name SG   )(resid  110 and  name CB   ) 3.05 0.15 0.32 
assign (resid   19 and  name CB   )(resid   71 and  name CB   ) 3.94 0.50 0.40 
assign (resid   34 and  name CB   )(resid   81 and  name CB   ) 3.94 0.50 0.40 
assign (resid   52 and  name CB   )(resid   96 and  name CB   ) 3.94 0.50 0.40 
assign (resid   93 and  name CB   )(resid  110 and  name CB   ) 3.94 0.50 0.40 
set echo=true end 
set wrnlev=5 end 

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1    HN   PCA   1           HN       PCA   1  -2.107   4.234   4.234
    2    HA   PCA   1           HA       PCA   1  -4.232   3.058   3.058
    3   1HB   PCA   1          1HB       PCA   1  -4.765   3.449   3.449
    4   2HB   PCA   1          2HB       PCA   1  -3.180   2.861   2.861
    5   1HG   PCA   1          1HG       PCA   1  -4.090   5.595   5.595
    6   2HG   PCA   1          2HG       PCA   1  -2.594   5.016   5.016
    7    H    ASN   2           H        ASN   2  -3.740   0.992   0.992
    8    HA   ASN   2           HA       ASN   2  -1.168  -0.267  -0.267
    9   1HB   ASN   2          2HB       ASN   2  -2.431  -0.818  -0.818
   10   2HB   ASN   2          1HB       ASN   2  -3.832  -1.280  -1.280
   11   1HD2  ASN   2          2HD2      ASN   2  -0.625  -3.872  -3.872
   12   2HD2  ASN   2          1HD2      ASN   2  -0.328  -2.205  -2.205
   13    H    TRP   3           H        TRP   3  -0.964  -2.395  -2.395
   14    HA   TRP   3           HA       TRP   3  -1.803  -2.135  -2.135
   15   1HB   TRP   3          2HB       TRP   3   0.145  -3.613  -3.613
   16   2HB   TRP   3          1HB       TRP   3  -0.873  -4.811  -4.811
   17    HD1  TRP   3           HD1      TRP   3   2.142  -3.055  -3.055
   18    HE1  TRP   3           HE1      TRP   3   2.725  -2.859  -2.859
   19    HE3  TRP   3           HE3      TRP   3  -2.428  -4.067  -4.067
   20    HZ2  TRP   3           HZ2      TRP   3   1.442  -3.111  -3.111
   21    HZ3  TRP   3           HZ3      TRP   3  -2.707  -4.098  -4.098
   22    HH2  TRP   3           HH2      TRP   3  -0.776  -3.623  -3.623
   23    H    ALA   4           H        ALA   4  -2.915  -4.229  -4.229
   24    HA   ALA   4           HA       ALA   4  -4.640  -5.913  -5.913
   25   1HB   ALA   4          2HB       ALA   4  -4.319  -5.321  -5.321
   26   2HB   ALA   4          1HB       ALA   4  -5.782  -6.151  -6.151
   27   3HB   ALA   4          3HB       ALA   4  -4.200  -6.862  -6.862
   28    H    THR   5           H        THR   5  -5.484  -3.241  -3.241
   29    HA   THR   5           HA       THR   5  -8.237  -3.080  -3.080
   30    HB   THR   5           HB       THR   5  -6.685  -0.666  -0.666
   31    HG1  THR   5           HG1      THR   5  -7.475  -2.899  -2.899
   32   1HG2  THR   5          1HG2      THR   5  -9.462  -1.772  -1.772
   33   2HG2  THR   5          3HG2      THR   5  -8.860  -0.644  -0.644
   34   3HG2  THR   5          2HG2      THR   5  -8.946  -0.155  -0.155
   35    H    PHE   6           H        PHE   6  -5.284  -1.691  -1.691
   36    HA   PHE   6           HA       PHE   6  -6.602   0.102   0.102
   37   1HB   PHE   6          2HB       PHE   6  -4.299   0.548   0.548
   38   2HB   PHE   6          1HB       PHE   6  -3.824  -1.022  -1.022
   39    HD1  PHE   6           HD2      PHE   6  -3.717  -1.438  -1.438
   40    HD2  PHE   6           HD1      PHE   6  -4.921   2.436   2.436
   41    HE1  PHE   6           HE2      PHE   6  -3.414  -0.477  -0.477
   42    HE2  PHE   6           HE1      PHE   6  -4.620   3.390   3.390
   43    HZ   PHE   6           HZ       PHE   6  -3.862   1.914   1.914
   44    H    GLN   7           H        GLN   7  -5.778  -3.280  -3.280
   45    HA   GLN   7           HA       GLN   7  -5.813  -3.906  -3.906
   46   1HB   GLN   7          2HB       GLN   7  -5.303  -5.544  -5.544
   47   2HB   GLN   7          1HB       GLN   7  -7.040  -5.625  -5.625
   48   1HG   GLN   7          2HG       GLN   7  -7.482  -6.658  -6.658
   49   2HG   GLN   7          1HG       GLN   7  -5.985  -6.077  -6.077
   50   1HE2  GLN   7          2HE2      GLN   7  -4.150  -8.925  -8.925
   51   2HE2  GLN   7          1HE2      GLN   7  -4.211  -7.494  -7.494
   52    H    GLN   8           H        GLN   8  -8.338  -3.207  -3.207
   53    HA   GLN   8           HA       GLN   8 -10.522  -3.717  -3.717
   54   1HB   GLN   8          2HB       GLN   8 -10.280  -2.914  -2.914
   55   2HB   GLN   8          1HB       GLN   8 -11.609  -2.142  -2.142
   56   1HG   GLN   8          2HG       GLN   8 -12.712  -4.137  -4.137
   57   2HG   GLN   8          1HG       GLN   8 -11.223  -5.084  -5.084
   58   1HE2  GLN   8          2HE2      GLN   8 -11.140  -5.338  -5.338
   59   2HE2  GLN   8          1HE2      GLN   8 -10.128  -5.256  -5.256
   60    H    LYS   9           H        LYS   9  -8.659  -0.986  -0.986
   61    HA   LYS   9           HA       LYS   9 -10.023   1.235   1.235
   62   1HB   LYS   9          2HB       LYS   9  -7.931   1.398   1.398
   63   2HB   LYS   9          1HB       LYS   9  -7.009   0.866   0.866
   64   1HG   LYS   9          2HG       LYS   9  -6.850   3.238   3.238
   65   2HG   LYS   9          1HG       LYS   9  -8.045   2.863   2.863
   66   1HD   LYS   9          2HD       LYS   9  -9.050   4.600   4.600
   67   2HD   LYS   9          1HD       LYS   9  -9.800   3.143   3.143
   68   1HE   LYS   9          2HE       LYS   9  -9.179   4.029   4.029
   69   2HE   LYS   9          1HE       LYS   9  -7.610   3.331   3.331
   70   1HZ   LYS   9          2HZ       LYS   9  -8.435   6.079   6.079
   71   2HZ   LYS   9          1HZ       LYS   9  -7.539   5.714   5.714
   72   3HZ   LYS   9          3HZ       LYS   9  -6.886   5.396   5.396
   73    H    HIS  10           H        HIS  10  -7.592  -0.483  -0.483
   74    HA   HIS  10           HA       HIS  10  -8.800   0.850   0.850
   75   1HB   HIS  10          2HB       HIS  10  -6.175  -0.588  -0.588
   76   2HB   HIS  10          1HB       HIS  10  -6.801  -0.253  -0.253
   77    HD1  HIS  10           HD1      HIS  10  -6.871   1.959   1.959
   78    HD2  HIS  10           HD2      HIS  10  -5.272   1.913   1.913
   79    HE1  HIS  10           HE1      HIS  10  -5.739   4.201   4.201
   80    H    ILE  11           H        ILE  11  -8.318  -2.398  -2.398
   81    HA   ILE  11           HA       ILE  11  -9.422  -3.524  -3.524
   82    HB   ILE  11           HB       ILE  11  -8.311  -5.197  -5.197
   83   1HG1  ILE  11          2HG1      ILE  11  -6.585  -3.526  -3.526
   84   2HG1  ILE  11          1HG1      ILE  11  -6.121  -5.073  -5.073
   85   1HG2  ILE  11          3HG2      ILE  11  -9.575  -5.950  -5.950
   86   2HG2  ILE  11          2HG2      ILE  11  -7.968  -5.734  -5.734
   87   3HG2  ILE  11          1HG2      ILE  11  -8.211  -6.864  -6.864
   88   1HD1  ILE  11          1HD1      ILE  11  -7.618  -3.816  -3.816
   89   2HD1  ILE  11          3HD1      ILE  11  -6.617  -2.534  -2.534
   90   3HD1  ILE  11          2HD1      ILE  11  -5.865  -3.995  -3.995
   91    H    ILE  12           H        ILE  12 -11.619  -2.602  -2.602
   92    HA   ILE  12           HA       ILE  12 -13.010  -4.668  -4.668
   93    HB   ILE  12           HB       ILE  12 -14.315  -2.229  -2.229
   94   1HG1  ILE  12          2HG1      ILE  12 -14.003  -1.459  -1.459
   95   2HG1  ILE  12          1HG1      ILE  12 -12.541  -2.421  -2.421
   96   1HG2  ILE  12          3HG2      ILE  12 -15.473  -4.332  -4.332
   97   2HG2  ILE  12          2HG2      ILE  12 -15.078  -3.446  -3.446
   98   3HG2  ILE  12          1HG2      ILE  12 -16.099  -2.701  -2.701
   99   1HD1  ILE  12          1HD1      ILE  12 -13.242  -0.456  -0.456
  100   2HD1  ILE  12          3HD1      ILE  12 -12.555   0.154   0.154
  101   3HD1  ILE  12          2HD1      ILE  12 -11.654  -1.007  -1.007
  102    H    ASN  13           H        ASN  13 -12.121  -5.926  -5.926
  103    HA   ASN  13           HA       ASN  13 -13.394  -5.579  -5.579
  104   1HB   ASN  13          2HB       ASN  13 -11.113  -6.734  -6.734
  105   2HB   ASN  13          1HB       ASN  13 -12.118  -8.170  -8.170
  106   1HD2  ASN  13          2HD2      ASN  13 -11.835  -8.717  -8.717
  107   2HD2  ASN  13          1HD2      ASN  13 -11.591  -9.329  -9.329
  108    H    THR  14           H        THR  14 -15.628  -5.562  -5.562
  109    HA   THR  14           HA       THR  14 -16.762  -8.283  -8.283
  110    HB   THR  14           HB       THR  14 -18.734  -7.033  -7.033
  111    HG1  THR  14           HG1      THR  14 -18.704  -4.992  -4.992
  112   1HG2  THR  14          2HG2      THR  14 -16.047  -6.523  -6.523
  113   2HG2  THR  14          1HG2      THR  14 -17.606  -6.478  -6.478
  114   3HG2  THR  14          3HG2      THR  14 -17.003  -7.997  -7.997
  115    HA   PRO  15           HA       PRO  15 -18.312  -7.107  -7.107
  116   1HB   PRO  15          2HB       PRO  15 -18.772  -9.661  -9.661
  117   2HB   PRO  15          1HB       PRO  15 -17.180  -8.884  -8.884
  118   1HG   PRO  15          2HG       PRO  15 -18.175 -11.019 -11.019
  119   2HG   PRO  15          1HG       PRO  15 -16.515 -10.647 -10.647
  120   1HD   PRO  15          2HD       PRO  15 -17.733  -9.969  -9.969
  121   2HD   PRO  15          1HD       PRO  15 -16.166  -9.379  -9.379
  122    H    ILE  16           H        ILE  16 -20.069  -7.166  -7.166
  123    HA   ILE  16           HA       ILE  16 -22.545  -8.383  -8.383
  124    HB   ILE  16           HB       ILE  16 -21.963  -7.602  -7.602
  125   1HG1  ILE  16          2HG1      ILE  16 -22.158 -10.304 -10.304
  126   2HG1  ILE  16          1HG1      ILE  16 -21.449 -10.081 -10.081
  127   1HG2  ILE  16          2HG2      ILE  16 -24.239  -9.061  -9.061
  128   2HG2  ILE  16          1HG2      ILE  16 -23.973  -9.122  -9.122
  129   3HG2  ILE  16          3HG2      ILE  16 -24.324  -7.583  -7.583
  130   1HD1  ILE  16          1HD1      ILE  16 -19.648  -8.699  -8.699
  131   2HD1  ILE  16          3HD1      ILE  16 -20.347  -8.980  -8.980
  132   3HD1  ILE  16          2HD1      ILE  16 -19.677 -10.327 -10.327
  133    H    ILE  17           H        ILE  17 -24.551  -7.061  -7.061
  134    HA   ILE  17           HA       ILE  17 -23.957  -4.174  -4.174
  135    HB   ILE  17           HB       ILE  17 -26.349  -4.054  -4.054
  136   1HG1  ILE  17          2HG1      ILE  17 -26.355  -7.065  -7.065
  137   2HG1  ILE  17          1HG1      ILE  17 -27.005  -5.996  -5.996
  138   1HG2  ILE  17          2HG2      ILE  17 -24.288  -5.780  -5.780
  139   2HG2  ILE  17          1HG2      ILE  17 -25.926  -6.034  -6.034
  140   3HG2  ILE  17          3HG2      ILE  17 -25.193  -4.432  -4.432
  141   1HD1  ILE  17          2HD1      ILE  17 -28.357  -4.931  -4.931
  142   2HD1  ILE  17          1HD1      ILE  17 -27.977  -6.418  -6.418
  143   3HD1  ILE  17          3HD1      ILE  17 -28.893  -6.485  -6.485
  144    H    ASN  18           H        ASN  18 -23.661  -5.337  -5.337
  145    HA   ASN  18           HA       ASN  18 -25.729  -3.731  -3.731
  146   1HB   ASN  18          2HB       ASN  18 -24.391  -6.228  -6.228
  147   2HB   ASN  18          1HB       ASN  18 -25.779  -5.359  -5.359
  148   1HD2  ASN  18          2HD2      ASN  18 -27.947  -6.588  -6.588
  149   2HD2  ASN  18          1HD2      ASN  18 -27.552  -5.096  -5.096
  150    H    CYS  19           H        CYS  19 -24.324  -1.924  -1.924
  151    HA   CYS  19           HA       CYS  19 -21.552  -2.175  -2.175
  152   1HB   CYS  19          2HB       CYS  19 -23.149   0.405   0.405
  153   2HB   CYS  19          1HB       CYS  19 -21.406   0.197   0.197
  154    H    ASN  20           H        ASN  20 -24.560  -1.996  -1.996
  155    HA   ASN  20           HA       ASN  20 -23.367  -0.773  -0.773
  156   1HB   ASN  20          2HB       ASN  20 -25.598  -1.486  -1.486
  157   2HB   ASN  20          1HB       ASN  20 -25.682  -0.285  -0.285
  158   1HD2  ASN  20          2HD2      ASN  20 -27.454  -2.403  -2.403
  159   2HD2  ASN  20          1HD2      ASN  20 -26.620  -0.936  -0.936
  160    H    THR  21           H        THR  21 -24.617  -3.991  -3.991
  161    HA   THR  21           HA       THR  21 -23.943  -5.351  -5.351
  162    HB   THR  21           HB       THR  21 -23.683  -7.351  -7.351
  163    HG1  THR  21           HG1      THR  21 -23.685  -5.837  -5.837
  164   1HG2  THR  21          2HG2      THR  21 -25.991  -5.959  -5.959
  165   2HG2  THR  21          1HG2      THR  21 -26.382  -7.035  -7.035
  166   3HG2  THR  21          3HG2      THR  21 -25.532  -7.660  -7.660
  167    H    ILE  22           H        ILE  22 -21.971  -4.556  -4.556
  168    HA   ILE  22           HA       ILE  22 -19.710  -6.181  -6.181
  169    HB   ILE  22           HB       ILE  22 -18.472  -5.051  -5.051
  170   1HG1  ILE  22          2HG1      ILE  22 -20.189  -3.565  -3.565
  171   2HG1  ILE  22          1HG1      ILE  22 -20.804  -3.206  -3.206
  172   1HG2  ILE  22          1HG2      ILE  22 -21.266  -6.024  -6.024
  173   2HG2  ILE  22          3HG2      ILE  22 -20.050  -5.712  -5.712
  174   3HG2  ILE  22          2HG2      ILE  22 -19.768  -6.956  -6.956
  175   1HD1  ILE  22          1HD1      ILE  22 -18.123  -2.979  -2.979
  176   2HD1  ILE  22          3HD1      ILE  22 -18.234  -2.449  -2.449
  177   3HD1  ILE  22          2HD1      ILE  22 -19.165  -1.623  -1.623
  178    H    MET  23           H        MET  23 -20.593  -2.734  -2.734
  179    HA   MET  23           HA       MET  23 -18.093  -2.195  -2.195
  180   1HB   MET  23          2HB       MET  23 -18.684   0.151   0.151
  181   2HB   MET  23          1HB       MET  23 -18.899  -0.564  -0.564
  182   1HG   MET  23          2HG       MET  23 -20.945   0.432   0.432
  183   2HG   MET  23          1HG       MET  23 -21.381  -0.948  -0.948
  184   1HE   MET  23          2HE       MET  23 -22.997   1.252   1.252
  185   2HE   MET  23          1HE       MET  23 -23.355   0.516   0.516
  186   3HE   MET  23          3HE       MET  23 -23.075   2.259   2.259
  187    H    ASP  24           H        ASP  24 -20.731  -3.711  -3.711
  188    HA   ASP  24           HA       ASP  24 -21.857  -2.220  -2.220
  189   1HB   ASP  24          2HB       ASP  24 -21.640  -5.127  -5.127
  190   2HB   ASP  24          1HB       ASP  24 -22.145  -4.720  -4.720
  191    H    ASN  25           H        ASN  25 -20.152  -1.162  -1.162
  192    HA   ASN  25           HA       ASN  25 -18.867  -2.621  -2.621
  193   1HB   ASN  25          2HB       ASN  25 -17.408  -3.269  -3.269
  194   2HB   ASN  25          1HB       ASN  25 -17.060  -1.576  -1.576
  195   1HD2  ASN  25          2HD2      ASN  25 -15.713  -3.023  -3.023
  196   2HD2  ASN  25          1HD2      ASN  25 -17.288  -3.403  -3.403
  197    H    ASN  26           H        ASN  26 -17.734  -1.173  -1.173
  198    HA   ASN  26           HA       ASN  26 -18.794   1.547   1.547
  199   1HB   ASN  26          2HB       ASN  26 -18.258   0.195   0.195
  200   2HB   ASN  26          1HB       ASN  26 -16.546   0.428   0.428
  201   1HD2  ASN  26          2HD2      ASN  26 -16.481   3.714   3.714
  202   2HD2  ASN  26          1HD2      ASN  26 -15.605   2.403   2.403
  203    H    ILE  27           H        ILE  27 -16.116   0.128   0.128
  204    HA   ILE  27           HA       ILE  27 -14.406   2.519   2.519
  205    HB   ILE  27           HB       ILE  27 -14.155   0.011   0.011
  206   1HG1  ILE  27          2HG1      ILE  27 -12.769   0.704   0.704
  207   2HG1  ILE  27          1HG1      ILE  27 -14.168  -0.368  -0.368
  208   1HG2  ILE  27          1HG2      ILE  27 -12.384   2.380   2.380
  209   2HG2  ILE  27          3HG2      ILE  27 -11.667   0.809   0.809
  210   3HG2  ILE  27          2HG2      ILE  27 -12.728   1.587   1.587
  211   1HD1  ILE  27          2HD1      ILE  27 -12.862  -1.757  -1.757
  212   2HD1  ILE  27          1HD1      ILE  27 -11.453  -0.765  -0.765
  213   3HD1  ILE  27          3HD1      ILE  27 -12.191  -1.756  -1.756
  214    H    TYR  28           H        TYR  28 -17.259   2.089   2.089
  215    HA   TYR  28           HA       TYR  28 -16.420   3.733   3.733
  216   1HB   TYR  28          2HB       TYR  28 -18.127   1.236   1.236
  217   2HB   TYR  28          1HB       TYR  28 -18.246   2.446   2.446
  218    HD1  TYR  28           HD2      TYR  28 -15.954   3.271   3.271
  219    HD2  TYR  28           HD1      TYR  28 -16.516  -0.459  -0.459
  220    HE1  TYR  28           HE2      TYR  28 -13.913   2.374   2.374
  221    HE2  TYR  28           HE1      TYR  28 -14.464  -1.352  -1.352
  222    HH   TYR  28           HH       TYR  28 -12.159   0.239   0.239
  223    H    ILE  29           H        ILE  29 -17.351   5.132   5.132
  224    HA   ILE  29           HA       ILE  29 -20.064   5.995   5.995
  225    HB   ILE  29           HB       ILE  29 -19.549   5.382   5.382
  226   1HG1  ILE  29          2HG1      ILE  29 -21.044   3.683   3.683
  227   2HG1  ILE  29          1HG1      ILE  29 -19.497   3.264   3.264
  228   1HG2  ILE  29          2HG2      ILE  29 -21.838   6.331   6.331
  229   2HG2  ILE  29          1HG2      ILE  29 -22.187   5.398   5.398
  230   3HG2  ILE  29          3HG2      ILE  29 -21.294   6.913   6.913
  231   1HD1  ILE  29          3HD1      ILE  29 -21.086   3.844   3.844
  232   2HD1  ILE  29          2HD1      ILE  29 -22.186   3.005   3.005
  233   3HD1  ILE  29          1HD1      ILE  29 -20.685   2.230   2.230
  234    H    VAL  30           H        VAL  30 -20.476   8.150   8.150
  235    HA   VAL  30           HA       VAL  30 -18.180   9.647   9.647
  236    HB   VAL  30           HB       VAL  30 -18.874   9.992   9.992
  237   1HG1  VAL  30          1HG1      VAL  30 -21.303  10.272  10.272
  238   2HG1  VAL  30          3HG1      VAL  30 -20.929  11.794  11.794
  239   3HG1  VAL  30          2HG1      VAL  30 -20.604  11.606  11.606
  240   1HG2  VAL  30          3HG2      VAL  30 -17.638  11.601  11.601
  241   2HG2  VAL  30          2HG2      VAL  30 -17.618  11.845  11.845
  242   3HG2  VAL  30          1HG2      VAL  30 -18.814  12.678  12.678
  243    H    GLY  31           H        GLY  31 -19.499  12.057  12.057
  244   1HA   GLY  31          2HA       GLY  31 -21.209  11.116  11.116
  245   2HA   GLY  31          1HA       GLY  31 -20.413  12.681  12.681
  246    H    GLY  32           H        GLY  32 -22.998  10.796  10.796
  247   1HA   GLY  32          2HA       GLY  32 -24.884  12.987  12.987
  248   2HA   GLY  32          1HA       GLY  32 -24.329  12.787  12.787
  249    H    GLN  33           H        GLN  33 -24.281  10.319  10.319
  250    HA   GLN  33           HA       GLN  33 -26.321   8.574   8.574
  251   1HB   GLN  33          2HB       GLN  33 -26.924  10.278  10.278
  252   2HB   GLN  33          1HB       GLN  33 -27.509   8.614   8.614
  253   1HG   GLN  33          2HG       GLN  33 -28.352   9.200   9.200
  254   2HG   GLN  33          1HG       GLN  33 -28.211  10.870  10.870
  255   1HE2  GLN  33          2HE2      GLN  33 -30.615  10.113  10.113
  256   2HE2  GLN  33          1HE2      GLN  33 -29.003  10.641  10.641
  257    H    CYS  34           H        CYS  34 -25.052   9.270   9.270
  258    HA   CYS  34           HA       CYS  34 -23.428   6.784   6.784
  259   1HB   CYS  34          2HB       CYS  34 -24.254   6.219   6.219
  260   2HB   CYS  34          1HB       CYS  34 -25.503   6.086   6.086
  261    H    LYS  35           H        LYS  35 -21.917   6.778   6.778
  262    HA   LYS  35           HA       LYS  35 -20.651   9.403   9.403
  263   1HB   LYS  35          2HB       LYS  35 -20.014   6.629   6.629
  264   2HB   LYS  35          1HB       LYS  35 -19.202   7.985   7.985
  265   1HG   LYS  35          2HG       LYS  35 -18.419   8.810   8.810
  266   2HG   LYS  35          1HG       LYS  35 -19.284   7.516   7.516
  267   1HD   LYS  35          2HD       LYS  35 -17.905   5.880   5.880
  268   2HD   LYS  35          1HD       LYS  35 -16.914   7.260   7.260
  269   1HE   LYS  35          2HE       LYS  35 -17.467   6.852   6.852
  270   2HE   LYS  35          1HE       LYS  35 -16.283   5.804   5.804
  271   1HZ   LYS  35          2HZ       LYS  35 -16.139   8.699   8.699
  272   2HZ   LYS  35          1HZ       LYS  35 -15.570   8.079   8.079
  273   3HZ   LYS  35          3HZ       LYS  35 -14.894   7.543   7.543
  274    H    ARG  36           H        ARG  36 -20.363  10.620  10.620
  275    HA   ARG  36           HA       ARG  36 -22.638  10.577  10.577
  276   1HB   ARG  36          2HB       ARG  36 -20.304  12.347  12.347
  277   2HB   ARG  36          1HB       ARG  36 -20.963  12.397  12.397
  278   1HG   ARG  36          2HG       ARG  36 -23.261  12.679  12.679
  279   2HG   ARG  36          1HG       ARG  36 -22.411  12.959  12.959
  280   1HD   ARG  36          2HD       ARG  36 -21.020  14.658  14.658
  281   2HD   ARG  36          1HD       ARG  36 -22.515  14.659  14.659
  282    HE   ARG  36           HE       ARG  36 -23.338  15.041  15.041
  283   1HH1  ARG  36          1HH1      ARG  36 -20.926  18.010  18.010
  284   2HH1  ARG  36          2HH1      ARG  36 -20.431  16.350  16.350
  285   1HH2  ARG  36          1HH2      ARG  36 -24.310  17.274  17.274
  286   2HH2  ARG  36          2HH2      ARG  36 -23.122  18.532  18.532
  287    H    VAL  37           H        VAL  37 -19.357   9.343   9.343
  288    HA   VAL  37           HA       VAL  37 -19.879   8.146   8.146
  289    HB   VAL  37           HB       VAL  37 -17.351   9.739   9.739
  290   1HG1  VAL  37          3HG1      VAL  37 -17.681   7.704   7.704
  291   2HG1  VAL  37          2HG1      VAL  37 -18.373   8.988   8.988
  292   3HG1  VAL  37          1HG1      VAL  37 -16.711   9.117   9.117
  293   1HG2  VAL  37          1HG2      VAL  37 -19.888  10.477  10.477
  294   2HG2  VAL  37          3HG2      VAL  37 -19.164  11.332  11.332
  295   3HG2  VAL  37          2HG2      VAL  37 -18.359  11.331  11.331
  296    H    ASN  38           H        ASN  38 -19.694   6.066   6.066
  297    HA   ASN  38           HA       ASN  38 -17.380   5.265   5.265
  298   1HB   ASN  38          2HB       ASN  38 -19.535   3.406   3.406
  299   2HB   ASN  38          1HB       ASN  38 -18.487   3.171   3.171
  300   1HD2  ASN  38          2HD2      ASN  38 -21.812   4.198   4.198
  301   2HD2  ASN  38          1HD2      ASN  38 -21.194   2.874   2.874
  302    H    THR  39           H        THR  39 -15.953   5.902   5.902
  303    HA   THR  39           HA       THR  39 -16.052   4.462   4.462
  304    HB   THR  39           HB       THR  39 -13.767   6.098   6.098
  305    HG1  THR  39           HG1      THR  39 -14.770   7.788   7.788
  306   1HG2  THR  39          1HG2      THR  39 -14.320   4.762   4.762
  307   2HG2  THR  39          3HG2      THR  39 -13.874   6.461   6.461
  308   3HG2  THR  39          2HG2      THR  39 -12.791   5.344   5.344
  309    H    PHE  40           H        PHE  40 -15.432   2.415   2.415
  310    HA   PHE  40           HA       PHE  40 -13.296   1.300   1.300
  311   1HB   PHE  40          2HB       PHE  40 -15.295  -0.168  -0.168
  312   2HB   PHE  40          1HB       PHE  40 -14.270  -0.873  -0.873
  313    HD1  PHE  40           HD1      PHE  40 -14.533   0.941   0.941
  314    HD2  PHE  40           HD2      PHE  40 -17.504  -0.377  -0.377
  315    HE1  PHE  40           HE1      PHE  40 -16.309   1.349   1.349
  316    HE2  PHE  40           HE2      PHE  40 -19.277   0.032   0.032
  317    HZ   PHE  40           HZ       PHE  40 -18.681   0.896   0.896
  318    H    ILE  41           H        ILE  41 -11.751  -0.257  -0.257
  319    HA   ILE  41           HA       ILE  41 -11.459   0.464   0.464
  320    HB   ILE  41           HB       ILE  41  -9.078  -0.050  -0.050
  321   1HG1  ILE  41          2HG1      ILE  41 -10.260   1.913   1.913
  322   2HG1  ILE  41          1HG1      ILE  41  -8.767   2.404   2.404
  323   1HG2  ILE  41          2HG2      ILE  41  -9.592   0.786   0.786
  324   2HG2  ILE  41          1HG2      ILE  41  -8.250   1.583   1.583
  325   3HG2  ILE  41          3HG2      ILE  41  -8.270  -0.174  -0.174
  326   1HD1  ILE  41          2HD1      ILE  41 -10.726   2.451   2.451
  327   2HD1  ILE  41          1HD1      ILE  41 -11.495   3.174   3.174
  328   3HD1  ILE  41          3HD1      ILE  41  -9.987   3.843   3.843
  329    H    ILE  42           H        ILE  42 -11.511  -1.311  -1.311
  330    HA   ILE  42           HA       ILE  42 -11.254  -3.980  -3.980
  331    HB   ILE  42           HB       ILE  42 -12.198  -4.810  -4.810
  332   1HG1  ILE  42          2HG1      ILE  42 -12.817  -1.866  -1.866
  333   2HG1  ILE  42          1HG1      ILE  42 -11.555  -2.727  -2.727
  334   1HG2  ILE  42          1HG2      ILE  42 -13.609  -3.001  -3.001
  335   2HG2  ILE  42          3HG2      ILE  42 -14.495  -3.625  -3.625
  336   3HG2  ILE  42          2HG2      ILE  42 -13.779  -4.742  -4.742
  337   1HD1  ILE  42          1HD1      ILE  42 -13.498  -4.438  -4.438
  338   2HD1  ILE  42          3HD1      ILE  42 -14.529  -3.049  -3.049
  339   3HD1  ILE  42          2HD1      ILE  42 -13.342  -2.966  -2.966
  340    H    SER  43           H        SER  43  -9.094  -4.373  -4.373
  341    HA   SER  43           HA       SER  43  -7.658  -5.284  -5.284
  342   1HB   SER  43          2HB       SER  43  -7.462  -2.867  -2.867
  343   2HB   SER  43          1HB       SER  43  -6.787  -2.602  -2.602
  344    HG   SER  43           HG       SER  43  -5.254  -2.866  -2.866
  345    H    SER  44           H        SER  44  -5.513  -6.112  -6.112
  346    HA   SER  44           HA       SER  44  -5.431  -7.227  -7.227
  347   1HB   SER  44          2HB       SER  44  -3.010  -7.802  -7.802
  348   2HB   SER  44          1HB       SER  44  -4.286  -8.441  -8.441
  349    HG   SER  44           HG       SER  44  -3.667  -7.153  -7.153
  350    H    ALA  45           H        ALA  45  -4.693  -6.352  -6.352
  351    HA   ALA  45           HA       ALA  45  -3.979  -3.646  -3.646
  352   1HB   ALA  45          2HB       ALA  45  -3.995  -6.042  -6.042
  353   2HB   ALA  45          1HB       ALA  45  -2.709  -4.924  -4.924
  354   3HB   ALA  45          3HB       ALA  45  -4.383  -4.375  -4.375
  355    H    THR  46           H        THR  46  -1.958  -6.347  -6.347
  356    HA   THR  46           HA       THR  46   0.545  -5.043  -5.043
  357    HB   THR  46           HB       THR  46   0.441  -7.450  -7.450
  358    HG1  THR  46           HG1      THR  46   2.398  -6.426  -6.426
  359   1HG2  THR  46          3HG2      THR  46  -0.578  -7.000  -7.000
  360   2HG2  THR  46          2HG2      THR  46   0.424  -8.420  -8.420
  361   3HG2  THR  46          1HG2      THR  46  -1.066  -8.203  -8.203
  362    H    THR  47           H        THR  47  -1.415  -5.216  -5.216
  363    HA   THR  47           HA       THR  47   0.587  -4.108  -4.108
  364    HB   THR  47           HB       THR  47  -1.579  -3.282  -3.282
  365    HG1  THR  47           HG1      THR  47  -3.048  -3.558  -3.558
  366   1HG2  THR  47          3HG2      THR  47  -0.017  -5.362  -5.362
  367   2HG2  THR  47          2HG2      THR  47  -1.390  -6.259  -6.259
  368   3HG2  THR  47          1HG2      THR  47  -1.580  -5.292  -5.292
  369    H    VAL  48           H        VAL  48  -1.903  -2.779  -2.779
  370    HA   VAL  48           HA       VAL  48  -1.452   0.004   0.004
  371    HB   VAL  48           HB       VAL  48  -2.490  -1.152  -1.152
  372   1HG1  VAL  48          3HG1      VAL  48  -1.830   1.384   1.384
  373   2HG1  VAL  48          2HG1      VAL  48  -3.397   1.413   1.413
  374   3HG1  VAL  48          1HG1      VAL  48  -3.293   0.973   0.973
  375   1HG2  VAL  48          1HG2      VAL  48  -3.702  -0.949  -0.949
  376   2HG2  VAL  48          3HG2      VAL  48  -4.069  -2.066  -2.066
  377   3HG2  VAL  48          2HG2      VAL  48  -4.716  -0.426  -0.426
  378    H    LYS  49           H        LYS  49  -0.029  -2.345  -2.345
  379    HA   LYS  49           HA       LYS  49   1.497  -0.543  -0.543
  380   1HB   LYS  49          2HB       LYS  49   0.990  -2.921  -2.921
  381   2HB   LYS  49          1HB       LYS  49   2.100  -3.440  -3.440
  382   1HG   LYS  49          2HG       LYS  49   3.816  -1.886  -1.886
  383   2HG   LYS  49          1HG       LYS  49   2.709  -2.036  -2.036
  384   1HD   LYS  49          2HD       LYS  49   3.918  -3.914  -3.914
  385   2HD   LYS  49          1HD       LYS  49   2.900  -4.643  -4.643
  386   1HE   LYS  49          2HE       LYS  49   4.573  -4.287  -4.287
  387   2HE   LYS  49          1HE       LYS  49   5.539  -3.288  -3.288
  388   1HZ   LYS  49          3HZ       LYS  49   4.888  -6.109  -6.109
  389   2HZ   LYS  49          2HZ       LYS  49   6.265  -5.672  -5.672
  390   3HZ   LYS  49          1HZ       LYS  49   6.080  -5.133  -5.133
  391    H    ALA  50           H        ALA  50   1.951  -1.802  -1.802
  392    HA   ALA  50           HA       ALA  50   4.824  -1.281  -1.281
  393   1HB   ALA  50          2HB       ALA  50   2.838  -2.506  -2.506
  394   2HB   ALA  50          1HB       ALA  50   3.909  -1.427  -1.427
  395   3HB   ALA  50          3HB       ALA  50   4.583  -2.748  -2.748
  396    H    ILE  51           H        ILE  51   1.869   0.402   0.402
  397    HA   ILE  51           HA       ILE  51   3.281   2.544   2.544
  398    HB   ILE  51           HB       ILE  51   1.080   3.730   3.730
  399   1HG1  ILE  51          2HG1      ILE  51   0.062   1.182   1.182
  400   2HG1  ILE  51          1HG1      ILE  51   0.538   2.571   2.571
  401   1HG2  ILE  51          2HG2      ILE  51   1.780   1.912   1.912
  402   2HG2  ILE  51          1HG2      ILE  51   0.644   0.878   0.878
  403   3HG2  ILE  51          3HG2      ILE  51   0.076   2.359   2.359
  404   1HD1  ILE  51          3HD1      ILE  51  -1.297   3.076   3.076
  405   2HD1  ILE  51          2HD1      ILE  51  -1.970   2.264   2.264
  406   3HD1  ILE  51          1HD1      ILE  51  -1.232   3.857   3.857
  407    H    CYS  52           H        CYS  52   2.590   1.902   1.902
  408    HA   CYS  52           HA       CYS  52   3.178   4.715   4.715
  409   1HB   CYS  52          2HB       CYS  52   1.288   2.940   2.940
  410   2HB   CYS  52          1HB       CYS  52   2.569   2.824   2.824
  411    H    THR  53           H        THR  53   5.182   2.638   2.638
  412    HA   THR  53           HA       THR  53   6.855   2.247   2.247
  413    HB   THR  53           HB       THR  53   7.487   1.349   1.349
  414    HG1  THR  53           HG1      THR  53   6.526  -0.626  -0.626
  415   1HG2  THR  53          2HG2      THR  53   9.222   1.380   1.380
  416   2HG2  THR  53          1HG2      THR  53   8.276   0.073   0.073
  417   3HG2  THR  53          3HG2      THR  53   9.015  -0.135  -0.135
  418    H    GLY  54           H        GLY  54   8.179   3.917   3.917
  419   1HA   GLY  54          2HA       GLY  54   9.982   5.046   5.046
  420   2HA   GLY  54          1HA       GLY  54   8.798   6.202   6.202
  421    H    VAL  55           H        VAL  55   8.631   6.033   6.033
  422    HA   VAL  55           HA       VAL  55  11.210   5.498   5.498
  423    HB   VAL  55           HB       VAL  55  11.238   7.834   7.834
  424   1HG1  VAL  55          2HG1      VAL  55   8.860   8.277   8.277
  425   2HG1  VAL  55          1HG1      VAL  55   9.850   8.853   8.853
  426   3HG1  VAL  55          3HG1      VAL  55  10.014   9.584   9.584
  427   1HG2  VAL  55          1HG2      VAL  55  12.478   6.834   6.834
  428   2HG2  VAL  55          3HG2      VAL  55  12.899   8.339   8.339
  429   3HG2  VAL  55          2HG2      VAL  55  11.818   8.366   8.366
  430    H    ILE  56           H        ILE  56  10.706   6.721   6.721
  431    HA   ILE  56           HA       ILE  56   8.389   5.137   5.137
  432    HB   ILE  56           HB       ILE  56  10.622   5.088   5.088
  433   1HG1  ILE  56          2HG1      ILE  56   8.515   6.178   6.178
  434   2HG1  ILE  56          1HG1      ILE  56   8.351   4.598   4.598
  435   1HG2  ILE  56          1HG2      ILE  56  11.148   7.499   7.499
  436   2HG2  ILE  56          3HG2      ILE  56   9.857   7.882   7.882
  437   3HG2  ILE  56          2HG2      ILE  56  11.265   6.967   6.967
  438   1HD1  ILE  56          3HD1      ILE  56  10.655   4.044   4.044
  439   2HD1  ILE  56          2HD1      ILE  56  10.545   5.525   5.525
  440   3HD1  ILE  56          1HD1      ILE  56   9.389   4.219   4.219
  441    H    ASN  57           H        ASN  57   8.008   7.687   7.687
  442    HA   ASN  57           HA       ASN  57   5.690   8.776   8.776
  443   1HB   ASN  57          2HB       ASN  57   7.592   9.602   9.602
  444   2HB   ASN  57          1HB       ASN  57   7.915  10.760  10.760
  445   1HD2  ASN  57          2HD2      ASN  57   4.979  12.654  12.654
  446   2HD2  ASN  57          1HD2      ASN  57   6.311  12.405  12.405
  447    H    MET  58           H        MET  58   4.853   9.236   9.236
  448    HA   MET  58           HA       MET  58   6.098  11.320  11.320
  449   1HB   MET  58          2HB       MET  58   7.022   8.781   8.781
  450   2HB   MET  58          1HB       MET  58   5.667   8.853   8.853
  451   1HG   MET  58          2HG       MET  58   6.785  11.273  11.273
  452   2HG   MET  58          1HG       MET  58   8.223  10.360  10.360
  453   1HE   MET  58          1HE       MET  58   7.717  11.758  11.758
  454   2HE   MET  58          3HE       MET  58   7.279  10.778  10.778
  455   3HE   MET  58          2HE       MET  58   6.031  11.349  11.349
  456    H    ASN  59           H        ASN  59   4.834  11.095  11.095
  457    HA   ASN  59           HA       ASN  59   1.957  10.492  10.492
  458   1HB   ASN  59          2HB       ASN  59   3.151  13.190  13.190
  459   2HB   ASN  59          1HB       ASN  59   1.773  12.863  12.863
  460   1HD2  ASN  59          2HD2      ASN  59  -0.400  12.214  12.214
  461   2HD2  ASN  59          1HD2      ASN  59   0.009  11.430  11.430
  462    H    VAL  60           H        VAL  60   1.516   9.136   9.136
  463    HA   VAL  60           HA       VAL  60   2.675   9.746   9.746
  464    HB   VAL  60           HB       VAL  60   2.063   6.966   6.966
  465   1HG1  VAL  60          1HG1      VAL  60   3.249   8.132   8.132
  466   2HG1  VAL  60          3HG1      VAL  60   3.906   6.604   6.604
  467   3HG1  VAL  60          2HG1      VAL  60   2.193   6.732   6.732
  468   1HG2  VAL  60          2HG2      VAL  60   4.611   8.591   8.591
  469   2HG2  VAL  60          1HG2      VAL  60   3.836   7.697   7.697
  470   3HG2  VAL  60          3HG2      VAL  60   4.642   6.828   6.828
  471    H    LEU  61           H        LEU  61   1.253   8.643   8.643
  472    HA   LEU  61           HA       LEU  61  -1.582   8.415   8.415
  473   1HB   LEU  61          2HB       LEU  61  -2.218   9.970   9.970
  474   2HB   LEU  61          1HB       LEU  61  -1.480  10.739  10.739
  475    HG   LEU  61           HG       LEU  61   0.327   9.812   9.812
  476   1HD1  LEU  61          2HD1      LEU  61  -1.833  11.258  11.258
  477   2HD1  LEU  61          1HD1      LEU  61  -0.751  12.562  12.562
  478   3HD1  LEU  61          3HD1      LEU  61  -0.249  11.420  11.420
  479   1HD2  LEU  61          1HD2      LEU  61   0.643  11.200  11.200
  480   2HD2  LEU  61          3HD2      LEU  61   1.804  11.171  11.171
  481   3HD2  LEU  61          2HD2      LEU  61   0.639  12.488  12.488
  482    H    SER  62           H        SER  62  -2.418   6.647   6.647
  483    HA   SER  62           HA       SER  62  -1.240   5.079   5.079
  484   1HB   SER  62          2HB       SER  62  -3.850   4.355   4.355
  485   2HB   SER  62          1HB       SER  62  -2.758   3.745   3.745
  486    HG   SER  62           HG       SER  62  -3.900   4.773   4.773
  487    H    THR  63           H        THR  63  -0.801   6.315   6.315
  488    HA   THR  63           HA       THR  63  -2.805   8.094   8.094
  489    HB   THR  63           HB       THR  63  -0.993   8.023   8.023
  490    HG1  THR  63           HG1      THR  63   0.940   7.272   7.272
  491   1HG2  THR  63          1HG2      THR  63  -1.450   9.947   9.947
  492   2HG2  THR  63          3HG2      THR  63  -0.437   9.234   9.234
  493   3HG2  THR  63          2HG2      THR  63   0.281   9.754   9.754
  494    H    THR  64           H        THR  64  -1.430   4.903   4.903
  495    HA   THR  64           HA       THR  64  -2.656   4.469   4.469
  496    HB   THR  64           HB       THR  64  -2.595   1.960   1.960
  497    HG1  THR  64           HG1      THR  64  -1.722   1.702   1.702
  498   1HG2  THR  64          3HG2      THR  64  -0.521   3.853   3.853
  499   2HG2  THR  64          2HG2      THR  64   0.107   2.399   2.399
  500   3HG2  THR  64          1HG2      THR  64  -0.944   2.261   2.261
  501    H    ARG  65           H        ARG  65  -3.898   2.364   2.364
  502    HA   ARG  65           HA       ARG  65  -6.465   3.532   3.532
  503   1HB   ARG  65          2HB       ARG  65  -7.824   2.085   2.085
  504   2HB   ARG  65          1HB       ARG  65  -6.788   3.201   3.201
  505   1HG   ARG  65          2HG       ARG  65  -5.118   1.061   1.061
  506   2HG   ARG  65          1HG       ARG  65  -6.682   0.250   0.250
  507   1HD   ARG  65          2HD       ARG  65  -7.131   1.809   1.809
  508   2HD   ARG  65          1HD       ARG  65  -5.388   2.084   2.084
  509    HE   ARG  65           HE       ARG  65  -6.654  -0.595  -0.595
  510   1HH1  ARG  65          1HH2      ARG  65  -3.930  -1.007  -1.007
  511   2HH1  ARG  65          2HH2      ARG  65  -3.005  -0.870  -0.870
  512   1HH2  ARG  65          2HH1      ARG  65  -5.531   0.727   0.727
  513   2HH2  ARG  65          1HH1      ARG  65  -3.914   0.110   0.110
  514    H    PHE  66           H        PHE  66  -6.487   2.664   2.664
  515    HA   PHE  66           HA       PHE  66  -6.070  -0.290  -0.290
  516   1HB   PHE  66          2HB       PHE  66  -6.038   2.018   2.018
  517   2HB   PHE  66          1HB       PHE  66  -6.182   0.352   0.352
  518    HD1  PHE  66           HD2      PHE  66  -4.090   2.515   2.515
  519    HD2  PHE  66           HD1      PHE  66  -4.230  -0.972  -0.972
  520    HE1  PHE  66           HE2      PHE  66  -1.663   2.171   2.171
  521    HE2  PHE  66           HE1      PHE  66  -1.803  -1.305  -1.305
  522    HZ   PHE  66           HZ       PHE  66  -0.523   0.257   0.257
  523    H    GLN  67           H        GLN  67  -8.393   0.392   0.392
  524    HA   GLN  67           HA       GLN  67 -10.795   0.614   0.614
  525   1HB   GLN  67          2HB       GLN  67  -9.896  -2.141  -2.141
  526   2HB   GLN  67          1HB       GLN  67 -11.561  -1.755  -1.755
  527   1HG   GLN  67          2HG       GLN  67 -11.069  -1.581  -1.581
  528   2HG   GLN  67          1HG       GLN  67  -9.522  -0.794  -0.794
  529   1HE2  GLN  67          2HE2      GLN  67  -9.687  -4.882  -4.882
  530   2HE2  GLN  67          1HE2      GLN  67 -11.119  -3.996  -3.996
  531    H    LEU  68           H        LEU  68 -11.907   1.847   1.847
  532    HA   LEU  68           HA       LEU  68 -11.931   0.834   0.834
  533   1HB   LEU  68          2HB       LEU  68 -13.046   3.112   3.112
  534   2HB   LEU  68          1HB       LEU  68 -11.331   3.084   3.084
  535    HG   LEU  68           HG       LEU  68 -11.716   3.898   3.898
  536   1HD1  LEU  68          2HD1      LEU  68 -14.613   3.297   3.297
  537   2HD1  LEU  68          1HD1      LEU  68 -14.161   4.458   4.458
  538   3HD1  LEU  68          3HD1      LEU  68 -13.653   2.776   2.776
  539   1HD2  LEU  68          2HD2      LEU  68 -11.919   5.489   5.489
  540   2HD2  LEU  68          1HD2      LEU  68 -12.648   6.054   6.054
  541   3HD2  LEU  68          3HD2      LEU  68 -13.664   5.396   5.396
  542    H    ASN  69           H        ASN  69 -13.836   0.707   0.707
  543    HA   ASN  69           HA       ASN  69 -16.378   0.357   0.357
  544   1HB   ASN  69          2HB       ASN  69 -15.210  -1.715  -1.715
  545   2HB   ASN  69          1HB       ASN  69 -15.899  -0.996  -0.996
  546   1HD2  ASN  69          2HD2      ASN  69 -19.075  -2.316  -2.316
  547   2HD2  ASN  69          1HD2      ASN  69 -17.952  -1.739  -1.739
  548    H    THR  70           H        THR  70 -17.131   2.519   2.519
  549    HA   THR  70           HA       THR  70 -17.071   3.440   3.440
  550    HB   THR  70           HB       THR  70 -17.922   5.049   5.049
  551    HG1  THR  70           HG1      THR  70 -15.889   5.340   5.340
  552   1HG2  THR  70          2HG2      THR  70 -17.852   5.544   5.544
  553   2HG2  THR  70          1HG2      THR  70 -16.526   6.462   6.462
  554   3HG2  THR  70          3HG2      THR  70 -18.175   6.699   6.699
  555    H    CYS  71           H        CYS  71 -18.753   3.439   3.439
  556    HA   CYS  71           HA       CYS  71 -21.513   3.217   3.217
  557   1HB   CYS  71          2HB       CYS  71 -20.493   2.524   2.524
  558   2HB   CYS  71          1HB       CYS  71 -22.185   2.472   2.472
  559    H    THR  72           H        THR  72 -22.112   5.367   5.367
  560    HA   THR  72           HA       THR  72 -21.271   7.301   7.301
  561    HB   THR  72           HB       THR  72 -22.619   7.942   7.942
  562    HG1  THR  72           HG1      THR  72 -20.725   6.745   6.745
  563   1HG2  THR  72          2HG2      THR  72 -20.988   9.478   9.478
  564   2HG2  THR  72          1HG2      THR  72 -21.226  10.062  10.062
  565   3HG2  THR  72          3HG2      THR  72 -22.614   9.830   9.830
  566    H    ARG  73           H        ARG  73 -22.692   8.193   8.193
  567    HA   ARG  73           HA       ARG  73 -25.403   7.287   7.287
  568   1HB   ARG  73          2HB       ARG  73 -23.885   8.306   8.306
  569   2HB   ARG  73          1HB       ARG  73 -24.255   9.875   9.875
  570   1HG   ARG  73          2HG       ARG  73 -26.751   9.064   9.064
  571   2HG   ARG  73          1HG       ARG  73 -26.068   7.986   7.986
  572   1HD   ARG  73          2HD       ARG  73 -25.613   9.692   9.692
  573   2HD   ARG  73          1HD       ARG  73 -25.157  10.802  10.802
  574    HE   ARG  73           HE       ARG  73 -27.856  10.453  10.453
  575   1HH1  ARG  73          1HH2      ARG  73 -28.822  10.424  10.424
  576   2HH1  ARG  73          2HH2      ARG  73 -28.686  12.038  12.038
  577   1HH2  ARG  73          2HH1      ARG  73 -26.402  13.042  13.042
  578   2HH2  ARG  73          1HH1      ARG  73 -27.318  13.521  13.521
  579    H    THR  74           H        THR  74 -26.819   7.716   7.716
  580    HA   THR  74           HA       THR  74 -26.804  10.454  10.454
  581    HB   THR  74           HB       THR  74 -28.271   9.255   9.255
  582    HG1  THR  74           HG1      THR  74 -27.930   7.032   7.032
  583   1HG2  THR  74          3HG2      THR  74 -25.683   9.888   9.888
  584   2HG2  THR  74          2HG2      THR  74 -25.505   8.133   8.133
  585   3HG2  THR  74          1HG2      THR  74 -26.362   8.948   8.948
  586    H    SER  75           H        SER  75 -29.633   8.330   8.330
  587    HA   SER  75           HA       SER  75 -31.143   9.445   9.445
  588   1HB   SER  75          2HB       SER  75 -30.738  11.371  11.371
  589   2HB   SER  75          1HB       SER  75 -32.158  10.610  10.610
  590    HG   SER  75           HG       SER  75 -32.043  12.282  12.282
  591    H    ILE  76           H        ILE  76 -33.626   9.188   9.188
  592    HA   ILE  76           HA       ILE  76 -35.377   7.741   7.741
  593    HB   ILE  76           HB       ILE  76 -33.597   6.871   6.871
  594   1HG1  ILE  76          2HG1      ILE  76 -35.636   9.114   9.114
  595   2HG1  ILE  76          1HG1      ILE  76 -33.908   9.390   9.390
  596   1HG2  ILE  76          3HG2      ILE  76 -35.933   5.790   5.790
  597   2HG2  ILE  76          2HG2      ILE  76 -36.559   7.126   7.126
  598   3HG2  ILE  76          1HG2      ILE  76 -35.486   5.934   5.934
  599   1HD1  ILE  76          2HD1      ILE  76 -33.506   8.190   8.190
  600   2HD1  ILE  76          1HD1      ILE  76 -35.253   8.104   8.104
  601   3HD1  ILE  76          3HD1      ILE  76 -34.446   9.672   9.672
  602    H    THR  77           H        THR  77 -35.959   5.683   5.683
  603    HA   THR  77           HA       THR  77 -35.723   3.566   3.566
  604    HB   THR  77           HB       THR  77 -33.188   3.326   3.326
  605    HG1  THR  77           HG1      THR  77 -35.881   2.961   2.961
  606   1HG2  THR  77          1HG2      THR  77 -35.300   1.351   1.351
  607   2HG2  THR  77          3HG2      THR  77 -33.929   0.957   0.957
  608   3HG2  THR  77          2HG2      THR  77 -33.656   1.481   1.481
  609    HA   PRO  78           HA       PRO  78 -32.291   5.279   5.279
  610   1HB   PRO  78          2HB       PRO  78 -33.884   6.192   6.192
  611   2HB   PRO  78          1HB       PRO  78 -33.363   7.203   7.203
  612   1HG   PRO  78          2HG       PRO  78 -36.038   5.988   5.988
  613   2HG   PRO  78          1HG       PRO  78 -35.628   7.461   7.461
  614   1HD   PRO  78          2HD       PRO  78 -36.292   4.976   4.976
  615   2HD   PRO  78          1HD       PRO  78 -35.515   6.337   6.337
  616    H    ARG  79           H        ARG  79 -31.415   3.618   3.618
  617    HA   ARG  79           HA       ARG  79 -33.269   1.933   1.933
  618   1HB   ARG  79          2HB       ARG  79 -32.519   0.924   0.924
  619   2HB   ARG  79          1HB       ARG  79 -30.923   0.778   0.778
  620   1HG   ARG  79          2HG       ARG  79 -31.911  -0.539  -0.539
  621   2HG   ARG  79          1HG       ARG  79 -33.492  -0.423  -0.423
  622   1HD   ARG  79          2HD       ARG  79 -32.828  -2.438  -2.438
  623   2HD   ARG  79          1HD       ARG  79 -32.087  -1.370  -1.370
  624    HE   ARG  79           HE       ARG  79 -29.946  -1.633  -1.633
  625   1HH1  ARG  79          1HH2      ARG  79 -31.937  -3.034  -3.034
  626   2HH1  ARG  79          2HH2      ARG  79 -31.226  -4.614  -4.614
  627   1HH2  ARG  79          2HH1      ARG  79 -29.282  -3.998  -3.998
  628   2HH2  ARG  79          1HH1      ARG  79 -29.723  -5.159  -5.159
  629    HA   PRO  80           HA       PRO  80 -32.861   4.348   4.348
  630   1HB   PRO  80          2HB       PRO  80 -31.763   6.339   6.339
  631   2HB   PRO  80          1HB       PRO  80 -32.799   5.071   5.071
  632   1HG   PRO  80          2HG       PRO  80 -29.869   5.436   5.436
  633   2HG   PRO  80          1HG       PRO  80 -30.988   4.528   4.528
  634   1HD   PRO  80          2HD       PRO  80 -29.211   3.466   3.466
  635   2HD   PRO  80          1HD       PRO  80 -30.406   2.574   2.574
  636    H    CYS  81           H        CYS  81 -29.440   4.248   4.248
  637    HA   CYS  81           HA       CYS  81 -29.450   6.751   6.751
  638   1HB   CYS  81          2HB       CYS  81 -27.196   5.053   5.053
  639   2HB   CYS  81          1HB       CYS  81 -26.951   6.438   6.438
  640    HA   PRO  82           HA       PRO  82 -29.547   3.728   3.728
  641   1HB   PRO  82          2HB       PRO  82 -29.990   5.540   5.540
  642   2HB   PRO  82          1HB       PRO  82 -31.273   4.882   4.882
  643   1HG   PRO  82          2HG       PRO  82 -30.029   7.589   7.589
  644   2HG   PRO  82          1HG       PRO  82 -31.651   7.089   7.089
  645   1HD   PRO  82          2HD       PRO  82 -29.478   7.619   7.619
  646   2HD   PRO  82          1HD       PRO  82 -30.989   6.784   6.784
  647    H    TYR  83           H        TYR  83 -27.956   3.090   3.090
  648    HA   TYR  83           HA       TYR  83 -25.682   4.994   4.994
  649   1HB   TYR  83          2HB       TYR  83 -25.551   2.160   2.160
  650   2HB   TYR  83          1HB       TYR  83 -24.208   2.851   2.851
  651    HD1  TYR  83           HD2      TYR  83 -26.475   3.556   3.556
  652    HD2  TYR  83           HD1      TYR  83 -22.650   4.218   4.218
  653    HE1  TYR  83           HE2      TYR  83 -25.734   4.802   4.802
  654    HE2  TYR  83           HE1      TYR  83 -21.913   5.469   5.469
  655    HH   TYR  83           HH       TYR  83 -23.559   5.370   5.370
  656    H    SER  84           H        SER  84 -24.940   5.063   5.063
  657    HA   SER  84           HA       SER  84 -26.088   3.138   3.138
  658   1HB   SER  84          2HB       SER  84 -25.442   4.916   4.916
  659   2HB   SER  84          1HB       SER  84 -26.625   5.474   5.474
  660    HG   SER  84           HG       SER  84 -24.374   6.602   6.602
  661    H    SER  85           H        SER  85 -24.647   1.513   1.513
  662    HA   SER  85           HA       SER  85 -21.766   1.923   1.923
  663   1HB   SER  85          2HB       SER  85 -23.101  -0.558  -0.558
  664   2HB   SER  85          1HB       SER  85 -21.563  -0.433  -0.433
  665    HG   SER  85           HG       SER  85 -22.963  -1.071  -1.071
  666    H    ARG  86           H        ARG  86 -20.295   2.210   2.210
  667    HA   ARG  86           HA       ARG  86 -20.925   1.592   1.592
  668   1HB   ARG  86          2HB       ARG  86 -21.688   3.954   3.954
  669   2HB   ARG  86          1HB       ARG  86 -20.040   4.366   4.366
  670   1HG   ARG  86          2HG       ARG  86 -19.262   4.300   4.300
  671   2HG   ARG  86          1HG       ARG  86 -20.278   2.924   2.924
  672   1HD   ARG  86          2HD       ARG  86 -22.012   4.250   4.250
  673   2HD   ARG  86          1HD       ARG  86 -21.709   5.467   5.467
  674    HE   ARG  86           HE       ARG  86 -20.407   5.344   5.344
  675   1HH1  ARG  86          2HH1      ARG  86 -18.149   6.344   6.344
  676   2HH1  ARG  86          1HH1      ARG  86 -18.414   7.957   7.957
  677   1HH2  ARG  86          1HH2      ARG  86 -21.858   7.600   7.600
  678   2HH2  ARG  86          2HH2      ARG  86 -20.516   8.669   8.669
  679    H    THR  87           H        THR  87 -19.150   0.645   0.645
  680    HA   THR  87           HA       THR  87 -16.511   1.059   1.059
  681    HB   THR  87           HB       THR  87 -17.285  -1.144  -1.144
  682    HG1  THR  87           HG1      THR  87 -17.587  -2.371  -2.371
  683   1HG2  THR  87          2HG2      THR  87 -14.838  -0.591  -0.591
  684   2HG2  THR  87          1HG2      THR  87 -15.133  -1.088  -1.088
  685   3HG2  THR  87          3HG2      THR  87 -15.326  -2.248  -2.248
  686    H    GLU  88           H        GLU  88 -14.681   1.602   1.602
  687    HA   GLU  88           HA       GLU  88 -14.676   1.768   1.768
  688   1HB   GLU  88          2HB       GLU  88 -14.658   4.257   4.257
  689   2HB   GLU  88          1HB       GLU  88 -16.211   3.629   3.629
  690   1HG   GLU  88          2HG       GLU  88 -15.607   4.119   4.119
  691   2HG   GLU  88          1HG       GLU  88 -14.039   4.734   4.734
  692    H    THR  89           H        THR  89 -12.809   3.638   3.638
  693    HA   THR  89           HA       THR  89 -10.339   2.547   2.547
  694    HB   THR  89           HB       THR  89 -10.843   5.393   5.393
  695    HG1  THR  89           HG1      THR  89 -10.837   4.564   4.564
  696   1HG2  THR  89          2HG2      THR  89  -8.489   4.101   4.101
  697   2HG2  THR  89          1HG2      THR  89  -8.425   4.072   4.072
  698   3HG2  THR  89          3HG2      THR  89  -8.604   5.604   5.604
  699    H    ASN  90           H        ASN  90  -8.963   3.040   3.040
  700    HA   ASN  90           HA       ASN  90 -10.053   5.055   5.055
  701   1HB   ASN  90          2HB       ASN  90 -10.033   2.710   2.710
  702   2HB   ASN  90          1HB       ASN  90  -8.283   2.708   2.708
  703   1HD2  ASN  90          2HD2      ASN  90  -9.551   5.517   5.517
  704   2HD2  ASN  90          1HD2      ASN  90 -10.237   5.500   5.500
  705    H    TYR  91           H        TYR  91  -8.962   6.807   6.807
  706    HA   TYR  91           HA       TYR  91  -5.986   6.806   6.806
  707   1HB   TYR  91          2HB       TYR  91  -6.329   9.269   9.269
  708   2HB   TYR  91          1HB       TYR  91  -6.470   7.951   7.951
  709    HD1  TYR  91           HD2      TYR  91  -8.677   7.212   7.212
  710    HD2  TYR  91           HD1      TYR  91  -8.262  10.571  10.571
  711    HE1  TYR  91           HE2      TYR  91 -10.979   7.931   7.931
  712    HE2  TYR  91           HE1      TYR  91 -10.569  11.295  11.295
  713    HH   TYR  91           HH       TYR  91 -12.683  10.204  10.204
  714    H    ILE  92           H        ILE  92  -5.725   6.814   6.814
  715    HA   ILE  92           HA       ILE  92  -7.008   9.113   9.113
  716    HB   ILE  92           HB       ILE  92  -8.129   6.929   6.929
  717   1HG1  ILE  92          2HG1      ILE  92  -6.669   7.956   7.956
  718   2HG1  ILE  92          1HG1      ILE  92  -8.003   8.817   8.817
  719   1HG2  ILE  92          1HG2      ILE  92  -6.118   5.499   5.499
  720   2HG2  ILE  92          3HG2      ILE  92  -5.497   6.187   6.187
  721   3HG2  ILE  92          2HG2      ILE  92  -6.975   5.225   5.225
  722   1HD1  ILE  92          3HD1      ILE  92  -8.415   5.934   5.934
  723   2HD1  ILE  92          2HD1      ILE  92  -8.437   7.083   7.083
  724   3HD1  ILE  92          1HD1      ILE  92  -9.576   7.262   7.262
  725    H    CYS  93           H        CYS  93  -5.935   9.684   9.684
  726    HA   CYS  93           HA       CYS  93  -2.967   9.498   9.498
  727   1HB   CYS  93          2HB       CYS  93  -4.110  11.753  11.753
  728   2HB   CYS  93          1HB       CYS  93  -4.586  11.478  11.478
  729    H    VAL  94           H        VAL  94  -2.094   8.017   8.017
  730    HA   VAL  94           HA       VAL  94  -3.367   7.498   7.498
  731    HB   VAL  94           HB       VAL  94  -3.069   5.523   5.523
  732   1HG1  VAL  94          3HG1      VAL  94  -0.164   6.366   6.366
  733   2HG1  VAL  94          2HG1      VAL  94  -0.664   4.738   4.738
  734   3HG1  VAL  94          1HG1      VAL  94  -1.158   6.118   6.118
  735   1HG2  VAL  94          3HG2      VAL  94  -2.764   5.524   5.524
  736   2HG2  VAL  94          2HG2      VAL  94  -2.224   4.106   4.106
  737   3HG2  VAL  94          1HG2      VAL  94  -1.050   5.304   5.304
  738    H    LYS  95           H        LYS  95  -1.859   7.175   7.175
  739    HA   LYS  95           HA       LYS  95   0.555   8.867   8.867
  740   1HB   LYS  95          2HB       LYS  95  -1.226   9.918   9.918
  741   2HB   LYS  95          1HB       LYS  95  -1.127   8.545   8.545
  742   1HG   LYS  95          2HG       LYS  95   1.351   9.059   9.059
  743   2HG   LYS  95          1HG       LYS  95   1.044  10.561  10.561
  744   1HD   LYS  95          2HD       LYS  95  -0.863  10.142  10.142
  745   2HD   LYS  95          1HD       LYS  95   0.806  10.190  10.190
  746   1HE   LYS  95          2HE       LYS  95   1.075  12.303  12.303
  747   2HE   LYS  95          1HE       LYS  95  -0.683  12.305  12.305
  748   1HZ   LYS  95          3HZ       LYS  95   0.547  12.050  12.050
  749   2HZ   LYS  95          2HZ       LYS  95   0.478  13.581  13.581
  750   3HZ   LYS  95          1HZ       LYS  95  -0.952  12.715  12.715
  751    H    CYS  96           H        CYS  96   2.510   8.073   8.073
  752    HA   CYS  96           HA       CYS  96   2.286   5.239   5.239
  753   1HB   CYS  96          2HB       CYS  96   4.868   6.225   6.225
  754   2HB   CYS  96          1HB       CYS  96   4.137   4.627   4.627
  755    H    GLU  97           H        GLU  97   2.899   4.793   4.793
  756    HA   GLU  97           HA       GLU  97   5.114   6.310   6.310
  757   1HB   GLU  97          2HB       GLU  97   3.119   7.122   7.122
  758   2HB   GLU  97          1HB       GLU  97   2.498   5.487   5.487
  759   1HG   GLU  97          2HG       GLU  97   4.308   4.946   4.946
  760   2HG   GLU  97          1HG       GLU  97   5.091   6.495   6.495
  761    H    ASN  98           H        ASN  98   6.511   4.835   4.835
  762    HA   ASN  98           HA       ASN  98   7.544   2.698   2.698
  763   1HB   ASN  98          2HB       ASN  98   4.664   2.320   2.320
  764   2HB   ASN  98          1HB       ASN  98   5.515   0.843   0.843
  765   1HD2  ASN  98          2HD2      ASN  98   7.823   1.141   1.141
  766   2HD2  ASN  98          1HD2      ASN  98   7.876   0.810   0.810
  767    H    GLN  99           H        GLN  99   6.365   3.730   3.730
  768    HA   GLN  99           HA       GLN  99   6.630   3.138   3.138
  769   1HB   GLN  99          2HB       GLN  99   7.464   0.384   0.384
  770   2HB   GLN  99          1HB       GLN  99   7.654   1.000   1.000
  771   1HG   GLN  99          2HG       GLN  99   8.936   2.969   2.969
  772   2HG   GLN  99          1HG       GLN  99   9.141   1.763   1.763
  773   1HE2  GLN  99          2HE2      GLN  99  11.087   1.278   1.278
  774   2HE2  GLN  99          1HE2      GLN  99   9.836   2.419   2.419
  775    H    TYR 100           H        TYR 100   4.441   1.483   1.483
  776    HA   TYR 100           HA       TYR 100   2.991   0.396   0.396
  777   1HB   TYR 100          2HB       TYR 100   2.203  -1.259  -1.259
  778   2HB   TYR 100          1HB       TYR 100   3.395  -0.732  -0.732
  779    HD1  TYR 100           HD2      TYR 100  -0.145   0.131   0.131
  780    HD2  TYR 100           HD1      TYR 100   2.654  -0.300  -0.300
  781    HE1  TYR 100           HE2      TYR 100  -1.951   0.625   0.625
  782    HE2  TYR 100           HE1      TYR 100   0.848   0.197   0.197
  783    HH   TYR 100           HH       TYR 100  -2.115   1.514   1.514
  784    HA   PRO 101           HA       PRO 101   0.399   3.928   3.928
  785   1HB   PRO 101          2HB       PRO 101  -2.022   2.819   2.819
  786   2HB   PRO 101          1HB       PRO 101  -0.699   3.200   3.200
  787   1HG   PRO 101          2HG       PRO 101  -1.500   0.537   0.537
  788   2HG   PRO 101          1HG       PRO 101  -0.821   0.918   0.918
  789   1HD   PRO 101          2HD       PRO 101   0.677  -0.151  -0.151
  790   2HD   PRO 101          1HD       PRO 101   1.367   0.853   0.853
  791    H    VAL 102           H        VAL 102   0.489   4.305   4.305
  792    HA   VAL 102           HA       VAL 102  -1.272   2.848   2.848
  793    HB   VAL 102           HB       VAL 102   0.712   5.109   5.109
  794   1HG1  VAL 102          3HG1      VAL 102  -0.946   3.667   3.667
  795   2HG1  VAL 102          2HG1      VAL 102   0.494   4.611   4.611
  796   3HG1  VAL 102          1HG1      VAL 102  -0.910   5.399   5.399
  797   1HG2  VAL 102          2HG2      VAL 102   1.155   2.425   2.425
  798   2HG2  VAL 102          1HG2      VAL 102   2.258   3.517   3.517
  799   3HG2  VAL 102          3HG2      VAL 102   1.126   2.537   2.537
  800    H    HIS 103           H        HIS 103  -1.576   5.634   5.634
  801    HA   HIS 103           HA       HIS 103  -4.044   6.412   6.412
  802   1HB   HIS 103          2HB       HIS 103  -2.756   8.881   8.881
  803   2HB   HIS 103          1HB       HIS 103  -3.063   8.209   8.209
  804    HD1  HIS 103           HD1      HIS 103  -0.928   8.479   8.479
  805    HD2  HIS 103           HD2      HIS 103  -0.155   7.128   7.128
  806    HE1  HIS 103           HE1      HIS 103   1.561   7.991   7.991
  807    H    PHE 104           H        PHE 104  -5.534   7.556   7.556
  808    HA   PHE 104           HA       PHE 104  -4.614   7.388   7.388
  809   1HB   PHE 104          2HB       PHE 104  -7.080   6.579   6.579
  810   2HB   PHE 104          1HB       PHE 104  -7.459   8.114   8.114
  811    HD1  PHE 104           HD2      PHE 104  -5.183   7.878   7.878
  812    HD2  PHE 104           HD1      PHE 104  -8.253   5.174   5.174
  813    HE1  PHE 104           HE2      PHE 104  -5.015   6.729   6.729
  814    HE2  PHE 104           HE1      PHE 104  -8.117   4.002   4.002
  815    HZ   PHE 104           HZ       PHE 104  -6.503   4.780   4.780
  816    H    ALA 105           H        ALA 105  -4.046   9.247   9.247
  817    HA   ALA 105           HA       ALA 105  -4.243  11.818  11.818
  818   1HB   ALA 105          3HB       ALA 105  -2.555  10.940  10.940
  819   2HB   ALA 105          2HB       ALA 105  -3.754  11.577  11.577
  820   3HB   ALA 105          1HB       ALA 105  -2.992  12.647  12.647
  821    H    GLY 106           H        GLY 106  -6.236  10.133  10.133
  822   1HA   GLY 106          2HA       GLY 106  -8.665  10.975  10.975
  823   2HA   GLY 106          1HA       GLY 106  -7.981  12.555  12.555
  824    H    ILE 107           H        ILE 107  -9.126  12.741  12.741
  825    HA   ILE 107           HA       ILE 107  -9.353  10.822  10.822
  826    HB   ILE 107           HB       ILE 107  -9.688  12.801  12.801
  827   1HG1  ILE 107          2HG1      ILE 107  -9.244  14.444  14.444
  828   2HG1  ILE 107          1HG1      ILE 107  -7.973  14.195  14.195
  829   1HG2  ILE 107          3HG2      ILE 107 -11.396  11.790  11.790
  830   2HG2  ILE 107          2HG2      ILE 107 -11.133  13.291  13.291
  831   3HG2  ILE 107          1HG2      ILE 107 -11.765  13.340  13.340
  832   1HD1  ILE 107          3HD1      ILE 107 -10.694  15.175  15.175
  833   2HD1  ILE 107          2HD1      ILE 107  -9.480  16.301  16.301
  834   3HD1  ILE 107          1HD1      ILE 107  -9.154  15.347  15.347
  835    H    GLY 108           H        GLY 108  -8.355  11.366  11.366
  836   1HA   GLY 108          2HA       GLY 108  -5.611  10.609  10.609
  837   2HA   GLY 108          1HA       GLY 108  -6.480  11.142  11.142
  838    H    ARG 109           H        ARG 109  -7.019  13.722  13.722
  839    HA   ARG 109           HA       ARG 109  -4.663  15.123  15.123
  840   1HB   ARG 109          2HB       ARG 109  -7.330  16.035  16.035
  841   2HB   ARG 109          1HB       ARG 109  -6.023  17.186  17.186
  842   1HG   ARG 109          2HG       ARG 109  -5.859  16.463  16.463
  843   2HG   ARG 109          1HG       ARG 109  -7.108  15.247  15.247
  844   1HD   ARG 109          2HD       ARG 109  -8.422  16.940  16.940
  845   2HD   ARG 109          1HD       ARG 109  -8.472  17.380  17.380
  846    HE   ARG 109           HE       ARG 109  -6.660  19.038  19.038
  847   1HH1  ARG 109          1HH2      ARG 109  -5.896  17.990  17.990
  848   2HH1  ARG 109          2HH2      ARG 109  -6.692  19.108  19.108
  849   1HH2  ARG 109          2HH1      ARG 109  -8.806  20.340  20.340
  850   2HH2  ARG 109          1HH1      ARG 109  -8.338  20.434  20.434
  851    H    CYS 110           H        CYS 110  -2.919  15.229  15.229
  852    HA   CYS 110           HA       CYS 110  -3.256  15.951  15.951
  853   1HB   CYS 110          2HB       CYS 110  -2.077  13.603  13.603
  854   2HB   CYS 110          1HB       CYS 110  -0.789  14.541  14.541
  855    HA   PRO 111           HA       PRO 111  -0.271  19.147  19.147
  856   1HB   PRO 111          2HB       PRO 111   1.308  19.202  19.202
  857   2HB   PRO 111          1HB       PRO 111  -0.355  19.813  19.813
  858   1HG   PRO 111          2HG       PRO 111   0.695  17.293  17.293
  859   2HG   PRO 111          1HG       PRO 111  -0.718  18.255  18.255
  860   1HD   PRO 111          1HD       PRO 111  -0.770  15.863  15.863
  861   2HD   PRO 111          2HD       PRO 111  -2.111  17.016  17.016

  Start of MODEL    2
    1    HN   PCA   1           HN       PCA   1  -4.136   3.164   3.164
    2    HA   PCA   1           HA       PCA   1  -2.144   4.273   4.273
    3   1HB   PCA   1          1HB       PCA   1  -2.581   5.088   5.088
    4   2HB   PCA   1          2HB       PCA   1  -2.772   3.433   3.433
    5   1HG   PCA   1          1HG       PCA   1  -4.814   5.385   5.385
    6   2HG   PCA   1          2HG       PCA   1  -5.015   3.729   3.729
    7    H    ASN   2           H        ASN   2  -3.859   1.416   1.416
    8    HA   ASN   2           HA       ASN   2  -1.315  -0.098  -0.098
    9   1HB   ASN   2          2HB       ASN   2  -2.780  -0.308  -0.308
   10   2HB   ASN   2          1HB       ASN   2  -4.105  -0.839  -0.839
   11   1HD2  ASN   2          2HD2      ASN   2  -0.939  -3.467  -3.467
   12   2HD2  ASN   2          1HD2      ASN   2  -0.617  -1.807  -1.807
   13    H    TRP   3           H        TRP   3  -1.145  -2.146  -2.146
   14    HA   TRP   3           HA       TRP   3  -2.022  -1.996  -1.996
   15   1HB   TRP   3          2HB       TRP   3  -0.124  -3.475  -3.475
   16   2HB   TRP   3          1HB       TRP   3  -1.174  -4.669  -4.669
   17    HD1  TRP   3           HD1      TRP   3   1.928  -3.195  -3.195
   18    HE1  TRP   3           HE1      TRP   3   2.638  -3.187  -3.187
   19    HE3  TRP   3           HE3      TRP   3  -2.638  -3.831  -3.831
   20    HZ2  TRP   3           HZ2      TRP   3   1.468  -3.433  -3.433
   21    HZ3  TRP   3           HZ3      TRP   3  -2.779  -3.964  -3.964
   22    HH2  TRP   3           HH2      TRP   3  -0.730  -3.772  -3.772
   23    H    ALA   4           H        ALA   4  -3.347  -3.585  -3.585
   24    HA   ALA   4           HA       ALA   4  -4.996  -5.524  -5.524
   25   1HB   ALA   4          2HB       ALA   4  -4.300  -4.951  -4.951
   26   2HB   ALA   4          1HB       ALA   4  -6.059  -4.931  -4.931
   27   3HB   ALA   4          3HB       ALA   4  -5.163  -6.357  -6.357
   28    H    THR   5           H        THR   5  -5.982  -2.702  -2.702
   29    HA   THR   5           HA       THR   5  -8.659  -2.588  -2.588
   30    HB   THR   5           HB       THR   5  -7.071  -0.202  -0.202
   31    HG1  THR   5           HG1      THR   5  -6.750  -1.600  -1.600
   32   1HG2  THR   5          1HG2      THR   5  -9.806  -0.660  -0.660
   33   2HG2  THR   5          3HG2      THR   5  -9.725  -0.388  -0.388
   34   3HG2  THR   5          2HG2      THR   5  -9.068   0.812   0.812
   35    H    PHE   6           H        PHE   6  -5.591  -1.304  -1.304
   36    HA   PHE   6           HA       PHE   6  -6.748   0.349   0.349
   37   1HB   PHE   6          2HB       PHE   6  -4.505   0.804   0.804
   38   2HB   PHE   6          1HB       PHE   6  -3.950  -0.687  -0.687
   39    HD1  PHE   6           HD2      PHE   6  -4.099  -0.947  -0.947
   40    HD2  PHE   6           HD1      PHE   6  -4.752   2.847   2.847
   41    HE1  PHE   6           HE2      PHE   6  -3.787   0.201   0.201
   42    HE2  PHE   6           HE1      PHE   6  -4.442   4.004   4.004
   43    HZ   PHE   6           HZ       PHE   6  -3.959   2.674   2.674
   44    H    GLN   7           H        GLN   7  -5.836  -2.996  -2.996
   45    HA   GLN   7           HA       GLN   7  -5.515  -3.801  -3.801
   46   1HB   GLN   7          2HB       GLN   7  -5.209  -5.330  -5.330
   47   2HB   GLN   7          1HB       GLN   7  -6.963  -5.366  -5.366
   48   1HG   GLN   7          2HG       GLN   7  -6.537  -7.276  -7.276
   49   2HG   GLN   7          1HG       GLN   7  -6.981  -6.072  -6.072
   50   1HE2  GLN   7          2HE2      GLN   7  -3.558  -7.861  -7.861
   51   2HE2  GLN   7          1HE2      GLN   7  -4.951  -8.509  -8.509
   52    H    GLN   8           H        GLN   8  -8.322  -2.990  -2.990
   53    HA   GLN   8           HA       GLN   8 -10.278  -3.735  -3.735
   54   1HB   GLN   8          2HB       GLN   8 -10.400  -2.269  -2.269
   55   2HB   GLN   8          1HB       GLN   8 -11.789  -2.300  -2.300
   56   1HG   GLN   8          2HG       GLN   8 -12.344  -4.310  -4.310
   57   2HG   GLN   8          1HG       GLN   8 -10.880  -4.972  -4.972
   58   1HE2  GLN   8          2HE2      GLN   8 -10.974  -4.186  -4.186
   59   2HE2  GLN   8          1HE2      GLN   8 -12.216  -3.617  -3.617
   60    H    LYS   9           H        LYS   9  -8.621  -0.832  -0.832
   61    HA   LYS   9           HA       LYS   9  -9.934   1.244   1.244
   62   1HB   LYS   9          2HB       LYS   9  -8.031   1.632   1.632
   63   2HB   LYS   9          1HB       LYS   9  -6.926   0.930   0.930
   64   1HG   LYS   9          2HG       LYS   9  -6.804   3.334   3.334
   65   2HG   LYS   9          1HG       LYS   9  -7.617   2.715   2.715
   66   1HD   LYS   9          2HD       LYS   9  -8.813   4.672   4.672
   67   2HD   LYS   9          1HD       LYS   9  -9.813   3.235   3.235
   68   1HE   LYS   9          2HE       LYS   9  -9.394   3.143   3.143
   69   2HE   LYS   9          1HE       LYS   9  -8.000   4.220   4.220
   70   1HZ   LYS   9          1HZ       LYS   9  -9.627   5.946   5.946
   71   2HZ   LYS   9          3HZ       LYS   9 -10.865   4.909   4.909
   72   3HZ   LYS   9          2HZ       LYS   9  -9.748   5.521   5.521
   73    H    HIS  10           H        HIS  10  -7.376  -0.803  -0.803
   74    HA   HIS  10           HA       HIS  10  -8.036   0.280   0.280
   75   1HB   HIS  10          2HB       HIS  10  -5.566  -0.667  -0.667
   76   2HB   HIS  10          1HB       HIS  10  -5.866  -1.479  -1.479
   77    HD1  HIS  10           HD1      HIS  10  -7.029   0.608   0.608
   78    HD2  HIS  10           HD2      HIS  10  -3.926   1.455   1.455
   79    HE1  HIS  10           HE1      HIS  10  -5.858   2.659   2.659
   80    H    ILE  11           H        ILE  11  -8.653  -2.584  -2.584
   81    HA   ILE  11           HA       ILE  11  -9.413  -3.913  -3.913
   82    HB   ILE  11           HB       ILE  11  -8.028  -5.388  -5.388
   83   1HG1  ILE  11          2HG1      ILE  11  -6.193  -5.386  -5.386
   84   2HG1  ILE  11          1HG1      ILE  11  -6.959  -3.843  -3.843
   85   1HG2  ILE  11          2HG2      ILE  11  -9.119  -6.056  -6.056
   86   2HG2  ILE  11          1HG2      ILE  11  -7.616  -6.844  -6.844
   87   3HG2  ILE  11          3HG2      ILE  11  -9.066  -7.033  -7.033
   88   1HD1  ILE  11          2HD1      ILE  11  -6.096  -4.543  -4.543
   89   2HD1  ILE  11          1HD1      ILE  11  -4.997  -3.781  -3.781
   90   3HD1  ILE  11          3HD1      ILE  11  -6.470  -2.952  -2.952
   91    H    ILE  12           H        ILE  12 -11.640  -3.166  -3.166
   92    HA   ILE  12           HA       ILE  12 -12.782  -5.171  -5.171
   93    HB   ILE  12           HB       ILE  12 -14.187  -2.795  -2.795
   94   1HG1  ILE  12          2HG1      ILE  12 -12.879  -3.126  -3.126
   95   2HG1  ILE  12          1HG1      ILE  12 -12.563  -1.882  -1.882
   96   1HG2  ILE  12          2HG2      ILE  12 -15.405  -4.978  -4.978
   97   2HG2  ILE  12          1HG2      ILE  12 -15.128  -4.285  -4.285
   98   3HG2  ILE  12          3HG2      ILE  12 -16.069  -3.393  -3.393
   99   1HD1  ILE  12          2HD1      ILE  12 -15.314  -1.671  -1.671
  100   2HD1  ILE  12          1HD1      ILE  12 -14.555  -1.908  -1.908
  101   3HD1  ILE  12          3HD1      ILE  12 -14.048  -0.569  -0.569
  102    H    ASN  13           H        ASN  13 -11.983  -6.570  -6.570
  103    HA   ASN  13           HA       ASN  13 -13.248  -6.488  -6.488
  104   1HB   ASN  13          2HB       ASN  13 -12.265  -8.733  -8.733
  105   2HB   ASN  13          1HB       ASN  13 -11.098  -7.596  -7.596
  106   1HD2  ASN  13          2HD2      ASN  13 -12.003 -10.927 -10.927
  107   2HD2  ASN  13          1HD2      ASN  13 -12.544 -10.662 -10.662
  108    H    THR  14           H        THR  14 -15.489  -6.259  -6.259
  109    HA   THR  14           HA       THR  14 -16.895  -8.846  -8.846
  110    HB   THR  14           HB       THR  14 -18.433  -7.764  -7.764
  111    HG1  THR  14           HG1      THR  14 -17.638  -5.725  -5.725
  112   1HG2  THR  14          1HG2      THR  14 -16.865  -9.695  -9.695
  113   2HG2  THR  14          3HG2      THR  14 -15.621  -8.536  -8.536
  114   3HG2  THR  14          2HG2      THR  14 -17.091  -8.697  -8.697
  115    HA   PRO  15           HA       PRO  15 -18.582  -5.352  -5.352
  116   1HB   PRO  15          2HB       PRO  15 -18.190  -6.558  -6.558
  117   2HB   PRO  15          1HB       PRO  15 -17.014  -5.478  -5.478
  118   1HG   PRO  15          2HG       PRO  15 -16.964  -8.455  -8.455
  119   2HG   PRO  15          1HG       PRO  15 -15.612  -7.313  -7.313
  120   1HD   PRO  15          2HD       PRO  15 -16.550  -8.894  -8.894
  121   2HD   PRO  15          1HD       PRO  15 -15.523  -7.454  -7.454
  122    H    ILE  16           H        ILE  16 -20.548  -6.126  -6.126
  123    HA   ILE  16           HA       ILE  16 -22.127  -8.001  -8.001
  124    HB   ILE  16           HB       ILE  16 -23.379  -8.564  -8.564
  125   1HG1  ILE  16          2HG1      ILE  16 -20.914  -7.318  -7.318
  126   2HG1  ILE  16          1HG1      ILE  16 -22.517  -6.583  -6.583
  127   1HG2  ILE  16          1HG2      ILE  16 -21.608  -9.996  -9.996
  128   2HG2  ILE  16          3HG2      ILE  16 -20.435  -9.277  -9.277
  129   3HG2  ILE  16          2HG2      ILE  16 -21.770 -10.240 -10.240
  130   1HD1  ILE  16          1HD1      ILE  16 -22.519  -9.382  -9.382
  131   2HD1  ILE  16          3HD1      ILE  16 -21.528  -8.329  -8.329
  132   3HD1  ILE  16          2HD1      ILE  16 -23.232  -7.957  -7.957
  133    H    ILE  17           H        ILE  17 -24.635  -7.533  -7.533
  134    HA   ILE  17           HA       ILE  17 -25.048  -4.672  -4.672
  135    HB   ILE  17           HB       ILE  17 -27.401  -6.464  -6.464
  136   1HG1  ILE  17          2HG1      ILE  17 -25.918  -8.021  -8.021
  137   2HG1  ILE  17          1HG1      ILE  17 -27.144  -7.431  -7.431
  138   1HG2  ILE  17          2HG2      ILE  17 -27.350  -4.031  -4.031
  139   2HG2  ILE  17          1HG2      ILE  17 -26.729  -4.689  -4.689
  140   3HG2  ILE  17          3HG2      ILE  17 -28.319  -5.177  -5.177
  141   1HD1  ILE  17          2HD1      ILE  17 -24.972  -5.603  -5.603
  142   2HD1  ILE  17          1HD1      ILE  17 -24.279  -7.223  -7.223
  143   3HD1  ILE  17          3HD1      ILE  17 -25.500  -6.742  -6.742
  144    H    ASN  18           H        ASN  18 -24.007  -5.351  -5.351
  145    HA   ASN  18           HA       ASN  18 -26.054  -3.976  -3.976
  146   1HB   ASN  18          2HB       ASN  18 -24.769  -6.563  -6.563
  147   2HB   ASN  18          1HB       ASN  18 -26.010  -5.625  -5.625
  148   1HD2  ASN  18          2HD2      ASN  18 -28.602  -6.659  -6.659
  149   2HD2  ASN  18          1HD2      ASN  18 -28.081  -5.276  -5.276
  150    H    CYS  19           H        CYS  19 -24.679  -2.204  -2.204
  151    HA   CYS  19           HA       CYS  19 -21.853  -2.563  -2.563
  152   1HB   CYS  19          2HB       CYS  19 -23.468   0.014   0.014
  153   2HB   CYS  19          1HB       CYS  19 -21.715  -0.145  -0.145
  154    H    ASN  20           H        ASN  20 -24.734  -2.779  -2.779
  155    HA   ASN  20           HA       ASN  20 -23.750  -1.454  -1.454
  156   1HB   ASN  20          2HB       ASN  20 -25.870  -2.527  -2.527
  157   2HB   ASN  20          1HB       ASN  20 -26.084  -1.260  -1.260
  158   1HD2  ASN  20          2HD2      ASN  20 -27.562  -3.424  -3.424
  159   2HD2  ASN  20          1HD2      ASN  20 -26.854  -1.902  -1.902
  160    H    THR  21           H        THR  21 -24.678  -4.862  -4.862
  161    HA   THR  21           HA       THR  21 -23.635  -5.937  -5.937
  162    HB   THR  21           HB       THR  21 -23.586  -7.567  -7.567
  163    HG1  THR  21           HG1      THR  21 -25.840  -7.801  -7.801
  164   1HG2  THR  21          2HG2      THR  21 -24.096  -7.972  -7.972
  165   2HG2  THR  21          1HG2      THR  21 -24.769  -9.106  -9.106
  166   3HG2  THR  21          3HG2      THR  21 -23.024  -8.866  -8.866
  167    H    ILE  22           H        ILE  22 -21.998  -4.955  -4.955
  168    HA   ILE  22           HA       ILE  22 -19.516  -6.363  -6.363
  169    HB   ILE  22           HB       ILE  22 -18.593  -5.397  -5.397
  170   1HG1  ILE  22          2HG1      ILE  22 -21.231  -3.940  -3.940
  171   2HG1  ILE  22          1HG1      ILE  22 -19.773  -3.160  -3.160
  172   1HG2  ILE  22          1HG2      ILE  22 -20.150  -7.373  -7.373
  173   2HG2  ILE  22          3HG2      ILE  22 -21.459  -6.255  -6.255
  174   3HG2  ILE  22          2HG2      ILE  22 -20.101  -6.433  -6.433
  175   1HD1  ILE  22          2HD1      ILE  22 -18.566  -3.816  -3.816
  176   2HD1  ILE  22          1HD1      ILE  22 -20.055  -4.527  -4.527
  177   3HD1  ILE  22          3HD1      ILE  22 -19.954  -2.788  -2.788
  178    H    MET  23           H        MET  23 -20.893  -3.143  -3.143
  179    HA   MET  23           HA       MET  23 -18.368  -2.063  -2.063
  180   1HB   MET  23          2HB       MET  23 -19.739  -0.871  -0.871
  181   2HB   MET  23          1HB       MET  23 -20.888  -0.494  -0.494
  182   1HG   MET  23          2HG       MET  23 -18.683   0.289   0.289
  183   2HG   MET  23          1HG       MET  23 -18.088   0.481   0.481
  184   1HE   MET  23          2HE       MET  23 -20.492   1.507   1.507
  185   2HE   MET  23          1HE       MET  23 -21.650   2.594   2.594
  186   3HE   MET  23          3HE       MET  23 -21.677   0.867   0.867
  187    H    ASP  24           H        ASP  24 -20.478  -3.915  -3.915
  188    HA   ASP  24           HA       ASP  24 -21.711  -2.310  -2.310
  189   1HB   ASP  24          2HB       ASP  24 -21.382  -5.245  -5.245
  190   2HB   ASP  24          1HB       ASP  24 -21.857  -4.752  -4.752
  191    H    ASN  25           H        ASN  25 -19.873  -1.120  -1.120
  192    HA   ASN  25           HA       ASN  25 -18.459  -2.473  -2.473
  193   1HB   ASN  25          2HB       ASN  25 -17.064  -3.020  -3.020
  194   2HB   ASN  25          1HB       ASN  25 -16.808  -1.305  -1.305
  195   1HD2  ASN  25          2HD2      ASN  25 -13.866  -1.963  -1.963
  196   2HD2  ASN  25          1HD2      ASN  25 -14.456  -1.784  -1.784
  197    H    ASN  26           H        ASN  26 -17.612  -0.982  -0.982
  198    HA   ASN  26           HA       ASN  26 -18.722   1.705   1.705
  199   1HB   ASN  26          2HB       ASN  26 -17.368   2.022   2.022
  200   2HB   ASN  26          1HB       ASN  26 -18.443   0.625   0.625
  201   1HD2  ASN  26          2HD2      ASN  26 -15.814  -1.722  -1.722
  202   2HD2  ASN  26          1HD2      ASN  26 -17.487  -1.480  -1.480
  203    H    ILE  27           H        ILE  27 -15.941   0.368   0.368
  204    HA   ILE  27           HA       ILE  27 -14.317   2.811   2.811
  205    HB   ILE  27           HB       ILE  27 -13.639   0.196   0.196
  206   1HG1  ILE  27          2HG1      ILE  27 -12.155   2.033   2.033
  207   2HG1  ILE  27          1HG1      ILE  27 -11.366   0.983   0.983
  208   1HG2  ILE  27          1HG2      ILE  27 -14.508   0.326   0.326
  209   2HG2  ILE  27          3HG2      ILE  27 -12.999   1.186   1.186
  210   3HG2  ILE  27          2HG2      ILE  27 -12.962  -0.461  -0.461
  211   1HD1  ILE  27          3HD1      ILE  27 -12.137   2.605   2.605
  212   2HD1  ILE  27          2HD1      ILE  27 -12.611   3.696   3.696
  213   3HD1  ILE  27          1HD1      ILE  27 -10.920   3.236   3.236
  214    H    TYR  28           H        TYR  28 -17.066   2.292   2.292
  215    HA   TYR  28           HA       TYR  28 -16.241   3.999   3.999
  216   1HB   TYR  28          2HB       TYR  28 -17.877   1.450   1.450
  217   2HB   TYR  28          1HB       TYR  28 -18.018   2.671   2.671
  218    HD1  TYR  28           HD2      TYR  28 -15.549   3.603   3.603
  219    HD2  TYR  28           HD1      TYR  28 -16.447  -0.300  -0.300
  220    HE1  TYR  28           HE2      TYR  28 -13.532   2.697   2.697
  221    HE2  TYR  28           HE1      TYR  28 -14.426  -1.203  -1.203
  222    HH   TYR  28           HH       TYR  28 -12.691   0.534   0.534
  223    H    ILE  29           H        ILE  29 -17.268   5.409   5.409
  224    HA   ILE  29           HA       ILE  29 -20.089   5.956   5.956
  225    HB   ILE  29           HB       ILE  29 -19.321   5.634   5.634
  226   1HG1  ILE  29          2HG1      ILE  29 -20.877   3.717   3.717
  227   2HG1  ILE  29          1HG1      ILE  29 -19.228   3.451   3.451
  228   1HG2  ILE  29          1HG2      ILE  29 -21.737   6.451   6.451
  229   2HG2  ILE  29          3HG2      ILE  29 -22.015   5.400   5.400
  230   3HG2  ILE  29          2HG2      ILE  29 -21.203   6.951   6.951
  231   1HD1  ILE  29          2HD1      ILE  29 -20.064   3.650   3.650
  232   2HD1  ILE  29          1HD1      ILE  29 -21.706   3.715   3.715
  233   3HD1  ILE  29          3HD1      ILE  29 -20.728   2.267   2.267
  234    H    VAL  30           H        VAL  30 -20.817   8.012   8.012
  235    HA   VAL  30           HA       VAL  30 -18.666  10.029  10.029
  236    HB   VAL  30           HB       VAL  30 -21.390  10.386  10.386
  237   1HG1  VAL  30          1HG1      VAL  30 -19.098  12.252  12.252
  238   2HG1  VAL  30          3HG1      VAL  30 -20.205  12.570  12.570
  239   3HG1  VAL  30          2HG1      VAL  30 -20.820  12.482  12.482
  240   1HG2  VAL  30          1HG2      VAL  30 -18.589   9.987   9.987
  241   2HG2  VAL  30          3HG2      VAL  30 -20.074   9.175   9.175
  242   3HG2  VAL  30          2HG2      VAL  30 -19.796  10.855  10.855
  243    H    GLY  31           H        GLY  31 -19.616  11.984  11.984
  244   1HA   GLY  31          2HA       GLY  31 -21.090  10.869  10.869
  245   2HA   GLY  31          1HA       GLY  31 -20.275  12.434  12.434
  246    H    GLY  32           H        GLY  32 -22.820  10.861  10.861
  247   1HA   GLY  32          2HA       GLY  32 -24.851  12.790  12.790
  248   2HA   GLY  32          1HA       GLY  32 -24.277  13.030  13.030
  249    H    GLN  33           H        GLN  33 -24.000  10.628  10.628
  250    HA   GLN  33           HA       GLN  33 -26.084   8.704   8.704
  251   1HB   GLN  33          2HB       GLN  33 -26.967  10.934  10.934
  252   2HB   GLN  33          1HB       GLN  33 -26.733   9.712   9.712
  253   1HG   GLN  33          2HG       GLN  33 -28.395   8.361   8.361
  254   2HG   GLN  33          1HG       GLN  33 -28.082   8.813   8.813
  255   1HE2  GLN  33          2HE2      GLN  33 -30.201  11.712  11.712
  256   2HE2  GLN  33          1HE2      GLN  33 -28.836  11.064  11.064
  257    H    CYS  34           H        CYS  34 -24.829   9.835   9.835
  258    HA   CYS  34           HA       CYS  34 -22.971   7.566   7.566
  259   1HB   CYS  34          2HB       CYS  34 -24.044   6.954   6.954
  260   2HB   CYS  34          1HB       CYS  34 -24.884   6.410   6.410
  261    H    LYS  35           H        LYS  35 -21.220   8.210   8.210
  262    HA   LYS  35           HA       LYS  35 -20.846  10.897  10.897
  263   1HB   LYS  35          2HB       LYS  35 -19.173   8.812   8.812
  264   2HB   LYS  35          1HB       LYS  35 -19.301   8.794   8.794
  265   1HG   LYS  35          2HG       LYS  35 -19.000  11.513  11.513
  266   2HG   LYS  35          1HG       LYS  35 -17.868  10.659  10.659
  267   1HD   LYS  35          2HD       LYS  35 -17.384   9.365   9.365
  268   2HD   LYS  35          1HD       LYS  35 -17.873  10.934  10.934
  269   1HE   LYS  35          2HE       LYS  35 -15.928  10.866  10.866
  270   2HE   LYS  35          1HE       LYS  35 -15.345  10.472  10.472
  271   1HZ   LYS  35          1HZ       LYS  35 -16.867  12.929  12.929
  272   2HZ   LYS  35          3HZ       LYS  35 -15.178  12.856  12.856
  273   3HZ   LYS  35          2HZ       LYS  35 -16.146  12.560  12.560
  274    H    ARG  36           H        ARG  36 -20.234  11.494  11.494
  275    HA   ARG  36           HA       ARG  36 -22.580  10.974  10.974
  276   1HB   ARG  36          2HB       ARG  36 -21.572  12.663  12.663
  277   2HB   ARG  36          1HB       ARG  36 -21.631  13.240  13.240
  278   1HG   ARG  36          2HG       ARG  36 -19.176  11.988  11.988
  279   2HG   ARG  36          1HG       ARG  36 -19.294  12.654  12.654
  280   1HD   ARG  36          2HD       ARG  36 -18.564  14.586  14.586
  281   2HD   ARG  36          1HD       ARG  36 -20.202  14.745  14.745
  282    HE   ARG  36           HE       ARG  36 -18.675  13.124  13.124
  283   1HH1  ARG  36          2HH1      ARG  36 -20.292  15.252  15.252
  284   2HH1  ARG  36          1HH1      ARG  36 -19.143  16.468  16.468
  285   1HH2  ARG  36          1HH2      ARG  36 -16.605  15.169  15.169
  286   2HH2  ARG  36          2HH2      ARG  36 -17.055  16.419  16.419
  287    H    VAL  37           H        VAL  37 -19.608   9.355   9.355
  288    HA   VAL  37           HA       VAL  37 -20.133   7.785   7.785
  289    HB   VAL  37           HB       VAL  37 -19.019   9.793   9.793
  290   1HG1  VAL  37          3HG1      VAL  37 -17.511  10.110  10.110
  291   2HG1  VAL  37          2HG1      VAL  37 -16.480   8.884   8.884
  292   3HG1  VAL  37          1HG1      VAL  37 -16.796  10.396  10.396
  293   1HG2  VAL  37          2HG2      VAL  37 -17.643   7.102   7.102
  294   2HG2  VAL  37          1HG2      VAL  37 -18.791   7.773   7.773
  295   3HG2  VAL  37          3HG2      VAL  37 -17.156   8.427   8.427
  296    H    ASN  38           H        ASN  38 -19.799   5.820   5.820
  297    HA   ASN  38           HA       ASN  38 -17.566   5.238   5.238
  298   1HB   ASN  38          2HB       ASN  38 -19.778   3.353   3.353
  299   2HB   ASN  38          1HB       ASN  38 -18.629   3.065   3.065
  300   1HD2  ASN  38          2HD2      ASN  38 -21.968   4.459   4.459
  301   2HD2  ASN  38          1HD2      ASN  38 -21.640   3.242   3.242
  302    H    THR  39           H        THR  39 -15.997   5.605   5.605
  303    HA   THR  39           HA       THR  39 -16.044   4.035   4.035
  304    HB   THR  39           HB       THR  39 -13.740   5.668   5.668
  305    HG1  THR  39           HG1      THR  39 -14.825   7.398   7.398
  306   1HG2  THR  39          3HG2      THR  39 -13.513   4.117   4.117
  307   2HG2  THR  39          2HG2      THR  39 -14.616   5.223   5.223
  308   3HG2  THR  39          1HG2      THR  39 -13.057   5.806   5.806
  309    H    PHE  40           H        PHE  40 -15.464   2.006   2.006
  310    HA   PHE  40           HA       PHE  40 -13.378   0.902   0.902
  311   1HB   PHE  40          2HB       PHE  40 -15.336  -0.587  -0.587
  312   2HB   PHE  40          1HB       PHE  40 -14.362  -1.268  -1.268
  313    HD1  PHE  40           HD1      PHE  40 -14.664   0.550   0.550
  314    HD2  PHE  40           HD2      PHE  40 -17.586  -0.672  -0.672
  315    HE1  PHE  40           HE1      PHE  40 -16.480   1.045   1.045
  316    HE2  PHE  40           HE2      PHE  40 -19.399  -0.175  -0.175
  317    HZ   PHE  40           HZ       PHE  40 -18.846   0.683   0.683
  318    H    ILE  41           H        ILE  41 -11.751  -0.648  -0.648
  319    HA   ILE  41           HA       ILE  41 -11.411   0.149   0.149
  320    HB   ILE  41           HB       ILE  41  -9.228  -0.147  -0.147
  321   1HG1  ILE  41          2HG1      ILE  41  -8.998   2.362   2.362
  322   2HG1  ILE  41          1HG1      ILE  41 -10.737   2.137   2.137
  323   1HG2  ILE  41          3HG2      ILE  41  -9.216   0.087   0.087
  324   2HG2  ILE  41          2HG2      ILE  41  -7.986   0.978   0.978
  325   3HG2  ILE  41          1HG2      ILE  41  -8.100  -0.774  -0.774
  326   1HD1  ILE  41          3HD1      ILE  41 -10.531   1.200   1.200
  327   2HD1  ILE  41          2HD1      ILE  41  -9.107   2.242   2.242
  328   3HD1  ILE  41          1HD1      ILE  41 -10.698   2.925   2.925
  329    H    ILE  42           H        ILE  42 -11.316  -1.527  -1.527
  330    HA   ILE  42           HA       ILE  42 -11.042  -4.295  -4.295
  331    HB   ILE  42           HB       ILE  42 -11.401  -3.659  -3.659
  332   1HG1  ILE  42          2HG1      ILE  42 -13.714  -3.856  -3.856
  333   2HG1  ILE  42          1HG1      ILE  42 -13.073  -2.310  -2.310
  334   1HG2  ILE  42          2HG2      ILE  42 -12.326  -5.876  -5.876
  335   2HG2  ILE  42          1HG2      ILE  42 -12.733  -5.767  -5.767
  336   3HG2  ILE  42          3HG2      ILE  42 -11.054  -5.979  -5.979
  337   1HD1  ILE  42          1HD1      ILE  42 -13.341  -3.445  -3.445
  338   2HD1  ILE  42          3HD1      ILE  42 -14.549  -4.410  -4.410
  339   3HD1  ILE  42          2HD1      ILE  42 -14.709  -2.654  -2.654
  340    H    SER  43           H        SER  43  -8.946  -4.877  -4.877
  341    HA   SER  43           HA       SER  43  -7.160  -5.268  -5.268
  342   1HB   SER  43          2HB       SER  43  -6.978  -2.815  -2.815
  343   2HB   SER  43          1HB       SER  43  -6.580  -2.779  -2.779
  344    HG   SER  43           HG       SER  43  -4.607  -3.310  -3.310
  345    H    SER  44           H        SER  44  -5.215  -6.289  -6.289
  346    HA   SER  44           HA       SER  44  -5.301  -7.632  -7.632
  347   1HB   SER  44          2HB       SER  44  -2.904  -8.313  -8.313
  348   2HB   SER  44          1HB       SER  44  -4.202  -8.804  -8.804
  349    HG   SER  44           HG       SER  44  -2.983  -7.803  -7.803
  350    H    ALA  45           H        ALA  45  -4.506  -6.945  -6.945
  351    HA   ALA  45           HA       ALA  45  -3.748  -4.324  -4.324
  352   1HB   ALA  45          1HB       ALA  45  -3.107  -6.909  -6.909
  353   2HB   ALA  45          3HB       ALA  45  -2.706  -5.331  -5.331
  354   3HB   ALA  45          2HB       ALA  45  -4.388  -5.758  -5.758
  355    H    THR  46           H        THR  46  -1.711  -6.905  -6.905
  356    HA   THR  46           HA       THR  46   0.770  -5.520  -5.520
  357    HB   THR  46           HB       THR  46   0.753  -7.912  -7.912
  358    HG1  THR  46           HG1      THR  46   2.733  -7.386  -7.386
  359   1HG2  THR  46          2HG2      THR  46  -0.470  -7.565  -7.565
  360   2HG2  THR  46          1HG2      THR  46   0.759  -8.824  -8.824
  361   3HG2  THR  46          3HG2      THR  46  -0.635  -8.893  -8.893
  362    H    THR  47           H        THR  47  -1.229  -5.768  -5.768
  363    HA   THR  47           HA       THR  47   0.694  -4.623  -4.623
  364    HB   THR  47           HB       THR  47  -1.479  -3.784  -3.784
  365    HG1  THR  47           HG1      THR  47  -3.328  -4.758  -4.758
  366   1HG2  THR  47          2HG2      THR  47  -0.539  -6.584  -6.584
  367   2HG2  THR  47          1HG2      THR  47  -2.038  -6.339  -6.339
  368   3HG2  THR  47          3HG2      THR  47  -0.536  -5.612  -5.612
  369    H    VAL  48           H        VAL  48  -1.656  -3.326  -3.326
  370    HA   VAL  48           HA       VAL  48  -1.276  -0.536  -0.536
  371    HB   VAL  48           HB       VAL  48  -2.117  -1.778  -1.778
  372   1HG1  VAL  48          1HG1      VAL  48  -1.512   0.868   0.868
  373   2HG1  VAL  48          3HG1      VAL  48  -3.269   0.798   0.798
  374   3HG1  VAL  48          2HG1      VAL  48  -2.492   0.317   0.317
  375   1HG2  VAL  48          2HG2      VAL  48  -3.536  -1.362  -1.362
  376   2HG2  VAL  48          1HG2      VAL  48  -3.818  -2.566  -2.566
  377   3HG2  VAL  48          3HG2      VAL  48  -4.420  -0.920  -0.920
  378    H    LYS  49           H        LYS  49   0.287  -2.893  -2.893
  379    HA   LYS  49           HA       LYS  49   1.921  -1.171  -1.171
  380   1HB   LYS  49          2HB       LYS  49   1.567  -3.684  -3.684
  381   2HB   LYS  49          1HB       LYS  49   2.756  -3.913  -3.913
  382   1HG   LYS  49          2HG       LYS  49   4.144  -2.200  -2.200
  383   2HG   LYS  49          1HG       LYS  49   3.136  -2.920  -2.920
  384   1HD   LYS  49          2HD       LYS  49   4.836  -4.470  -4.470
  385   2HD   LYS  49          1HD       LYS  49   3.865  -5.169  -5.169
  386   1HE   LYS  49          2HE       LYS  49   5.794  -5.042  -5.042
  387   2HE   LYS  49          1HE       LYS  49   5.355  -3.345  -3.345
  388   1HZ   LYS  49          1HZ       LYS  49   7.052  -4.440  -4.440
  389   2HZ   LYS  49          3HZ       LYS  49   7.627  -3.625  -3.625
  390   3HZ   LYS  49          2HZ       LYS  49   6.662  -2.804  -2.804
  391    H    ALA  50           H        ALA  50   2.138  -2.122  -2.122
  392    HA   ALA  50           HA       ALA  50   4.950  -1.366  -1.366
  393   1HB   ALA  50          3HB       ALA  50   2.885  -2.614  -2.614
  394   2HB   ALA  50          2HB       ALA  50   3.867  -1.447  -1.447
  395   3HB   ALA  50          1HB       ALA  50   4.637  -2.795  -2.795
  396    H    ILE  51           H        ILE  51   1.758   0.107   0.107
  397    HA   ILE  51           HA       ILE  51   2.794   2.409   2.409
  398    HB   ILE  51           HB       ILE  51   0.404   1.633   1.633
  399   1HG1  ILE  51          2HG1      ILE  51  -0.521   4.040   4.040
  400   2HG1  ILE  51          1HG1      ILE  51   1.134   4.486   4.486
  401   1HG2  ILE  51          3HG2      ILE  51   0.621   2.181   2.181
  402   2HG2  ILE  51          2HG2      ILE  51  -0.719   3.065   3.065
  403   3HG2  ILE  51          1HG2      ILE  51  -0.633   1.314   1.314
  404   1HD1  ILE  51          2HD1      ILE  51   0.292   3.024   3.024
  405   2HD1  ILE  51          1HD1      ILE  51   0.693   4.739   4.739
  406   3HD1  ILE  51          3HD1      ILE  51   1.934   3.525   3.525
  407    H    CYS  52           H        CYS  52   2.757   1.594   1.594
  408    HA   CYS  52           HA       CYS  52   3.347   4.415   4.415
  409   1HB   CYS  52          2HB       CYS  52   1.624   2.528   2.528
  410   2HB   CYS  52          1HB       CYS  52   3.011   2.565   2.565
  411    H    THR  53           H        THR  53   5.228   2.299   2.299
  412    HA   THR  53           HA       THR  53   7.127   1.791   1.791
  413    HB   THR  53           HB       THR  53   7.558   1.315   1.315
  414    HG1  THR  53           HG1      THR  53   6.870  -0.840  -0.840
  415   1HG2  THR  53          1HG2      THR  53   9.458   1.274   1.274
  416   2HG2  THR  53          3HG2      THR  53   8.706  -0.226  -0.226
  417   3HG2  THR  53          2HG2      THR  53   9.316  -0.094  -0.094
  418    H    GLY  54           H        GLY  54   8.361   3.482   3.482
  419   1HA   GLY  54          2HA       GLY  54  10.003   4.946   4.946
  420   2HA   GLY  54          1HA       GLY  54   8.804   5.950   5.950
  421    H    VAL  55           H        VAL  55   8.808   5.544   5.544
  422    HA   VAL  55           HA       VAL  55  11.358   4.803   4.803
  423    HB   VAL  55           HB       VAL  55  11.599   7.176   7.176
  424   1HG1  VAL  55          3HG1      VAL  55   9.383   7.896   7.896
  425   2HG1  VAL  55          2HG1      VAL  55  10.421   8.153   8.153
  426   3HG1  VAL  55          1HG1      VAL  55  10.724   9.034   9.034
  427   1HG2  VAL  55          2HG2      VAL  55  12.784   5.916   5.916
  428   2HG2  VAL  55          1HG2      VAL  55  13.422   7.294   7.294
  429   3HG2  VAL  55          3HG2      VAL  55  12.454   7.558   7.558
  430    H    ILE  56           H        ILE  56  11.009   6.152   6.152
  431    HA   ILE  56           HA       ILE  56   8.626   4.705   4.705
  432    HB   ILE  56           HB       ILE  56  10.914   4.540   4.540
  433   1HG1  ILE  56          2HG1      ILE  56   8.724   5.530   5.530
  434   2HG1  ILE  56          1HG1      ILE  56   8.751   3.923   3.923
  435   1HG2  ILE  56          2HG2      ILE  56  10.941   7.258   7.258
  436   2HG2  ILE  56          1HG2      ILE  56  10.410   7.011   7.011
  437   3HG2  ILE  56          3HG2      ILE  56  11.933   6.314   6.314
  438   1HD1  ILE  56          2HD1      ILE  56  11.320   4.302   4.302
  439   2HD1  ILE  56          1HD1      ILE  56  10.177   4.882   4.882
  440   3HD1  ILE  56          3HD1      ILE  56  10.048   3.236   3.236
  441    H    ASN  57           H        ASN  57   8.341   7.256   7.256
  442    HA   ASN  57           HA       ASN  57   6.145   8.493   8.493
  443   1HB   ASN  57          2HB       ASN  57   8.124   9.224   9.224
  444   2HB   ASN  57          1HB       ASN  57   8.549  10.295  10.295
  445   1HD2  ASN  57          2HD2      ASN  57   5.714  11.516  11.516
  446   2HD2  ASN  57          1HD2      ASN  57   6.905  10.366  10.366
  447    H    MET  58           H        MET  58   5.175   9.164   9.164
  448    HA   MET  58           HA       MET  58   6.545  11.069  11.069
  449   1HB   MET  58          2HB       MET  58   6.490   8.184   8.184
  450   2HB   MET  58          1HB       MET  58   5.956   9.237   9.237
  451   1HG   MET  58          2HG       MET  58   8.285  10.408  10.408
  452   2HG   MET  58          1HG       MET  58   8.625   8.716   8.716
  453   1HE   MET  58          2HE       MET  58   9.635   8.119   8.119
  454   2HE   MET  58          1HE       MET  58   9.398   8.395   8.395
  455   3HE   MET  58          3HE       MET  58  10.462   9.458   9.458
  456    H    ASN  59           H        ASN  59   5.205  11.320  11.320
  457    HA   ASN  59           HA       ASN  59   2.267  11.012  11.012
  458   1HB   ASN  59          2HB       ASN  59   3.092  13.353  13.353
  459   2HB   ASN  59          1HB       ASN  59   3.582  13.519  13.519
  460   1HD2  ASN  59          2HD2      ASN  59  -0.315  13.949  13.949
  461   2HD2  ASN  59          1HD2      ASN  59   0.878  13.655  13.655
  462    H    VAL  60           H        VAL  60   1.656   9.683   9.683
  463    HA   VAL  60           HA       VAL  60   2.774  10.246  10.246
  464    HB   VAL  60           HB       VAL  60   3.875   8.268   8.268
  465   1HG1  VAL  60          3HG1      VAL  60   1.759   7.687   7.687
  466   2HG1  VAL  60          2HG1      VAL  60   1.196   6.882   6.882
  467   3HG1  VAL  60          1HG1      VAL  60   2.679   6.344   6.344
  468   1HG2  VAL  60          2HG2      VAL  60   3.183   8.473   8.473
  469   2HG2  VAL  60          1HG2      VAL  60   3.751   6.918   6.918
  470   3HG2  VAL  60          3HG2      VAL  60   2.025   7.205   7.205
  471    H    LEU  61           H        LEU  61   1.323   9.185   9.185
  472    HA   LEU  61           HA       LEU  61  -1.523   9.092   9.092
  473   1HB   LEU  61          2HB       LEU  61  -0.324  10.696  10.696
  474   2HB   LEU  61          1HB       LEU  61  -2.034  10.273  10.273
  475    HG   LEU  61           HG       LEU  61  -1.564  11.242  11.242
  476   1HD1  LEU  61          1HD1      LEU  61   0.650  12.057  12.057
  477   2HD1  LEU  61          3HD1      LEU  61  -0.437  13.383  13.383
  478   3HD1  LEU  61          2HD1      LEU  61  -0.109  13.010  13.010
  479   1HD2  LEU  61          2HD2      LEU  61  -2.737  12.392  12.392
  480   2HD2  LEU  61          1HD2      LEU  61  -3.565  11.841  11.841
  481   3HD2  LEU  61          3HD2      LEU  61  -2.683  13.367  13.367
  482    H    SER  62           H        SER  62  -2.590   7.361   7.361
  483    HA   SER  62           HA       SER  62  -1.396   5.342   5.342
  484   1HB   SER  62          2HB       SER  62  -4.367   5.539   5.539
  485   2HB   SER  62          1HB       SER  62  -3.323   4.154   4.154
  486    HG   SER  62           HG       SER  62  -3.717   4.536   4.536
  487    H    THR  63           H        THR  63  -0.695   6.293   6.293
  488    HA   THR  63           HA       THR  63  -2.493   8.007   8.007
  489    HB   THR  63           HB       THR  63  -0.506   7.744   7.744
  490    HG1  THR  63           HG1      THR  63   1.419   7.203   7.203
  491   1HG2  THR  63          3HG2      THR  63  -0.697   9.242   9.242
  492   2HG2  THR  63          2HG2      THR  63   0.870   9.250   9.250
  493   3HG2  THR  63          1HG2      THR  63  -0.559   9.846   9.846
  494    H    THR  64           H        THR  64  -1.027   4.773   4.773
  495    HA   THR  64           HA       THR  64  -2.049   4.144   4.144
  496    HB   THR  64           HB       THR  64  -1.639   2.301   2.301
  497    HG1  THR  64           HG1      THR  64   0.390   2.290   2.290
  498   1HG2  THR  64          1HG2      THR  64  -2.432   1.829   1.829
  499   2HG2  THR  64          3HG2      THR  64  -1.127   0.807   0.807
  500   3HG2  THR  64          2HG2      THR  64  -2.688   0.823   0.823
  501    H    ARG  65           H        ARG  65  -3.581   2.185   2.185
  502    HA   ARG  65           HA       ARG  65  -6.125   3.364   3.364
  503   1HB   ARG  65          2HB       ARG  65  -7.429   2.004   2.004
  504   2HB   ARG  65          1HB       ARG  65  -6.352   3.162   3.162
  505   1HG   ARG  65          2HG       ARG  65  -4.802   0.835   0.835
  506   2HG   ARG  65          1HG       ARG  65  -6.377   0.266   0.266
  507   1HD   ARG  65          2HD       ARG  65  -5.975   2.406   2.406
  508   2HD   ARG  65          1HD       ARG  65  -4.327   1.812   1.812
  509    HE   ARG  65           HE       ARG  65  -6.356  -0.225  -0.225
  510   1HH1  ARG  65          1HH2      ARG  65  -3.196   0.352   0.352
  511   2HH1  ARG  65          2HH2      ARG  65  -3.143   0.206   0.206
  512   1HH2  ARG  65          2HH1      ARG  65  -6.594   0.248   0.248
  513   2HH2  ARG  65          1HH1      ARG  65  -5.072   0.143   0.143
  514    H    PHE  66           H        PHE  66  -6.241   2.412   2.412
  515    HA   PHE  66           HA       PHE  66  -5.866  -0.549  -0.549
  516   1HB   PHE  66          2HB       PHE  66  -6.089   1.661   1.661
  517   2HB   PHE  66          1HB       PHE  66  -6.035  -0.049  -0.049
  518    HD1  PHE  66           HD1      PHE  66  -4.128   2.713   2.713
  519    HD2  PHE  66           HD2      PHE  66  -3.966  -1.299  -1.299
  520    HE1  PHE  66           HE1      PHE  66  -1.663   2.711   2.711
  521    HE2  PHE  66           HE2      PHE  66  -1.503  -1.279  -1.279
  522    HZ   PHE  66           HZ       PHE  66  -0.353   0.719   0.719
  523    H    GLN  67           H        GLN  67  -8.138   0.168   0.168
  524    HA   GLN  67           HA       GLN  67 -10.549   0.363   0.363
  525   1HB   GLN  67          2HB       GLN  67  -9.578  -2.381  -2.381
  526   2HB   GLN  67          1HB       GLN  67 -11.297  -2.063  -2.063
  527   1HG   GLN  67          2HG       GLN  67  -9.151  -1.391  -1.391
  528   2HG   GLN  67          1HG       GLN  67 -10.139  -2.851  -2.851
  529   1HE2  GLN  67          2HE2      GLN  67 -11.639   0.312   0.312
  530   2HE2  GLN  67          1HE2      GLN  67  -9.991  -0.046  -0.046
  531    H    LEU  68           H        LEU  68 -11.705   1.597   1.597
  532    HA   LEU  68           HA       LEU  68 -11.840   0.587   0.587
  533   1HB   LEU  68          2HB       LEU  68 -13.057   2.834   2.834
  534   2HB   LEU  68          1HB       LEU  68 -11.328   2.854   2.854
  535    HG   LEU  68           HG       LEU  68 -11.630   3.624   3.624
  536   1HD1  LEU  68          3HD1      LEU  68 -14.539   2.969   2.969
  537   2HD1  LEU  68          2HD1      LEU  68 -14.044   4.091   4.091
  538   3HD1  LEU  68          1HD1      LEU  68 -13.498   2.416   2.416
  539   1HD2  LEU  68          3HD2      LEU  68 -12.102   5.185   5.185
  540   2HD2  LEU  68          2HD2      LEU  68 -12.476   5.769   5.769
  541   3HD2  LEU  68          1HD2      LEU  68 -13.762   5.152   5.152
  542    H    ASN  69           H        ASN  69 -13.778   0.400   0.400
  543    HA   ASN  69           HA       ASN  69 -16.260  -0.057  -0.057
  544   1HB   ASN  69          2HB       ASN  69 -15.124  -2.053  -2.053
  545   2HB   ASN  69          1HB       ASN  69 -15.856  -1.265  -1.265
  546   1HD2  ASN  69          2HD2      ASN  69 -18.296  -3.004  -3.004
  547   2HD2  ASN  69          1HD2      ASN  69 -16.693  -2.626  -2.626
  548    H    THR  70           H        THR  70 -17.238   1.992   1.992
  549    HA   THR  70           HA       THR  70 -17.143   3.108   3.108
  550    HB   THR  70           HB       THR  70 -18.005   4.572   4.572
  551    HG1  THR  70           HG1      THR  70 -15.972   4.832   4.832
  552   1HG2  THR  70          1HG2      THR  70 -18.498   5.491   5.491
  553   2HG2  THR  70          3HG2      THR  70 -16.760   5.539   5.539
  554   3HG2  THR  70          2HG2      THR  70 -17.472   6.526   6.526
  555    H    CYS  71           H        CYS  71 -18.830   2.994   2.994
  556    HA   CYS  71           HA       CYS  71 -21.588   2.742   2.742
  557   1HB   CYS  71          2HB       CYS  71 -20.636   2.416   2.416
  558   2HB   CYS  71          1HB       CYS  71 -22.294   2.214   2.214
  559    H    THR  72           H        THR  72 -22.140   4.858   4.858
  560    HA   THR  72           HA       THR  72 -21.196   7.004   7.004
  561    HB   THR  72           HB       THR  72 -22.617   7.423   7.423
  562    HG1  THR  72           HG1      THR  72 -20.921   6.026   6.026
  563   1HG2  THR  72          2HG2      THR  72 -20.779   9.007   9.007
  564   2HG2  THR  72          1HG2      THR  72 -20.883   9.372   9.372
  565   3HG2  THR  72          3HG2      THR  72 -22.322   9.485   9.485
  566    H    ARG  73           H        ARG  73 -22.510   8.371   8.371
  567    HA   ARG  73           HA       ARG  73 -25.144   7.618   7.618
  568   1HB   ARG  73          2HB       ARG  73 -23.647   9.065   9.065
  569   2HB   ARG  73          1HB       ARG  73 -23.811  10.341  10.341
  570   1HG   ARG  73          2HG       ARG  73 -26.359  10.128  10.128
  571   2HG   ARG  73          1HG       ARG  73 -25.915   9.244   9.244
  572   1HD   ARG  73          2HD       ARG  73 -25.242  11.130  11.130
  573   2HD   ARG  73          1HD       ARG  73 -24.394  11.738  11.738
  574    HE   ARG  73           HE       ARG  73 -27.361  11.992  11.992
  575   1HH1  ARG  73          1HH2      ARG  73 -24.991  12.765  12.765
  576   2HH1  ARG  73          2HH2      ARG  73 -25.199  14.484  14.484
  577   1HH2  ARG  73          1HH1      ARG  73 -26.520  15.412  15.412
  578   2HH2  ARG  73          2HH1      ARG  73 -27.316  14.402  14.402
  579    H    THR  74           H        THR  74 -27.121   8.081   8.081
  580    HA   THR  74           HA       THR  74 -27.189  10.042  10.042
  581    HB   THR  74           HB       THR  74 -29.050   8.446   8.446
  582    HG1  THR  74           HG1      THR  74 -28.638   6.277   6.277
  583   1HG2  THR  74          1HG2      THR  74 -26.076   8.005   8.005
  584   2HG2  THR  74          3HG2      THR  74 -27.149   6.909   6.909
  585   3HG2  THR  74          2HG2      THR  74 -27.134   8.628   8.628
  586    H    SER  75           H        SER  75 -30.065   8.274   8.274
  587    HA   SER  75           HA       SER  75 -30.980  10.202  10.202
  588   1HB   SER  75          2HB       SER  75 -32.847  11.080  11.080
  589   2HB   SER  75          1HB       SER  75 -31.237  11.760  11.760
  590    HG   SER  75           HG       SER  75 -32.376   9.624   9.624
  591    H    ILE  76           H        ILE  76 -32.304   8.988   8.988
  592    HA   ILE  76           HA       ILE  76 -34.453   7.379   7.379
  593    HB   ILE  76           HB       ILE  76 -32.462   5.846   5.846
  594   1HG1  ILE  76          2HG1      ILE  76 -34.260   4.730   4.730
  595   2HG1  ILE  76          1HG1      ILE  76 -35.027   5.287   5.287
  596   1HG2  ILE  76          3HG2      ILE  76 -31.674   6.960   6.960
  597   2HG2  ILE  76          2HG2      ILE  76 -32.659   5.685   5.685
  598   3HG2  ILE  76          1HG2      ILE  76 -31.309   5.270   5.270
  599   1HD1  ILE  76          1HD1      ILE  76 -32.613   3.757   3.757
  600   2HD1  ILE  76          3HD1      ILE  76 -33.760   2.819   2.819
  601   3HD1  ILE  76          2HD1      ILE  76 -34.257   3.510   3.510
  602    H    THR  77           H        THR  77 -36.154   7.067   7.067
  603    HA   THR  77           HA       THR  77 -36.084   8.786   8.786
  604    HB   THR  77           HB       THR  77 -38.485   7.234   7.234
  605    HG1  THR  77           HG1      THR  77 -37.804   8.285   8.285
  606   1HG2  THR  77          3HG2      THR  77 -37.813   9.790   9.790
  607   2HG2  THR  77          2HG2      THR  77 -38.439   9.949   9.949
  608   3HG2  THR  77          1HG2      THR  77 -39.467   9.295   9.295
  609    HA   PRO  78           HA       PRO  78 -36.706   4.687   4.687
  610   1HB   PRO  78          2HB       PRO  78 -36.505   2.319   2.319
  611   2HB   PRO  78          1HB       PRO  78 -38.031   3.177   3.177
  612   1HG   PRO  78          2HG       PRO  78 -36.391   2.993   2.993
  613   2HG   PRO  78          1HG       PRO  78 -38.138   3.228   3.228
  614   1HD   PRO  78          2HD       PRO  78 -36.280   5.249   5.249
  615   2HD   PRO  78          1HD       PRO  78 -37.935   5.514   5.514
  616    H    ARG  79           H        ARG  79 -35.202   2.690   2.690
  617    HA   ARG  79           HA       ARG  79 -32.406   3.537   3.537
  618   1HB   ARG  79          2HB       ARG  79 -33.780   2.063   2.063
  619   2HB   ARG  79          1HB       ARG  79 -32.051   1.824   1.824
  620   1HG   ARG  79          2HG       ARG  79 -31.529   3.930   3.930
  621   2HG   ARG  79          1HG       ARG  79 -32.941   4.646   4.646
  622   1HD   ARG  79          2HD       ARG  79 -33.797   2.920   2.920
  623   2HD   ARG  79          1HD       ARG  79 -32.602   4.071   4.071
  624    HE   ARG  79           HE       ARG  79 -35.256   4.751   4.751
  625   1HH1  ARG  79          1HH2      ARG  79 -32.614   6.410   6.410
  626   2HH1  ARG  79          2HH2      ARG  79 -32.861   7.746   7.746
  627   1HH2  ARG  79          2HH1      ARG  79 -35.383   6.189   6.189
  628   2HH2  ARG  79          1HH1      ARG  79 -34.426   7.623   7.623
  629    HA   PRO  80           HA       PRO  80 -30.453   2.227   2.227
  630   1HB   PRO  80          2HB       PRO  80 -28.225   1.609   1.609
  631   2HB   PRO  80          1HB       PRO  80 -28.900   0.546   0.546
  632   1HG   PRO  80          2HG       PRO  80 -29.067   0.301   0.301
  633   2HG   PRO  80          1HG       PRO  80 -29.072  -0.970  -0.970
  634   1HD   PRO  80          2HD       PRO  80 -31.343  -0.013  -0.013
  635   2HD   PRO  80          1HD       PRO  80 -31.362  -0.944  -0.944
  636    H    CYS  81           H        CYS  81 -28.424   3.700   3.700
  637    HA   CYS  81           HA       CYS  81 -29.565   5.950   5.950
  638   1HB   CYS  81          2HB       CYS  81 -26.759   4.964   4.964
  639   2HB   CYS  81          1HB       CYS  81 -27.024   6.350   6.350
  640    HA   PRO  82           HA       PRO  82 -29.714   4.838   4.838
  641   1HB   PRO  82          2HB       PRO  82 -29.223   7.233   7.233
  642   2HB   PRO  82          1HB       PRO  82 -30.764   6.832   6.832
  643   1HG   PRO  82          2HG       PRO  82 -28.591   8.639   8.639
  644   2HG   PRO  82          1HG       PRO  82 -30.331   8.703   8.703
  645   1HD   PRO  82          2HD       PRO  82 -28.377   7.737   7.737
  646   2HD   PRO  82          1HD       PRO  82 -30.122   7.439   7.439
  647    H    TYR  83           H        TYR  83 -28.206   3.790   3.790
  648    HA   TYR  83           HA       TYR  83 -25.595   5.088   5.088
  649   1HB   TYR  83          2HB       TYR  83 -25.914   2.558   2.558
  650   2HB   TYR  83          1HB       TYR  83 -24.521   2.754   2.754
  651    HD1  TYR  83           HD1      TYR  83 -26.354   4.274   4.274
  652    HD2  TYR  83           HD2      TYR  83 -22.745   4.195   4.195
  653    HE1  TYR  83           HE1      TYR  83 -25.239   5.727   5.727
  654    HE2  TYR  83           HE2      TYR  83 -21.642   5.646   5.646
  655    HH   TYR  83           HH       TYR  83 -21.810   6.379   6.379
  656    H    SER  84           H        SER  84 -24.864   4.577   4.577
  657    HA   SER  84           HA       SER  84 -26.211   2.316   2.316
  658   1HB   SER  84          2HB       SER  84 -26.783   4.825   4.825
  659   2HB   SER  84          1HB       SER  84 -25.206   4.762   4.762
  660    HG   SER  84           HG       SER  84 -26.063   3.565   3.565
  661    H    SER  85           H        SER  85 -24.784   0.884   0.884
  662    HA   SER  85           HA       SER  85 -21.923   1.285   1.285
  663   1HB   SER  85          2HB       SER  85 -23.207  -1.003  -1.003
  664   2HB   SER  85          1HB       SER  85 -21.681  -0.996  -0.996
  665    HG   SER  85           HG       SER  85 -22.788  -1.546  -1.546
  666    H    ARG  86           H        ARG  86 -20.390   1.730   1.730
  667    HA   ARG  86           HA       ARG  86 -20.959   1.573   1.573
  668   1HB   ARG  86          2HB       ARG  86 -20.631   4.135   4.135
  669   2HB   ARG  86          1HB       ARG  86 -19.888   4.014   4.014
  670   1HG   ARG  86          2HG       ARG  86 -22.296   2.983   2.983
  671   2HG   ARG  86          1HG       ARG  86 -22.774   4.014   4.014
  672   1HD   ARG  86          2HD       ARG  86 -22.772   5.761   5.761
  673   2HD   ARG  86          1HD       ARG  86 -21.024   5.583   5.583
  674    HE   ARG  86           HE       ARG  86 -21.429   4.153   4.153
  675   1HH1  ARG  86          1HH2      ARG  86 -23.293   6.843   6.843
  676   2HH1  ARG  86          2HH2      ARG  86 -24.589   6.357   6.357
  677   1HH2  ARG  86          2HH1      ARG  86 -23.451   3.101   3.101
  678   2HH2  ARG  86          1HH1      ARG  86 -24.681   4.240   4.240
  679    H    THR  87           H        THR  87 -19.193   0.615   0.615
  680    HA   THR  87           HA       THR  87 -16.590   0.774   0.774
  681    HB   THR  87           HB       THR  87 -15.994  -1.070  -1.070
  682    HG1  THR  87           HG1      THR  87 -17.735  -0.630  -0.630
  683   1HG2  THR  87          2HG2      THR  87 -16.930  -1.209  -1.209
  684   2HG2  THR  87          1HG2      THR  87 -18.295  -1.965  -1.965
  685   3HG2  THR  87          3HG2      THR  87 -16.680  -2.656  -2.656
  686    H    GLU  88           H        GLU  88 -14.690   1.470   1.470
  687    HA   GLU  88           HA       GLU  88 -14.618   2.241   2.241
  688   1HB   GLU  88          2HB       GLU  88 -15.869   4.102   4.102
  689   2HB   GLU  88          1HB       GLU  88 -14.213   4.702   4.702
  690   1HG   GLU  88          2HG       GLU  88 -14.442   4.256   4.256
  691   2HG   GLU  88          1HG       GLU  88 -16.176   4.266   4.266
  692    H    THR  89           H        THR  89 -12.598   3.987   3.987
  693    HA   THR  89           HA       THR  89 -10.261   2.491   2.491
  694    HB   THR  89           HB       THR  89 -10.411   5.424   5.424
  695    HG1  THR  89           HG1      THR  89 -10.946   4.707   4.707
  696   1HG2  THR  89          3HG2      THR  89  -8.254   4.012   4.012
  697   2HG2  THR  89          2HG2      THR  89  -8.201   3.644   3.644
  698   3HG2  THR  89          1HG2      THR  89  -8.154   5.320   5.320
  699    H    ASN  90           H        ASN  90  -8.811   2.822   2.822
  700    HA   ASN  90           HA       ASN  90  -9.804   4.692   4.692
  701   1HB   ASN  90          2HB       ASN  90  -9.609   2.243   2.243
  702   2HB   ASN  90          1HB       ASN  90  -7.866   2.426   2.426
  703   1HD2  ASN  90          2HD2      ASN  90  -9.521   4.750   4.750
  704   2HD2  ASN  90          1HD2      ASN  90 -10.283   4.674   4.674
  705    H    TYR  91           H        TYR  91  -8.847   6.546   6.546
  706    HA   TYR  91           HA       TYR  91  -5.871   6.672   6.672
  707   1HB   TYR  91          2HB       TYR  91  -6.225   8.943   8.943
  708   2HB   TYR  91          1HB       TYR  91  -6.405   7.484   7.484
  709    HD1  TYR  91           HD2      TYR  91  -8.663   6.650   6.650
  710    HD2  TYR  91           HD1      TYR  91  -8.104  10.375  10.375
  711    HE1  TYR  91           HE2      TYR  91 -10.969   7.331   7.331
  712    HE2  TYR  91           HE1      TYR  91 -10.408  11.059  11.059
  713    HH   TYR  91           HH       TYR  91 -12.730   9.175   9.175
  714    H    ILE  92           H        ILE  92  -5.469   7.219   7.219
  715    HA   ILE  92           HA       ILE  92  -6.970   9.554   9.554
  716    HB   ILE  92           HB       ILE  92  -7.208   8.330   8.330
  717   1HG1  ILE  92          2HG1      ILE  92  -6.182   6.012   6.012
  718   2HG1  ILE  92          1HG1      ILE  92  -5.345   6.743   6.743
  719   1HG2  ILE  92          2HG2      ILE  92  -8.963   8.395   8.395
  720   2HG2  ILE  92          1HG2      ILE  92  -8.398   6.793   6.793
  721   3HG2  ILE  92          3HG2      ILE  92  -9.101   7.042   7.042
  722   1HD1  ILE  92          3HD1      ILE  92  -8.057   5.388   5.388
  723   2HD1  ILE  92          2HD1      ILE  92  -6.532   4.649   4.649
  724   3HD1  ILE  92          1HD1      ILE  92  -7.153   6.052   6.052
  725    H    CYS  93           H        CYS  93  -5.945   9.785   9.785
  726    HA   CYS  93           HA       CYS  93  -2.979  10.055  10.055
  727   1HB   CYS  93          2HB       CYS  93  -4.271  12.226  12.226
  728   2HB   CYS  93          1HB       CYS  93  -4.778  11.844  11.844
  729    H    VAL  94           H        VAL  94  -1.982   8.611   8.611
  730    HA   VAL  94           HA       VAL  94  -3.183   7.996   7.996
  731    HB   VAL  94           HB       VAL  94  -2.978   6.108   6.108
  732   1HG1  VAL  94          1HG1      VAL  94  -0.633   6.956   6.956
  733   2HG1  VAL  94          3HG1      VAL  94  -0.059   6.098   6.098
  734   3HG1  VAL  94          2HG1      VAL  94  -0.877   5.214   5.214
  735   1HG2  VAL  94          1HG2      VAL  94  -2.873   6.057   6.057
  736   2HG2  VAL  94          3HG2      VAL  94  -2.734   4.592   4.592
  737   3HG2  VAL  94          2HG2      VAL  94  -1.283   5.374   5.374
  738    H    LYS  95           H        LYS  95  -1.386   7.304   7.304
  739    HA   LYS  95           HA       LYS  95   1.046   8.939   8.939
  740   1HB   LYS  95          2HB       LYS  95  -0.645   8.818   8.818
  741   2HB   LYS  95          1HB       LYS  95   0.913   9.639   9.639
  742   1HG   LYS  95          2HG       LYS  95  -0.262  10.791  10.791
  743   2HG   LYS  95          1HG       LYS  95  -1.724  10.392  10.392
  744   1HD   LYS  95          2HD       LYS  95  -0.240  11.425  11.425
  745   2HD   LYS  95          1HD       LYS  95   0.430  12.335  12.335
  746   1HE   LYS  95          2HE       LYS  95  -2.155  12.598  12.598
  747   2HE   LYS  95          1HE       LYS  95  -2.337  12.367  12.367
  748   1HZ   LYS  95          2HZ       LYS  95  -0.489  14.345  14.345
  749   2HZ   LYS  95          1HZ       LYS  95  -2.065  14.718  14.718
  750   3HZ   LYS  95          3HZ       LYS  95  -0.908  14.198  14.198
  751    H    CYS  96           H        CYS  96   2.980   8.017   8.017
  752    HA   CYS  96           HA       CYS  96   2.597   5.203   5.203
  753   1HB   CYS  96          2HB       CYS  96   5.170   6.114   6.114
  754   2HB   CYS  96          1HB       CYS  96   4.453   4.507   4.507
  755    H    GLU  97           H        GLU  97   3.228   4.688   4.688
  756    HA   GLU  97           HA       GLU  97   5.610   5.955   5.955
  757   1HB   GLU  97          2HB       GLU  97   3.770   6.965   6.965
  758   2HB   GLU  97          1HB       GLU  97   2.930   5.422   5.422
  759   1HG   GLU  97          2HG       GLU  97   4.611   4.567   4.567
  760   2HG   GLU  97          1HG       GLU  97   5.664   5.950   5.950
  761    H    ASN  98           H        ASN  98   6.864   4.262   4.262
  762    HA   ASN  98           HA       ASN  98   7.647   2.001   2.001
  763   1HB   ASN  98          2HB       ASN  98   4.707   1.820   1.820
  764   2HB   ASN  98          1HB       ASN  98   5.648   0.337   0.337
  765   1HD2  ASN  98          2HD2      ASN  98   5.971   2.452   2.452
  766   2HD2  ASN  98          1HD2      ASN  98   4.774   2.754   2.754
  767    H    GLN  99           H        GLN  99   6.870   3.212   3.212
  768    HA   GLN  99           HA       GLN  99   6.533   2.860   2.860
  769   1HB   GLN  99          2HB       GLN  99   7.594   0.852   0.852
  770   2HB   GLN  99          1HB       GLN  99   8.624   1.666   1.666
  771   1HG   GLN  99          2HG       GLN  99   8.135   0.015   0.015
  772   2HG   GLN  99          1HG       GLN  99   6.883  -0.718  -0.718
  773   1HE2  GLN  99          2HE2      GLN  99  10.689  -1.153  -1.153
  774   2HE2  GLN  99          1HE2      GLN  99  10.172   0.374   0.374
  775    H    TYR 100           H        TYR 100   4.356   1.611   1.611
  776    HA   TYR 100           HA       TYR 100   2.878   0.309   0.309
  777   1HB   TYR 100          2HB       TYR 100   2.177  -1.356  -1.356
  778   2HB   TYR 100          1HB       TYR 100   3.352  -0.784  -0.784
  779    HD1  TYR 100           HD2      TYR 100  -0.178   0.028   0.028
  780    HD2  TYR 100           HD1      TYR 100   2.565  -0.315  -0.315
  781    HE1  TYR 100           HE2      TYR 100  -1.997   0.611   0.611
  782    HE2  TYR 100           HE1      TYR 100   0.739   0.264   0.264
  783    HH   TYR 100           HH       TYR 100  -2.011   1.703   1.703
  784    HA   PRO 101           HA       PRO 101   0.486   4.015   4.015
  785   1HB   PRO 101          2HB       PRO 101  -2.025   3.046   3.046
  786   2HB   PRO 101          1HB       PRO 101  -0.737   3.373   3.373
  787   1HG   PRO 101          2HG       PRO 101  -1.597   0.739   0.739
  788   2HG   PRO 101          1HG       PRO 101  -1.024   1.108   1.108
  789   1HD   PRO 101          2HD       PRO 101   0.589  -0.068  -0.068
  790   2HD   PRO 101          1HD       PRO 101   1.218   0.998   0.998
  791    H    VAL 102           H        VAL 102   0.725   4.336   4.336
  792    HA   VAL 102           HA       VAL 102  -1.069   2.992   2.992
  793    HB   VAL 102           HB       VAL 102   1.091   5.100   5.100
  794   1HG1  VAL 102          2HG1      VAL 102  -0.545   3.708   3.708
  795   2HG1  VAL 102          1HG1      VAL 102   0.892   4.671   4.671
  796   3HG1  VAL 102          3HG1      VAL 102  -0.549   5.432   5.432
  797   1HG2  VAL 102          2HG2      VAL 102   1.338   2.413   2.413
  798   2HG2  VAL 102          1HG2      VAL 102   2.517   3.386   3.386
  799   3HG2  VAL 102          3HG2      VAL 102   1.307   2.465   2.465
  800    H    HIS 103           H        HIS 103  -0.948   6.013   6.013
  801    HA   HIS 103           HA       HIS 103  -3.382   6.893   6.893
  802   1HB   HIS 103          2HB       HIS 103  -1.944   9.222   9.222
  803   2HB   HIS 103          1HB       HIS 103  -2.306   8.743   8.743
  804    HD1  HIS 103           HD1      HIS 103  -0.228   8.537   8.537
  805    HD2  HIS 103           HD2      HIS 103   0.532   7.537   7.537
  806    HE1  HIS 103           HE1      HIS 103   2.227   7.889   7.889
  807    H    PHE 104           H        PHE 104  -4.948   7.965   7.965
  808    HA   PHE 104           HA       PHE 104  -4.215   7.835   7.835
  809   1HB   PHE 104          2HB       PHE 104  -6.348   6.477   6.477
  810   2HB   PHE 104          1HB       PHE 104  -7.105   7.817   7.817
  811    HD1  PHE 104           HD2      PHE 104  -5.172   8.137   8.137
  812    HD2  PHE 104           HD1      PHE 104  -6.863   4.595   4.595
  813    HE1  PHE 104           HE2      PHE 104  -4.777   6.955   6.955
  814    HE2  PHE 104           HE1      PHE 104  -6.489   3.391   3.391
  815    HZ   PHE 104           HZ       PHE 104  -5.453   4.578   4.578
  816    H    ALA 105           H        ALA 105  -4.323   9.694   9.694
  817    HA   ALA 105           HA       ALA 105  -5.081  12.162  12.162
  818   1HB   ALA 105          3HB       ALA 105  -3.278  11.562  11.562
  819   2HB   ALA 105          2HB       ALA 105  -4.570  12.349  12.349
  820   3HB   ALA 105          1HB       ALA 105  -3.795  13.189  13.189
  821    H    GLY 106           H        GLY 106  -6.490  10.199  10.199
  822   1HA   GLY 106          2HA       GLY 106  -9.101  10.454  10.454
  823   2HA   GLY 106          1HA       GLY 106  -8.755  12.139  12.139
  824    H    ILE 107           H        ILE 107  -9.564  12.426  12.426
  825    HA   ILE 107           HA       ILE 107  -9.642  10.434  10.434
  826    HB   ILE 107           HB       ILE 107 -10.396  12.329  12.329
  827   1HG1  ILE 107          2HG1      ILE 107 -10.290  14.152  14.152
  828   2HG1  ILE 107          1HG1      ILE 107  -8.792  13.904  13.904
  829   1HG2  ILE 107          2HG2      ILE 107 -11.533  11.630  11.630
  830   2HG2  ILE 107          1HG2      ILE 107 -12.182  13.091  13.091
  831   3HG2  ILE 107          3HG2      ILE 107 -12.269  11.552  11.552
  832   1HD1  ILE 107          2HD1      ILE 107 -11.388  14.602  14.602
  833   2HD1  ILE 107          1HD1      ILE 107 -10.286  15.841  15.841
  834   3HD1  ILE 107          3HD1      ILE 107  -9.750  14.711  14.711
  835    H    GLY 108           H        GLY 108  -8.841  11.535  11.535
  836   1HA   GLY 108          2HA       GLY 108  -5.895  11.397  11.397
  837   2HA   GLY 108          1HA       GLY 108  -6.844  11.237  11.237
  838    H    ARG 109           H        ARG 109  -6.341  13.719  13.719
  839    HA   ARG 109           HA       ARG 109  -5.339  15.663  15.663
  840   1HB   ARG 109          2HB       ARG 109  -8.110  15.540  15.540
  841   2HB   ARG 109          1HB       ARG 109  -7.683  16.829  16.829
  842   1HG   ARG 109          2HG       ARG 109  -7.803  18.073  18.073
  843   2HG   ARG 109          1HG       ARG 109  -6.115  17.573  17.573
  844   1HD   ARG 109          2HD       ARG 109  -8.004  15.614  15.614
  845   2HD   ARG 109          1HD       ARG 109  -7.988  17.161  17.161
  846    HE   ARG 109           HE       ARG 109  -5.782  15.232  15.232
  847   1HH1  ARG 109          1HH2      ARG 109  -4.351  17.634  17.634
  848   2HH1  ARG 109          2HH2      ARG 109  -4.071  18.427  18.427
  849   1HH2  ARG 109          2HH1      ARG 109  -6.478  16.601  16.601
  850   2HH2  ARG 109          1HH1      ARG 109  -5.278  17.845  17.845
  851    H    CYS 110           H        CYS 110  -3.693  15.191  15.191
  852    HA   CYS 110           HA       CYS 110  -4.170  16.261  16.261
  853   1HB   CYS 110          2HB       CYS 110  -2.137  14.567  14.567
  854   2HB   CYS 110          1HB       CYS 110  -1.440  15.786  15.786
  855    HA   PRO 111           HA       PRO 111  -1.084  19.618  19.618
  856   1HB   PRO 111          2HB       PRO 111  -0.566  19.858  19.858
  857   2HB   PRO 111          1HB       PRO 111   0.404  18.857  18.857
  858   1HG   PRO 111          2HG       PRO 111  -1.594  18.013  18.013
  859   2HG   PRO 111          1HG       PRO 111  -0.198  17.129  17.129
  860   1HD   PRO 111          1HD       PRO 111  -2.898  16.731  16.731
  861   2HD   PRO 111          2HD       PRO 111  -1.474  16.091  16.091

  Start of MODEL    3
    1    HN   PCA   1           HN       PCA   1  -3.107   4.047   4.047
    2    HA   PCA   1           HA       PCA   1  -1.492   5.169   5.169
    3   1HB   PCA   1          1HB       PCA   1  -2.451   5.861   5.861
    4   2HB   PCA   1          2HB       PCA   1  -2.770   4.175   4.175
    5   1HG   PCA   1          1HG       PCA   1  -4.628   6.151   6.151
    6   2HG   PCA   1          2HG       PCA   1  -4.956   4.469   4.469
    7    H    ASN   2           H        ASN   2  -3.377   2.195   2.195
    8    HA   ASN   2           HA       ASN   2  -0.803   0.715   0.715
    9   1HB   ASN   2          2HB       ASN   2  -2.210   0.667   0.667
   10   2HB   ASN   2          1HB       ASN   2  -3.552   0.030   0.030
   11   1HD2  ASN   2          2HD2      ASN   2  -0.319  -2.503  -2.503
   12   2HD2  ASN   2          1HD2      ASN   2  -0.036  -0.854  -0.854
   13    H    TRP   3           H        TRP   3  -0.734  -1.428  -1.428
   14    HA   TRP   3           HA       TRP   3  -1.779  -1.442  -1.442
   15   1HB   TRP   3          2HB       TRP   3   0.232  -2.824  -2.824
   16   2HB   TRP   3          1HB       TRP   3  -0.852  -4.057  -4.057
   17    HD1  TRP   3           HD1      TRP   3   2.192  -2.573  -2.573
   18    HE1  TRP   3           HE1      TRP   3   2.737  -2.670  -2.670
   19    HE3  TRP   3           HE3      TRP   3  -2.494  -3.400  -3.400
   20    HZ2  TRP   3           HZ2      TRP   3   1.407  -3.056  -3.056
   21    HZ3  TRP   3           HZ3      TRP   3  -2.798  -3.648  -3.648
   22    HH2  TRP   3           HH2      TRP   3  -0.851  -3.481  -3.481
   23    H    ALA   4           H        ALA   4  -2.944  -2.798  -2.798
   24    HA   ALA   4           HA       ALA   4  -4.634  -4.874  -4.874
   25   1HB   ALA   4          1HB       ALA   4  -4.387  -3.598  -3.598
   26   2HB   ALA   4          3HB       ALA   4  -5.749  -4.660  -4.660
   27   3HB   ALA   4          2HB       ALA   4  -4.100  -5.273  -5.273
   28    H    THR   5           H        THR   5  -5.623  -1.922  -1.922
   29    HA   THR   5           HA       THR   5  -8.321  -1.907  -1.907
   30    HB   THR   5           HB       THR   5  -6.768   0.585   0.585
   31    HG1  THR   5           HG1      THR   5  -7.849  -1.410  -1.410
   32   1HG2  THR   5          2HG2      THR   5  -9.195   0.626   0.626
   33   2HG2  THR   5          1HG2      THR   5  -9.584  -0.245  -0.245
   34   3HG2  THR   5          3HG2      THR   5  -8.873   1.366   1.366
   35    H    PHE   6           H        PHE   6  -5.304  -0.667  -0.667
   36    HA   PHE   6           HA       PHE   6  -6.545   0.824   0.824
   37   1HB   PHE   6          2HB       PHE   6  -4.277   1.357   1.357
   38   2HB   PHE   6          1HB       PHE   6  -3.729  -0.172  -0.172
   39    HD1  PHE   6           HD2      PHE   6  -4.011  -0.586  -0.586
   40    HD2  PHE   6           HD1      PHE   6  -4.510   3.312   3.312
   41    HE1  PHE   6           HE2      PHE   6  -3.778   0.439   0.439
   42    HE2  PHE   6           HE1      PHE   6  -4.287   4.353   4.353
   43    HZ   PHE   6           HZ       PHE   6  -3.930   2.902   2.902
   44    H    GLN   7           H        GLN   7  -5.554  -2.477  -2.477
   45    HA   GLN   7           HA       GLN   7  -5.271  -3.481  -3.481
   46   1HB   GLN   7          2HB       GLN   7  -4.984  -4.861  -4.861
   47   2HB   GLN   7          1HB       GLN   7  -6.740  -4.902  -4.902
   48   1HG   GLN   7          2HG       GLN   7  -6.927  -6.513  -6.513
   49   2HG   GLN   7          1HG       GLN   7  -5.883  -5.640  -5.640
   50   1HE2  GLN   7          2HE2      GLN   7  -4.350  -8.682  -8.682
   51   2HE2  GLN   7          1HE2      GLN   7  -5.970  -8.207  -8.207
   52    H    GLN   8           H        GLN   8  -8.096  -2.629  -2.629
   53    HA   GLN   8           HA       GLN   8 -10.033  -3.462  -3.462
   54   1HB   GLN   8          2HB       GLN   8 -10.110  -2.070  -2.070
   55   2HB   GLN   8          1HB       GLN   8 -11.436  -1.748  -1.748
   56   1HG   GLN   8          2HG       GLN   8 -12.198  -3.934  -3.934
   57   2HG   GLN   8          1HG       GLN   8 -10.603  -4.592  -4.592
   58   1HE2  GLN   8          2HE2      GLN   8 -10.948  -4.181  -4.181
   59   2HE2  GLN   8          1HE2      GLN   8  -9.845  -4.437  -4.437
   60    H    LYS   9           H        LYS   9  -8.464  -0.471  -0.471
   61    HA   LYS   9           HA       LYS   9  -9.752   1.504   1.504
   62   1HB   LYS   9          2HB       LYS   9  -7.879   1.919   1.919
   63   2HB   LYS   9          1HB       LYS   9  -6.742   1.316   1.316
   64   1HG   LYS   9          2HG       LYS   9  -6.636   3.515   3.515
   65   2HG   LYS   9          1HG       LYS   9  -8.097   3.140   3.140
   66   1HD   LYS   9          2HD       LYS   9  -9.136   4.734   4.734
   67   2HD   LYS   9          1HD       LYS   9  -9.000   3.665   3.665
   68   1HE   LYS   9          2HE       LYS   9  -6.466   4.867   4.867
   69   2HE   LYS   9          1HE       LYS   9  -7.626   6.166   6.166
   70   1HZ   LYS   9          2HZ       LYS   9  -8.793   5.176   5.176
   71   2HZ   LYS   9          1HZ       LYS   9  -7.285   4.460   4.460
   72   3HZ   LYS   9          3HZ       LYS   9  -7.419   6.149   6.149
   73    H    HIS  10           H        HIS  10  -7.038  -0.462  -0.462
   74    HA   HIS  10           HA       HIS  10  -7.644   0.611   0.611
   75   1HB   HIS  10          2HB       HIS  10  -5.271  -0.682  -0.682
   76   2HB   HIS  10          1HB       HIS  10  -5.595  -1.129  -1.129
   77    HD1  HIS  10           HD1      HIS  10  -3.126   0.507   0.507
   78    HD2  HIS  10           HD2      HIS  10  -6.778   2.201   2.201
   79    HE1  HIS  10           HE1      HIS  10  -2.602   2.782   2.782
   80    H    ILE  11           H        ILE  11  -8.375  -2.238  -2.238
   81    HA   ILE  11           HA       ILE  11  -9.192  -3.529  -3.529
   82    HB   ILE  11           HB       ILE  11  -8.021  -5.005  -5.005
   83   1HG1  ILE  11          2HG1      ILE  11  -6.338  -3.568  -3.568
   84   2HG1  ILE  11          1HG1      ILE  11  -6.014  -5.274  -5.274
   85   1HG2  ILE  11          2HG2      ILE  11  -9.677  -6.143  -6.143
   86   2HG2  ILE  11          1HG2      ILE  11  -8.339  -6.063  -6.063
   87   3HG2  ILE  11          3HG2      ILE  11  -8.158  -6.957  -6.957
   88   1HD1  ILE  11          3HD1      ILE  11  -7.751  -4.116  -4.116
   89   2HD1  ILE  11          2HD1      ILE  11  -6.187  -3.314  -3.314
   90   3HD1  ILE  11          1HD1      ILE  11  -6.273  -5.053  -5.053
   91    H    ILE  12           H        ILE  12 -11.296  -2.531  -2.531
   92    HA   ILE  12           HA       ILE  12 -12.867  -4.202  -4.202
   93    HB   ILE  12           HB       ILE  12 -13.724  -1.774  -1.774
   94   1HG1  ILE  12          2HG1      ILE  12 -13.851  -1.155  -1.155
   95   2HG1  ILE  12          1HG1      ILE  12 -12.318  -2.002  -2.002
   96   1HG2  ILE  12          1HG2      ILE  12 -15.098  -3.589  -3.589
   97   2HG2  ILE  12          3HG2      ILE  12 -15.589  -1.897  -1.897
   98   3HG2  ILE  12          2HG2      ILE  12 -15.692  -2.927  -2.927
   99   1HD1  ILE  12          3HD1      ILE  12 -12.003  -0.437  -0.437
  100   2HD1  ILE  12          2HD1      ILE  12 -13.236   0.550   0.550
  101   3HD1  ILE  12          1HD1      ILE  12 -11.719   0.217   0.217
  102    H    ASN  13           H        ASN  13 -11.993  -5.773  -5.773
  103    HA   ASN  13           HA       ASN  13 -13.162  -5.719  -5.719
  104   1HB   ASN  13          2HB       ASN  13 -11.623  -7.757  -7.757
  105   2HB   ASN  13          1HB       ASN  13 -12.390  -8.223  -8.223
  106   1HD2  ASN  13          2HD2      ASN  13  -9.659  -5.164  -5.164
  107   2HD2  ASN  13          1HD2      ASN  13 -10.793  -5.105  -5.105
  108    H    THR  14           H        THR  14 -15.398  -5.387  -5.387
  109    HA   THR  14           HA       THR  14 -16.826  -7.936  -7.936
  110    HB   THR  14           HB       THR  14 -18.582  -6.405  -6.405
  111    HG1  THR  14           HG1      THR  14 -17.456  -4.486  -4.486
  112   1HG2  THR  14          2HG2      THR  14 -15.847  -6.931  -6.931
  113   2HG2  THR  14          1HG2      THR  14 -17.171  -6.273  -6.273
  114   3HG2  THR  14          3HG2      THR  14 -17.324  -7.868  -7.868
  115    HA   PRO  15           HA       PRO  15 -18.258  -5.998  -5.998
  116   1HB   PRO  15          2HB       PRO  15 -17.984  -8.261  -8.261
  117   2HB   PRO  15          1HB       PRO  15 -16.696  -7.064  -7.064
  118   1HG   PRO  15          2HG       PRO  15 -16.954  -9.787  -9.787
  119   2HG   PRO  15          1HG       PRO  15 -15.496  -8.831  -8.831
  120   1HD   PRO  15          2HD       PRO  15 -16.749  -9.195  -9.195
  121   2HD   PRO  15          1HD       PRO  15 -15.487  -7.998  -7.998
  122    H    ILE  16           H        ILE  16 -20.256  -6.041  -6.041
  123    HA   ILE  16           HA       ILE  16 -22.137  -8.180  -8.180
  124    HB   ILE  16           HB       ILE  16 -22.035  -7.126  -7.126
  125   1HG1  ILE  16          2HG1      ILE  16 -21.000  -9.802  -9.802
  126   2HG1  ILE  16          1HG1      ILE  16 -19.958  -8.432  -8.432
  127   1HG2  ILE  16          2HG2      ILE  16 -23.674  -9.087  -9.087
  128   2HG2  ILE  16          1HG2      ILE  16 -23.263  -9.513  -9.513
  129   3HG2  ILE  16          3HG2      ILE  16 -24.139  -8.021  -8.021
  130   1HD1  ILE  16          2HD1      ILE  16 -21.307  -8.471  -8.471
  131   2HD1  ILE  16          1HD1      ILE  16 -21.583 -10.154 -10.154
  132   3HD1  ILE  16          3HD1      ILE  16 -19.937  -9.553  -9.553
  133    H    ILE  17           H        ILE  17 -24.466  -7.408  -7.408
  134    HA   ILE  17           HA       ILE  17 -24.671  -4.536  -4.536
  135    HB   ILE  17           HB       ILE  17 -27.051  -5.124  -5.124
  136   1HG1  ILE  17          2HG1      ILE  17 -26.337  -8.007  -8.007
  137   2HG1  ILE  17          1HG1      ILE  17 -26.893  -7.034  -7.034
  138   1HG2  ILE  17          3HG2      ILE  17 -25.278  -5.376  -5.376
  139   2HG2  ILE  17          2HG2      ILE  17 -25.021  -7.039  -7.039
  140   3HG2  ILE  17          1HG2      ILE  17 -26.559  -6.573  -6.573
  141   1HD1  ILE  17          2HD1      ILE  17 -28.906  -6.392  -6.392
  142   2HD1  ILE  17          1HD1      ILE  17 -28.368  -7.479  -7.479
  143   3HD1  ILE  17          3HD1      ILE  17 -28.812  -8.128  -8.128
  144    H    ASN  18           H        ASN  18 -23.876  -5.020  -5.020
  145    HA   ASN  18           HA       ASN  18 -26.091  -3.690  -3.690
  146   1HB   ASN  18          2HB       ASN  18 -24.707  -6.129  -6.129
  147   2HB   ASN  18          1HB       ASN  18 -26.091  -5.255  -5.255
  148   1HD2  ASN  18          2HD2      ASN  18 -28.366  -6.637  -6.637
  149   2HD2  ASN  18          1HD2      ASN  18 -28.024  -5.161  -5.161
  150    H    CYS  19           H        CYS  19 -24.919  -1.839  -1.839
  151    HA   CYS  19           HA       CYS  19 -22.059  -1.962  -1.962
  152   1HB   CYS  19          2HB       CYS  19 -23.861   0.478   0.478
  153   2HB   CYS  19          1HB       CYS  19 -22.104   0.445   0.445
  154    H    ASN  20           H        ASN  20 -24.977  -2.107  -2.107
  155    HA   ASN  20           HA       ASN  20 -23.702  -1.036  -1.036
  156   1HB   ASN  20          2HB       ASN  20 -25.868  -1.939  -1.939
  157   2HB   ASN  20          1HB       ASN  20 -26.011  -0.576  -0.576
  158   1HD2  ASN  20          2HD2      ASN  20 -27.826  -4.098  -4.098
  159   2HD2  ASN  20          1HD2      ASN  20 -26.912  -3.914  -3.914
  160    H    THR  21           H        THR  21 -25.030  -4.204  -4.204
  161    HA   THR  21           HA       THR  21 -24.129  -5.681  -5.681
  162    HB   THR  21           HB       THR  21 -24.022  -7.573  -7.573
  163    HG1  THR  21           HG1      THR  21 -25.943  -5.782  -5.782
  164   1HG2  THR  21          2HG2      THR  21 -25.824  -6.740  -6.740
  165   2HG2  THR  21          1HG2      THR  21 -26.796  -6.866  -6.866
  166   3HG2  THR  21          3HG2      THR  21 -25.873  -8.257  -8.257
  167    H    ILE  22           H        ILE  22 -22.373  -4.659  -4.659
  168    HA   ILE  22           HA       ILE  22 -20.094  -6.399  -6.399
  169    HB   ILE  22           HB       ILE  22 -18.998  -5.298  -5.298
  170   1HG1  ILE  22          2HG1      ILE  22 -21.422  -3.470  -3.470
  171   2HG1  ILE  22          1HG1      ILE  22 -19.841  -2.981  -2.981
  172   1HG2  ILE  22          3HG2      ILE  22 -21.928  -5.918  -5.918
  173   2HG2  ILE  22          2HG2      ILE  22 -20.737  -5.766  -5.766
  174   3HG2  ILE  22          1HG2      ILE  22 -20.580  -7.050  -7.050
  175   1HD1  ILE  22          2HD1      ILE  22 -19.381  -4.225  -4.225
  176   2HD1  ILE  22          1HD1      ILE  22 -20.736  -3.124  -3.124
  177   3HD1  ILE  22          3HD1      ILE  22 -19.204  -2.519  -2.519
  178    H    MET  23           H        MET  23 -20.874  -2.953  -2.953
  179    HA   MET  23           HA       MET  23 -18.266  -2.558  -2.558
  180   1HB   MET  23          2HB       MET  23 -18.607  -0.224  -0.224
  181   2HB   MET  23          1HB       MET  23 -19.210  -0.913  -0.913
  182   1HG   MET  23          2HG       MET  23 -21.086   0.291   0.291
  183   2HG   MET  23          1HG       MET  23 -21.461  -0.929  -0.929
  184   1HE   MET  23          3HE       MET  23 -22.946   0.736   0.736
  185   2HE   MET  23          2HE       MET  23 -22.384   0.324   0.324
  186   3HE   MET  23          1HE       MET  23 -22.578   2.016   2.016
  187    H    ASP  24           H        ASP  24 -20.796  -4.032  -4.032
  188    HA   ASP  24           HA       ASP  24 -21.831  -2.543  -2.543
  189   1HB   ASP  24          2HB       ASP  24 -21.703  -5.434  -5.434
  190   2HB   ASP  24          1HB       ASP  24 -22.096  -5.061  -5.061
  191    H    ASN  25           H        ASN  25 -20.054  -1.511  -1.511
  192    HA   ASN  25           HA       ASN  25 -18.687  -3.042  -3.042
  193   1HB   ASN  25          2HB       ASN  25 -17.309  -3.552  -3.552
  194   2HB   ASN  25          1HB       ASN  25 -16.974  -1.842  -1.842
  195   1HD2  ASN  25          2HD2      ASN  25 -14.079  -2.627  -2.627
  196   2HD2  ASN  25          1HD2      ASN  25 -14.662  -2.298  -2.298
  197    H    ASN  26           H        ASN  26 -17.695  -1.651  -1.651
  198    HA   ASN  26           HA       ASN  26 -18.749   1.053   1.053
  199   1HB   ASN  26          2HB       ASN  26 -16.546  -0.218  -0.218
  200   2HB   ASN  26          1HB       ASN  26 -17.456   1.236   1.236
  201   1HD2  ASN  26          2HD2      ASN  26 -19.158  -2.431  -2.431
  202   2HD2  ASN  26          1HD2      ASN  26 -17.666  -2.292  -2.292
  203    H    ILE  27           H        ILE  27 -16.045  -0.237  -0.237
  204    HA   ILE  27           HA       ILE  27 -14.411   2.199   2.199
  205    HB   ILE  27           HB       ILE  27 -13.747  -0.403  -0.403
  206   1HG1  ILE  27          2HG1      ILE  27 -12.256   1.429   1.429
  207   2HG1  ILE  27          1HG1      ILE  27 -11.486   0.391   0.391
  208   1HG2  ILE  27          3HG2      ILE  27 -14.670  -0.229  -0.229
  209   2HG2  ILE  27          2HG2      ILE  27 -13.192   0.670   0.670
  210   3HG2  ILE  27          1HG2      ILE  27 -13.100  -0.991  -0.991
  211   1HD1  ILE  27          2HD1      ILE  27 -12.220   2.029   2.029
  212   2HD1  ILE  27          1HD1      ILE  27 -12.756   3.100   3.100
  213   3HD1  ILE  27          3HD1      ILE  27 -11.049   2.681   2.681
  214    H    TYR  28           H        TYR  28 -17.200   1.742   1.742
  215    HA   TYR  28           HA       TYR  28 -16.418   3.544   3.544
  216   1HB   TYR  28          2HB       TYR  28 -18.037   0.990   0.990
  217   2HB   TYR  28          1HB       TYR  28 -18.175   2.261   2.261
  218    HD1  TYR  28           HD2      TYR  28 -15.801   3.213   3.213
  219    HD2  TYR  28           HD1      TYR  28 -16.497  -0.707  -0.707
  220    HE1  TYR  28           HE2      TYR  28 -13.773   2.381   2.381
  221    HE2  TYR  28           HE1      TYR  28 -14.459  -1.537  -1.537
  222    HH   TYR  28           HH       TYR  28 -12.104   0.430   0.430
  223    H    ILE  29           H        ILE  29 -17.461   4.798   4.798
  224    HA   ILE  29           HA       ILE  29 -20.227   5.498   5.498
  225    HB   ILE  29           HB       ILE  29 -19.664   4.733   4.733
  226   1HG1  ILE  29          2HG1      ILE  29 -21.163   3.157   3.157
  227   2HG1  ILE  29          1HG1      ILE  29 -19.583   2.727   2.727
  228   1HG2  ILE  29          1HG2      ILE  29 -21.938   5.884   5.884
  229   2HG2  ILE  29          3HG2      ILE  29 -22.356   4.659   4.659
  230   3HG2  ILE  29          2HG2      ILE  29 -21.492   6.115   6.115
  231   1HD1  ILE  29          2HD1      ILE  29 -20.943   2.994   2.994
  232   2HD1  ILE  29          1HD1      ILE  29 -22.265   2.503   2.503
  233   3HD1  ILE  29          3HD1      ILE  29 -20.847   1.469   1.469
  234    H    VAL  30           H        VAL  30 -20.921   7.499   7.499
  235    HA   VAL  30           HA       VAL  30 -18.744   9.302   9.302
  236    HB   VAL  30           HB       VAL  30 -21.365   9.964   9.964
  237   1HG1  VAL  30          3HG1      VAL  30 -19.086  11.662  11.662
  238   2HG1  VAL  30          2HG1      VAL  30 -20.152  12.214  12.214
  239   3HG1  VAL  30          1HG1      VAL  30 -20.816  11.852  11.852
  240   1HG2  VAL  30          1HG2      VAL  30 -18.514   9.629   9.629
  241   2HG2  VAL  30          3HG2      VAL  30 -19.992   9.026   9.026
  242   3HG2  VAL  30          2HG2      VAL  30 -19.586  10.740  10.740
  243    H    GLY  31           H        GLY  31 -19.695  11.073  11.073
  244   1HA   GLY  31          2HA       GLY  31 -21.322   9.678   9.678
  245   2HA   GLY  31          1HA       GLY  31 -20.461  11.203  11.203
  246    H    GLY  32           H        GLY  32 -22.945  10.053  10.053
  247   1HA   GLY  32          2HA       GLY  32 -24.959  11.909  11.909
  248   2HA   GLY  32          1HA       GLY  32 -24.296  12.377  12.377
  249    H    GLN  33           H        GLN  33 -24.028  10.165  10.165
  250    HA   GLN  33           HA       GLN  33 -26.185   8.223   8.223
  251   1HB   GLN  33          2HB       GLN  33 -26.855  10.702  10.702
  252   2HB   GLN  33          1HB       GLN  33 -26.788   9.494   9.494
  253   1HG   GLN  33          2HG       GLN  33 -28.474   8.193   8.193
  254   2HG   GLN  33          1HG       GLN  33 -28.207   8.847   8.847
  255   1HE2  GLN  33          2HE2      GLN  33 -30.050  11.890  11.890
  256   2HE2  GLN  33          1HE2      GLN  33 -28.681  11.345  11.345
  257    H    CYS  34           H        CYS  34 -24.864   9.728   9.728
  258    HA   CYS  34           HA       CYS  34 -23.107   7.383   7.383
  259   1HB   CYS  34          2HB       CYS  34 -25.239   8.381   8.381
  260   2HB   CYS  34          1HB       CYS  34 -23.973   7.234   7.234
  261    H    LYS  35           H        LYS  35 -21.363   7.887   7.887
  262    HA   LYS  35           HA       LYS  35 -20.594  10.697  10.697
  263   1HB   LYS  35          2HB       LYS  35 -19.158   8.413   8.413
  264   2HB   LYS  35          1HB       LYS  35 -19.158   8.711   8.711
  265   1HG   LYS  35          2HG       LYS  35 -18.020  10.737  10.737
  266   2HG   LYS  35          1HG       LYS  35 -18.531  10.969  10.969
  267   1HD   LYS  35          2HD       LYS  35 -16.735   9.859   9.859
  268   2HD   LYS  35          1HD       LYS  35 -16.950   8.529   8.529
  269   1HE   LYS  35          2HE       LYS  35 -15.959  11.089  11.089
  270   2HE   LYS  35          1HE       LYS  35 -14.837  10.207  10.207
  271   1HZ   LYS  35          2HZ       LYS  35 -16.297   9.035   9.035
  272   2HZ   LYS  35          1HZ       LYS  35 -14.678   9.549   9.549
  273   3HZ   LYS  35          3HZ       LYS  35 -15.132   8.255   8.255
  274    H    ARG  36           H        ARG  36 -19.672  11.477  11.477
  275    HA   ARG  36           HA       ARG  36 -21.983  11.581  11.581
  276   1HB   ARG  36          2HB       ARG  36 -19.298  12.930  12.930
  277   2HB   ARG  36          1HB       ARG  36 -20.215  12.989  12.989
  278   1HG   ARG  36          2HG       ARG  36 -21.142  14.836  14.836
  279   2HG   ARG  36          1HG       ARG  36 -22.183  13.623  13.623
  280   1HD   ARG  36          2HD       ARG  36 -21.435  14.236  14.236
  281   2HD   ARG  36          1HD       ARG  36 -19.798  13.778  13.778
  282    HE   ARG  36           HE       ARG  36 -20.399  16.354  16.354
  283   1HH1  ARG  36          2HH1      ARG  36 -21.310  16.011  16.011
  284   2HH1  ARG  36          1HH1      ARG  36 -19.982  16.819  16.819
  285   1HH2  ARG  36          1HH2      ARG  36 -18.012  16.844  16.844
  286   2HH2  ARG  36          2HH2      ARG  36 -18.115  17.290  17.290
  287    H    VAL  37           H        VAL  37 -19.109   9.649   9.649
  288    HA   VAL  37           HA       VAL  37 -19.877   8.176   8.176
  289    HB   VAL  37           HB       VAL  37 -18.613  10.098  10.098
  290   1HG1  VAL  37          2HG1      VAL  37 -17.041  10.307  10.307
  291   2HG1  VAL  37          1HG1      VAL  37 -16.158   8.941   8.941
  292   3HG1  VAL  37          3HG1      VAL  37 -16.298  10.442  10.442
  293   1HG2  VAL  37          1HG2      VAL  37 -17.823   7.243   7.243
  294   2HG2  VAL  37          3HG2      VAL  37 -18.421   8.353   8.353
  295   3HG2  VAL  37          2HG2      VAL  37 -16.729   8.411   8.411
  296    H    ASN  38           H        ASN  38 -19.646   6.161   6.161
  297    HA   ASN  38           HA       ASN  38 -17.475   5.333   5.333
  298   1HB   ASN  38          2HB       ASN  38 -19.732   3.564   3.564
  299   2HB   ASN  38          1HB       ASN  38 -18.734   3.335   3.335
  300   1HD2  ASN  38          2HD2      ASN  38 -22.057   4.698   4.698
  301   2HD2  ASN  38          1HD2      ASN  38 -21.556   3.317   3.317
  302    H    THR  39           H        THR  39 -15.874   5.608   5.608
  303    HA   THR  39           HA       THR  39 -16.055   4.216   4.216
  304    HB   THR  39           HB       THR  39 -13.499   5.340   5.340
  305    HG1  THR  39           HG1      THR  39 -14.763   7.033   7.033
  306   1HG2  THR  39          2HG2      THR  39 -13.624   4.179   4.179
  307   2HG2  THR  39          1HG2      THR  39 -14.696   5.476   5.476
  308   3HG2  THR  39          3HG2      THR  39 -13.036   5.841   5.841
  309    H    PHE  40           H        PHE  40 -15.731   2.113   2.113
  310    HA   PHE  40           HA       PHE  40 -13.909   0.640   0.640
  311   1HB   PHE  40          2HB       PHE  40 -15.861  -0.466  -0.466
  312   2HB   PHE  40          1HB       PHE  40 -15.045  -1.369  -1.369
  313    HD1  PHE  40           HD2      PHE  40 -15.307   0.202   0.202
  314    HD2  PHE  40           HD1      PHE  40 -18.142  -0.355  -0.355
  315    HE1  PHE  40           HE2      PHE  40 -17.166   0.694   0.694
  316    HE2  PHE  40           HE1      PHE  40 -19.997   0.138   0.138
  317    HZ   PHE  40           HZ       PHE  40 -19.511   0.663   0.663
  318    H    ILE  41           H        ILE  41 -12.312  -0.901  -0.901
  319    HA   ILE  41           HA       ILE  41 -11.635  -0.033  -0.033
  320    HB   ILE  41           HB       ILE  41  -9.698  -0.551  -0.551
  321   1HG1  ILE  41          2HG1      ILE  41 -10.900   1.583   1.583
  322   2HG1  ILE  41          1HG1      ILE  41  -9.214   1.867   1.867
  323   1HG2  ILE  41          1HG2      ILE  41  -8.853  -1.190  -1.190
  324   2HG2  ILE  41          3HG2      ILE  41  -9.167   0.457   0.457
  325   3HG2  ILE  41          2HG2      ILE  41  -7.963   0.158   0.158
  326   1HD1  ILE  41          1HD1      ILE  41 -10.424   1.706   1.706
  327   2HD1  ILE  41          3HD1      ILE  41 -11.656   2.512   2.512
  328   3HD1  ILE  41          2HD1      ILE  41 -10.040   3.207   3.207
  329    H    ILE  42           H        ILE  42 -11.550  -1.720  -1.720
  330    HA   ILE  42           HA       ILE  42 -11.141  -4.485  -4.485
  331    HB   ILE  42           HB       ILE  42 -12.085  -3.993  -3.993
  332   1HG1  ILE  42          2HG1      ILE  42 -13.926  -4.075  -4.075
  333   2HG1  ILE  42          1HG1      ILE  42 -13.557  -2.613  -2.613
  334   1HG2  ILE  42          3HG2      ILE  42 -11.421  -6.249  -6.249
  335   2HG2  ILE  42          2HG2      ILE  42 -12.892  -6.122  -6.122
  336   3HG2  ILE  42          1HG2      ILE  42 -12.993  -6.175  -6.175
  337   1HD1  ILE  42          1HD1      ILE  42 -14.285  -4.515  -4.515
  338   2HD1  ILE  42          3HD1      ILE  42 -15.440  -4.735  -4.735
  339   3HD1  ILE  42          2HD1      ILE  42 -15.256  -3.155  -3.155
  340    H    SER  43           H        SER  43  -9.054  -5.056  -5.056
  341    HA   SER  43           HA       SER  43  -7.686  -5.351  -5.351
  342   1HB   SER  43          2HB       SER  43  -7.555  -2.885  -2.885
  343   2HB   SER  43          1HB       SER  43  -6.828  -2.926  -2.926
  344    HG   SER  43           HG       SER  43  -5.052  -3.968  -3.968
  345    H    SER  44           H        SER  44  -5.639  -6.380  -6.380
  346    HA   SER  44           HA       SER  44  -5.323  -7.939  -7.939
  347   1HB   SER  44          2HB       SER  44  -2.794  -7.966  -7.966
  348   2HB   SER  44          1HB       SER  44  -4.096  -8.867  -8.867
  349    HG   SER  44           HG       SER  44  -2.997  -7.629  -7.629
  350    H    ALA  45           H        ALA  45  -4.823  -7.342  -7.342
  351    HA   ALA  45           HA       ALA  45  -4.323  -4.866  -4.866
  352   1HB   ALA  45          2HB       ALA  45  -4.786  -6.880  -6.880
  353   2HB   ALA  45          1HB       ALA  45  -3.132  -7.429  -7.429
  354   3HB   ALA  45          3HB       ALA  45  -3.432  -5.956  -5.956
  355    H    THR  46           H        THR  46  -1.579  -7.162  -7.162
  356    HA   THR  46           HA       THR  46   0.395  -5.200  -5.200
  357    HB   THR  46           HB       THR  46   0.898  -7.519  -7.519
  358    HG1  THR  46           HG1      THR  46   2.422  -6.566  -6.566
  359   1HG2  THR  46          2HG2      THR  46  -0.039  -7.663  -7.663
  360   2HG2  THR  46          1HG2      THR  46   1.363  -8.665  -8.665
  361   3HG2  THR  46          3HG2      THR  46  -0.134  -8.873  -8.873
  362    H    THR  47           H        THR  47  -1.278  -5.802  -5.802
  363    HA   THR  47           HA       THR  47   0.682  -4.695  -4.695
  364    HB   THR  47           HB       THR  47  -2.343  -4.664  -4.664
  365    HG1  THR  47           HG1      THR  47  -0.414  -6.559  -6.559
  366   1HG2  THR  47          3HG2      THR  47  -0.122  -3.746  -3.746
  367   2HG2  THR  47          2HG2      THR  47  -1.011  -5.032  -5.032
  368   3HG2  THR  47          1HG2      THR  47  -1.855  -3.580  -3.580
  369    H    VAL  48           H        VAL  48  -1.835  -3.368  -3.368
  370    HA   VAL  48           HA       VAL  48  -1.517  -0.614  -0.614
  371    HB   VAL  48           HB       VAL  48  -2.551  -1.597  -1.597
  372   1HG1  VAL  48          1HG1      VAL  48  -2.809   0.941   0.941
  373   2HG1  VAL  48          3HG1      VAL  48  -3.977   0.529   0.529
  374   3HG1  VAL  48          2HG1      VAL  48  -2.276   0.755   0.755
  375   1HG2  VAL  48          3HG2      VAL  48  -3.673  -1.877  -1.877
  376   2HG2  VAL  48          2HG2      VAL  48  -4.161  -2.657  -2.657
  377   3HG2  VAL  48          1HG2      VAL  48  -4.759  -1.046  -1.046
  378    H    LYS  49           H        LYS  49  -0.090  -2.755  -2.755
  379    HA   LYS  49           HA       LYS  49   1.409  -0.818  -0.818
  380   1HB   LYS  49          2HB       LYS  49   1.085  -3.168  -3.168
  381   2HB   LYS  49          1HB       LYS  49   2.113  -3.717  -3.717
  382   1HG   LYS  49          2HG       LYS  49   3.586  -1.695  -1.695
  383   2HG   LYS  49          1HG       LYS  49   2.881  -2.681  -2.681
  384   1HD   LYS  49          2HD       LYS  49   4.024  -4.203  -4.203
  385   2HD   LYS  49          1HD       LYS  49   5.197  -3.312  -3.312
  386   1HE   LYS  49          2HE       LYS  49   3.127  -4.859  -4.859
  387   2HE   LYS  49          1HE       LYS  49   4.380  -5.788  -5.788
  388   1HZ   LYS  49          3HZ       LYS  49   4.928  -3.526  -3.526
  389   2HZ   LYS  49          2HZ       LYS  49   4.955  -5.161  -5.161
  390   3HZ   LYS  49          1HZ       LYS  49   6.064  -4.582  -4.582
  391    H    ALA  50           H        ALA  50   1.785  -2.151  -2.151
  392    HA   ALA  50           HA       ALA  50   4.622  -1.508  -1.508
  393   1HB   ALA  50          3HB       ALA  50   2.612  -2.900  -2.900
  394   2HB   ALA  50          2HB       ALA  50   3.568  -1.802  -1.802
  395   3HB   ALA  50          1HB       ALA  50   4.367  -3.047  -3.047
  396    H    ILE  51           H        ILE  51   1.518  -0.008  -0.008
  397    HA   ILE  51           HA       ILE  51   2.691   2.117   2.117
  398    HB   ILE  51           HB       ILE  51   0.279   1.507   1.507
  399   1HG1  ILE  51          2HG1      ILE  51  -0.549   3.970   3.970
  400   2HG1  ILE  51          1HG1      ILE  51   1.135   4.325   4.325
  401   1HG2  ILE  51          1HG2      ILE  51   0.419   2.249   2.249
  402   2HG2  ILE  51          3HG2      ILE  51  -0.963   2.918   2.918
  403   3HG2  ILE  51          2HG2      ILE  51  -0.700   1.177   1.177
  404   1HD1  ILE  51          1HD1      ILE  51   0.185   2.858   2.858
  405   2HD1  ILE  51          3HD1      ILE  51   0.646   4.560   4.560
  406   3HD1  ILE  51          2HD1      ILE  51   1.850   3.310   3.310
  407    H    CYS  52           H        CYS  52   2.460   1.586   1.586
  408    HA   CYS  52           HA       CYS  52   3.210   4.403   4.403
  409   1HB   CYS  52          2HB       CYS  52   1.367   2.773   2.773
  410   2HB   CYS  52          1HB       CYS  52   2.767   2.622   2.622
  411    H    THR  53           H        THR  53   5.033   2.230   2.230
  412    HA   THR  53           HA       THR  53   6.907   1.780   1.780
  413    HB   THR  53           HB       THR  53   7.266   0.999   0.999
  414    HG1  THR  53           HG1      THR  53   6.506  -1.062  -1.062
  415   1HG2  THR  53          3HG2      THR  53   8.482  -0.004  -0.004
  416   2HG2  THR  53          2HG2      THR  53   8.778  -0.700  -0.700
  417   3HG2  THR  53          1HG2      THR  53   9.306   0.944   0.944
  418    H    GLY  54           H        GLY  54   8.324   3.392   3.392
  419   1HA   GLY  54          2HA       GLY  54   9.929   4.630   4.630
  420   2HA   GLY  54          1HA       GLY  54   8.820   5.754   5.754
  421    H    VAL  55           H        VAL  55   8.918   5.463   5.463
  422    HA   VAL  55           HA       VAL  55  11.531   4.765   4.765
  423    HB   VAL  55           HB       VAL  55  11.723   7.062   7.062
  424   1HG1  VAL  55          1HG1      VAL  55   9.562   7.867   7.867
  425   2HG1  VAL  55          3HG1      VAL  55  10.674   8.223   8.223
  426   3HG1  VAL  55          2HG1      VAL  55  10.897   8.992   8.992
  427   1HG2  VAL  55          1HG2      VAL  55  13.028   5.952   5.952
  428   2HG2  VAL  55          3HG2      VAL  55  13.600   7.297   7.297
  429   3HG2  VAL  55          2HG2      VAL  55  12.697   7.613   7.613
  430    H    ILE  56           H        ILE  56  11.329   6.276   6.276
  431    HA   ILE  56           HA       ILE  56   9.011   4.914   4.914
  432    HB   ILE  56           HB       ILE  56  11.259   4.782   4.782
  433   1HG1  ILE  56          2HG1      ILE  56   9.606   6.422   6.422
  434   2HG1  ILE  56          1HG1      ILE  56   8.977   4.881   4.881
  435   1HG2  ILE  56          3HG2      ILE  56  10.951   7.772   7.772
  436   2HG2  ILE  56          2HG2      ILE  56  11.920   6.971   6.971
  437   3HG2  ILE  56          1HG2      ILE  56  12.344   6.801   6.801
  438   1HD1  ILE  56          2HD1      ILE  56  11.545   4.191   4.191
  439   2HD1  ILE  56          1HD1      ILE  56  11.198   5.425   5.425
  440   3HD1  ILE  56          3HD1      ILE  56  10.162   4.005   4.005
  441    H    ASN  57           H        ASN  57   8.634   7.327   7.327
  442    HA   ASN  57           HA       ASN  57   6.497   8.665   8.665
  443   1HB   ASN  57          2HB       ASN  57   8.598   9.524   9.524
  444   2HB   ASN  57          1HB       ASN  57   8.874  10.510  10.510
  445   1HD2  ASN  57          2HD2      ASN  57   6.308  12.786  12.786
  446   2HD2  ASN  57          1HD2      ASN  57   7.621  12.390  12.390
  447    H    MET  58           H        MET  58   5.430   9.182   9.182
  448    HA   MET  58           HA       MET  58   6.784  10.808  10.808
  449   1HB   MET  58          2HB       MET  58   7.174   8.152   8.152
  450   2HB   MET  58          1HB       MET  58   5.636   8.301   8.301
  451   1HG   MET  58          2HG       MET  58   7.251  10.474  10.474
  452   2HG   MET  58          1HG       MET  58   8.262   9.030   9.030
  453   1HE   MET  58          2HE       MET  58   8.634   8.085   8.085
  454   2HE   MET  58          1HE       MET  58   7.623   7.856   7.856
  455   3HE   MET  58          3HE       MET  58   8.241   9.464   9.464
  456    H    ASN  59           H        ASN  59   5.290  10.932  10.932
  457    HA   ASN  59           HA       ASN  59   2.388  10.872  10.872
  458   1HB   ASN  59          2HB       ASN  59   2.172  13.166  13.166
  459   2HB   ASN  59          1HB       ASN  59   3.049  13.174  13.174
  460   1HD2  ASN  59          2HD2      ASN  59   4.953  14.285  14.285
  461   2HD2  ASN  59          1HD2      ASN  59   3.323  13.809  13.809
  462    H    VAL  60           H        VAL  60   1.633   9.530   9.530
  463    HA   VAL  60           HA       VAL  60   2.483  10.044  10.044
  464    HB   VAL  60           HB       VAL  60   3.912   8.240   8.240
  465   1HG1  VAL  60          3HG1      VAL  60   2.162   7.582   7.582
  466   2HG1  VAL  60          2HG1      VAL  60   1.408   6.625   6.625
  467   3HG1  VAL  60          1HG1      VAL  60   3.057   6.271   6.271
  468   1HG2  VAL  60          3HG2      VAL  60   2.886   8.155   8.155
  469   2HG2  VAL  60          2HG2      VAL  60   3.543   6.648   6.648
  470   3HG2  VAL  60          1HG2      VAL  60   1.801   6.924   6.924
  471    H    LEU  61           H        LEU  61   0.962   8.814   8.814
  472    HA   LEU  61           HA       LEU  61  -1.745   8.412   8.412
  473   1HB   LEU  61          2HB       LEU  61  -1.138   9.991   9.991
  474   2HB   LEU  61          1HB       LEU  61  -2.737   9.672   9.672
  475    HG   LEU  61           HG       LEU  61  -1.609  10.781  10.781
  476   1HD1  LEU  61          1HD1      LEU  61   0.563  11.108  11.108
  477   2HD1  LEU  61          3HD1      LEU  61  -0.273  12.171  12.171
  478   3HD1  LEU  61          2HD1      LEU  61  -0.144  12.618  12.618
  479   1HD2  LEU  61          2HD2      LEU  61  -3.620  11.425  11.425
  480   2HD2  LEU  61          1HD2      LEU  61  -2.941  12.622  12.622
  481   3HD2  LEU  61          3HD2      LEU  61  -2.491  12.637  12.637
  482    H    SER  62           H        SER  62  -2.724   6.591   6.591
  483    HA   SER  62           HA       SER  62  -1.510   4.762   4.762
  484   1HB   SER  62          2HB       SER  62  -4.244   4.200   4.200
  485   2HB   SER  62          1HB       SER  62  -3.093   3.474   3.474
  486    HG   SER  62           HG       SER  62  -3.694   4.907   4.907
  487    H    THR  63           H        THR  63  -0.975   5.917   5.917
  488    HA   THR  63           HA       THR  63  -2.934   7.560   7.560
  489    HB   THR  63           HB       THR  63  -1.045   7.522   7.522
  490    HG1  THR  63           HG1      THR  63   0.914   6.815   6.815
  491   1HG2  THR  63          1HG2      THR  63  -1.519   9.068   9.068
  492   2HG2  THR  63          3HG2      THR  63   0.195   8.666   8.666
  493   3HG2  THR  63          2HG2      THR  63  -0.429   9.476   9.476
  494    H    THR  64           H        THR  64  -1.434   4.380   4.380
  495    HA   THR  64           HA       THR  64  -2.519   3.800   3.800
  496    HB   THR  64           HB       THR  64  -2.580   1.342   1.342
  497    HG1  THR  64           HG1      THR  64  -0.792   2.542   2.542
  498   1HG2  THR  64          3HG2      THR  64  -0.925   2.375   2.375
  499   2HG2  THR  64          2HG2      THR  64   0.037   2.846   2.846
  500   3HG2  THR  64          1HG2      THR  64  -0.249   1.139   1.139
  501    H    ARG  65           H        ARG  65  -3.962   1.901   1.901
  502    HA   ARG  65           HA       ARG  65  -6.501   3.065   3.065
  503   1HB   ARG  65          2HB       ARG  65  -7.863   1.650   1.650
  504   2HB   ARG  65          1HB       ARG  65  -6.846   2.822   2.822
  505   1HG   ARG  65          2HG       ARG  65  -5.102   0.842   0.842
  506   2HG   ARG  65          1HG       ARG  65  -6.544  -0.153  -0.153
  507   1HD   ARG  65          2HD       ARG  65  -7.429   1.443   1.443
  508   2HD   ARG  65          1HD       ARG  65  -5.702   1.511   1.511
  509    HE   ARG  65           HE       ARG  65  -7.395  -0.731  -0.731
  510   1HH1  ARG  65          2HH1      ARG  65  -4.312   0.224   0.224
  511   2HH1  ARG  65          1HH1      ARG  65  -3.555  -1.300  -1.300
  512   1HH2  ARG  65          1HH2      ARG  65  -6.433  -2.756  -2.756
  513   2HH2  ARG  65          2HH2      ARG  65  -4.756  -2.987  -2.987
  514    H    PHE  66           H        PHE  66  -6.524   2.137   2.137
  515    HA   PHE  66           HA       PHE  66  -6.188  -0.831  -0.831
  516   1HB   PHE  66          2HB       PHE  66  -6.246   1.402   1.402
  517   2HB   PHE  66          1HB       PHE  66  -6.213  -0.303  -0.303
  518    HD1  PHE  66           HD1      PHE  66  -4.377   2.330   2.330
  519    HD2  PHE  66           HD2      PHE  66  -4.160  -1.553  -1.553
  520    HE1  PHE  66           HE1      PHE  66  -1.929   2.292   2.292
  521    HE2  PHE  66           HE2      PHE  66  -1.712  -1.578  -1.578
  522    HZ   PHE  66           HZ       PHE  66  -0.596   0.341   0.341
  523    H    GLN  67           H        GLN  67  -8.473  -0.212  -0.212
  524    HA   GLN  67           HA       GLN  67 -10.881   0.052   0.052
  525   1HB   GLN  67          2HB       GLN  67 -10.112  -2.698  -2.698
  526   2HB   GLN  67          1HB       GLN  67 -11.693  -2.265  -2.265
  527   1HG   GLN  67          2HG       GLN  67  -9.641  -1.351  -1.351
  528   2HG   GLN  67          1HG       GLN  67  -9.376  -3.054  -3.054
  529   1HE2  GLN  67          2HE2      GLN  67 -12.558  -1.957  -1.957
  530   2HE2  GLN  67          1HE2      GLN  67 -11.518  -0.790  -0.790
  531    H    LEU  68           H        LEU  68 -12.020   1.310   1.310
  532    HA   LEU  68           HA       LEU  68 -12.123   0.344   0.344
  533   1HB   LEU  68          2HB       LEU  68 -13.206   2.654   2.654
  534   2HB   LEU  68          1HB       LEU  68 -11.482   2.579   2.579
  535    HG   LEU  68           HG       LEU  68 -11.779   3.354   3.354
  536   1HD1  LEU  68          3HD1      LEU  68 -14.708   2.863   2.863
  537   2HD1  LEU  68          2HD1      LEU  68 -14.190   3.985   3.985
  538   3HD1  LEU  68          1HD1      LEU  68 -13.737   2.285   2.285
  539   1HD2  LEU  68          2HD2      LEU  68 -11.943   5.010   5.010
  540   2HD2  LEU  68          1HD2      LEU  68 -12.700   5.552   5.552
  541   3HD2  LEU  68          3HD2      LEU  68 -13.694   4.935   4.935
  542    H    ASN  69           H        ASN  69 -14.075   0.329   0.329
  543    HA   ASN  69           HA       ASN  69 -16.587  -0.001  -0.001
  544   1HB   ASN  69          2HB       ASN  69 -15.540  -2.052  -2.052
  545   2HB   ASN  69          1HB       ASN  69 -16.244  -1.233  -1.233
  546   1HD2  ASN  69          2HD2      ASN  69 -18.696  -3.589  -3.589
  547   2HD2  ASN  69          1HD2      ASN  69 -17.046  -3.807  -3.807
  548    H    THR  70           H        THR  70 -17.332   2.161   2.161
  549    HA   THR  70           HA       THR  70 -17.246   3.235   3.235
  550    HB   THR  70           HB       THR  70 -17.921   4.737   4.737
  551    HG1  THR  70           HG1      THR  70 -15.847   3.861   3.861
  552   1HG2  THR  70          2HG2      THR  70 -18.091   5.427   5.427
  553   2HG2  THR  70          1HG2      THR  70 -16.595   6.170   6.170
  554   3HG2  THR  70          3HG2      THR  70 -18.121   6.532   6.532
  555    H    CYS  71           H        CYS  71 -18.936   3.448   3.448
  556    HA   CYS  71           HA       CYS  71 -21.692   3.418   3.418
  557   1HB   CYS  71          2HB       CYS  71 -20.786   2.619   2.619
  558   2HB   CYS  71          1HB       CYS  71 -22.467   2.726   2.726
  559    H    THR  72           H        THR  72 -22.159   5.594   5.594
  560    HA   THR  72           HA       THR  72 -21.107   7.433   7.433
  561    HB   THR  72           HB       THR  72 -22.152   8.242   8.242
  562    HG1  THR  72           HG1      THR  72 -20.054   8.029   8.029
  563   1HG2  THR  72          1HG2      THR  72 -20.346   9.508   9.508
  564   2HG2  THR  72          3HG2      THR  72 -20.465  10.103  10.103
  565   3HG2  THR  72          2HG2      THR  72 -21.884  10.117  10.117
  566    H    ARG  73           H        ARG  73 -22.420   8.959   8.959
  567    HA   ARG  73           HA       ARG  73 -25.181   8.342   8.342
  568   1HB   ARG  73          2HB       ARG  73 -23.444   9.727   9.727
  569   2HB   ARG  73          1HB       ARG  73 -24.098  11.085  11.085
  570   1HG   ARG  73          2HG       ARG  73 -26.367  10.521  10.521
  571   2HG   ARG  73          1HG       ARG  73 -25.758   9.108   9.108
  572   1HD   ARG  73          2HD       ARG  73 -25.642  10.504  10.504
  573   2HD   ARG  73          1HD       ARG  73 -24.172  11.106  11.106
  574    HE   ARG  73           HE       ARG  73 -25.594  12.905  12.905
  575   1HH1  ARG  73          2HH1      ARG  73 -27.800  10.960  10.960
  576   2HH1  ARG  73          1HH1      ARG  73 -28.501  12.179  12.179
  577   1HH2  ARG  73          1HH2      ARG  73 -26.061  14.542  14.542
  578   2HH2  ARG  73          2HH2      ARG  73 -27.517  14.207  14.207
  579    H    THR  74           H        THR  74 -26.773   8.662   8.662
  580    HA   THR  74           HA       THR  74 -26.481  10.982  10.982
  581    HB   THR  74           HB       THR  74 -28.241   9.578   9.578
  582    HG1  THR  74           HG1      THR  74 -28.472   7.576   7.576
  583   1HG2  THR  74          1HG2      THR  74 -25.761  10.056  10.056
  584   2HG2  THR  74          3HG2      THR  74 -25.447   8.451   8.451
  585   3HG2  THR  74          2HG2      THR  74 -26.470   8.633   8.633
  586    H    SER  75           H        SER  75 -29.444   9.115   9.115
  587    HA   SER  75           HA       SER  75 -30.633  11.492  11.492
  588   1HB   SER  75          2HB       SER  75 -31.038  11.439  11.439
  589   2HB   SER  75          1HB       SER  75 -32.164  10.133  10.133
  590    HG   SER  75           HG       SER  75 -33.455  11.775  11.775
  591    H    ILE  76           H        ILE  76 -32.500  10.995  10.995
  592    HA   ILE  76           HA       ILE  76 -32.504   8.430   8.430
  593    HB   ILE  76           HB       ILE  76 -34.578   9.258   9.258
  594   1HG1  ILE  76          2HG1      ILE  76 -34.763  11.905  11.905
  595   2HG1  ILE  76          1HG1      ILE  76 -34.483  11.088  11.088
  596   1HG2  ILE  76          1HG2      ILE  76 -32.163   9.954   9.954
  597   2HG2  ILE  76          3HG2      ILE  76 -32.558  11.494  11.494
  598   3HG2  ILE  76          2HG2      ILE  76 -33.473  10.945  10.945
  599   1HD1  ILE  76          3HD1      ILE  76 -36.404   9.620   9.620
  600   2HD1  ILE  76          2HD1      ILE  76 -36.922  11.286  11.286
  601   3HD1  ILE  76          1HD1      ILE  76 -36.574  10.255  10.255
  602    H    THR  77           H        THR  77 -33.331   6.584   6.584
  603    HA   THR  77           HA       THR  77 -35.949   6.290   6.290
  604    HB   THR  77           HB       THR  77 -33.714   6.580   6.580
  605    HG1  THR  77           HG1      THR  77 -35.272   7.719   7.719
  606   1HG2  THR  77          1HG2      THR  77 -36.162   4.839   4.839
  607   2HG2  THR  77          3HG2      THR  77 -35.014   5.329   5.329
  608   3HG2  THR  77          2HG2      THR  77 -34.497   4.264   4.264
  609    HA   PRO  78           HA       PRO  78 -33.750   2.039   2.039
  610   1HB   PRO  78          2HB       PRO  78 -31.009   1.957   1.957
  611   2HB   PRO  78          1HB       PRO  78 -31.886   1.998   1.998
  612   1HG   PRO  78          2HG       PRO  78 -30.410   4.206   4.206
  613   2HG   PRO  78          1HG       PRO  78 -30.641   3.925   3.925
  614   1HD   PRO  78          2HD       PRO  78 -32.078   5.792   5.792
  615   2HD   PRO  78          1HD       PRO  78 -32.591   5.116   5.116
  616    H    ARG  79           H        ARG  79 -31.813   0.956   0.956
  617    HA   ARG  79           HA       ARG  79 -31.696   2.530   2.530
  618   1HB   ARG  79          2HB       ARG  79 -33.665   0.385   0.385
  619   2HB   ARG  79          1HB       ARG  79 -32.711   0.184   0.184
  620   1HG   ARG  79          2HG       ARG  79 -33.387   2.296   2.296
  621   2HG   ARG  79          1HG       ARG  79 -34.000   2.823   2.823
  622   1HD   ARG  79          2HD       ARG  79 -35.604   0.766   0.766
  623   2HD   ARG  79          1HD       ARG  79 -35.212   0.879   0.879
  624    HE   ARG  79           HE       ARG  79 -36.956   2.668   2.668
  625   1HH1  ARG  79          2HH1      ARG  79 -34.908   4.642   4.642
  626   2HH1  ARG  79          1HH1      ARG  79 -35.315   5.096   5.096
  627   1HH2  ARG  79          1HH2      ARG  79 -37.336   2.336   2.336
  628   2HH2  ARG  79          2HH2      ARG  79 -36.686   3.793   3.793
  629    HA   PRO  80           HA       PRO  80 -31.546   1.455   1.455
  630   1HB   PRO  80          2HB       PRO  80 -29.422   1.997   1.997
  631   2HB   PRO  80          1HB       PRO  80 -30.250   0.430   0.430
  632   1HG   PRO  80          2HG       PRO  80 -27.597   1.200   1.200
  633   2HG   PRO  80          1HG       PRO  80 -28.148  -0.375  -0.375
  634   1HD   PRO  80          2HD       PRO  80 -27.956   0.340   0.340
  635   2HD   PRO  80          1HD       PRO  80 -28.920  -1.011  -1.011
  636    H    CYS  81           H        CYS  81 -28.464   2.696   2.696
  637    HA   CYS  81           HA       CYS  81 -29.461   5.479   5.479
  638   1HB   CYS  81          2HB       CYS  81 -26.862   4.265   4.265
  639   2HB   CYS  81          1HB       CYS  81 -26.761   5.521   5.521
  640    HA   PRO  82           HA       PRO  82 -29.860   5.809   5.809
  641   1HB   PRO  82          2HB       PRO  82 -29.118   8.409   8.409
  642   2HB   PRO  82          1HB       PRO  82 -30.661   7.961   7.961
  643   1HG   PRO  82          2HG       PRO  82 -28.222   9.110   9.110
  644   2HG   PRO  82          1HG       PRO  82 -29.921   9.283   9.283
  645   1HD   PRO  82          2HD       PRO  82 -28.062   7.577   7.577
  646   2HD   PRO  82          1HD       PRO  82 -29.832   7.472   7.472
  647    H    TYR  83           H        TYR  83 -28.236   4.475   4.475
  648    HA   TYR  83           HA       TYR  83 -25.703   5.870   5.870
  649   1HB   TYR  83          2HB       TYR  83 -25.930   3.295   3.295
  650   2HB   TYR  83          1HB       TYR  83 -24.594   3.520   3.520
  651    HD1  TYR  83           HD2      TYR  83 -26.367   5.258   5.258
  652    HD2  TYR  83           HD1      TYR  83 -22.695   4.656   4.656
  653    HE1  TYR  83           HE2      TYR  83 -25.174   6.662   6.662
  654    HE2  TYR  83           HE1      TYR  83 -21.505   6.054   6.054
  655    HH   TYR  83           HH       TYR  83 -21.825   7.614   7.614
  656    H    SER  84           H        SER  84 -24.994   5.422   5.422
  657    HA   SER  84           HA       SER  84 -26.458   3.317   3.317
  658   1HB   SER  84          2HB       SER  84 -25.650   4.803   4.803
  659   2HB   SER  84          1HB       SER  84 -27.001   5.399   5.399
  660    HG   SER  84           HG       SER  84 -24.334   6.247   6.247
  661    H    SER  85           H        SER  85 -25.145   1.637   1.637
  662    HA   SER  85           HA       SER  85 -22.243   1.826   1.826
  663   1HB   SER  85          2HB       SER  85 -22.374  -0.637  -0.637
  664   2HB   SER  85          1HB       SER  85 -23.215  -0.215  -0.215
  665    HG   SER  85           HG       SER  85 -24.666  -1.338  -1.338
  666    H    ARG  86           H        ARG  86 -20.661   1.654   1.654
  667    HA   ARG  86           HA       ARG  86 -21.367   1.248   1.248
  668   1HB   ARG  86          2HB       ARG  86 -21.760   3.708   3.708
  669   2HB   ARG  86          1HB       ARG  86 -20.042   3.843   3.843
  670   1HG   ARG  86          2HG       ARG  86 -19.413   3.195   3.195
  671   2HG   ARG  86          1HG       ARG  86 -21.057   2.694   2.694
  672   1HD   ARG  86          2HD       ARG  86 -20.869   5.492   5.492
  673   2HD   ARG  86          1HD       ARG  86 -19.978   5.161   5.161
  674    HE   ARG  86           HE       ARG  86 -22.365   3.972   3.972
  675   1HH1  ARG  86          2HH1      ARG  86 -23.264   5.941   5.941
  676   2HH1  ARG  86          1HH1      ARG  86 -23.893   7.230   7.230
  677   1HH2  ARG  86          1HH2      ARG  86 -22.413   6.101   6.101
  678   2HH2  ARG  86          2HH2      ARG  86 -23.411   7.321   7.321
  679    H    THR  87           H        THR  87 -19.407   1.059   1.059
  680    HA   THR  87           HA       THR  87 -16.892   0.569   0.569
  681    HB   THR  87           HB       THR  87 -17.908  -1.146  -1.146
  682    HG1  THR  87           HG1      THR  87 -18.875  -2.334  -2.334
  683   1HG2  THR  87          2HG2      THR  87 -15.633  -1.455  -1.455
  684   2HG2  THR  87          1HG2      THR  87 -16.134  -2.691  -2.691
  685   3HG2  THR  87          3HG2      THR  87 -15.485  -1.157  -1.157
  686    H    GLU  88           H        GLU  88 -14.994   1.231   1.231
  687    HA   GLU  88           HA       GLU  88 -14.898   1.802   1.802
  688   1HB   GLU  88          2HB       GLU  88 -16.067   3.809   3.809
  689   2HB   GLU  88          1HB       GLU  88 -14.431   4.377   4.377
  690   1HG   GLU  88          2HG       GLU  88 -15.025   4.963   4.963
  691   2HG   GLU  88          1HG       GLU  88 -15.451   3.292   3.292
  692    H    THR  89           H        THR  89 -12.896   3.608   3.608
  693    HA   THR  89           HA       THR  89 -10.534   2.150   2.150
  694    HB   THR  89           HB       THR  89 -10.871   5.066   5.066
  695    HG1  THR  89           HG1      THR  89 -10.916   4.299   4.299
  696   1HG2  THR  89          2HG2      THR  89  -8.548   3.597   3.597
  697   2HG2  THR  89          1HG2      THR  89  -8.410   3.937   3.937
  698   3HG2  THR  89          3HG2      THR  89  -8.650   5.257   5.257
  699    H    ASN  90           H        ASN  90  -9.005   2.573   2.573
  700    HA   ASN  90           HA       ASN  90 -10.067   4.334   4.334
  701   1HB   ASN  90          2HB       ASN  90  -9.726   1.829   1.829
  702   2HB   ASN  90          1HB       ASN  90  -8.007   2.205   2.205
  703   1HD2  ASN  90          2HD2      ASN  90  -8.436   2.881   2.881
  704   2HD2  ASN  90          1HD2      ASN  90  -7.781   1.814   1.814
  705    H    TYR  91           H        TYR  91  -9.207   6.220   6.220
  706    HA   TYR  91           HA       TYR  91  -6.237   6.529   6.529
  707   1HB   TYR  91          2HB       TYR  91  -8.058   7.590   7.590
  708   2HB   TYR  91          1HB       TYR  91  -8.112   8.827   8.827
  709    HD1  TYR  91           HD1      TYR  91  -5.781   9.711   9.711
  710    HD2  TYR  91           HD2      TYR  91  -6.404   7.694   7.694
  711    HE1  TYR  91           HE1      TYR  91  -3.683  10.700  10.700
  712    HE2  TYR  91           HE2      TYR  91  -4.308   8.679   8.679
  713    HH   TYR  91           HH       TYR  91  -2.274   9.661   9.661
  714    H    ILE  92           H        ILE  92  -5.620   6.631   6.631
  715    HA   ILE  92           HA       ILE  92  -7.203   8.497   8.497
  716    HB   ILE  92           HB       ILE  92  -5.839   5.947   5.947
  717   1HG1  ILE  92          2HG1      ILE  92  -7.663   5.406   5.406
  718   2HG1  ILE  92          1HG1      ILE  92  -8.114   4.969   4.969
  719   1HG2  ILE  92          1HG2      ILE  92  -7.820   7.812   7.812
  720   2HG2  ILE  92          3HG2      ILE  92  -7.341   6.255   6.255
  721   3HG2  ILE  92          2HG2      ILE  92  -6.154   7.541   7.541
  722   1HD1  ILE  92          3HD1      ILE  92  -8.948   7.644   7.644
  723   2HD1  ILE  92          2HD1      ILE  92  -9.399   6.842   6.842
  724   3HD1  ILE  92          1HD1      ILE  92  -9.977   6.213   6.213
  725    H    CYS  93           H        CYS  93  -6.033   9.326   9.326
  726    HA   CYS  93           HA       CYS  93  -3.104   9.727   9.727
  727   1HB   CYS  93          2HB       CYS  93  -4.437  11.798  11.798
  728   2HB   CYS  93          1HB       CYS  93  -5.075  11.602  11.602
  729    H    VAL  94           H        VAL  94  -2.098   8.330   8.330
  730    HA   VAL  94           HA       VAL  94  -3.092   8.183   8.183
  731    HB   VAL  94           HB       VAL  94  -3.115   6.070   6.070
  732   1HG1  VAL  94          3HG1      VAL  94  -0.127   6.324   6.324
  733   2HG1  VAL  94          2HG1      VAL  94  -0.940   4.859   4.859
  734   3HG1  VAL  94          1HG1      VAL  94  -0.980   6.313   6.313
  735   1HG2  VAL  94          3HG2      VAL  94  -2.922   6.369   6.369
  736   2HG2  VAL  94          2HG2      VAL  94  -2.858   4.775   4.775
  737   3HG2  VAL  94          1HG2      VAL  94  -1.365   5.582   5.582
  738    H    LYS  95           H        LYS  95  -1.192   7.568   7.568
  739    HA   LYS  95           HA       LYS  95   1.232   9.067   9.067
  740   1HB   LYS  95          2HB       LYS  95  -0.500   9.361   9.361
  741   2HB   LYS  95          1HB       LYS  95   1.241   9.572   9.572
  742   1HG   LYS  95          2HG       LYS  95   1.188  11.180  11.180
  743   2HG   LYS  95          1HG       LYS  95  -0.571  11.088  11.088
  744   1HD   LYS  95          2HD       LYS  95  -0.571  11.919  11.919
  745   2HD   LYS  95          1HD       LYS  95   1.193  11.944  11.944
  746   1HE   LYS  95          2HE       LYS  95   1.021  13.492  13.492
  747   2HE   LYS  95          1HE       LYS  95  -0.684  13.663  13.663
  748   1HZ   LYS  95          2HZ       LYS  95   1.503  14.154  14.154
  749   2HZ   LYS  95          1HZ       LYS  95   0.851  15.379  15.379
  750   3HZ   LYS  95          3HZ       LYS  95  -0.135  14.582  14.582
  751    H    CYS  96           H        CYS  96   3.230   8.109   8.109
  752    HA   CYS  96           HA       CYS  96   2.895   5.344   5.344
  753   1HB   CYS  96          2HB       CYS  96   5.388   6.280   6.280
  754   2HB   CYS  96          1HB       CYS  96   4.731   4.652   4.652
  755    H    GLU  97           H        GLU  97   3.413   5.049   5.049
  756    HA   GLU  97           HA       GLU  97   5.943   6.203   6.203
  757   1HB   GLU  97          2HB       GLU  97   4.136   7.343   7.343
  758   2HB   GLU  97          1HB       GLU  97   3.318   5.814   5.814
  759   1HG   GLU  97          2HG       GLU  97   4.964   5.113   5.113
  760   2HG   GLU  97          1HG       GLU  97   6.142   6.284   6.284
  761    H    ASN  98           H        ASN  98   7.179   4.509   4.509
  762    HA   ASN  98           HA       ASN  98   7.862   2.226   2.226
  763   1HB   ASN  98          2HB       ASN  98   4.899   2.064   2.064
  764   2HB   ASN  98          1HB       ASN  98   5.956   0.654   0.654
  765   1HD2  ASN  98          1HD2      ASN  98   4.803   3.300   3.300
  766   2HD2  ASN  98          2HD2      ASN  98   5.957   3.262   3.262
  767    H    GLN  99           H        GLN  99   7.034   3.362   3.362
  768    HA   GLN  99           HA       GLN  99   6.579   2.908   2.908
  769   1HB   GLN  99          2HB       GLN  99   7.537   0.802   0.802
  770   2HB   GLN  99          1HB       GLN  99   8.642   1.645   1.645
  771   1HG   GLN  99          2HG       GLN  99   8.171   0.118   0.118
  772   2HG   GLN  99          1HG       GLN  99   6.842  -0.616  -0.616
  773   1HE2  GLN  99          2HE2      GLN  99   8.969  -2.616  -2.616
  774   2HE2  GLN  99          1HE2      GLN  99   7.413  -1.955  -1.955
  775    H    TYR 100           H        TYR 100   4.443   1.884   1.884
  776    HA   TYR 100           HA       TYR 100   2.813   0.526   0.526
  777   1HB   TYR 100          2HB       TYR 100   2.140  -1.086  -1.086
  778   2HB   TYR 100          1HB       TYR 100   3.414  -0.540  -0.540
  779    HD1  TYR 100           HD2      TYR 100  -0.167   0.295   0.295
  780    HD2  TYR 100           HD1      TYR 100   2.820   0.088   0.088
  781    HE1  TYR 100           HE2      TYR 100  -1.844   1.003   1.003
  782    HE2  TYR 100           HE1      TYR 100   1.128   0.785   0.785
  783    HH   TYR 100           HH       TYR 100  -1.902   2.062   2.062
  784    HA   PRO 101           HA       PRO 101   0.493   4.271   4.271
  785   1HB   PRO 101          2HB       PRO 101  -2.070   3.328   3.328
  786   2HB   PRO 101          1HB       PRO 101  -0.873   3.587   3.587
  787   1HG   PRO 101          2HG       PRO 101  -1.687   1.014   1.014
  788   2HG   PRO 101          1HG       PRO 101  -1.242   1.309   1.309
  789   1HD   PRO 101          2HD       PRO 101   0.493   0.169   0.169
  790   2HD   PRO 101          1HD       PRO 101   1.043   1.178   1.178
  791    H    VAL 102           H        VAL 102   0.912   4.662   4.662
  792    HA   VAL 102           HA       VAL 102  -0.745   3.434   3.434
  793    HB   VAL 102           HB       VAL 102   1.479   5.489   5.489
  794   1HG1  VAL 102          2HG1      VAL 102  -0.079   4.401   4.401
  795   2HG1  VAL 102          1HG1      VAL 102   1.455   5.265   5.265
  796   3HG1  VAL 102          3HG1      VAL 102   0.032   6.085   6.085
  797   1HG2  VAL 102          1HG2      VAL 102   1.647   2.801   2.801
  798   2HG2  VAL 102          3HG2      VAL 102   2.870   3.771   3.771
  799   3HG2  VAL 102          2HG2      VAL 102   1.636   2.941   2.941
  800    H    HIS 103           H        HIS 103  -0.818   6.324   6.324
  801    HA   HIS 103           HA       HIS 103  -3.098   7.296   7.296
  802   1HB   HIS 103          2HB       HIS 103  -1.736   9.625   9.625
  803   2HB   HIS 103          1HB       HIS 103  -1.893   9.071   9.071
  804    HD1  HIS 103           HD1      HIS 103   0.375   9.148   9.148
  805    HD2  HIS 103           HD2      HIS 103   0.604   7.740   7.740
  806    HE1  HIS 103           HE1      HIS 103   2.796   8.498   8.498
  807    H    PHE 104           H        PHE 104  -4.717   8.364   8.364
  808    HA   PHE 104           HA       PHE 104  -4.153   8.231   8.231
  809   1HB   PHE 104          2HB       PHE 104  -6.404   7.181   7.181
  810   2HB   PHE 104          1HB       PHE 104  -6.991   8.549   8.549
  811    HD1  PHE 104           HD2      PHE 104  -4.973   8.393   8.393
  812    HD2  PHE 104           HD1      PHE 104  -7.321   5.351   5.351
  813    HE1  PHE 104           HE2      PHE 104  -4.817   7.041   7.041
  814    HE2  PHE 104           HE1      PHE 104  -7.189   3.974   3.974
  815    HZ   PHE 104           HZ       PHE 104  -5.947   4.824   4.824
  816    H    ALA 105           H        ALA 105  -4.230  10.099  10.099
  817    HA   ALA 105           HA       ALA 105  -4.790  12.596  12.596
  818   1HB   ALA 105          1HB       ALA 105  -2.590  12.273  12.273
  819   2HB   ALA 105          3HB       ALA 105  -3.433  12.271  12.271
  820   3HB   ALA 105          2HB       ALA 105  -3.449  13.716  13.716
  821    H    GLY 106           H        GLY 106  -6.055  10.771  10.771
  822   1HA   GLY 106          2HA       GLY 106  -8.482  12.260  12.260
  823   2HA   GLY 106          1HA       GLY 106  -7.408  12.883  12.883
  824    H    ILE 107           H        ILE 107  -9.569  11.894  11.894
  825    HA   ILE 107           HA       ILE 107  -9.288   9.013   9.013
  826    HB   ILE 107           HB       ILE 107 -11.443   9.360   9.360
  827   1HG1  ILE 107          2HG1      ILE 107 -11.576  12.061  12.061
  828   2HG1  ILE 107          1HG1      ILE 107 -10.837  11.903  11.903
  829   1HG2  ILE 107          2HG2      ILE 107 -11.014   9.888   9.888
  830   2HG2  ILE 107          1HG2      ILE 107 -12.635  10.162  10.162
  831   3HG2  ILE 107          3HG2      ILE 107 -11.886   8.571   8.571
  832   1HD1  ILE 107          3HD1      ILE 107 -13.571  10.779  10.779
  833   2HD1  ILE 107          2HD1      ILE 107 -13.345  12.427  12.427
  834   3HD1  ILE 107          1HD1      ILE 107 -12.847  11.059  11.059
  835    H    GLY 108           H        GLY 108  -7.373  11.121  11.121
  836   1HA   GLY 108          2HA       GLY 108  -6.282  10.316  10.316
  837   2HA   GLY 108          1HA       GLY 108  -7.823  10.802  10.802
  838    H    ARG 109           H        ARG 109  -8.430  13.153  13.153
  839    HA   ARG 109           HA       ARG 109  -6.551  15.012  15.012
  840   1HB   ARG 109          2HB       ARG 109  -9.147  15.239  15.239
  841   2HB   ARG 109          1HB       ARG 109  -8.154  16.683  16.683
  842   1HG   ARG 109          2HG       ARG 109  -9.214  16.865  16.865
  843   2HG   ARG 109          1HG       ARG 109  -8.078  15.622  15.622
  844   1HD   ARG 109          2HD       ARG 109  -9.886  14.360  14.360
  845   2HD   ARG 109          1HD       ARG 109 -10.118  14.177  14.177
  846    HE   ARG 109           HE       ARG 109 -11.393  16.413  16.413
  847   1HH1  ARG 109          2HH1      ARG 109 -12.457  17.172  17.172
  848   2HH1  ARG 109          1HH1      ARG 109 -13.616  16.013  16.013
  849   1HH2  ARG 109          1HH2      ARG 109 -12.453  13.467  13.467
  850   2HH2  ARG 109          2HH2      ARG 109 -13.612  13.913  13.913
  851    H    CYS 110           H        CYS 110  -4.814  15.917  15.917
  852    HA   CYS 110           HA       CYS 110  -4.740  16.249  16.249
  853   1HB   CYS 110          2HB       CYS 110  -3.189  14.368  14.368
  854   2HB   CYS 110          1HB       CYS 110  -2.129  15.473  15.473
  855    HA   PRO 111           HA       PRO 111  -2.687  20.061  20.061
  856   1HB   PRO 111          2HB       PRO 111  -0.833  20.378  20.378
  857   2HB   PRO 111          1HB       PRO 111  -2.572  20.627  20.627
  858   1HG   PRO 111          2HG       PRO 111  -0.865  18.339  18.339
  859   2HG   PRO 111          1HG       PRO 111  -2.345  18.981  18.981
  860   1HD   PRO 111          1HD       PRO 111  -2.191  16.668  16.668
  861   2HD   PRO 111          2HD       PRO 111  -3.676  17.558  17.558

  Start of MODEL    4
    1    HN   PCA   1           HN       PCA   1  -3.270   3.814   3.814
    2    HA   PCA   1           HA       PCA   1  -2.106   4.685   4.685
    3   1HB   PCA   1          1HB       PCA   1  -3.507   5.096   5.096
    4   2HB   PCA   1          2HB       PCA   1  -3.865   3.362   3.362
    5   1HG   PCA   1          1HG       PCA   1  -5.520   5.452   5.452
    6   2HG   PCA   1          2HG       PCA   1  -5.887   3.722   3.722
    7    H    ASN   2           H        ASN   2  -3.766   1.691   1.691
    8    HA   ASN   2           HA       ASN   2  -1.323   0.164   0.164
    9   1HB   ASN   2          2HB       ASN   2  -2.805   0.011   0.011
   10   2HB   ASN   2          1HB       ASN   2  -4.112  -0.565  -0.565
   11   1HD2  ASN   2          2HD2      ASN   2  -3.056  -3.878  -3.878
   12   2HD2  ASN   2          1HD2      ASN   2  -4.341  -2.770  -2.770
   13    H    TRP   3           H        TRP   3  -1.279  -1.952  -1.952
   14    HA   TRP   3           HA       TRP   3  -2.140  -1.842  -1.842
   15   1HB   TRP   3          2HB       TRP   3  -0.285  -3.323  -3.323
   16   2HB   TRP   3          1HB       TRP   3  -1.359  -4.509  -4.509
   17    HD1  TRP   3           HD1      TRP   3   1.773  -3.114  -3.114
   18    HE1  TRP   3           HE1      TRP   3   2.458  -3.132  -3.132
   19    HE3  TRP   3           HE3      TRP   3  -2.823  -3.683  -3.683
   20    HZ2  TRP   3           HZ2      TRP   3   1.251  -3.367  -3.367
   21    HZ3  TRP   3           HZ3      TRP   3  -3.003  -3.821  -3.821
   22    HH2  TRP   3           HH2      TRP   3  -0.970  -3.666  -3.666
   23    H    ALA   4           H        ALA   4  -3.413  -3.518  -3.518
   24    HA   ALA   4           HA       ALA   4  -5.157  -5.347  -5.347
   25   1HB   ALA   4          3HB       ALA   4  -4.495  -4.735  -4.735
   26   2HB   ALA   4          2HB       ALA   4  -6.248  -4.806  -4.806
   27   3HB   ALA   4          1HB       ALA   4  -5.262  -6.183  -6.183
   28    H    THR   5           H        THR   5  -5.998  -2.468  -2.468
   29    HA   THR   5           HA       THR   5  -8.698  -2.282  -2.282
   30    HB   THR   5           HB       THR   5  -6.950   0.005   0.005
   31    HG1  THR   5           HG1      THR   5  -8.600  -1.765  -1.765
   32   1HG2  THR   5          2HG2      THR   5  -9.721  -0.220  -0.220
   33   2HG2  THR   5          1HG2      THR   5  -9.612   0.195   0.195
   34   3HG2  THR   5          3HG2      THR   5  -8.822   1.210   1.210
   35    H    PHE   6           H        PHE   6  -5.640  -1.069  -1.069
   36    HA   PHE   6           HA       PHE   6  -6.819   0.609   0.609
   37   1HB   PHE   6          2HB       PHE   6  -4.527   0.988   0.988
   38   2HB   PHE   6          1HB       PHE   6  -4.066  -0.559  -0.559
   39    HD1  PHE   6           HD2      PHE   6  -4.255  -0.909  -0.909
   40    HD2  PHE   6           HD1      PHE   6  -4.749   2.990   2.990
   41    HE1  PHE   6           HE2      PHE   6  -3.912   0.134   0.134
   42    HE2  PHE   6           HE1      PHE   6  -4.415   4.044   4.044
   43    HZ   PHE   6           HZ       PHE   6  -3.993   2.600   2.600
   44    H    GLN   7           H        GLN   7  -6.101  -2.772  -2.772
   45    HA   GLN   7           HA       GLN   7  -5.940  -3.556  -3.556
   46   1HB   GLN   7          2HB       GLN   7  -5.524  -5.110  -5.110
   47   2HB   GLN   7          1HB       GLN   7  -7.263  -5.126  -5.126
   48   1HG   GLN   7          2HG       GLN   7  -7.694  -6.081  -6.081
   49   2HG   GLN   7          1HG       GLN   7  -5.998  -5.913  -5.913
   50   1HE2  GLN   7          2HE2      GLN   7  -6.847  -8.750  -8.750
   51   2HE2  GLN   7          1HE2      GLN   7  -7.722  -7.296  -7.296
   52    H    GLN   8           H        GLN   8  -8.640  -2.857  -2.857
   53    HA   GLN   8           HA       GLN   8 -10.683  -3.471  -3.471
   54   1HB   GLN   8          2HB       GLN   8 -10.644  -2.372  -2.372
   55   2HB   GLN   8          1HB       GLN   8 -11.973  -1.840  -1.840
   56   1HG   GLN   8          2HG       GLN   8 -12.800  -3.815  -3.815
   57   2HG   GLN   8          1HG       GLN   8 -12.261  -4.342  -4.342
   58   1HE2  GLN   8          2HE2      GLN   8 -10.611  -6.025  -6.025
   59   2HE2  GLN   8          1HE2      GLN   8 -12.028  -5.091  -5.091
   60    H    LYS   9           H        LYS   9  -8.845  -0.668  -0.668
   61    HA   LYS   9           HA       LYS   9 -10.191   1.485   1.485
   62   1HB   LYS   9          2HB       LYS   9  -8.123   1.718   1.718
   63   2HB   LYS   9          1HB       LYS   9  -7.170   1.120   1.120
   64   1HG   LYS   9          2HG       LYS   9  -7.128   3.566   3.566
   65   2HG   LYS   9          1HG       LYS   9  -7.937   3.017   3.017
   66   1HD   LYS   9          2HD       LYS   9  -9.959   3.864   3.864
   67   2HD   LYS   9          1HD       LYS   9  -9.735   3.377   3.377
   68   1HE   LYS   9          2HE       LYS   9  -8.016   5.270   5.270
   69   2HE   LYS   9          1HE       LYS   9  -8.660   5.838   5.838
   70   1HZ   LYS   9          1HZ       LYS   9 -10.492   5.243   5.243
   71   2HZ   LYS   9          3HZ       LYS   9  -9.652   6.716   6.716
   72   3HZ   LYS   9          2HZ       LYS   9 -10.697   6.316   6.316
   73    H    HIS  10           H        HIS  10  -7.671  -0.371  -0.371
   74    HA   HIS  10           HA       HIS  10  -8.944   0.646   0.646
   75   1HB   HIS  10          2HB       HIS  10  -6.155   0.201   0.201
   76   2HB   HIS  10          1HB       HIS  10  -6.572  -0.627  -0.627
   77    HD1  HIS  10           HD1      HIS  10  -5.708   0.920   0.920
   78    HD2  HIS  10           HD2      HIS  10  -7.976   2.924   2.924
   79    HE1  HIS  10           HE1      HIS  10  -6.095   3.250   3.250
   80    H    ILE  11           H        ILE  11  -9.183  -2.152  -2.152
   81    HA   ILE  11           HA       ILE  11  -9.724  -3.630  -3.630
   82    HB   ILE  11           HB       ILE  11  -8.337  -4.928  -4.928
   83   1HG1  ILE  11          2HG1      ILE  11  -6.486  -4.928  -4.928
   84   2HG1  ILE  11          1HG1      ILE  11  -7.337  -3.457  -3.457
   85   1HG2  ILE  11          1HG2      ILE  11  -9.805  -6.109  -6.109
   86   2HG2  ILE  11          3HG2      ILE  11  -8.244  -6.007  -6.007
   87   3HG2  ILE  11          2HG2      ILE  11  -8.382  -6.857  -6.857
   88   1HD1  ILE  11          3HD1      ILE  11  -6.391  -3.949  -3.949
   89   2HD1  ILE  11          2HD1      ILE  11  -5.388  -3.148  -3.148
   90   3HD1  ILE  11          1HD1      ILE  11  -6.916  -2.424  -2.424
   91    H    ILE  12           H        ILE  12 -11.966  -2.804  -2.804
   92    HA   ILE  12           HA       ILE  12 -13.228  -4.868  -4.868
   93    HB   ILE  12           HB       ILE  12 -14.454  -2.366  -2.366
   94   1HG1  ILE  12          2HG1      ILE  12 -13.464  -2.981  -2.981
   95   2HG1  ILE  12          1HG1      ILE  12 -12.867  -1.741  -1.741
   96   1HG2  ILE  12          2HG2      ILE  12 -15.528  -4.461  -4.461
   97   2HG2  ILE  12          1HG2      ILE  12 -16.326  -2.917  -2.917
   98   3HG2  ILE  12          3HG2      ILE  12 -16.129  -4.073  -4.073
   99   1HD1  ILE  12          1HD1      ILE  12 -15.654  -1.291  -1.291
  100   2HD1  ILE  12          3HD1      ILE  12 -15.005  -1.551  -1.551
  101   3HD1  ILE  12          2HD1      ILE  12 -14.335  -0.283  -0.283
  102    H    ASN  13           H        ASN  13 -12.372  -6.204  -6.204
  103    HA   ASN  13           HA       ASN  13 -13.490  -5.976  -5.976
  104   1HB   ASN  13          2HB       ASN  13 -11.473  -7.454  -7.454
  105   2HB   ASN  13          1HB       ASN  13 -12.733  -8.690  -8.690
  106   1HD2  ASN  13          2HD2      ASN  13 -11.040  -7.544  -7.544
  107   2HD2  ASN  13          1HD2      ASN  13 -10.455  -7.038  -7.038
  108    H    THR  14           H        THR  14 -15.727  -5.630  -5.630
  109    HA   THR  14           HA       THR  14 -17.275  -8.135  -8.135
  110    HB   THR  14           HB       THR  14 -19.057  -6.614  -6.614
  111    HG1  THR  14           HG1      THR  14 -18.622  -4.586  -4.586
  112   1HG2  THR  14          1HG2      THR  14 -16.367  -7.071  -7.071
  113   2HG2  THR  14          3HG2      THR  14 -17.646  -6.248  -6.248
  114   3HG2  THR  14          2HG2      THR  14 -17.893  -7.897  -7.897
  115    HA   PRO  15           HA       PRO  15 -18.203  -6.322  -6.322
  116   1HB   PRO  15          2HB       PRO  15 -18.635  -8.720  -8.720
  117   2HB   PRO  15          1HB       PRO  15 -17.044  -7.958  -7.958
  118   1HG   PRO  15          2HG       PRO  15 -18.176 -10.301 -10.301
  119   2HG   PRO  15          1HG       PRO  15 -16.487  -9.907  -9.907
  120   1HD   PRO  15          2HD       PRO  15 -17.771  -9.553  -9.553
  121   2HD   PRO  15          1HD       PRO  15 -16.218  -8.822  -8.822
  122    H    ILE  16           H        ILE  16 -20.084  -7.957  -7.957
  123    HA   ILE  16           HA       ILE  16 -22.479  -8.584  -8.584
  124    HB   ILE  16           HB       ILE  16 -23.574  -8.235  -8.235
  125   1HG1  ILE  16          2HG1      ILE  16 -20.820  -7.533  -7.533
  126   2HG1  ILE  16          1HG1      ILE  16 -21.944  -6.274  -6.274
  127   1HG2  ILE  16          2HG2      ILE  16 -21.905 -10.212 -10.212
  128   2HG2  ILE  16          1HG2      ILE  16 -21.013  -9.615  -9.615
  129   3HG2  ILE  16          3HG2      ILE  16 -22.673 -10.183 -10.183
  130   1HD1  ILE  16          3HD1      ILE  16 -23.562  -7.800  -7.800
  131   2HD1  ILE  16          2HD1      ILE  16 -22.006  -7.997  -7.997
  132   3HD1  ILE  16          1HD1      ILE  16 -22.674  -6.383  -6.383
  133    H    ILE  17           H        ILE  17 -24.548  -7.058  -7.058
  134    HA   ILE  17           HA       ILE  17 -23.954  -4.305  -4.305
  135    HB   ILE  17           HB       ILE  17 -25.255  -5.674  -5.674
  136   1HG1  ILE  17          2HG1      ILE  17 -27.324  -3.794  -3.794
  137   2HG1  ILE  17          1HG1      ILE  17 -25.725  -3.099  -3.099
  138   1HG2  ILE  17          2HG2      ILE  17 -27.124  -5.934  -5.934
  139   2HG2  ILE  17          1HG2      ILE  17 -27.675  -6.170  -6.170
  140   3HG2  ILE  17          3HG2      ILE  17 -26.425  -7.217  -7.217
  141   1HD1  ILE  17          3HD1      ILE  17 -26.984  -4.868  -4.868
  142   2HD1  ILE  17          2HD1      ILE  17 -27.408  -3.159  -3.159
  143   3HD1  ILE  17          1HD1      ILE  17 -25.737  -3.640  -3.640
  144    H    ASN  18           H        ASN  18 -23.771  -4.985  -4.985
  145    HA   ASN  18           HA       ASN  18 -25.947  -3.267  -3.267
  146   1HB   ASN  18          2HB       ASN  18 -25.076  -5.879  -5.879
  147   2HB   ASN  18          1HB       ASN  18 -26.352  -4.799  -4.799
  148   1HD2  ASN  18          2HD2      ASN  18 -28.780  -6.270  -6.270
  149   2HD2  ASN  18          1HD2      ASN  18 -28.433  -5.267  -5.267
  150    H    CYS  19           H        CYS  19 -24.578  -1.563  -1.563
  151    HA   CYS  19           HA       CYS  19 -21.963  -2.027  -2.027
  152   1HB   CYS  19          2HB       CYS  19 -23.367   0.648   0.648
  153   2HB   CYS  19          1HB       CYS  19 -21.640   0.324   0.324
  154    H    ASN  20           H        ASN  20 -25.100  -2.105  -2.105
  155    HA   ASN  20           HA       ASN  20 -24.519  -0.726  -0.726
  156   1HB   ASN  20          2HB       ASN  20 -26.818  -1.707  -1.707
  157   2HB   ASN  20          1HB       ASN  20 -26.770  -0.472  -0.472
  158   1HD2  ASN  20          2HD2      ASN  20 -27.900  -2.644  -2.644
  159   2HD2  ASN  20          1HD2      ASN  20 -27.201  -1.138  -1.138
  160    H    THR  21           H        THR  21 -25.407  -4.142  -4.142
  161    HA   THR  21           HA       THR  21 -24.765  -5.075  -5.075
  162    HB   THR  21           HB       THR  21 -24.810  -6.731  -6.731
  163    HG1  THR  21           HG1      THR  21 -26.857  -6.010  -6.010
  164   1HG2  THR  21          1HG2      THR  21 -24.901  -7.332  -7.332
  165   2HG2  THR  21          3HG2      THR  21 -25.624  -8.436  -8.436
  166   3HG2  THR  21          2HG2      THR  21 -23.900  -8.075  -8.075
  167    H    ILE  22           H        ILE  22 -22.747  -4.399  -4.399
  168    HA   ILE  22           HA       ILE  22 -20.488  -5.981  -5.981
  169    HB   ILE  22           HB       ILE  22 -19.250  -5.070  -5.070
  170   1HG1  ILE  22          2HG1      ILE  22 -20.894  -3.673  -3.673
  171   2HG1  ILE  22          1HG1      ILE  22 -21.557  -3.172  -3.172
  172   1HG2  ILE  22          1HG2      ILE  22 -20.854  -6.981  -6.981
  173   2HG2  ILE  22          3HG2      ILE  22 -22.070  -5.820  -5.820
  174   3HG2  ILE  22          2HG2      ILE  22 -20.599  -6.047  -6.047
  175   1HD1  ILE  22          2HD1      ILE  22 -18.858  -2.955  -2.955
  176   2HD1  ILE  22          1HD1      ILE  22 -18.974  -2.499  -2.499
  177   3HD1  ILE  22          3HD1      ILE  22 -19.903  -1.620  -1.620
  178    H    MET  23           H        MET  23 -21.547  -2.611  -2.611
  179    HA   MET  23           HA       MET  23 -19.092  -1.615  -1.615
  180   1HB   MET  23          2HB       MET  23 -20.584  -0.306  -0.306
  181   2HB   MET  23          1HB       MET  23 -21.716  -0.138  -0.138
  182   1HG   MET  23          2HG       MET  23 -19.300   0.568   0.568
  183   2HG   MET  23          1HG       MET  23 -19.166   1.237   1.237
  184   1HE   MET  23          2HE       MET  23 -21.028   2.691   2.691
  185   2HE   MET  23          1HE       MET  23 -22.259   1.525   1.525
  186   3HE   MET  23          3HE       MET  23 -22.492   3.248   3.248
  187    H    ASP  24           H        ASP  24 -21.813  -3.273  -3.273
  188    HA   ASP  24           HA       ASP  24 -22.476  -1.916  -1.916
  189   1HB   ASP  24          2HB       ASP  24 -22.548  -4.821  -4.821
  190   2HB   ASP  24          1HB       ASP  24 -23.052  -4.332  -4.332
  191    H    ASN  25           H        ASN  25 -20.527  -1.135  -1.135
  192    HA   ASN  25           HA       ASN  25 -19.176  -2.971  -2.971
  193   1HB   ASN  25          2HB       ASN  25 -17.980  -3.438  -3.438
  194   2HB   ASN  25          1HB       ASN  25 -17.537  -1.746  -1.746
  195   1HD2  ASN  25          2HD2      ASN  25 -15.924  -3.720  -3.720
  196   2HD2  ASN  25          1HD2      ASN  25 -17.572  -3.923  -3.923
  197    H    ASN  26           H        ASN  26 -17.856  -1.831  -1.831
  198    HA   ASN  26           HA       ASN  26 -18.662   0.943   0.943
  199   1HB   ASN  26          2HB       ASN  26 -18.102  -0.787  -0.787
  200   2HB   ASN  26          1HB       ASN  26 -16.405  -0.490  -0.490
  201   1HD2  ASN  26          2HD2      ASN  26 -16.350   2.747   2.747
  202   2HD2  ASN  26          1HD2      ASN  26 -15.537   1.677   1.677
  203    H    ILE  27           H        ILE  27 -16.258  -0.439  -0.439
  204    HA   ILE  27           HA       ILE  27 -14.317   1.758   1.758
  205    HB   ILE  27           HB       ILE  27 -14.363  -0.477  -0.477
  206   1HG1  ILE  27          2HG1      ILE  27 -12.802  -0.374  -0.374
  207   2HG1  ILE  27          1HG1      ILE  27 -14.348  -1.210  -1.210
  208   1HG2  ILE  27          1HG2      ILE  27 -12.374   1.611   1.611
  209   2HG2  ILE  27          3HG2      ILE  27 -11.801   0.058   0.058
  210   3HG2  ILE  27          2HG2      ILE  27 -12.811   1.086   1.086
  211   1HD1  ILE  27          2HD1      ILE  27 -13.078  -2.226  -2.226
  212   2HD1  ILE  27          1HD1      ILE  27 -11.689  -1.933  -1.933
  213   3HD1  ILE  27          3HD1      ILE  27 -13.002  -2.977  -2.977
  214    H    TYR  28           H        TYR  28 -17.264   1.801   1.801
  215    HA   TYR  28           HA       TYR  28 -16.416   3.654   3.654
  216   1HB   TYR  28          2HB       TYR  28 -18.350   1.336   1.336
  217   2HB   TYR  28          1HB       TYR  28 -18.353   2.685   2.685
  218    HD1  TYR  28           HD2      TYR  28 -15.865   3.396   3.396
  219    HD2  TYR  28           HD1      TYR  28 -17.059  -0.511  -0.511
  220    HE1  TYR  28           HE2      TYR  28 -13.944   2.400   2.400
  221    HE2  TYR  28           HE1      TYR  28 -15.126  -1.506  -1.506
  222    HH   TYR  28           HH       TYR  28 -12.588   0.430   0.430
  223    H    ILE  29           H        ILE  29 -17.139   4.848   4.848
  224    HA   ILE  29           HA       ILE  29 -19.824   5.978   5.978
  225    HB   ILE  29           HB       ILE  29 -19.150   4.919   4.919
  226   1HG1  ILE  29          2HG1      ILE  29 -21.096   3.834   3.834
  227   2HG1  ILE  29          1HG1      ILE  29 -19.574   3.073   3.073
  228   1HG2  ILE  29          3HG2      ILE  29 -21.302   6.595   6.595
  229   2HG2  ILE  29          2HG2      ILE  29 -21.835   5.343   5.343
  230   3HG2  ILE  29          1HG2      ILE  29 -20.679   6.560   6.560
  231   1HD1  ILE  29          1HD1      ILE  29 -21.258   3.698   3.698
  232   2HD1  ILE  29          3HD1      ILE  29 -22.023   2.580   2.580
  233   3HD1  ILE  29          2HD1      ILE  29 -20.451   2.190   2.190
  234    H    VAL  30           H        VAL  30 -20.036   8.102   8.102
  235    HA   VAL  30           HA       VAL  30 -17.544   9.308   9.308
  236    HB   VAL  30           HB       VAL  30 -18.439   9.968   9.968
  237   1HG1  VAL  30          3HG1      VAL  30 -20.790  10.283  10.283
  238   2HG1  VAL  30          2HG1      VAL  30 -20.295  11.668  11.668
  239   3HG1  VAL  30          1HG1      VAL  30 -20.105  11.709  11.709
  240   1HG2  VAL  30          2HG2      VAL  30 -16.941  11.296  11.296
  241   2HG2  VAL  30          1HG2      VAL  30 -17.115  11.765  11.765
  242   3HG2  VAL  30          3HG2      VAL  30 -18.145  12.501  12.501
  243    H    GLY  31           H        GLY  31 -18.712  11.731  11.731
  244   1HA   GLY  31          2HA       GLY  31 -20.151  10.609  10.609
  245   2HA   GLY  31          1HA       GLY  31 -19.352  12.172  12.172
  246    H    GLY  32           H        GLY  32 -22.132  10.478  10.478
  247   1HA   GLY  32          2HA       GLY  32 -23.979  12.553  12.553
  248   2HA   GLY  32          1HA       GLY  32 -23.598  12.679  12.679
  249    H    GLN  33           H        GLN  33 -23.598  10.388  10.388
  250    HA   GLN  33           HA       GLN  33 -25.509   8.405   8.405
  251   1HB   GLN  33          2HB       GLN  33 -27.035  10.228  10.228
  252   2HB   GLN  33          1HB       GLN  33 -26.288  10.154  10.154
  253   1HG   GLN  33          2HG       GLN  33 -27.234   8.099   8.099
  254   2HG   GLN  33          1HG       GLN  33 -27.354   7.622   7.622
  255   1HE2  GLN  33          2HE2      GLN  33 -30.472   9.310   9.310
  256   2HE2  GLN  33          1HE2      GLN  33 -29.086   8.724   8.724
  257    H    CYS  34           H        CYS  34 -24.481   9.739   9.739
  258    HA   CYS  34           HA       CYS  34 -22.464   7.801   7.801
  259   1HB   CYS  34          2HB       CYS  34 -23.598   6.471   6.471
  260   2HB   CYS  34          1HB       CYS  34 -24.371   6.232   6.232
  261    H    LYS  35           H        LYS  35 -21.179   8.831   8.831
  262    HA   LYS  35           HA       LYS  35 -21.793  11.361  11.361
  263   1HB   LYS  35          2HB       LYS  35 -19.523   9.805   9.805
  264   2HB   LYS  35          1HB       LYS  35 -19.844   9.797   9.797
  265   1HG   LYS  35          2HG       LYS  35 -19.659  12.132  12.132
  266   2HG   LYS  35          1HG       LYS  35 -19.972  12.382  12.382
  267   1HD   LYS  35          2HD       LYS  35 -17.801  11.569  11.569
  268   2HD   LYS  35          1HD       LYS  35 -17.494  10.988  10.988
  269   1HE   LYS  35          2HE       LYS  35 -17.735  13.405  13.405
  270   2HE   LYS  35          1HE       LYS  35 -17.716  13.867  13.867
  271   1HZ   LYS  35          1HZ       LYS  35 -15.588  12.077  12.077
  272   2HZ   LYS  35          3HZ       LYS  35 -15.525  13.655  13.655
  273   3HZ   LYS  35          2HZ       LYS  35 -15.541  13.395  13.395
  274    H    ARG  36           H        ARG  36 -21.422  11.621  11.621
  275    HA   ARG  36           HA       ARG  36 -23.658  10.062  10.062
  276   1HB   ARG  36          2HB       ARG  36 -22.519  12.817  12.817
  277   2HB   ARG  36          1HB       ARG  36 -23.501  12.024  12.024
  278   1HG   ARG  36          2HG       ARG  36 -25.365  11.823  11.823
  279   2HG   ARG  36          1HG       ARG  36 -24.385  12.435  12.435
  280   1HD   ARG  36          2HD       ARG  36 -24.933  14.013  14.013
  281   2HD   ARG  36          1HD       ARG  36 -25.900  14.166  14.166
  282    HE   ARG  36           HE       ARG  36 -23.189  15.204  15.204
  283   1HH1  ARG  36          2HH1      ARG  36 -22.948  13.680  13.680
  284   2HH1  ARG  36          1HH1      ARG  36 -23.505  14.808  14.808
  285   1HH2  ARG  36          1HH2      ARG  36 -25.068  16.872  16.872
  286   2HH2  ARG  36          2HH2      ARG  36 -24.705  16.614  16.614
  287    H    VAL  37           H        VAL  37 -20.637   9.348   9.348
  288    HA   VAL  37           HA       VAL  37 -20.442   8.326   8.326
  289    HB   VAL  37           HB       VAL  37 -19.677  10.704  10.704
  290   1HG1  VAL  37          1HG1      VAL  37 -18.688  10.966  10.966
  291   2HG1  VAL  37          3HG1      VAL  37 -17.400   9.848   9.848
  292   3HG1  VAL  37          2HG1      VAL  37 -17.553  11.400  11.400
  293   1HG2  VAL  37          1HG2      VAL  37 -17.801   8.383   8.383
  294   2HG2  VAL  37          3HG2      VAL  37 -18.784   9.246   9.246
  295   3HG2  VAL  37          2HG2      VAL  37 -17.346  10.010  10.010
  296    H    ASN  38           H        ASN  38 -19.321   6.505   6.505
  297    HA   ASN  38           HA       ASN  38 -17.271   5.967   5.967
  298   1HB   ASN  38          2HB       ASN  38 -19.794   4.843   4.843
  299   2HB   ASN  38          1HB       ASN  38 -18.905   3.617   3.617
  300   1HD2  ASN  38          2HD2      ASN  38 -18.336   3.816   3.816
  301   2HD2  ASN  38          1HD2      ASN  38 -19.666   4.493   4.493
  302    H    THR  39           H        THR  39 -15.596   6.079   6.079
  303    HA   THR  39           HA       THR  39 -15.790   4.830   4.830
  304    HB   THR  39           HB       THR  39 -13.314   6.059   6.059
  305    HG1  THR  39           HG1      THR  39 -15.504   7.344   7.344
  306   1HG2  THR  39          1HG2      THR  39 -13.399   4.803   4.803
  307   2HG2  THR  39          3HG2      THR  39 -14.299   6.206   6.206
  308   3HG2  THR  39          2HG2      THR  39 -12.656   6.402   6.402
  309    H    PHE  40           H        PHE  40 -15.534   2.708   2.708
  310    HA   PHE  40           HA       PHE  40 -13.566   1.267   1.267
  311   1HB   PHE  40          2HB       PHE  40 -15.604   0.139   0.139
  312   2HB   PHE  40          1HB       PHE  40 -14.723  -0.754  -0.754
  313    HD1  PHE  40           HD1      PHE  40 -14.904   0.891   0.891
  314    HD2  PHE  40           HD2      PHE  40 -17.866   0.152   0.152
  315    HE1  PHE  40           HE1      PHE  40 -16.698   1.362   1.362
  316    HE2  PHE  40           HE2      PHE  40 -19.660   0.627   0.627
  317    HZ   PHE  40           HZ       PHE  40 -19.077   1.233   1.233
  318    H    ILE  41           H        ILE  41 -12.066  -0.318  -0.318
  319    HA   ILE  41           HA       ILE  41 -11.568   0.598   0.598
  320    HB   ILE  41           HB       ILE  41  -9.470   0.217   0.217
  321   1HG1  ILE  41          2HG1      ILE  41  -9.103   2.711   2.711
  322   2HG1  ILE  41          1HG1      ILE  41 -10.748   2.598   2.598
  323   1HG2  ILE  41          2HG2      ILE  41  -8.782  -0.500  -0.500
  324   2HG2  ILE  41          1HG2      ILE  41  -9.130   1.142   1.142
  325   3HG2  ILE  41          3HG2      ILE  41  -7.851   0.856   0.856
  326   1HD1  ILE  41          2HD1      ILE  41 -10.728   1.443   1.443
  327   2HD1  ILE  41          1HD1      ILE  41  -9.906   3.001   3.001
  328   3HD1  ILE  41          3HD1      ILE  41 -11.550   2.907   2.907
  329    H    ILE  42           H        ILE  42 -11.399  -1.044  -1.044
  330    HA   ILE  42           HA       ILE  42 -11.252  -3.835  -3.835
  331    HB   ILE  42           HB       ILE  42 -11.586  -3.151  -3.151
  332   1HG1  ILE  42          2HG1      ILE  42 -13.981  -3.453  -3.453
  333   2HG1  ILE  42          1HG1      ILE  42 -13.252  -1.863  -1.863
  334   1HG2  ILE  42          2HG2      ILE  42 -11.327  -5.505  -5.505
  335   2HG2  ILE  42          1HG2      ILE  42 -13.068  -5.297  -5.297
  336   3HG2  ILE  42          3HG2      ILE  42 -12.350  -5.306  -5.306
  337   1HD1  ILE  42          3HD1      ILE  42 -13.792  -3.482  -3.482
  338   2HD1  ILE  42          2HD1      ILE  42 -15.156  -2.705  -2.705
  339   3HD1  ILE  42          1HD1      ILE  42 -13.810  -1.731  -1.731
  340    H    SER  43           H        SER  43  -9.184  -4.487  -4.487
  341    HA   SER  43           HA       SER  43  -7.402  -4.960  -4.960
  342   1HB   SER  43          2HB       SER  43  -7.143  -2.498  -2.498
  343   2HB   SER  43          1HB       SER  43  -6.701  -2.502  -2.502
  344    HG   SER  43           HG       SER  43  -5.258  -3.262  -3.262
  345    H    SER  44           H        SER  44  -5.569  -6.131  -6.131
  346    HA   SER  44           HA       SER  44  -5.724  -7.385  -7.385
  347   1HB   SER  44          2HB       SER  44  -3.336  -8.179  -8.179
  348   2HB   SER  44          1HB       SER  44  -4.663  -8.674  -8.674
  349    HG   SER  44           HG       SER  44  -3.089  -7.850  -7.850
  350    H    ALA  45           H        ALA  45  -4.921  -6.691  -6.691
  351    HA   ALA  45           HA       ALA  45  -4.080  -4.105  -4.105
  352   1HB   ALA  45          1HB       ALA  45  -3.577  -6.716  -6.716
  353   2HB   ALA  45          3HB       ALA  45  -2.958  -5.200  -5.200
  354   3HB   ALA  45          2HB       ALA  45  -4.693  -5.421  -5.421
  355    H    THR  46           H        THR  46  -2.050  -6.785  -6.785
  356    HA   THR  46           HA       THR  46   0.435  -5.396  -5.396
  357    HB   THR  46           HB       THR  46   0.390  -7.800  -7.800
  358    HG1  THR  46           HG1      THR  46   2.310  -6.733  -6.733
  359   1HG2  THR  46          2HG2      THR  46  -0.729  -7.475  -7.475
  360   2HG2  THR  46          1HG2      THR  46   0.399  -8.808  -8.808
  361   3HG2  THR  46          3HG2      THR  46  -1.058  -8.715  -8.715
  362    H    THR  47           H        THR  47  -1.553  -5.715  -5.715
  363    HA   THR  47           HA       THR  47   0.400  -4.669  -4.669
  364    HB   THR  47           HB       THR  47  -1.745  -3.825  -3.825
  365    HG1  THR  47           HG1      THR  47  -3.623  -4.757  -4.757
  366   1HG2  THR  47          1HG2      THR  47  -0.972  -6.675  -6.675
  367   2HG2  THR  47          3HG2      THR  47  -2.338  -6.318  -6.318
  368   3HG2  THR  47          2HG2      THR  47  -0.729  -5.724  -5.724
  369    H    VAL  48           H        VAL  48  -1.989  -3.220  -3.220
  370    HA   VAL  48           HA       VAL  48  -1.485  -0.469  -0.469
  371    HB   VAL  48           HB       VAL  48  -2.554  -1.535  -1.535
  372   1HG1  VAL  48          1HG1      VAL  48  -1.811   1.000   1.000
  373   2HG1  VAL  48          3HG1      VAL  48  -3.458   1.027   1.027
  374   3HG1  VAL  48          2HG1      VAL  48  -3.167   0.617   0.617
  375   1HG2  VAL  48          2HG2      VAL  48  -3.769  -1.268  -1.268
  376   2HG2  VAL  48          1HG2      VAL  48  -4.140  -2.413  -2.413
  377   3HG2  VAL  48          3HG2      VAL  48  -4.757  -0.763  -0.763
  378    H    LYS  49           H        LYS  49  -0.182  -2.743  -2.743
  379    HA   LYS  49           HA       LYS  49   1.437  -0.939  -0.939
  380   1HB   LYS  49          2HB       LYS  49   0.941  -3.274  -3.274
  381   2HB   LYS  49          1HB       LYS  49   1.946  -3.872  -3.872
  382   1HG   LYS  49          2HG       LYS  49   3.251  -1.862  -1.862
  383   2HG   LYS  49          1HG       LYS  49   2.870  -3.390  -3.390
  384   1HD   LYS  49          2HD       LYS  49   4.124  -4.644  -4.644
  385   2HD   LYS  49          1HD       LYS  49   4.307  -3.231  -3.231
  386   1HE   LYS  49          2HE       LYS  49   6.334  -3.068  -3.068
  387   2HE   LYS  49          1HE       LYS  49   5.384  -2.259  -2.259
  388   1HZ   LYS  49          1HZ       LYS  49   5.074  -4.853  -4.853
  389   2HZ   LYS  49          3HZ       LYS  49   6.656  -4.852  -4.852
  390   3HZ   LYS  49          2HZ       LYS  49   6.243  -3.824  -3.824
  391    H    ALA  50           H        ALA  50   1.779  -2.274  -2.274
  392    HA   ALA  50           HA       ALA  50   4.658  -1.804  -1.804
  393   1HB   ALA  50          3HB       ALA  50   2.596  -3.076  -3.076
  394   2HB   ALA  50          2HB       ALA  50   3.633  -2.041  -2.041
  395   3HB   ALA  50          1HB       ALA  50   4.340  -3.328  -3.328
  396    H    ILE  51           H        ILE  51   1.678  -0.106  -0.106
  397    HA   ILE  51           HA       ILE  51   3.013   1.927   1.927
  398    HB   ILE  51           HB       ILE  51   0.572   1.453   1.453
  399   1HG1  ILE  51          2HG1      ILE  51  -0.130   3.903   3.903
  400   2HG1  ILE  51          1HG1      ILE  51   1.470   4.255   4.255
  401   1HG2  ILE  51          2HG2      ILE  51   0.695   2.171   2.171
  402   2HG2  ILE  51          1HG2      ILE  51  -0.593   2.992   2.992
  403   3HG2  ILE  51          3HG2      ILE  51  -0.511   1.231   1.231
  404   1HD1  ILE  51          1HD1      ILE  51   1.177   2.614   2.614
  405   2HD1  ILE  51          3HD1      ILE  51   1.119   4.375   4.375
  406   3HD1  ILE  51          2HD1      ILE  51   2.559   3.565   3.565
  407    H    CYS  52           H        CYS  52   2.642   1.466   1.466
  408    HA   CYS  52           HA       CYS  52   3.516   4.256   4.256
  409   1HB   CYS  52          2HB       CYS  52   1.607   2.651   2.651
  410   2HB   CYS  52          1HB       CYS  52   2.984   2.571   2.571
  411    H    THR  53           H        THR  53   5.258   2.027   2.027
  412    HA   THR  53           HA       THR  53   7.085   1.449   1.449
  413    HB   THR  53           HB       THR  53   7.487   0.828   0.828
  414    HG1  THR  53           HG1      THR  53   6.556  -1.147  -1.147
  415   1HG2  THR  53          3HG2      THR  53   8.824   0.073   0.073
  416   2HG2  THR  53          2HG2      THR  53   8.778  -1.110  -1.110
  417   3HG2  THR  53          1HG2      THR  53   9.543   0.458   0.458
  418    H    GLY  54           H        GLY  54   8.406   3.114   3.114
  419   1HA   GLY  54          2HA       GLY  54  10.174   4.348   4.348
  420   2HA   GLY  54          1HA       GLY  54   9.004   5.476   5.476
  421    H    VAL  55           H        VAL  55   8.888   5.111   5.111
  422    HA   VAL  55           HA       VAL  55  11.415   4.464   4.464
  423    HB   VAL  55           HB       VAL  55  11.705   6.731   6.731
  424   1HG1  VAL  55          3HG1      VAL  55   9.412   7.495   7.495
  425   2HG1  VAL  55          2HG1      VAL  55  10.495   8.016   8.016
  426   3HG1  VAL  55          1HG1      VAL  55  10.705   8.644   8.644
  427   1HG2  VAL  55          3HG2      VAL  55  12.847   5.671   5.671
  428   2HG2  VAL  55          2HG2      VAL  55  13.435   7.084   7.084
  429   3HG2  VAL  55          1HG2      VAL  55  12.384   7.290   7.290
  430    H    ILE  56           H        ILE  56  11.107   5.822   5.822
  431    HA   ILE  56           HA       ILE  56   8.648   4.568   4.568
  432    HB   ILE  56           HB       ILE  56   9.594   5.197   5.197
  433   1HG1  ILE  56          2HG1      ILE  56  12.053   6.119   6.119
  434   2HG1  ILE  56          1HG1      ILE  56  10.766   7.259   7.259
  435   1HG2  ILE  56          2HG2      ILE  56  11.068   3.613   3.613
  436   2HG2  ILE  56          1HG2      ILE  56  11.898   3.930   3.930
  437   3HG2  ILE  56          3HG2      ILE  56  10.348   3.089   3.089
  438   1HD1  ILE  56          3HD1      ILE  56  10.935   6.651   6.651
  439   2HD1  ILE  56          2HD1      ILE  56  12.229   5.515   5.515
  440   3HD1  ILE  56          1HD1      ILE  56  12.479   7.246   7.246
  441    H    ASN  57           H        ASN  57   8.547   7.098   7.098
  442    HA   ASN  57           HA       ASN  57   6.376   8.475   8.475
  443   1HB   ASN  57          2HB       ASN  57   8.432   9.162   9.162
  444   2HB   ASN  57          1HB       ASN  57   8.847  10.184  10.184
  445   1HD2  ASN  57          2HD2      ASN  57   6.383  12.584  12.584
  446   2HD2  ASN  57          1HD2      ASN  57   7.740  12.158  12.158
  447    H    MET  58           H        MET  58   5.474   8.987   8.987
  448    HA   MET  58           HA       MET  58   6.950  10.712  10.712
  449   1HB   MET  58          2HB       MET  58   7.504   8.123   8.123
  450   2HB   MET  58          1HB       MET  58   5.977   8.160   8.160
  451   1HG   MET  58          2HG       MET  58   6.786   9.604   9.604
  452   2HG   MET  58          1HG       MET  58   8.000  10.298  10.298
  453   1HE   MET  58          2HE       MET  58   8.302   9.846   9.846
  454   2HE   MET  58          1HE       MET  58  10.031   9.651   9.651
  455   3HE   MET  58          3HE       MET  58   9.136   8.432   8.432
  456    H    ASN  59           H        ASN  59   5.629  10.988  10.988
  457    HA   ASN  59           HA       ASN  59   2.681  10.798  10.798
  458   1HB   ASN  59          2HB       ASN  59   3.471  13.116  13.116
  459   2HB   ASN  59          1HB       ASN  59   4.191  13.206  13.206
  460   1HD2  ASN  59          2HD2      ASN  59   1.095  13.757  13.757
  461   2HD2  ASN  59          1HD2      ASN  59   2.742  13.393  13.393
  462    H    VAL  60           H        VAL  60   2.101   9.370   9.370
  463    HA   VAL  60           HA       VAL  60   3.421   9.722   9.722
  464    HB   VAL  60           HB       VAL  60   2.298   7.129   7.129
  465   1HG1  VAL  60          2HG1      VAL  60   3.802   7.975   7.975
  466   2HG1  VAL  60          1HG1      VAL  60   4.162   6.388   6.388
  467   3HG1  VAL  60          3HG1      VAL  60   2.519   6.775   6.775
  468   1HG2  VAL  60          3HG2      VAL  60   5.074   8.311   8.311
  469   2HG2  VAL  60          2HG2      VAL  60   4.084   7.631   7.631
  470   3HG2  VAL  60          1HG2      VAL  60   4.800   6.571   6.571
  471    H    LEU  61           H        LEU  61   1.996   8.838   8.838
  472    HA   LEU  61           HA       LEU  61  -0.904   9.301   9.301
  473   1HB   LEU  61          2HB       LEU  61   0.685  10.344  10.344
  474   2HB   LEU  61          1HB       LEU  61  -1.063  10.471  10.471
  475    HG   LEU  61           HG       LEU  61  -0.327  11.528  11.528
  476   1HD1  LEU  61          2HD1      LEU  61   2.005  11.817  11.817
  477   2HD1  LEU  61          1HD1      LEU  61   1.635  13.117  13.117
  478   3HD1  LEU  61          3HD1      LEU  61   2.008  11.504  11.504
  479   1HD2  LEU  61          2HD2      LEU  61  -1.767  12.570  12.570
  480   2HD2  LEU  61          1HD2      LEU  61  -0.622  13.734  13.734
  481   3HD2  LEU  61          3HD2      LEU  61  -0.325  13.012  13.012
  482    H    SER  62           H        SER  62  -1.897   7.363   7.363
  483    HA   SER  62           HA       SER  62  -0.898   5.267   5.267
  484   1HB   SER  62          2HB       SER  62  -3.846   5.578   5.578
  485   2HB   SER  62          1HB       SER  62  -2.846   4.141   4.141
  486    HG   SER  62           HG       SER  62  -3.311   6.151   6.151
  487    H    THR  63           H        THR  63  -0.320   6.182   6.182
  488    HA   THR  63           HA       THR  63  -2.239   7.777   7.777
  489    HB   THR  63           HB       THR  63  -0.368   7.455   7.455
  490    HG1  THR  63           HG1      THR  63   1.412   6.518   6.518
  491   1HG2  THR  63          3HG2      THR  63  -0.572   9.139   9.139
  492   2HG2  THR  63          2HG2      THR  63   1.098   8.947   8.947
  493   3HG2  THR  63          1HG2      THR  63  -0.118   9.573   9.573
  494    H    THR  64           H        THR  64  -0.868   4.492   4.492
  495    HA   THR  64           HA       THR  64  -1.981   3.732   3.732
  496    HB   THR  64           HB       THR  64  -0.469   2.165   2.165
  497    HG1  THR  64           HG1      THR  64  -1.630   0.501   0.501
  498   1HG2  THR  64          1HG2      THR  64  -1.848   2.669   2.669
  499   2HG2  THR  64          3HG2      THR  64  -1.167   1.057   1.057
  500   3HG2  THR  64          2HG2      THR  64  -0.128   2.478   2.478
  501    H    ARG  65           H        ARG  65  -3.521   1.884   1.884
  502    HA   ARG  65           HA       ARG  65  -6.015   3.220   3.220
  503   1HB   ARG  65          2HB       ARG  65  -7.377   1.807   1.807
  504   2HB   ARG  65          1HB       ARG  65  -6.229   2.828   2.828
  505   1HG   ARG  65          2HG       ARG  65  -4.659   0.702   0.702
  506   2HG   ARG  65          1HG       ARG  65  -6.206  -0.136  -0.136
  507   1HD   ARG  65          2HD       ARG  65  -5.976  -0.157  -0.157
  508   2HD   ARG  65          1HD       ARG  65  -6.759   1.414   1.414
  509    HE   ARG  65           HE       ARG  65  -4.215   2.206   2.206
  510   1HH1  ARG  65          2HH1      ARG  65  -2.424   0.647   0.647
  511   2HH1  ARG  65          1HH1      ARG  65  -2.709   0.435   0.435
  512   1HH2  ARG  65          1HH2      ARG  65  -5.988   1.552   1.552
  513   2HH2  ARG  65          2HH2      ARG  65  -4.726   0.947   0.947
  514    H    PHE  66           H        PHE  66  -6.091   2.452   2.452
  515    HA   PHE  66           HA       PHE  66  -5.880  -0.495  -0.495
  516   1HB   PHE  66          2HB       PHE  66  -5.885   1.909   1.909
  517   2HB   PHE  66          1HB       PHE  66  -5.998   0.256   0.256
  518    HD1  PHE  66           HD2      PHE  66  -3.826   2.690   2.690
  519    HD2  PHE  66           HD1      PHE  66  -4.105  -1.275  -1.275
  520    HE1  PHE  66           HE2      PHE  66  -1.377   2.414   2.414
  521    HE2  PHE  66           HE1      PHE  66  -1.653  -1.536  -1.536
  522    HZ   PHE  66           HZ       PHE  66  -0.289   0.306   0.306
  523    H    GLN  67           H        GLN  67  -8.151   0.255   0.255
  524    HA   GLN  67           HA       GLN  67 -10.544   0.600   0.600
  525   1HB   GLN  67          2HB       GLN  67  -9.836  -2.150  -2.150
  526   2HB   GLN  67          1HB       GLN  67 -11.450  -1.690  -1.690
  527   1HG   GLN  67          2HG       GLN  67 -10.831  -2.139  -2.139
  528   2HG   GLN  67          1HG       GLN  67  -9.672  -0.814  -0.814
  529   1HE2  GLN  67          2HE2      GLN  67  -8.348  -4.671  -4.671
  530   2HE2  GLN  67          1HE2      GLN  67 -10.002  -4.327  -4.327
  531    H    LEU  68           H        LEU  68 -11.581   1.984   1.984
  532    HA   LEU  68           HA       LEU  68 -11.719   1.164   1.164
  533   1HB   LEU  68          2HB       LEU  68 -12.804   3.511   3.511
  534   2HB   LEU  68          1HB       LEU  68 -11.073   3.397   3.397
  535    HG   LEU  68           HG       LEU  68 -11.330   3.987   3.987
  536   1HD1  LEU  68          2HD1      LEU  68 -14.260   3.584   3.584
  537   2HD1  LEU  68          1HD1      LEU  68 -13.746   4.650   4.650
  538   3HD1  LEU  68          3HD1      LEU  68 -13.303   2.944   2.944
  539   1HD2  LEU  68          2HD2      LEU  68 -11.420   5.799   5.799
  540   2HD2  LEU  68          1HD2      LEU  68 -12.213   6.240   6.240
  541   3HD2  LEU  68          3HD2      LEU  68 -13.177   5.753   5.753
  542    H    ASN  69           H        ASN  69 -13.682   1.169   1.169
  543    HA   ASN  69           HA       ASN  69 -16.178   0.808   0.808
  544   1HB   ASN  69          2HB       ASN  69 -15.120  -1.249  -1.249
  545   2HB   ASN  69          1HB       ASN  69 -15.864  -0.461  -0.461
  546   1HD2  ASN  69          2HD2      ASN  69 -19.118  -1.482  -1.482
  547   2HD2  ASN  69          1HD2      ASN  69 -18.103  -0.747  -0.747
  548    H    THR  70           H        THR  70 -17.123   2.840   2.840
  549    HA   THR  70           HA       THR  70 -17.016   3.986   3.986
  550    HB   THR  70           HB       THR  70 -18.065   5.339   5.339
  551    HG1  THR  70           HG1      THR  70 -15.983   6.131   6.131
  552   1HG2  THR  70          1HG2      THR  70 -18.626   6.347   6.347
  553   2HG2  THR  70          3HG2      THR  70 -16.909   6.403   6.403
  554   3HG2  THR  70          2HG2      THR  70 -17.538   7.372   7.372
  555    H    CYS  71           H        CYS  71 -18.682   3.872   3.872
  556    HA   CYS  71           HA       CYS  71 -21.436   3.420   3.420
  557   1HB   CYS  71          2HB       CYS  71 -20.291   2.767   2.767
  558   2HB   CYS  71          1HB       CYS  71 -22.000   2.660   2.660
  559    H    THR  72           H        THR  72 -22.316   5.469   5.469
  560    HA   THR  72           HA       THR  72 -21.588   7.419   7.419
  561    HB   THR  72           HB       THR  72 -22.675   8.164   8.164
  562    HG1  THR  72           HG1      THR  72 -20.844   7.532   7.532
  563   1HG2  THR  72          1HG2      THR  72 -21.107   9.586   9.586
  564   2HG2  THR  72          3HG2      THR  72 -21.330  10.246  10.246
  565   3HG2  THR  72          2HG2      THR  72 -22.728   9.968   9.968
  566    H    ARG  73           H        ARG  73 -23.170   8.533   8.533
  567    HA   ARG  73           HA       ARG  73 -25.778   7.462   7.462
  568   1HB   ARG  73          2HB       ARG  73 -24.577   8.906   8.906
  569   2HB   ARG  73          1HB       ARG  73 -24.906  10.293  10.293
  570   1HG   ARG  73          2HG       ARG  73 -27.172   8.511   8.511
  571   2HG   ARG  73          1HG       ARG  73 -26.555   9.720   9.720
  572   1HD   ARG  73          2HD       ARG  73 -26.770  11.163  11.163
  573   2HD   ARG  73          1HD       ARG  73 -28.159  10.081  10.081
  574    HE   ARG  73           HE       ARG  73 -27.671  12.040  12.040
  575   1HH1  ARG  73          2HH1      ARG  73 -29.271  10.249  10.249
  576   2HH1  ARG  73          1HH1      ARG  73 -30.893  10.508  10.508
  577   1HH2  ARG  73          1HH2      ARG  73 -29.927  12.200  12.200
  578   2HH2  ARG  73          2HH2      ARG  73 -31.265  11.614  11.614
  579    H    THR  74           H        THR  74 -27.255   7.433   7.433
  580    HA   THR  74           HA       THR  74 -27.772   9.997   9.997
  581    HB   THR  74           HB       THR  74 -28.162   8.521   8.521
  582    HG1  THR  74           HG1      THR  74 -26.492   6.824   6.824
  583   1HG2  THR  74          2HG2      THR  74 -25.412   8.988   8.988
  584   2HG2  THR  74          1HG2      THR  74 -25.697   8.543   8.543
  585   3HG2  THR  74          3HG2      THR  74 -26.313  10.074  10.074
  586    H    SER  75           H        SER  75 -29.374   6.961   6.961
  587    HA   SER  75           HA       SER  75 -31.708   7.469   7.469
  588   1HB   SER  75          2HB       SER  75 -33.244   7.683   7.683
  589   2HB   SER  75          1HB       SER  75 -32.172   9.063   9.063
  590    HG   SER  75           HG       SER  75 -32.240   8.292   8.292
  591    H    ILE  76           H        ILE  76 -31.831   5.374   5.374
  592    HA   ILE  76           HA       ILE  76 -32.295   3.258   3.258
  593    HB   ILE  76           HB       ILE  76 -30.705   2.638   2.638
  594   1HG1  ILE  76          2HG1      ILE  76 -29.468   4.438   4.438
  595   2HG1  ILE  76          1HG1      ILE  76 -28.623   2.899   2.899
  596   1HG2  ILE  76          3HG2      ILE  76 -31.088   1.371   1.371
  597   2HG2  ILE  76          2HG2      ILE  76 -29.832   0.846   0.846
  598   3HG2  ILE  76          1HG2      ILE  76 -31.528   0.701   0.701
  599   1HD1  ILE  76          1HD1      ILE  76 -30.499   3.212   3.212
  600   2HD1  ILE  76          3HD1      ILE  76 -29.360   4.557   4.557
  601   3HD1  ILE  76          2HD1      ILE  76 -28.764   2.902   2.902
  602    H    THR  77           H        THR  77 -33.376   1.313   1.313
  603    HA   THR  77           HA       THR  77 -35.756   1.976   1.976
  604    HB   THR  77           HB       THR  77 -34.570  -0.725  -0.725
  605    HG1  THR  77           HG1      THR  77 -34.597  -1.229  -1.229
  606   1HG2  THR  77          2HG2      THR  77 -36.918   0.029   0.029
  607   2HG2  THR  77          1HG2      THR  77 -37.279   0.063   0.063
  608   3HG2  THR  77          3HG2      THR  77 -36.811  -1.451  -1.451
  609    HA   PRO  78           HA       PRO  78 -33.976   0.820   0.820
  610   1HB   PRO  78          2HB       PRO  78 -31.254   0.587   0.587
  611   2HB   PRO  78          1HB       PRO  78 -32.325  -0.773  -0.773
  612   1HG   PRO  78          2HG       PRO  78 -30.439   0.680   0.680
  613   2HG   PRO  78          1HG       PRO  78 -31.056  -0.976  -0.976
  614   1HD   PRO  78          2HD       PRO  78 -31.954   1.263   1.263
  615   2HD   PRO  78          1HD       PRO  78 -32.736  -0.322  -0.322
  616    H    ARG  79           H        ARG  79 -34.094   2.574   2.574
  617    HA   ARG  79           HA       ARG  79 -32.069   4.728   4.728
  618   1HB   ARG  79          2HB       ARG  79 -33.898   6.461   6.461
  619   2HB   ARG  79          1HB       ARG  79 -33.834   5.535   5.535
  620   1HG   ARG  79          2HG       ARG  79 -36.044   5.176   5.176
  621   2HG   ARG  79          1HG       ARG  79 -35.528   4.007   4.007
  622   1HD   ARG  79          2HD       ARG  79 -35.417   6.124   6.124
  623   2HD   ARG  79          1HD       ARG  79 -36.514   6.819   6.819
  624    HE   ARG  79           HE       ARG  79 -37.106   4.390   4.390
  625   1HH1  ARG  79          1HH2      ARG  79 -38.256   5.499   5.499
  626   2HH1  ARG  79          2HH2      ARG  79 -39.843   5.921   5.921
  627   1HH2  ARG  79          2HH1      ARG  79 -39.037   5.611   5.611
  628   2HH2  ARG  79          1HH1      ARG  79 -40.285   5.984   5.984
  629    HA   PRO  80           HA       PRO  80 -32.326   6.979   6.979
  630   1HB   PRO  80          2HB       PRO  80 -30.704   7.974   7.974
  631   2HB   PRO  80          1HB       PRO  80 -32.432   8.342   8.342
  632   1HG   PRO  80          2HG       PRO  80 -31.036   6.524   6.524
  633   2HG   PRO  80          1HG       PRO  80 -32.550   7.422   7.422
  634   1HD   PRO  80          2HD       PRO  80 -32.339   4.672   4.672
  635   2HD   PRO  80          1HD       PRO  80 -33.807   5.656   5.656
  636    H    CYS  81           H        CYS  81 -29.866   7.794   7.794
  637    HA   CYS  81           HA       CYS  81 -27.698   7.326   7.326
  638   1HB   CYS  81          2HB       CYS  81 -28.045   6.101   6.101
  639   2HB   CYS  81          1HB       CYS  81 -27.417   4.797   4.797
  640    HA   PRO  82           HA       PRO  82 -29.290   3.847   3.847
  641   1HB   PRO  82          2HB       PRO  82 -30.120   5.385   5.385
  642   2HB   PRO  82          1HB       PRO  82 -31.201   4.890   4.890
  643   1HG   PRO  82          2HG       PRO  82 -29.983   7.565   7.565
  644   2HG   PRO  82          1HG       PRO  82 -31.497   7.163   7.163
  645   1HD   PRO  82          2HD       PRO  82 -29.075   7.874   7.874
  646   2HD   PRO  82          1HD       PRO  82 -30.482   7.120   7.120
  647    H    TYR  83           H        TYR  83 -27.567   3.021   3.021
  648    HA   TYR  83           HA       TYR  83 -25.702   5.023   5.023
  649   1HB   TYR  83          2HB       TYR  83 -25.089   2.545   2.545
  650   2HB   TYR  83          1HB       TYR  83 -23.985   3.040   3.040
  651    HD1  TYR  83           HD2      TYR  83 -26.004   4.789   4.789
  652    HD2  TYR  83           HD1      TYR  83 -22.212   4.297   4.297
  653    HE1  TYR  83           HE2      TYR  83 -25.046   6.560   6.560
  654    HE2  TYR  83           HE1      TYR  83 -21.249   6.068   6.068
  655    HH   TYR  83           HH       TYR  83 -21.596   7.315   7.315
  656    H    SER  84           H        SER  84 -25.103   4.783   4.783
  657    HA   SER  84           HA       SER  84 -26.138   2.407   2.407
  658   1HB   SER  84          2HB       SER  84 -25.992   3.911   3.911
  659   2HB   SER  84          1HB       SER  84 -27.066   4.573   4.573
  660    HG   SER  84           HG       SER  84 -25.260   5.915   5.915
  661    H    SER  85           H        SER  85 -24.588   1.083   1.083
  662    HA   SER  85           HA       SER  85 -21.746   1.801   1.801
  663   1HB   SER  85          2HB       SER  85 -21.307  -0.566  -0.566
  664   2HB   SER  85          1HB       SER  85 -22.605  -0.419  -0.419
  665    HG   SER  85           HG       SER  85 -23.088  -1.910  -1.910
  666    H    ARG  86           H        ARG  86 -20.210   1.890   1.890
  667    HA   ARG  86           HA       ARG  86 -20.921   1.401   1.401
  668   1HB   ARG  86          2HB       ARG  86 -21.492   3.848   3.848
  669   2HB   ARG  86          1HB       ARG  86 -19.749   4.082   4.082
  670   1HG   ARG  86          2HG       ARG  86 -19.354   3.714   3.714
  671   2HG   ARG  86          1HG       ARG  86 -20.818   2.751   2.751
  672   1HD   ARG  86          2HD       ARG  86 -21.608   4.669   4.669
  673   2HD   ARG  86          1HD       ARG  86 -21.919   5.121   5.121
  674    HE   ARG  86           HE       ARG  86 -19.246   5.839   5.839
  675   1HH1  ARG  86          1HH2      ARG  86 -19.892   7.601   7.601
  676   2HH1  ARG  86          2HH2      ARG  86 -20.758   8.911   8.911
  677   1HH2  ARG  86          2HH1      ARG  86 -21.516   7.153   7.153
  678   2HH2  ARG  86          1HH1      ARG  86 -21.675   8.657   8.657
  679    H    THR  87           H        THR  87 -18.959   1.338   1.338
  680    HA   THR  87           HA       THR  87 -16.408   1.113   1.113
  681    HB   THR  87           HB       THR  87 -16.937  -0.661  -0.661
  682    HG1  THR  87           HG1      THR  87 -18.477  -1.572  -1.572
  683   1HG2  THR  87          3HG2      THR  87 -15.133  -0.593  -0.593
  684   2HG2  THR  87          2HG2      THR  87 -15.512  -2.147  -2.147
  685   3HG2  THR  87          1HG2      THR  87 -14.734  -0.883  -0.883
  686    H    GLU  88           H        GLU  88 -14.474   1.589   1.589
  687    HA   GLU  88           HA       GLU  88 -14.507   2.378   2.378
  688   1HB   GLU  88          2HB       GLU  88 -15.694   4.280   4.280
  689   2HB   GLU  88          1HB       GLU  88 -14.014   4.807   4.807
  690   1HG   GLU  88          2HG       GLU  88 -13.943   5.377   5.377
  691   2HG   GLU  88          1HG       GLU  88 -14.971   4.027   4.027
  692    H    THR  89           H        THR  89 -12.420   3.846   3.846
  693    HA   THR  89           HA       THR  89 -10.121   2.360   2.360
  694    HB   THR  89           HB       THR  89 -10.243   5.210   5.210
  695    HG1  THR  89           HG1      THR  89 -10.461   4.317   4.317
  696   1HG2  THR  89          3HG2      THR  89  -8.062   3.780   3.780
  697   2HG2  THR  89          2HG2      THR  89  -8.003   3.485   3.485
  698   3HG2  THR  89          1HG2      THR  89  -7.990   5.137   5.137
  699    H    ASN  90           H        ASN  90  -8.591   2.804   2.804
  700    HA   ASN  90           HA       ASN  90  -9.540   4.860   4.860
  701   1HB   ASN  90          2HB       ASN  90  -9.373   2.388   2.388
  702   2HB   ASN  90          1HB       ASN  90  -7.633   2.658   2.658
  703   1HD2  ASN  90          2HD2      ASN  90  -8.076   3.706   3.706
  704   2HD2  ASN  90          1HD2      ASN  90  -7.430   2.522   2.522
  705    H    TYR  91           H        TYR  91  -8.508   6.606   6.606
  706    HA   TYR  91           HA       TYR  91  -5.530   6.669   6.669
  707   1HB   TYR  91          2HB       TYR  91  -5.899   9.017   9.017
  708   2HB   TYR  91          1HB       TYR  91  -6.056   7.597   7.597
  709    HD1  TYR  91           HD1      TYR  91  -8.280   6.784   6.784
  710    HD2  TYR  91           HD2      TYR  91  -7.814  10.387  10.387
  711    HE1  TYR  91           HE1      TYR  91 -10.591   7.452   7.452
  712    HE2  TYR  91           HE2      TYR  91 -10.128  11.058  11.058
  713    HH   TYR  91           HH       TYR  91 -12.188  10.105  10.105
  714    H    ILE  92           H        ILE  92  -5.101   7.086   7.086
  715    HA   ILE  92           HA       ILE  92  -6.556   9.351   9.351
  716    HB   ILE  92           HB       ILE  92  -6.470   7.926   7.926
  717   1HG1  ILE  92          2HG1      ILE  92  -6.921   5.422   5.422
  718   2HG1  ILE  92          1HG1      ILE  92  -5.399   6.024   6.024
  719   1HG2  ILE  92          2HG2      ILE  92  -8.506   8.566   8.566
  720   2HG2  ILE  92          1HG2      ILE  92  -8.322   7.102   7.102
  721   3HG2  ILE  92          3HG2      ILE  92  -8.650   6.984   6.984
  722   1HD1  ILE  92          2HD1      ILE  92  -6.055   5.901   5.901
  723   2HD1  ILE  92          1HD1      ILE  92  -5.137   4.670   4.670
  724   3HD1  ILE  92          3HD1      ILE  92  -4.501   6.305   6.305
  725    H    CYS  93           H        CYS  93  -5.497   9.618   9.618
  726    HA   CYS  93           HA       CYS  93  -2.527   9.902   9.902
  727   1HB   CYS  93          2HB       CYS  93  -3.958  12.023  12.023
  728   2HB   CYS  93          1HB       CYS  93  -4.311  11.623  11.623
  729    H    VAL  94           H        VAL  94  -1.409   8.625   8.625
  730    HA   VAL  94           HA       VAL  94  -2.686   7.849   7.849
  731    HB   VAL  94           HB       VAL  94  -2.312   6.022   6.022
  732   1HG1  VAL  94          2HG1      VAL  94   0.586   6.483   6.483
  733   2HG1  VAL  94          1HG1      VAL  94  -0.022   5.137   5.137
  734   3HG1  VAL  94          3HG1      VAL  94  -0.119   6.783   6.783
  735   1HG2  VAL  94          2HG2      VAL  94  -2.337   5.923   5.923
  736   2HG2  VAL  94          1HG2      VAL  94  -2.008   4.484   4.484
  737   3HG2  VAL  94          3HG2      VAL  94  -0.673   5.384   5.384
  738    H    LYS  95           H        LYS  95  -1.019   7.273   7.273
  739    HA   LYS  95           HA       LYS  95   1.433   8.913   8.913
  740   1HB   LYS  95          2HB       LYS  95  -0.617   8.942   8.942
  741   2HB   LYS  95          1HB       LYS  95   1.062   9.351   9.351
  742   1HG   LYS  95          2HG       LYS  95   0.763  10.874  10.874
  743   2HG   LYS  95          1HG       LYS  95  -0.928  10.820  10.820
  744   1HD   LYS  95          2HD       LYS  95  -0.107  11.459  11.459
  745   2HD   LYS  95          1HD       LYS  95   1.443  11.826  11.826
  746   1HE   LYS  95          2HE       LYS  95   0.471  13.513  13.513
  747   2HE   LYS  95          1HE       LYS  95  -1.166  13.002  13.002
  748   1HZ   LYS  95          3HZ       LYS  95   0.675  13.877  13.877
  749   2HZ   LYS  95          2HZ       LYS  95  -0.135  15.036  15.036
  750   3HZ   LYS  95          1HZ       LYS  95  -1.020  13.911  13.911
  751    H    CYS  96           H        CYS  96   3.307   7.884   7.884
  752    HA   CYS  96           HA       CYS  96   2.873   5.109   5.109
  753   1HB   CYS  96          2HB       CYS  96   5.486   6.038   6.038
  754   2HB   CYS  96          1HB       CYS  96   4.786   4.424   4.424
  755    H    GLU  97           H        GLU  97   3.369   4.660   4.660
  756    HA   GLU  97           HA       GLU  97   5.751   5.884   5.884
  757   1HB   GLU  97          2HB       GLU  97   3.887   7.024   7.024
  758   2HB   GLU  97          1HB       GLU  97   3.017   5.507   5.507
  759   1HG   GLU  97          2HG       GLU  97   4.690   4.718   4.718
  760   2HG   GLU  97          1HG       GLU  97   5.730   6.100   6.100
  761    H    ASN  98           H        ASN  98   6.917   4.196   4.196
  762    HA   ASN  98           HA       ASN  98   7.595   1.916   1.916
  763   1HB   ASN  98          2HB       ASN  98   4.592   1.628   1.628
  764   2HB   ASN  98          1HB       ASN  98   5.763   0.350   0.350
  765   1HD2  ASN  98          2HD2      ASN  98   7.239   2.234   2.234
  766   2HD2  ASN  98          1HD2      ASN  98   7.740   1.338   1.338
  767    H    GLN  99           H        GLN  99   6.899   3.048   3.048
  768    HA   GLN  99           HA       GLN  99   6.577   2.618   2.618
  769   1HB   GLN  99          2HB       GLN  99   7.667   0.655   0.655
  770   2HB   GLN  99          1HB       GLN  99   8.632   1.331   1.331
  771   1HG   GLN  99          2HG       GLN  99   6.682  -0.780  -0.780
  772   2HG   GLN  99          1HG       GLN  99   8.061  -1.296  -1.296
  773   1HE2  GLN  99          2HE2      GLN  99   8.814  -1.080  -1.080
  774   2HE2  GLN  99          1HE2      GLN  99   7.397  -1.611  -1.611
  775    H    TYR 100           H        TYR 100   4.316   1.543   1.543
  776    HA   TYR 100           HA       TYR 100   2.842   0.219   0.219
  777   1HB   TYR 100          2HB       TYR 100   2.028  -1.379  -1.379
  778   2HB   TYR 100          1HB       TYR 100   3.196  -0.832  -0.832
  779    HD1  TYR 100           HD2      TYR 100  -0.279   0.080   0.080
  780    HD2  TYR 100           HD1      TYR 100   2.383  -0.244  -0.244
  781    HE1  TYR 100           HE2      TYR 100  -2.113   0.780   0.780
  782    HE2  TYR 100           HE1      TYR 100   0.543   0.447   0.447
  783    HH   TYR 100           HH       TYR 100  -2.363   1.786   1.786
  784    HA   PRO 101           HA       PRO 101   0.571   4.009   4.009
  785   1HB   PRO 101          2HB       PRO 101  -1.958   3.098   3.098
  786   2HB   PRO 101          1HB       PRO 101  -0.640   3.351   3.351
  787   1HG   PRO 101          2HG       PRO 101  -1.602   0.780   0.780
  788   2HG   PRO 101          1HG       PRO 101  -1.004   1.077   1.077
  789   1HD   PRO 101          2HD       PRO 101   0.555  -0.090  -0.090
  790   2HD   PRO 101          1HD       PRO 101   1.233   0.926   0.926
  791    H    VAL 102           H        VAL 102   0.807   4.331   4.331
  792    HA   VAL 102           HA       VAL 102  -1.077   3.120   3.120
  793    HB   VAL 102           HB       VAL 102   1.125   5.191   5.191
  794   1HG1  VAL 102          2HG1      VAL 102  -0.647   3.934   3.934
  795   2HG1  VAL 102          1HG1      VAL 102   0.847   4.803   4.803
  796   3HG1  VAL 102          3HG1      VAL 102  -0.510   5.647   5.647
  797   1HG2  VAL 102          1HG2      VAL 102   1.325   2.481   2.481
  798   2HG2  VAL 102          3HG2      VAL 102   2.507   3.465   3.465
  799   3HG2  VAL 102          2HG2      VAL 102   1.262   2.599   2.599
  800    H    HIS 103           H        HIS 103  -0.792   6.075   6.075
  801    HA   HIS 103           HA       HIS 103  -3.253   7.076   7.076
  802   1HB   HIS 103          2HB       HIS 103  -1.756   9.341   9.341
  803   2HB   HIS 103          1HB       HIS 103  -2.141   8.922   8.922
  804    HD1  HIS 103           HD1      HIS 103  -0.049   8.871   8.871
  805    HD2  HIS 103           HD2      HIS 103   0.673   7.491   7.491
  806    HE1  HIS 103           HE1      HIS 103   2.396   8.157   8.157
  807    H    PHE 104           H        PHE 104  -4.742   8.072   8.072
  808    HA   PHE 104           HA       PHE 104  -3.861   7.867   7.867
  809   1HB   PHE 104          2HB       PHE 104  -6.024   6.468   6.468
  810   2HB   PHE 104          1HB       PHE 104  -6.717   7.630   7.630
  811    HD1  PHE 104           HD2      PHE 104  -5.050   7.919   7.919
  812    HD2  PHE 104           HD1      PHE 104  -5.604   4.359   4.359
  813    HE1  PHE 104           HE2      PHE 104  -4.201   6.579   6.579
  814    HE2  PHE 104           HE1      PHE 104  -4.750   3.002   3.002
  815    HZ   PHE 104           HZ       PHE 104  -4.056   4.109   4.109
  816    H    ALA 105           H        ALA 105  -4.090   9.600   9.600
  817    HA   ALA 105           HA       ALA 105  -5.012  12.108  12.108
  818   1HB   ALA 105          1HB       ALA 105  -3.613  11.316  11.316
  819   2HB   ALA 105          3HB       ALA 105  -4.538  12.817  12.817
  820   3HB   ALA 105          2HB       ALA 105  -3.249  12.610  12.610
  821    H    GLY 106           H        GLY 106  -6.220   9.949   9.949
  822   1HA   GLY 106          2HA       GLY 106  -8.799   9.876   9.876
  823   2HA   GLY 106          1HA       GLY 106  -8.701  11.626  11.626
  824    H    ILE 107           H        ILE 107  -9.116  12.285  12.285
  825    HA   ILE 107           HA       ILE 107  -9.258  10.556  10.556
  826    HB   ILE 107           HB       ILE 107  -9.602  12.643  12.643
  827   1HG1  ILE 107          2HG1      ILE 107  -9.125  14.060  14.060
  828   2HG1  ILE 107          1HG1      ILE 107  -7.922  13.976  13.976
  829   1HG2  ILE 107          2HG2      ILE 107 -11.476  11.630  11.630
  830   2HG2  ILE 107          1HG2      ILE 107 -11.033  12.586  12.586
  831   3HG2  ILE 107          3HG2      ILE 107 -11.611  13.388  13.388
  832   1HD1  ILE 107          3HD1      ILE 107 -10.595  14.831  14.831
  833   2HD1  ILE 107          2HD1      ILE 107  -9.823  15.945  15.945
  834   3HD1  ILE 107          1HD1      ILE 107  -9.009  15.506  15.506
  835    H    GLY 108           H        GLY 108  -8.146  11.484  11.484
  836   1HA   GLY 108          2HA       GLY 108  -5.416  10.685  10.685
  837   2HA   GLY 108          1HA       GLY 108  -6.197  11.495  11.495
  838    H    ARG 109           H        ARG 109  -6.179  13.843  13.843
  839    HA   ARG 109           HA       ARG 109  -3.743  15.085  15.085
  840   1HB   ARG 109          2HB       ARG 109  -6.513  16.090  16.090
  841   2HB   ARG 109          1HB       ARG 109  -5.308  17.243  17.243
  842   1HG   ARG 109          2HG       ARG 109  -4.802  15.392  15.392
  843   2HG   ARG 109          1HG       ARG 109  -5.484  17.007  17.007
  844   1HD   ARG 109          2HD       ARG 109  -3.512  18.055  18.055
  845   2HD   ARG 109          1HD       ARG 109  -3.031  16.796  16.796
  846    HE   ARG 109           HE       ARG 109  -1.887  15.740  15.740
  847   1HH1  ARG 109          1HH2      ARG 109  -4.422  15.575  15.575
  848   2HH1  ARG 109          2HH2      ARG 109  -3.911  16.422  16.422
  849   1HH2  ARG 109          2HH1      ARG 109  -1.145  17.855  17.855
  850   2HH2  ARG 109          1HH1      ARG 109  -2.059  17.711  17.711
  851    H    CYS 110           H        CYS 110  -2.782  15.412  15.412
  852    HA   CYS 110           HA       CYS 110  -4.370  15.459  15.459
  853   1HB   CYS 110          2HB       CYS 110  -1.430  15.981  15.981
  854   2HB   CYS 110          1HB       CYS 110  -2.444  15.045  15.045
  855    HA   PRO 111           HA       PRO 111  -2.695  19.929  19.929
  856   1HB   PRO 111          2HB       PRO 111  -1.667  21.052  21.052
  857   2HB   PRO 111          1HB       PRO 111  -0.674  20.197  20.197
  858   1HG   PRO 111          2HG       PRO 111  -1.537  19.310  19.310
  859   2HG   PRO 111          1HG       PRO 111  -0.133  18.801  18.801
  860   1HD   PRO 111          1HD       PRO 111  -2.567  17.370  17.370
  861   2HD   PRO 111          2HD       PRO 111  -1.263  16.985  16.985

  Start of MODEL    5
    1    HN   PCA   1           HN       PCA   1  -2.766   4.542   4.542
    2    HA   PCA   1           HA       PCA   1  -2.324   5.320   5.320
    3   1HB   PCA   1          1HB       PCA   1  -4.202   5.398   5.398
    4   2HB   PCA   1          2HB       PCA   1  -4.219   3.624   3.624
    5   1HG   PCA   1          1HG       PCA   1  -5.951   5.389   5.389
    6   2HG   PCA   1          2HG       PCA   1  -5.968   3.615   3.615
    7    H    ASN   2           H        ASN   2  -3.799   2.092   2.092
    8    HA   ASN   2           HA       ASN   2  -1.121   0.851   0.851
    9   1HB   ASN   2          2HB       ASN   2  -2.393   0.736   0.736
   10   2HB   ASN   2          1HB       ASN   2  -3.772   0.047   0.047
   11   1HD2  ASN   2          2HD2      ASN   2  -2.545  -3.189  -3.189
   12   2HD2  ASN   2          1HD2      ASN   2  -3.876  -2.136  -2.136
   13    H    TRP   3           H        TRP   3  -1.069  -1.445  -1.445
   14    HA   TRP   3           HA       TRP   3  -2.102  -1.527  -1.527
   15   1HB   TRP   3          2HB       TRP   3  -0.085  -2.885  -2.885
   16   2HB   TRP   3          1HB       TRP   3  -1.160  -4.118  -4.118
   17    HD1  TRP   3           HD1      TRP   3   1.847  -2.456  -2.456
   18    HE1  TRP   3           HE1      TRP   3   2.363  -2.502  -2.502
   19    HE3  TRP   3           HE3      TRP   3  -2.780  -3.610  -3.610
   20    HZ2  TRP   3           HZ2      TRP   3   1.023  -2.967  -2.967
   21    HZ3  TRP   3           HZ3      TRP   3  -3.119  -3.858  -3.858
   22    HH2  TRP   3           HH2      TRP   3  -1.221  -3.544  -3.544
   23    H    ALA   4           H        ALA   4  -3.358  -2.699  -2.699
   24    HA   ALA   4           HA       ALA   4  -5.033  -4.830  -4.830
   25   1HB   ALA   4          3HB       ALA   4  -4.227  -4.043  -4.043
   26   2HB   ALA   4          2HB       ALA   4  -5.941  -3.638  -3.638
   27   3HB   ALA   4          1HB       ALA   4  -5.423  -5.287  -5.287
   28    H    THR   5           H        THR   5  -5.951  -1.692  -1.692
   29    HA   THR   5           HA       THR   5  -8.638  -1.709  -1.709
   30    HB   THR   5           HB       THR   5  -7.077   0.811   0.811
   31    HG1  THR   5           HG1      THR   5  -8.285  -0.992  -0.992
   32   1HG2  THR   5          1HG2      THR   5  -9.945  -0.045  -0.045
   33   2HG2  THR   5          3HG2      THR   5  -9.269   1.529   1.529
   34   3HG2  THR   5          2HG2      THR   5  -9.382   1.037   1.037
   35    H    PHE   6           H        PHE   6  -5.542  -0.588  -0.588
   36    HA   PHE   6           HA       PHE   6  -6.650   0.728   0.728
   37   1HB   PHE   6          2HB       PHE   6  -4.432   1.314   1.314
   38   2HB   PHE   6          1HB       PHE   6  -3.864  -0.270  -0.270
   39    HD1  PHE   6           HD1      PHE   6  -3.925  -0.894  -0.894
   40    HD2  PHE   6           HD2      PHE   6  -4.721   3.120   3.120
   41    HE1  PHE   6           HE1      PHE   6  -3.570  -0.063  -0.063
   42    HE2  PHE   6           HE2      PHE   6  -4.367   3.957   3.957
   43    HZ   PHE   6           HZ       PHE   6  -3.790   2.343   2.343
   44    H    GLN   7           H        GLN   7  -5.849  -2.540  -2.540
   45    HA   GLN   7           HA       GLN   7  -5.484  -3.778  -3.778
   46   1HB   GLN   7          2HB       GLN   7  -5.345  -4.988  -4.988
   47   2HB   GLN   7          1HB       GLN   7  -7.105  -4.937  -4.937
   48   1HG   GLN   7          2HG       GLN   7  -6.816  -5.955  -5.955
   49   2HG   GLN   7          1HG       GLN   7  -5.325  -6.560  -6.560
   50   1HE2  GLN   7          2HE2      GLN   7  -8.529  -8.673  -8.673
   51   2HE2  GLN   7          1HE2      GLN   7  -8.188  -7.784  -7.784
   52    H    GLN   8           H        GLN   8  -8.320  -2.611  -2.611
   53    HA   GLN   8           HA       GLN   8 -10.254  -3.583  -3.583
   54   1HB   GLN   8          2HB       GLN   8 -10.302  -1.778  -1.778
   55   2HB   GLN   8          1HB       GLN   8 -11.609  -1.622  -1.622
   56   1HG   GLN   8          2HG       GLN   8 -12.428  -3.254  -3.254
   57   2HG   GLN   8          1HG       GLN   8 -11.761  -4.217  -4.217
   58   1HE2  GLN   8          2HE2      GLN   8  -9.008  -5.438  -5.438
   59   2HE2  GLN   8          1HE2      GLN   8  -9.544  -5.148  -5.148
   60    H    LYS   9           H        LYS   9  -8.528  -0.527  -0.527
   61    HA   LYS   9           HA       LYS   9  -9.678   1.188   1.188
   62   1HB   LYS   9          2HB       LYS   9  -6.798   0.976   0.976
   63   2HB   LYS   9          1HB       LYS   9  -7.377   2.258   2.258
   64   1HG   LYS   9          2HG       LYS   9  -8.822   1.707   1.707
   65   2HG   LYS   9          1HG       LYS   9  -7.319   2.637   2.637
   66   1HD   LYS   9          2HD       LYS   9  -8.219   4.336   4.336
   67   2HD   LYS   9          1HD       LYS   9  -9.563   3.318   3.318
   68   1HE   LYS   9          2HE       LYS   9 -10.702   4.532   4.532
   69   2HE   LYS   9          1HE       LYS   9 -10.016   3.333   3.333
   70   1HZ   LYS   9          2HZ       LYS   9  -8.590   5.836   5.836
   71   2HZ   LYS   9          1HZ       LYS   9  -9.697   5.753   5.753
   72   3HZ   LYS   9          3HZ       LYS   9  -8.308   4.780   4.780
   73    H    HIS  10           H        HIS  10  -7.472  -1.482  -1.482
   74    HA   HIS  10           HA       HIS  10  -7.059  -0.834  -0.834
   75   1HB   HIS  10          2HB       HIS  10  -5.600  -2.478  -2.478
   76   2HB   HIS  10          1HB       HIS  10  -5.717  -3.193  -3.193
   77    HD1  HIS  10           HD1      HIS  10  -3.008  -2.649  -2.649
   78    HD2  HIS  10           HD2      HIS  10  -5.550   0.525   0.525
   79    HE1  HIS  10           HE1      HIS  10  -1.549  -0.820  -0.820
   80    H    ILE  11           H        ILE  11  -8.837  -3.259  -3.259
   81    HA   ILE  11           HA       ILE  11  -9.765  -4.335  -4.335
   82    HB   ILE  11           HB       ILE  11  -9.060  -6.085  -6.085
   83   1HG1  ILE  11          2HG1      ILE  11  -7.070  -4.956  -4.956
   84   2HG1  ILE  11          1HG1      ILE  11  -7.047  -6.703  -6.703
   85   1HG2  ILE  11          2HG2      ILE  11 -10.621  -6.559  -6.559
   86   2HG2  ILE  11          1HG2      ILE  11  -9.092  -7.402  -7.402
   87   3HG2  ILE  11          3HG2      ILE  11 -10.068  -7.740  -7.740
   88   1HD1  ILE  11          1HD1      ILE  11  -8.350  -5.173  -5.173
   89   2HD1  ILE  11          3HD1      ILE  11  -6.610  -4.942  -4.942
   90   3HD1  ILE  11          2HD1      ILE  11  -7.267  -6.560  -6.560
   91    H    ILE  12           H        ILE  12 -11.655  -2.920  -2.920
   92    HA   ILE  12           HA       ILE  12 -13.605  -4.436  -4.436
   93    HB   ILE  12           HB       ILE  12 -13.917  -1.720  -1.720
   94   1HG1  ILE  12          2HG1      ILE  12 -12.348  -1.590  -1.590
   95   2HG1  ILE  12          1HG1      ILE  12 -13.860  -0.808  -0.808
   96   1HG2  ILE  12          3HG2      ILE  12 -15.757  -3.529  -3.529
   97   2HG2  ILE  12          2HG2      ILE  12 -15.873  -1.812  -1.812
   98   3HG2  ILE  12          1HG2      ILE  12 -16.102  -2.361  -2.361
   99   1HD1  ILE  12          2HD1      ILE  12 -14.579  -2.858  -2.858
  100   2HD1  ILE  12          1HD1      ILE  12 -13.052  -3.633  -3.633
  101   3HD1  ILE  12          3HD1      ILE  12 -13.066  -2.239  -2.239
  102    H    ASN  13           H        ASN  13 -12.877  -5.939  -5.939
  103    HA   ASN  13           HA       ASN  13 -13.879  -5.403  -5.403
  104   1HB   ASN  13          2HB       ASN  13 -11.892  -6.920  -6.920
  105   2HB   ASN  13          1HB       ASN  13 -13.138  -8.152  -8.152
  106   1HD2  ASN  13          2HD2      ASN  13 -11.750  -7.791  -7.791
  107   2HD2  ASN  13          1HD2      ASN  13 -10.907  -7.552  -7.552
  108    H    THR  14           H        THR  14 -16.129  -4.942  -4.942
  109    HA   THR  14           HA       THR  14 -17.758  -7.449  -7.449
  110    HB   THR  14           HB       THR  14 -19.375  -6.022  -6.022
  111    HG1  THR  14           HG1      THR  14 -17.959  -4.132  -4.132
  112   1HG2  THR  14          3HG2      THR  14 -17.913  -8.030  -8.030
  113   2HG2  THR  14          2HG2      THR  14 -16.807  -6.838  -6.838
  114   3HG2  THR  14          1HG2      THR  14 -18.454  -6.965  -6.965
  115    HA   PRO  15           HA       PRO  15 -19.056  -4.453  -4.453
  116   1HB   PRO  15          2HB       PRO  15 -18.728  -6.174  -6.174
  117   2HB   PRO  15          1HB       PRO  15 -17.460  -5.087  -5.087
  118   1HG   PRO  15          2HG       PRO  15 -17.701  -8.036  -8.036
  119   2HG   PRO  15          1HG       PRO  15 -16.252  -7.018  -7.018
  120   1HD   PRO  15          2HD       PRO  15 -17.577  -8.103  -8.103
  121   2HD   PRO  15          1HD       PRO  15 -16.305  -6.859  -6.859
  122    H    ILE  16           H        ILE  16 -21.089  -4.869  -4.869
  123    HA   ILE  16           HA       ILE  16 -22.896  -6.720  -6.720
  124    HB   ILE  16           HB       ILE  16 -24.006  -7.238  -7.238
  125   1HG1  ILE  16          2HG1      ILE  16 -21.471  -6.251  -6.251
  126   2HG1  ILE  16          1HG1      ILE  16 -22.832  -5.154  -5.154
  127   1HG2  ILE  16          2HG2      ILE  16 -21.203  -8.037  -8.037
  128   2HG2  ILE  16          1HG2      ILE  16 -21.900  -8.610  -8.610
  129   3HG2  ILE  16          3HG2      ILE  16 -22.677  -9.003  -9.003
  130   1HD1  ILE  16          2HD1      ILE  16 -24.261  -7.006  -7.006
  131   2HD1  ILE  16          1HD1      ILE  16 -22.724  -7.682  -7.682
  132   3HD1  ILE  16          3HD1      ILE  16 -23.201  -6.062  -6.062
  133    H    ILE  17           H        ILE  17 -25.268  -6.084  -6.084
  134    HA   ILE  17           HA       ILE  17 -25.518  -3.156  -3.156
  135    HB   ILE  17           HB       ILE  17 -27.934  -3.687  -3.687
  136   1HG1  ILE  17          2HG1      ILE  17 -27.259  -6.599  -6.599
  137   2HG1  ILE  17          1HG1      ILE  17 -27.552  -5.852  -5.852
  138   1HG2  ILE  17          3HG2      ILE  17 -25.697  -4.934  -4.934
  139   2HG2  ILE  17          2HG2      ILE  17 -27.342  -5.392  -5.392
  140   3HG2  ILE  17          1HG2      ILE  17 -26.852  -3.699  -3.699
  141   1HD1  ILE  17          3HD1      ILE  17 -29.500  -5.161  -5.161
  142   2HD1  ILE  17          2HD1      ILE  17 -29.534  -6.837  -6.837
  143   3HD1  ILE  17          1HD1      ILE  17 -29.773  -5.524  -5.524
  144    H    ASN  18           H        ASN  18 -24.604  -4.272  -4.272
  145    HA   ASN  18           HA       ASN  18 -26.579  -2.936  -2.936
  146   1HB   ASN  18          2HB       ASN  18 -25.390  -5.656  -5.656
  147   2HB   ASN  18          1HB       ASN  18 -26.585  -4.762  -4.762
  148   1HD2  ASN  18          2HD2      ASN  18 -27.964  -7.315  -7.315
  149   2HD2  ASN  18          1HD2      ASN  18 -26.455  -7.401  -7.401
  150    H    CYS  19           H        CYS  19 -25.092  -1.259  -1.259
  151    HA   CYS  19           HA       CYS  19 -22.290  -1.837  -1.837
  152   1HB   CYS  19          2HB       CYS  19 -23.659   0.845   0.845
  153   2HB   CYS  19          1HB       CYS  19 -21.946   0.514   0.514
  154    H    ASN  20           H        ASN  20 -25.160  -1.788  -1.788
  155    HA   ASN  20           HA       ASN  20 -23.915  -0.714  -0.714
  156   1HB   ASN  20          2HB       ASN  20 -26.051  -1.502  -1.502
  157   2HB   ASN  20          1HB       ASN  20 -26.284  -0.364  -0.364
  158   1HD2  ASN  20          2HD2      ASN  20 -27.696  -4.170  -4.170
  159   2HD2  ASN  20          1HD2      ASN  20 -26.784  -3.692  -3.692
  160    H    THR  21           H        THR  21 -25.021  -3.997  -3.997
  161    HA   THR  21           HA       THR  21 -24.052  -5.281  -5.281
  162    HB   THR  21           HB       THR  21 -24.310  -6.741  -6.741
  163    HG1  THR  21           HG1      THR  21 -26.445  -5.906  -5.906
  164   1HG2  THR  21          1HG2      THR  21 -24.731  -7.324  -7.324
  165   2HG2  THR  21          3HG2      THR  21 -25.489  -8.325  -8.325
  166   3HG2  THR  21          2HG2      THR  21 -23.732  -8.189  -8.189
  167    H    ILE  22           H        ILE  22 -22.392  -4.163  -4.163
  168    HA   ILE  22           HA       ILE  22 -20.129  -5.998  -5.998
  169    HB   ILE  22           HB       ILE  22 -19.132  -4.959  -4.959
  170   1HG1  ILE  22          2HG1      ILE  22 -21.435  -2.987  -2.987
  171   2HG1  ILE  22          1HG1      ILE  22 -19.819  -2.600  -2.600
  172   1HG2  ILE  22          1HG2      ILE  22 -22.097  -5.506  -5.506
  173   2HG2  ILE  22          3HG2      ILE  22 -21.133  -5.172  -5.172
  174   3HG2  ILE  22          2HG2      ILE  22 -20.759  -6.571  -6.571
  175   1HD1  ILE  22          2HD1      ILE  22 -20.106  -3.809  -3.809
  176   2HD1  ILE  22          1HD1      ILE  22 -20.451  -2.093  -2.093
  177   3HD1  ILE  22          3HD1      ILE  22 -18.858  -2.727  -2.727
  178    H    MET  23           H        MET  23 -20.846  -2.552  -2.552
  179    HA   MET  23           HA       MET  23 -18.154  -2.188  -2.188
  180   1HB   MET  23          2HB       MET  23 -18.748   0.197   0.197
  181   2HB   MET  23          1HB       MET  23 -18.991  -0.411  -0.411
  182   1HG   MET  23          2HG       MET  23 -21.062   0.478   0.478
  183   2HG   MET  23          1HG       MET  23 -21.443  -0.886  -0.886
  184   1HE   MET  23          2HE       MET  23 -22.296   1.974   1.974
  185   2HE   MET  23          1HE       MET  23 -23.284   1.905   1.905
  186   3HE   MET  23          3HE       MET  23 -22.090   3.193   3.193
  187    H    ASP  24           H        ASP  24 -20.789  -3.618  -3.618
  188    HA   ASP  24           HA       ASP  24 -21.526  -2.221  -2.221
  189   1HB   ASP  24          2HB       ASP  24 -21.604  -5.086  -5.086
  190   2HB   ASP  24          1HB       ASP  24 -21.914  -4.741  -4.741
  191    H    ASN  25           H        ASN  25 -19.614  -1.368  -1.368
  192    HA   ASN  25           HA       ASN  25 -18.195  -3.091  -3.091
  193   1HB   ASN  25          2HB       ASN  25 -17.025  -3.621  -3.621
  194   2HB   ASN  25          1HB       ASN  25 -16.595  -1.932  -1.932
  195   1HD2  ASN  25          2HD2      ASN  25 -14.940  -3.851  -3.851
  196   2HD2  ASN  25          1HD2      ASN  25 -16.582  -4.098  -4.098
  197    H    ASN  26           H        ASN  26 -16.774  -1.840  -1.840
  198    HA   ASN  26           HA       ASN  26 -17.655   0.916   0.916
  199   1HB   ASN  26          2HB       ASN  26 -16.941  -0.621  -0.621
  200   2HB   ASN  26          1HB       ASN  26 -15.281  -0.481  -0.481
  201   1HD2  ASN  26          2HD2      ASN  26 -17.025   2.704   2.704
  202   2HD2  ASN  26          1HD2      ASN  26 -17.985   1.411   1.411
  203    H    ILE  27           H        ILE  27 -15.329  -0.475  -0.475
  204    HA   ILE  27           HA       ILE  27 -13.478   1.814   1.814
  205    HB   ILE  27           HB       ILE  27 -13.609  -0.576  -0.576
  206   1HG1  ILE  27          2HG1      ILE  27 -11.775  -0.157  -0.157
  207   2HG1  ILE  27          1HG1      ILE  27 -13.292  -1.046  -1.046
  208   1HG2  ILE  27          1HG2      ILE  27 -11.627   1.647   1.647
  209   2HG2  ILE  27          3HG2      ILE  27 -11.085   0.075   0.075
  210   3HG2  ILE  27          2HG2      ILE  27 -12.250   1.008   1.008
  211   1HD1  ILE  27          3HD1      ILE  27 -12.389  -2.389  -2.389
  212   2HD1  ILE  27          2HD1      ILE  27 -10.818  -1.747  -1.747
  213   3HD1  ILE  27          1HD1      ILE  27 -11.742  -2.750  -2.750
  214    H    TYR  28           H        TYR  28 -16.526   1.657   1.657
  215    HA   TYR  28           HA       TYR  28 -15.951   3.490   3.490
  216   1HB   TYR  28          2HB       TYR  28 -17.635   0.976   0.976
  217   2HB   TYR  28          1HB       TYR  28 -17.805   2.297   2.297
  218    HD1  TYR  28           HD2      TYR  28 -15.487   3.224   3.224
  219    HD2  TYR  28           HD1      TYR  28 -16.128  -0.732  -0.732
  220    HE1  TYR  28           HE2      TYR  28 -13.513   2.416   2.416
  221    HE2  TYR  28           HE1      TYR  28 -14.147  -1.536  -1.536
  222    HH   TYR  28           HH       TYR  28 -12.603   0.348   0.348
  223    H    ILE  29           H        ILE  29 -16.727   4.768   4.768
  224    HA   ILE  29           HA       ILE  29 -19.621   5.360   5.360
  225    HB   ILE  29           HB       ILE  29 -18.501   4.867   4.867
  226   1HG1  ILE  29          2HG1      ILE  29 -20.360   3.110   3.110
  227   2HG1  ILE  29          1HG1      ILE  29 -18.658   2.761   2.761
  228   1HG2  ILE  29          2HG2      ILE  29 -21.055   5.871   5.871
  229   2HG2  ILE  29          1HG2      ILE  29 -21.209   4.713   4.713
  230   3HG2  ILE  29          3HG2      ILE  29 -20.310   6.211   6.211
  231   1HD1  ILE  29          2HD1      ILE  29 -20.714   3.142   3.142
  232   2HD1  ILE  29          1HD1      ILE  29 -20.187   1.572   1.572
  233   3HD1  ILE  29          3HD1      ILE  29 -19.037   2.635   2.635
  234    H    VAL  30           H        VAL  30 -20.244   7.411   7.411
  235    HA   VAL  30           HA       VAL  30 -17.996   9.359   9.359
  236    HB   VAL  30           HB       VAL  30 -20.818   9.807   9.807
  237   1HG1  VAL  30          1HG1      VAL  30 -18.453  11.642  11.642
  238   2HG1  VAL  30          3HG1      VAL  30 -19.726  12.016  12.016
  239   3HG1  VAL  30          2HG1      VAL  30 -20.117  11.854  11.854
  240   1HG2  VAL  30          1HG2      VAL  30 -19.203   8.495   8.495
  241   2HG2  VAL  30          3HG2      VAL  30 -19.765  10.009  10.009
  242   3HG2  VAL  30          2HG2      VAL  30 -18.156   9.915   9.915
  243    H    GLY  31           H        GLY  31 -18.807  11.304  11.304
  244   1HA   GLY  31          2HA       GLY  31 -20.028  10.118  10.118
  245   2HA   GLY  31          1HA       GLY  31 -19.242  11.694  11.694
  246    H    GLY  32           H        GLY  32 -21.944  10.176  10.176
  247   1HA   GLY  32          2HA       GLY  32 -23.939  11.979  11.979
  248   2HA   GLY  32          1HA       GLY  32 -23.533  12.350  12.350
  249    H    GLN  33           H        GLN  33 -23.278  10.089  10.089
  250    HA   GLN  33           HA       GLN  33 -25.191   7.991   7.991
  251   1HB   GLN  33          2HB       GLN  33 -25.951  10.207  10.207
  252   2HB   GLN  33          1HB       GLN  33 -26.470   8.569   8.569
  253   1HG   GLN  33          2HG       GLN  33 -27.269   8.497   8.497
  254   2HG   GLN  33          1HG       GLN  33 -27.187  10.257  10.257
  255   1HE2  GLN  33          2HE2      GLN  33 -29.625  10.104  10.104
  256   2HE2  GLN  33          1HE2      GLN  33 -28.004  10.590  10.590
  257    H    CYS  34           H        CYS  34 -24.239   9.463   9.463
  258    HA   CYS  34           HA       CYS  34 -22.414   7.181   7.181
  259   1HB   CYS  34          2HB       CYS  34 -24.492   8.230   8.230
  260   2HB   CYS  34          1HB       CYS  34 -23.362   6.906   6.906
  261    H    LYS  35           H        LYS  35 -21.698   7.948   7.948
  262    HA   LYS  35           HA       LYS  35 -20.686  10.742  10.742
  263   1HB   LYS  35          2HB       LYS  35 -19.089   8.545   8.545
  264   2HB   LYS  35          1HB       LYS  35 -19.094   8.892   8.892
  265   1HG   LYS  35          2HG       LYS  35 -18.789  11.381  11.381
  266   2HG   LYS  35          1HG       LYS  35 -17.631  10.236  10.236
  267   1HD   LYS  35          2HD       LYS  35 -17.113   9.666   9.666
  268   2HD   LYS  35          1HD       LYS  35 -17.880  11.219  11.219
  269   1HE   LYS  35          2HE       LYS  35 -15.774  11.050  11.050
  270   2HE   LYS  35          1HE       LYS  35 -15.286  11.118  11.118
  271   1HZ   LYS  35          2HZ       LYS  35 -17.144  13.056  13.056
  272   2HZ   LYS  35          1HZ       LYS  35 -15.474  13.319  13.319
  273   3HZ   LYS  35          3HZ       LYS  35 -16.446  13.162  13.162
  274    H    ARG  36           H        ARG  36 -19.893  11.611  11.611
  275    HA   ARG  36           HA       ARG  36 -22.189  11.494  11.494
  276   1HB   ARG  36          2HB       ARG  36 -20.858  13.171  13.171
  277   2HB   ARG  36          1HB       ARG  36 -21.096  13.635  13.635
  278   1HG   ARG  36          2HG       ARG  36 -18.880  13.188  13.188
  279   2HG   ARG  36          1HG       ARG  36 -18.653  12.067  12.067
  280   1HD   ARG  36          2HD       ARG  36 -18.089  13.725  13.725
  281   2HD   ARG  36          1HD       ARG  36 -19.308  14.830  14.830
  282    HE   ARG  36           HE       ARG  36 -17.640  15.123  15.123
  283   1HH1  ARG  36          1HH2      ARG  36 -17.120  15.762  15.762
  284   2HH1  ARG  36          2HH2      ARG  36 -15.390  15.802  15.802
  285   1HH2  ARG  36          2HH1      ARG  36 -15.250  14.540  14.540
  286   2HH2  ARG  36          1HH1      ARG  36 -14.331  15.111  15.111
  287    H    VAL  37           H        VAL  37 -19.070   9.929   9.929
  288    HA   VAL  37           HA       VAL  37 -19.681   8.456   8.456
  289    HB   VAL  37           HB       VAL  37 -17.015   9.851   9.851
  290   1HG1  VAL  37          2HG1      VAL  37 -17.340   7.650   7.650
  291   2HG1  VAL  37          1HG1      VAL  37 -18.160   8.688   8.688
  292   3HG1  VAL  37          3HG1      VAL  37 -16.473   8.988   8.988
  293   1HG2  VAL  37          3HG2      VAL  37 -19.417  10.594  10.594
  294   2HG2  VAL  37          2HG2      VAL  37 -18.709  11.552  11.552
  295   3HG2  VAL  37          1HG2      VAL  37 -17.812  11.297  11.297
  296    H    ASN  38           H        ASN  38 -19.608   6.426   6.426
  297    HA   ASN  38           HA       ASN  38 -17.436   5.630   5.630
  298   1HB   ASN  38          2HB       ASN  38 -19.756   3.915   3.915
  299   2HB   ASN  38          1HB       ASN  38 -18.676   3.577   3.577
  300   1HD2  ASN  38          2HD2      ASN  38 -20.346   6.690   6.690
  301   2HD2  ASN  38          1HD2      ASN  38 -18.839   6.573   6.573
  302    H    THR  39           H        THR  39 -15.791   5.820   5.820
  303    HA   THR  39           HA       THR  39 -15.921   4.406   4.406
  304    HB   THR  39           HB       THR  39 -13.491   5.599   5.599
  305    HG1  THR  39           HG1      THR  39 -14.097   7.440   7.440
  306   1HG2  THR  39          3HG2      THR  39 -13.773   4.150   4.150
  307   2HG2  THR  39          2HG2      THR  39 -13.698   5.841   5.841
  308   3HG2  THR  39          1HG2      THR  39 -12.399   5.148   5.148
  309    H    PHE  40           H        PHE  40 -15.654   2.313   2.313
  310    HA   PHE  40           HA       PHE  40 -13.956   0.750   0.750
  311   1HB   PHE  40          2HB       PHE  40 -15.955  -0.188  -0.188
  312   2HB   PHE  40          1HB       PHE  40 -15.181  -1.193  -1.193
  313    HD1  PHE  40           HD1      PHE  40 -15.319   0.316   0.316
  314    HD2  PHE  40           HD2      PHE  40 -18.221   0.021   0.021
  315    HE1  PHE  40           HE1      PHE  40 -17.121   0.867   0.867
  316    HE2  PHE  40           HE2      PHE  40 -20.021   0.573   0.573
  317    HZ   PHE  40           HZ       PHE  40 -19.473   0.996   0.996
  318    H    ILE  41           H        ILE  41 -12.407  -0.887  -0.887
  319    HA   ILE  41           HA       ILE  41 -11.680   0.066   0.066
  320    HB   ILE  41           HB       ILE  41 -10.094   1.025   1.025
  321   1HG1  ILE  41          2HG1      ILE  41  -8.420  -1.257  -1.257
  322   2HG1  ILE  41          1HG1      ILE  41  -9.374  -0.490  -0.490
  323   1HG2  ILE  41          2HG2      ILE  41  -9.948  -1.766  -1.766
  324   2HG2  ILE  41          1HG2      ILE  41  -8.671  -0.586  -0.586
  325   3HG2  ILE  41          3HG2      ILE  41 -10.307  -0.259  -0.259
  326   1HD1  ILE  41          1HD1      ILE  41  -8.489   1.744   1.744
  327   2HD1  ILE  41          3HD1      ILE  41  -7.318   0.784   0.784
  328   3HD1  ILE  41          2HD1      ILE  41  -7.331   0.729   0.729
  329    H    ILE  42           H        ILE  42 -11.561  -1.483  -1.483
  330    HA   ILE  42           HA       ILE  42 -11.441  -4.340  -4.340
  331    HB   ILE  42           HB       ILE  42 -13.547  -3.916  -3.916
  332   1HG1  ILE  42          2HG1      ILE  42 -12.050  -5.127  -5.127
  333   2HG1  ILE  42          1HG1      ILE  42 -11.903  -5.917  -5.917
  334   1HG2  ILE  42          3HG2      ILE  42 -12.801  -1.839  -1.839
  335   2HG2  ILE  42          2HG2      ILE  42 -11.992  -2.868  -2.868
  336   3HG2  ILE  42          1HG2      ILE  42 -13.742  -2.943  -2.943
  337   1HD1  ILE  42          3HD1      ILE  42 -14.539  -5.207  -5.207
  338   2HD1  ILE  42          2HD1      ILE  42 -13.800  -6.808  -6.808
  339   3HD1  ILE  42          1HD1      ILE  42 -14.323  -6.122  -6.122
  340    H    SER  43           H        SER  43  -9.314  -4.776  -4.776
  341    HA   SER  43           HA       SER  43  -7.935  -5.342  -5.342
  342   1HB   SER  43          2HB       SER  43  -7.848  -2.931  -2.931
  343   2HB   SER  43          1HB       SER  43  -7.217  -2.633  -2.633
  344    HG   SER  43           HG       SER  43  -5.743  -2.872  -2.872
  345    H    SER  44           H        SER  44  -5.785  -6.147  -6.147
  346    HA   SER  44           HA       SER  44  -5.398  -7.426  -7.426
  347   1HB   SER  44          2HB       SER  44  -4.098  -8.215  -8.215
  348   2HB   SER  44          1HB       SER  44  -3.351  -6.638  -6.638
  349    HG   SER  44           HG       SER  44  -2.973  -8.496  -8.496
  350    H    ALA  45           H        ALA  45  -4.828  -6.707  -6.707
  351    HA   ALA  45           HA       ALA  45  -4.483  -3.958  -3.958
  352   1HB   ALA  45          2HB       ALA  45  -4.160  -6.539  -6.539
  353   2HB   ALA  45          1HB       ALA  45  -3.411  -5.111  -5.111
  354   3HB   ALA  45          3HB       ALA  45  -5.144  -5.134  -5.134
  355    H    THR  46           H        THR  46  -2.098  -6.519  -6.519
  356    HA   THR  46           HA       THR  46   0.152  -4.880  -4.880
  357    HB   THR  46           HB       THR  46   0.239  -7.295  -7.295
  358    HG1  THR  46           HG1      THR  46   2.274  -7.544  -7.544
  359   1HG2  THR  46          1HG2      THR  46  -0.659  -7.172  -7.172
  360   2HG2  THR  46          3HG2      THR  46   0.747  -8.220  -8.220
  361   3HG2  THR  46          2HG2      THR  46  -0.710  -8.525  -8.525
  362    H    THR  47           H        THR  47  -1.517  -5.337  -5.337
  363    HA   THR  47           HA       THR  47   0.640  -4.442  -4.442
  364    HB   THR  47           HB       THR  47  -1.306  -3.732  -3.732
  365    HG1  THR  47           HG1      THR  47  -2.961  -3.608  -3.608
  366   1HG2  THR  47          1HG2      THR  47  -0.984  -6.595  -6.595
  367   2HG2  THR  47          3HG2      THR  47  -1.776  -6.114  -6.114
  368   3HG2  THR  47          2HG2      THR  47  -0.058  -5.791  -5.791
  369    H    VAL  48           H        VAL  48  -1.955  -2.867  -2.867
  370    HA   VAL  48           HA       VAL  48  -1.317  -0.164  -0.164
  371    HB   VAL  48           HB       VAL  48  -2.704  -1.113  -1.113
  372   1HG1  VAL  48          3HG1      VAL  48  -2.445   1.578   1.578
  373   2HG1  VAL  48          2HG1      VAL  48  -3.719   1.228   1.228
  374   3HG1  VAL  48          1HG1      VAL  48  -2.027   1.153   1.153
  375   1HG2  VAL  48          3HG2      VAL  48  -3.655  -1.691  -1.691
  376   2HG2  VAL  48          2HG2      VAL  48  -4.733  -1.040  -1.040
  377   3HG2  VAL  48          1HG2      VAL  48  -4.091   0.018   0.018
  378    H    LYS  49           H        LYS  49  -0.416  -2.293  -2.293
  379    HA   LYS  49           HA       LYS  49   1.161  -0.515  -0.515
  380   1HB   LYS  49          2HB       LYS  49   0.427  -2.808  -2.808
  381   2HB   LYS  49          1HB       LYS  49   1.610  -3.491  -3.491
  382   1HG   LYS  49          2HG       LYS  49   3.319  -1.976  -1.976
  383   2HG   LYS  49          1HG       LYS  49   2.083  -1.908  -1.908
  384   1HD   LYS  49          2HD       LYS  49   3.055  -3.827  -3.827
  385   2HD   LYS  49          1HD       LYS  49   2.127  -4.590  -4.590
  386   1HE   LYS  49          2HE       LYS  49   4.249  -5.370  -5.370
  387   2HE   LYS  49          1HE       LYS  49   4.228  -3.889  -3.889
  388   1HZ   LYS  49          2HZ       LYS  49   5.269  -4.053  -4.053
  389   2HZ   LYS  49          1HZ       LYS  49   6.244  -4.172  -4.172
  390   3HZ   LYS  49          3HZ       LYS  49   5.397  -2.738  -2.738
  391    H    ALA  50           H        ALA  50   1.768  -2.053  -2.053
  392    HA   ALA  50           HA       ALA  50   4.666  -1.802  -1.802
  393   1HB   ALA  50          1HB       ALA  50   2.687  -2.911  -2.911
  394   2HB   ALA  50          3HB       ALA  50   3.950  -2.020  -2.020
  395   3HB   ALA  50          2HB       ALA  50   4.379  -3.348  -3.348
  396    H    ILE  51           H        ILE  51   1.981   0.106   0.106
  397    HA   ILE  51           HA       ILE  51   3.681   2.007   2.007
  398    HB   ILE  51           HB       ILE  51   0.856   2.383   2.383
  399   1HG1  ILE  51          2HG1      ILE  51   1.083   0.458   0.458
  400   2HG1  ILE  51          1HG1      ILE  51   0.196   1.773   1.773
  401   1HG2  ILE  51          2HG2      ILE  51   2.679   4.001   4.001
  402   2HG2  ILE  51          1HG2      ILE  51   0.954   3.983   3.983
  403   3HG2  ILE  51          3HG2      ILE  51   1.513   4.546   4.546
  404   1HD1  ILE  51          3HD1      ILE  51   2.363   2.513   2.513
  405   2HD1  ILE  51          2HD1      ILE  51   3.102   1.036   1.036
  406   3HD1  ILE  51          1HD1      ILE  51   1.788   0.938   0.938
  407    H    CYS  52           H        CYS  52   2.916   1.587   1.587
  408    HA   CYS  52           HA       CYS  52   3.737   4.372   4.372
  409   1HB   CYS  52          2HB       CYS  52   1.833   2.659   2.659
  410   2HB   CYS  52          1HB       CYS  52   3.149   2.735   2.735
  411    H    THR  53           H        THR  53   5.530   2.089   2.089
  412    HA   THR  53           HA       THR  53   7.286   1.611   1.611
  413    HB   THR  53           HB       THR  53   7.790   0.885   0.885
  414    HG1  THR  53           HG1      THR  53   6.841  -1.096  -1.096
  415   1HG2  THR  53          1HG2      THR  53   9.410   0.722   0.722
  416   2HG2  THR  53          3HG2      THR  53   8.742  -0.902  -0.902
  417   3HG2  THR  53          2HG2      THR  53   9.630  -0.179  -0.179
  418    H    GLY  54           H        GLY  54   8.545   3.348   3.348
  419   1HA   GLY  54          2HA       GLY  54  10.368   4.504   4.504
  420   2HA   GLY  54          1HA       GLY  54   9.171   5.644   5.644
  421    H    VAL  55           H        VAL  55   8.999   5.417   5.417
  422    HA   VAL  55           HA       VAL  55  11.526   4.849   4.849
  423    HB   VAL  55           HB       VAL  55  11.729   7.106   7.106
  424   1HG1  VAL  55          2HG1      VAL  55   9.439   7.844   7.844
  425   2HG1  VAL  55          1HG1      VAL  55  10.461   8.335   8.335
  426   3HG1  VAL  55          3HG1      VAL  55  10.727   9.020   9.020
  427   1HG2  VAL  55          3HG2      VAL  55  12.909   6.120   6.120
  428   2HG2  VAL  55          2HG2      VAL  55  13.481   7.487   7.487
  429   3HG2  VAL  55          1HG2      VAL  55  12.447   7.764   7.764
  430    H    ILE  56           H        ILE  56  11.133   6.302   6.302
  431    HA   ILE  56           HA       ILE  56   8.739   4.955   4.955
  432    HB   ILE  56           HB       ILE  56  10.954   4.849   4.849
  433   1HG1  ILE  56          2HG1      ILE  56   9.077   6.347   6.347
  434   2HG1  ILE  56          1HG1      ILE  56   8.603   4.783   4.783
  435   1HG2  ILE  56          2HG2      ILE  56  11.603   7.229   7.229
  436   2HG2  ILE  56          1HG2      ILE  56  10.459   7.759   7.759
  437   3HG2  ILE  56          3HG2      ILE  56  11.851   6.777   6.777
  438   1HD1  ILE  56          3HD1      ILE  56  11.309   5.076   5.076
  439   2HD1  ILE  56          2HD1      ILE  56   9.892   4.905   4.905
  440   3HD1  ILE  56          1HD1      ILE  56  10.289   3.643   3.643
  441    H    ASN  57           H        ASN  57   8.467   7.396   7.396
  442    HA   ASN  57           HA       ASN  57   6.246   8.698   8.698
  443   1HB   ASN  57          2HB       ASN  57   8.236   9.545   9.545
  444   2HB   ASN  57          1HB       ASN  57   8.602  10.564  10.564
  445   1HD2  ASN  57          2HD2      ASN  57   5.636  11.644  11.644
  446   2HD2  ASN  57          1HD2      ASN  57   6.786  10.457  10.457
  447    H    MET  58           H        MET  58   5.284   9.264   9.264
  448    HA   MET  58           HA       MET  58   6.702  10.964  10.964
  449   1HB   MET  58          2HB       MET  58   7.287   8.402   8.402
  450   2HB   MET  58          1HB       MET  58   5.714   8.365   8.365
  451   1HG   MET  58          2HG       MET  58   6.411   9.702   9.702
  452   2HG   MET  58          1HG       MET  58   7.568  10.579  10.579
  453   1HE   MET  58          3HE       MET  58   6.966   8.807   8.807
  454   2HE   MET  58          2HE       MET  58   8.548   8.268   8.268
  455   3HE   MET  58          1HE       MET  58   7.448   7.117   7.117
  456    H    ASN  59           H        ASN  59   5.291  11.173  11.173
  457    HA   ASN  59           HA       ASN  59   2.360  11.037  11.037
  458   1HB   ASN  59          2HB       ASN  59   3.348  13.379  13.379
  459   2HB   ASN  59          1HB       ASN  59   3.743  13.359  13.359
  460   1HD2  ASN  59          2HD2      ASN  59   0.201  14.714  14.714
  461   2HD2  ASN  59          1HD2      ASN  59   1.632  14.891  14.891
  462    H    VAL  60           H        VAL  60   1.552   9.675   9.675
  463    HA   VAL  60           HA       VAL  60   2.745   9.908   9.908
  464    HB   VAL  60           HB       VAL  60   3.666   7.929   7.929
  465   1HG1  VAL  60          3HG1      VAL  60   0.757   7.114   7.114
  466   2HG1  VAL  60          2HG1      VAL  60   2.131   6.067   6.067
  467   3HG1  VAL  60          1HG1      VAL  60   1.848   7.513   7.513
  468   1HG2  VAL  60          3HG2      VAL  60   3.043   7.930   7.930
  469   2HG2  VAL  60          2HG2      VAL  60   3.256   6.351   6.351
  470   3HG2  VAL  60          1HG2      VAL  60   1.634   6.976   6.976
  471    H    LEU  61           H        LEU  61   1.318   9.020   9.020
  472    HA   LEU  61           HA       LEU  61  -1.583   9.174   9.174
  473   1HB   LEU  61          2HB       LEU  61  -0.242  11.105  11.105
  474   2HB   LEU  61          1HB       LEU  61  -0.826  10.067  10.067
  475    HG   LEU  61           HG       LEU  61  -2.675  10.917  10.917
  476   1HD1  LEU  61          1HD1      LEU  61  -1.362  12.774  12.774
  477   2HD1  LEU  61          3HD1      LEU  61  -2.872  12.498  12.498
  478   3HD1  LEU  61          2HD1      LEU  61  -2.906  13.029  13.029
  479   1HD2  LEU  61          3HD2      LEU  61  -3.149   9.094   9.094
  480   2HD2  LEU  61          2HD2      LEU  61  -4.374  10.341  10.341
  481   3HD2  LEU  61          1HD2      LEU  61  -3.274  10.432  10.432
  482    H    SER  62           H        SER  62  -2.378   7.139   7.139
  483    HA   SER  62           HA       SER  62  -1.209   5.114   5.114
  484   1HB   SER  62          2HB       SER  62  -4.126   5.344   5.344
  485   2HB   SER  62          1HB       SER  62  -3.258   3.883   3.883
  486    HG   SER  62           HG       SER  62  -2.913   5.508   5.508
  487    H    THR  63           H        THR  63  -0.770   5.989   5.989
  488    HA   THR  63           HA       THR  63  -2.851   7.248   7.248
  489    HB   THR  63           HB       THR  63  -1.046   6.841   6.841
  490    HG1  THR  63           HG1      THR  63   0.641   6.590   6.590
  491   1HG2  THR  63          1HG2      THR  63  -1.550   8.888   8.888
  492   2HG2  THR  63          3HG2      THR  63   0.165   8.580   8.580
  493   3HG2  THR  63          2HG2      THR  63  -0.409   8.974   8.974
  494    H    THR  64           H        THR  64  -1.093   4.136   4.136
  495    HA   THR  64           HA       THR  64  -2.560   2.980   2.980
  496    HB   THR  64           HB       THR  64  -1.889   0.771   0.771
  497    HG1  THR  64           HG1      THR  64  -0.228   1.193   1.193
  498   1HG2  THR  64          1HG2      THR  64  -0.499   2.506   2.506
  499   2HG2  THR  64          3HG2      THR  64   0.606   2.309   2.309
  500   3HG2  THR  64          2HG2      THR  64   0.056   0.897   0.897
  501    H    ARG  65           H        ARG  65  -4.723   3.008   3.008
  502    HA   ARG  65           HA       ARG  65  -6.559   3.301   3.301
  503   1HB   ARG  65          2HB       ARG  65  -8.172   2.072   2.072
  504   2HB   ARG  65          1HB       ARG  65  -7.112   3.053   3.053
  505   1HG   ARG  65          2HG       ARG  65  -5.651   0.870   0.870
  506   2HG   ARG  65          1HG       ARG  65  -7.152   0.070   0.070
  507   1HD   ARG  65          2HD       ARG  65  -8.278   0.812   0.812
  508   2HD   ARG  65          1HD       ARG  65  -7.036   2.013   2.013
  509    HE   ARG  65           HE       ARG  65  -6.838  -0.891  -0.891
  510   1HH1  ARG  65          1HH2      ARG  65  -4.204  -0.344  -0.344
  511   2HH1  ARG  65          2HH2      ARG  65  -3.367   0.350   0.350
  512   1HH2  ARG  65          2HH1      ARG  65  -6.271   1.117   1.117
  513   2HH2  ARG  65          1HH1      ARG  65  -4.541   1.177   1.177
  514    H    PHE  66           H        PHE  66  -6.517   2.406   2.406
  515    HA   PHE  66           HA       PHE  66  -6.096  -0.546  -0.546
  516   1HB   PHE  66          2HB       PHE  66  -6.093   1.799   1.799
  517   2HB   PHE  66          1HB       PHE  66  -6.347   0.171   0.171
  518    HD1  PHE  66           HD2      PHE  66  -3.942   2.430   2.430
  519    HD2  PHE  66           HD1      PHE  66  -4.547  -1.504  -1.504
  520    HE1  PHE  66           HE2      PHE  66  -1.518   1.985   1.985
  521    HE2  PHE  66           HE1      PHE  66  -2.122  -1.930  -1.930
  522    HZ   PHE  66           HZ       PHE  66  -0.605  -0.193  -0.193
  523    H    GLN  67           H        GLN  67  -8.453   0.195   0.195
  524    HA   GLN  67           HA       GLN  67 -10.840   0.401   0.401
  525   1HB   GLN  67          2HB       GLN  67  -9.806  -2.331  -2.331
  526   2HB   GLN  67          1HB       GLN  67 -11.548  -2.045  -2.045
  527   1HG   GLN  67          2HG       GLN  67 -10.897  -0.791  -0.791
  528   2HG   GLN  67          1HG       GLN  67  -9.551  -1.928  -1.928
  529   1HE2  GLN  67          2HE2      GLN  67 -11.525  -4.686  -4.686
  530   2HE2  GLN  67          1HE2      GLN  67  -9.976  -4.072  -4.072
  531    H    LEU  68           H        LEU  68 -11.948   1.632   1.632
  532    HA   LEU  68           HA       LEU  68 -12.048   0.590   0.590
  533   1HB   LEU  68          2HB       LEU  68 -13.101   2.898   2.898
  534   2HB   LEU  68          1HB       LEU  68 -11.379   2.821   2.821
  535    HG   LEU  68           HG       LEU  68 -11.686   3.668   3.668
  536   1HD1  LEU  68          3HD1      LEU  68 -14.613   3.181   3.181
  537   2HD1  LEU  68          2HD1      LEU  68 -14.103   4.353   4.353
  538   3HD1  LEU  68          1HD1      LEU  68 -13.658   2.656   2.656
  539   1HD2  LEU  68          2HD2      LEU  68 -11.844   5.254   5.254
  540   2HD2  LEU  68          1HD2      LEU  68 -12.538   5.860   5.860
  541   3HD2  LEU  68          3HD2      LEU  68 -13.588   5.231   5.231
  542    H    ASN  69           H        ASN  69 -14.003   0.528   0.528
  543    HA   ASN  69           HA       ASN  69 -16.480   0.225   0.225
  544   1HB   ASN  69          2HB       ASN  69 -15.440  -1.811  -1.811
  545   2HB   ASN  69          1HB       ASN  69 -16.209  -0.986  -0.986
  546   1HD2  ASN  69          2HD2      ASN  69 -19.458  -1.989  -1.989
  547   2HD2  ASN  69          1HD2      ASN  69 -18.476  -1.159  -1.159
  548    H    THR  70           H        THR  70 -17.228   2.385   2.385
  549    HA   THR  70           HA       THR  70 -17.116   3.565   3.565
  550    HB   THR  70           HB       THR  70 -18.003   4.931   4.931
  551    HG1  THR  70           HG1      THR  70 -15.979   4.267   4.267
  552   1HG2  THR  70          3HG2      THR  70 -18.116   5.763   5.763
  553   2HG2  THR  70          2HG2      THR  70 -16.527   6.355   6.355
  554   3HG2  THR  70          1HG2      THR  70 -17.964   6.844   6.844
  555    H    CYS  71           H        CYS  71 -18.760   3.608   3.608
  556    HA   CYS  71           HA       CYS  71 -21.550   3.397   3.397
  557   1HB   CYS  71          2HB       CYS  71 -20.368   2.607   2.607
  558   2HB   CYS  71          1HB       CYS  71 -22.095   2.892   2.892
  559    H    THR  72           H        THR  72 -22.141   5.517   5.517
  560    HA   THR  72           HA       THR  72 -21.166   7.556   7.556
  561    HB   THR  72           HB       THR  72 -22.741   8.124   8.124
  562    HG1  THR  72           HG1      THR  72 -21.047   6.826   6.826
  563   1HG2  THR  72          3HG2      THR  72 -20.814   9.625   9.625
  564   2HG2  THR  72          2HG2      THR  72 -21.082  10.119  10.119
  565   3HG2  THR  72          1HG2      THR  72 -22.427  10.103  10.103
  566    H    ARG  73           H        ARG  73 -22.565   8.875   8.875
  567    HA   ARG  73           HA       ARG  73 -25.163   7.809   7.809
  568   1HB   ARG  73          2HB       ARG  73 -23.668   9.090   9.090
  569   2HB   ARG  73          1HB       ARG  73 -23.981  10.541  10.541
  570   1HG   ARG  73          2HG       ARG  73 -26.531   9.511   9.511
  571   2HG   ARG  73          1HG       ARG  73 -25.651   9.261   9.261
  572   1HD   ARG  73          2HD       ARG  73 -24.885  11.685  11.685
  573   2HD   ARG  73          1HD       ARG  73 -26.068  11.865  11.865
  574    HE   ARG  73           HE       ARG  73 -27.000  10.859  10.859
  575   1HH1  ARG  73          2HH1      ARG  73 -29.170  11.483  11.483
  576   2HH1  ARG  73          1HH1      ARG  73 -29.505  13.160  13.160
  577   1HH2  ARG  73          1HH2      ARG  73 -26.430  13.807  13.807
  578   2HH2  ARG  73          2HH2      ARG  73 -27.956  14.474  14.474
  579    H    THR  74           H        THR  74 -26.891   7.997   7.997
  580    HA   THR  74           HA       THR  74 -27.370  10.641  10.641
  581    HB   THR  74           HB       THR  74 -28.220   9.235   9.235
  582    HG1  THR  74           HG1      THR  74 -27.492   7.237   7.237
  583   1HG2  THR  74          1HG2      THR  74 -25.915  10.626  10.626
  584   2HG2  THR  74          3HG2      THR  74 -25.282   9.050   9.050
  585   3HG2  THR  74          2HG2      THR  74 -26.334   9.946   9.946
  586    H    SER  75           H        SER  75 -29.274   7.709   7.709
  587    HA   SER  75           HA       SER  75 -31.274   7.980   7.980
  588   1HB   SER  75          2HB       SER  75 -33.044   9.127   9.127
  589   2HB   SER  75          1HB       SER  75 -31.734  10.182  10.182
  590    HG   SER  75           HG       SER  75 -32.546   9.651   9.651
  591    H    ILE  76           H        ILE  76 -32.169   5.992   5.992
  592    HA   ILE  76           HA       ILE  76 -33.211   4.917   4.917
  593    HB   ILE  76           HB       ILE  76 -32.092   2.686   2.686
  594   1HG1  ILE  76          2HG1      ILE  76 -30.193   4.328   4.328
  595   2HG1  ILE  76          1HG1      ILE  76 -31.470   3.333   3.333
  596   1HG2  ILE  76          2HG2      ILE  76 -31.335   4.398   4.398
  597   2HG2  ILE  76          1HG2      ILE  76 -30.158   4.956   4.956
  598   3HG2  ILE  76          3HG2      ILE  76 -30.067   3.310   3.310
  599   1HD1  ILE  76          1HD1      ILE  76 -29.427   2.253   2.253
  600   2HD1  ILE  76          3HD1      ILE  76 -29.204   2.196   2.196
  601   3HD1  ILE  76          2HD1      ILE  76 -30.548   1.331   1.331
  602    H    THR  77           H        THR  77 -34.056   2.501   2.501
  603    HA   THR  77           HA       THR  77 -36.321   2.859   2.859
  604    HB   THR  77           HB       THR  77 -35.715   0.117   0.117
  605    HG1  THR  77           HG1      THR  77 -34.808  -0.489  -0.489
  606   1HG2  THR  77          2HG2      THR  77 -37.400   1.806   1.806
  607   2HG2  THR  77          1HG2      THR  77 -37.250   0.084   0.084
  608   3HG2  THR  77          3HG2      THR  77 -37.892   0.615   0.615
  609    HA   PRO  78           HA       PRO  78 -34.176   0.894   0.894
  610   1HB   PRO  78          2HB       PRO  78 -31.448   0.542   0.542
  611   2HB   PRO  78          1HB       PRO  78 -32.623  -0.699  -0.699
  612   1HG   PRO  78          2HG       PRO  78 -30.908   1.024   1.024
  613   2HG   PRO  78          1HG       PRO  78 -31.538  -0.604  -0.604
  614   1HD   PRO  78          2HD       PRO  78 -32.591   1.763   1.763
  615   2HD   PRO  78          1HD       PRO  78 -33.437   0.207   0.207
  616    H    ARG  79           H        ARG  79 -34.158   2.406   2.406
  617    HA   ARG  79           HA       ARG  79 -32.057   4.489   4.489
  618   1HB   ARG  79          2HB       ARG  79 -34.944   4.953   4.953
  619   2HB   ARG  79          1HB       ARG  79 -34.206   6.023   6.023
  620   1HG   ARG  79          2HG       ARG  79 -32.769   6.974   6.974
  621   2HG   ARG  79          1HG       ARG  79 -32.704   5.521   5.521
  622   1HD   ARG  79          2HD       ARG  79 -33.963   7.368   7.368
  623   2HD   ARG  79          1HD       ARG  79 -34.965   5.941   5.941
  624    HE   ARG  79           HE       ARG  79 -35.035   8.159   8.159
  625   1HH1  ARG  79          1HH2      ARG  79 -36.679   5.498   5.498
  626   2HH1  ARG  79          2HH2      ARG  79 -38.207   6.280   6.280
  627   1HH2  ARG  79          2HH1      ARG  79 -36.927   9.478   9.478
  628   2HH2  ARG  79          1HH1      ARG  79 -38.348   8.537   8.537
  629    HA   PRO  80           HA       PRO  80 -32.450   6.614   6.614
  630   1HB   PRO  80          2HB       PRO  80 -30.860   7.459   7.459
  631   2HB   PRO  80          1HB       PRO  80 -32.613   7.707   7.707
  632   1HG   PRO  80          2HG       PRO  80 -31.039   5.762   5.762
  633   2HG   PRO  80          1HG       PRO  80 -32.610   6.500   6.500
  634   1HD   PRO  80          2HD       PRO  80 -32.205   3.878   3.878
  635   2HD   PRO  80          1HD       PRO  80 -33.748   4.758   4.758
  636    H    CYS  81           H        CYS  81 -29.981   7.606   7.606
  637    HA   CYS  81           HA       CYS  81 -27.811   7.342   7.342
  638   1HB   CYS  81          2HB       CYS  81 -28.133   4.986   4.986
  639   2HB   CYS  81          1HB       CYS  81 -26.647   5.210   5.210
  640    HA   PRO  82           HA       PRO  82 -29.316   4.259   4.259
  641   1HB   PRO  82          2HB       PRO  82 -29.957   6.074   6.074
  642   2HB   PRO  82          1HB       PRO  82 -31.119   5.478   5.478
  643   1HG   PRO  82          2HG       PRO  82 -29.806   8.144   8.144
  644   2HG   PRO  82          1HG       PRO  82 -31.331   7.688   7.688
  645   1HD   PRO  82          2HD       PRO  82 -28.850   8.146   8.146
  646   2HD   PRO  82          1HD       PRO  82 -30.315   7.452   7.452
  647    H    TYR  83           H        TYR  83 -27.893   3.534   3.534
  648    HA   TYR  83           HA       TYR  83 -25.718   5.396   5.396
  649   1HB   TYR  83          2HB       TYR  83 -25.374   2.758   2.758
  650   2HB   TYR  83          1HB       TYR  83 -24.138   3.343   3.343
  651    HD1  TYR  83           HD2      TYR  83 -26.199   4.424   4.424
  652    HD2  TYR  83           HD1      TYR  83 -22.554   4.886   4.886
  653    HE1  TYR  83           HE2      TYR  83 -25.365   5.976   5.976
  654    HE2  TYR  83           HE1      TYR  83 -21.708   6.437   6.437
  655    HH   TYR  83           HH       TYR  83 -23.741   7.728   7.728
  656    H    SER  84           H        SER  84 -24.954   5.060   5.060
  657    HA   SER  84           HA       SER  84 -26.200   2.810   2.810
  658   1HB   SER  84          2HB       SER  84 -26.822   5.279   5.279
  659   2HB   SER  84          1HB       SER  84 -25.179   5.398   5.398
  660    HG   SER  84           HG       SER  84 -25.692   3.537   3.537
  661    H    SER  85           H        SER  85 -24.763   1.465   1.465
  662    HA   SER  85           HA       SER  85 -21.885   1.959   1.959
  663   1HB   SER  85          2HB       SER  85 -23.174  -0.538  -0.538
  664   2HB   SER  85          1HB       SER  85 -21.559  -0.385  -0.385
  665    HG   SER  85           HG       SER  85 -23.364  -1.224  -1.224
  666    H    ARG  86           H        ARG  86 -20.371   2.181   2.181
  667    HA   ARG  86           HA       ARG  86 -20.952   1.698   1.698
  668   1HB   ARG  86          2HB       ARG  86 -20.664   4.416   4.416
  669   2HB   ARG  86          1HB       ARG  86 -19.853   4.126   4.126
  670   1HG   ARG  86          2HG       ARG  86 -22.755   3.401   3.401
  671   2HG   ARG  86          1HG       ARG  86 -22.267   5.001   5.001
  672   1HD   ARG  86          2HD       ARG  86 -20.856   3.590   3.590
  673   2HD   ARG  86          1HD       ARG  86 -22.069   2.360   2.360
  674    HE   ARG  86           HE       ARG  86 -23.161   5.012   5.012
  675   1HH1  ARG  86          2HH1      ARG  86 -24.293   2.136   2.136
  676   2HH1  ARG  86          1HH1      ARG  86 -24.330   2.065   2.065
  677   1HH2  ARG  86          1HH2      ARG  86 -22.282   4.831   4.831
  678   2HH2  ARG  86          2HH2      ARG  86 -23.192   3.591   3.591
  679    H    THR  87           H        THR  87 -19.146   0.634   0.634
  680    HA   THR  87           HA       THR  87 -16.550   1.117   1.117
  681    HB   THR  87           HB       THR  87 -17.262  -1.166  -1.166
  682    HG1  THR  87           HG1      THR  87 -17.847  -2.287  -2.287
  683   1HG2  THR  87          2HG2      THR  87 -14.825  -0.560  -0.560
  684   2HG2  THR  87          1HG2      THR  87 -15.172  -1.062  -1.062
  685   3HG2  THR  87          3HG2      THR  87 -15.314  -2.221  -2.221
  686    H    GLU  88           H        GLU  88 -14.642   1.503   1.503
  687    HA   GLU  88           HA       GLU  88 -14.530   1.596   1.596
  688   1HB   GLU  88          2HB       GLU  88 -14.543   4.073   4.073
  689   2HB   GLU  88          1HB       GLU  88 -16.107   3.447   3.447
  690   1HG   GLU  88          2HG       GLU  88 -15.442   3.984   3.984
  691   2HG   GLU  88          1HG       GLU  88 -14.022   4.807   4.807
  692    H    THR  89           H        THR  89 -12.683   3.472   3.472
  693    HA   THR  89           HA       THR  89 -10.213   2.495   2.495
  694    HB   THR  89           HB       THR  89 -10.935   5.323   5.323
  695    HG1  THR  89           HG1      THR  89 -10.444   4.538   4.538
  696   1HG2  THR  89          2HG2      THR  89  -8.448   4.280   4.280
  697   2HG2  THR  89          1HG2      THR  89  -8.285   4.565   4.565
  698   3HG2  THR  89          3HG2      THR  89  -8.782   5.877   5.877
  699    H    ASN  90           H        ASN  90  -8.931   2.826   2.826
  700    HA   ASN  90           HA       ASN  90 -10.051   4.653   4.653
  701   1HB   ASN  90          2HB       ASN  90  -9.819   2.167   2.167
  702   2HB   ASN  90          1HB       ASN  90  -8.082   2.446   2.446
  703   1HD2  ASN  90          2HD2      ASN  90  -8.387   3.252   3.252
  704   2HD2  ASN  90          1HD2      ASN  90  -7.731   2.189   2.189
  705    H    TYR  91           H        TYR  91  -9.087   6.506   6.506
  706    HA   TYR  91           HA       TYR  91  -6.110   6.731   6.731
  707   1HB   TYR  91          2HB       TYR  91  -8.071   7.961   7.961
  708   2HB   TYR  91          1HB       TYR  91  -7.616   9.214   9.214
  709    HD1  TYR  91           HD2      TYR  91  -6.225   6.767   6.767
  710    HD2  TYR  91           HD1      TYR  91  -5.568  10.373  10.373
  711    HE1  TYR  91           HE2      TYR  91  -4.153   7.195   7.195
  712    HE2  TYR  91           HE1      TYR  91  -3.501  10.804  10.804
  713    HH   TYR  91           HH       TYR  91  -2.789   9.752   9.752
  714    H    ILE  92           H        ILE  92  -5.631   6.742   6.742
  715    HA   ILE  92           HA       ILE  92  -7.258   8.629   8.629
  716    HB   ILE  92           HB       ILE  92  -7.607   6.184   6.184
  717   1HG1  ILE  92          2HG1      ILE  92  -6.417   7.710   7.710
  718   2HG1  ILE  92          1HG1      ILE  92  -8.056   7.906   7.906
  719   1HG2  ILE  92          3HG2      ILE  92  -4.714   6.236   6.236
  720   2HG2  ILE  92          2HG2      ILE  92  -5.418   5.557   5.557
  721   3HG2  ILE  92          1HG2      ILE  92  -5.801   4.855   4.855
  722   1HD1  ILE  92          1HD1      ILE  92  -7.514   5.102   5.102
  723   2HD1  ILE  92          3HD1      ILE  92  -7.185   6.031   6.031
  724   3HD1  ILE  92          2HD1      ILE  92  -8.773   6.117   6.117
  725    H    CYS  93           H        CYS  93  -6.211   9.509   9.509
  726    HA   CYS  93           HA       CYS  93  -3.266  10.011  10.011
  727   1HB   CYS  93          2HB       CYS  93  -4.706  12.044  12.044
  728   2HB   CYS  93          1HB       CYS  93  -5.316  11.782  11.782
  729    H    VAL  94           H        VAL  94  -2.159   8.852   8.852
  730    HA   VAL  94           HA       VAL  94  -3.231   8.506   8.506
  731    HB   VAL  94           HB       VAL  94  -2.365   6.224   6.224
  732   1HG1  VAL  94          3HG1      VAL  94  -4.602   6.610   6.610
  733   2HG1  VAL  94          2HG1      VAL  94  -3.853   6.867   6.867
  734   3HG1  VAL  94          1HG1      VAL  94  -3.773   5.280   5.280
  735   1HG2  VAL  94          2HG2      VAL  94  -1.219   7.071   7.071
  736   2HG2  VAL  94          1HG2      VAL  94  -0.364   6.372   6.372
  737   3HG2  VAL  94          3HG2      VAL  94  -1.452   5.371   5.371
  738    H    LYS  95           H        LYS  95  -1.130   7.412   7.412
  739    HA   LYS  95           HA       LYS  95   1.295   8.974   8.974
  740   1HB   LYS  95          2HB       LYS  95  -0.340   9.230   9.230
  741   2HB   LYS  95          1HB       LYS  95   1.378   9.634   9.634
  742   1HG   LYS  95          2HG       LYS  95   0.943  11.200  11.200
  743   2HG   LYS  95          1HG       LYS  95  -0.778  10.842  10.842
  744   1HD   LYS  95          2HD       LYS  95  -0.916  11.810  11.810
  745   2HD   LYS  95          1HD       LYS  95   0.840  11.870  11.870
  746   1HE   LYS  95          2HE       LYS  95   0.616  13.344  13.344
  747   2HE   LYS  95          1HE       LYS  95  -0.984  13.657  13.657
  748   1HZ   LYS  95          3HZ       LYS  95   0.177  14.217  14.217
  749   2HZ   LYS  95          2HZ       LYS  95   1.645  14.161  14.161
  750   3HZ   LYS  95          1HZ       LYS  95   0.457  15.302  15.302
  751    H    CYS  96           H        CYS  96   3.210   8.132   8.132
  752    HA   CYS  96           HA       CYS  96   2.789   5.316   5.316
  753   1HB   CYS  96          2HB       CYS  96   5.412   6.204   6.204
  754   2HB   CYS  96          1HB       CYS  96   4.672   4.608   4.608
  755    H    GLU  97           H        GLU  97   3.163   5.044   5.044
  756    HA   GLU  97           HA       GLU  97   5.531   6.342   6.342
  757   1HB   GLU  97          2HB       GLU  97   3.506   7.358   7.358
  758   2HB   GLU  97          1HB       GLU  97   2.833   5.759   5.759
  759   1HG   GLU  97          2HG       GLU  97   4.349   5.318   5.318
  760   2HG   GLU  97          1HG       GLU  97   5.537   6.466   6.466
  761    H    ASN  98           H        ASN  98   6.748   4.748   4.748
  762    HA   ASN  98           HA       ASN  98   7.523   2.511   2.511
  763   1HB   ASN  98          2HB       ASN  98   4.586   2.465   2.465
  764   2HB   ASN  98          1HB       ASN  98   5.373   0.901   0.901
  765   1HD2  ASN  98          2HD2      ASN  98   7.618   1.495   1.495
  766   2HD2  ASN  98          1HD2      ASN  98   7.721   0.972   0.972
  767    H    GLN  99           H        GLN  99   6.905   3.542   3.542
  768    HA   GLN  99           HA       GLN  99   6.722   3.028   3.028
  769   1HB   GLN  99          2HB       GLN  99   7.872   0.992   0.992
  770   2HB   GLN  99          1HB       GLN  99   8.804   1.840   1.840
  771   1HG   GLN  99          2HG       GLN  99   8.163   0.259   0.259
  772   2HG   GLN  99          1HG       GLN  99   6.965  -0.482  -0.482
  773   1HE2  GLN  99          2HE2      GLN  99  10.945  -1.203  -1.203
  774   2HE2  GLN  99          1HE2      GLN  99  10.501   0.271   0.271
  775    H    TYR 100           H        TYR 100   4.429   1.937   1.937
  776    HA   TYR 100           HA       TYR 100   3.095   0.464   0.464
  777   1HB   TYR 100          2HB       TYR 100   2.282  -1.101  -1.101
  778   2HB   TYR 100          1HB       TYR 100   3.443  -0.501  -0.501
  779    HD1  TYR 100           HD2      TYR 100  -0.059   0.362   0.362
  780    HD2  TYR 100           HD1      TYR 100   2.631   0.021   0.021
  781    HE1  TYR 100           HE2      TYR 100  -1.894   0.983   0.983
  782    HE2  TYR 100           HE1      TYR 100   0.795   0.639   0.639
  783    HH   TYR 100           HH       TYR 100  -1.632   2.131   2.131
  784    HA   PRO 101           HA       PRO 101   0.655   4.109   4.109
  785   1HB   PRO 101          2HB       PRO 101  -1.812   3.053   3.053
  786   2HB   PRO 101          1HB       PRO 101  -0.475   3.300   3.300
  787   1HG   PRO 101          2HG       PRO 101  -1.363   0.766   0.766
  788   2HG   PRO 101          1HG       PRO 101  -0.720   0.993   0.993
  789   1HD   PRO 101          2HD       PRO 101   0.806   0.008   0.008
  790   2HD   PRO 101          1HD       PRO 101   1.498   0.956   0.956
  791    H    VAL 102           H        VAL 102   0.742   4.663   4.663
  792    HA   VAL 102           HA       VAL 102  -1.145   3.425   3.425
  793    HB   VAL 102           HB       VAL 102   1.081   5.465   5.465
  794   1HG1  VAL 102          2HG1      VAL 102  -0.785   4.403   4.403
  795   2HG1  VAL 102          1HG1      VAL 102   0.742   5.219   5.219
  796   3HG1  VAL 102          3HG1      VAL 102  -0.559   6.087   6.087
  797   1HG2  VAL 102          1HG2      VAL 102   1.235   2.762   2.762
  798   2HG2  VAL 102          3HG2      VAL 102   2.376   3.736   3.736
  799   3HG2  VAL 102          2HG2      VAL 102   1.041   2.940   2.940
  800    H    HIS 103           H        HIS 103  -1.243   6.093   6.093
  801    HA   HIS 103           HA       HIS 103  -3.519   7.161   7.161
  802   1HB   HIS 103          2HB       HIS 103  -2.060   9.390   9.390
  803   2HB   HIS 103          1HB       HIS 103  -2.549   9.128   9.128
  804    HD1  HIS 103           HD1      HIS 103  -0.567   9.083   9.083
  805    HD2  HIS 103           HD2      HIS 103   0.391   7.517   7.517
  806    HE1  HIS 103           HE1      HIS 103   1.874   8.362   8.362
  807    H    PHE 104           H        PHE 104  -5.229   6.979   6.979
  808    HA   PHE 104           HA       PHE 104  -4.919   7.640   7.640
  809   1HB   PHE 104          2HB       PHE 104  -6.987   6.026   6.026
  810   2HB   PHE 104          1HB       PHE 104  -7.403   6.758   6.758
  811    HD1  PHE 104           HD2      PHE 104  -3.929   6.013   6.013
  812    HD2  PHE 104           HD1      PHE 104  -7.791   4.101   4.101
  813    HE1  PHE 104           HE2      PHE 104  -2.959   4.117   4.117
  814    HE2  PHE 104           HE1      PHE 104  -6.794   2.180   2.180
  815    HZ   PHE 104           HZ       PHE 104  -4.395   2.216   2.216
  816    H    ALA 105           H        ALA 105  -5.278   9.828   9.828
  817    HA   ALA 105           HA       ALA 105  -7.433  11.095  11.095
  818   1HB   ALA 105          1HB       ALA 105  -4.913  11.581  11.581
  819   2HB   ALA 105          3HB       ALA 105  -5.027  12.652  12.652
  820   3HB   ALA 105          2HB       ALA 105  -6.080  12.904  12.904
  821    H    GLY 106           H        GLY 106  -6.853  10.335  10.335
  822   1HA   GLY 106          2HA       GLY 106  -8.552  12.569  12.569
  823   2HA   GLY 106          1HA       GLY 106  -6.975  12.442  12.442
  824    H    ILE 107           H        ILE 107  -9.404  12.168  12.168
  825    HA   ILE 107           HA       ILE 107  -9.563   9.249   9.249
  826    HB   ILE 107           HB       ILE 107 -11.415  11.481  11.481
  827   1HG1  ILE 107          2HG1      ILE 107 -12.027   9.399   9.399
  828   2HG1  ILE 107          1HG1      ILE 107 -11.252  10.921  10.921
  829   1HG2  ILE 107          1HG2      ILE 107 -11.317   8.512   8.512
  830   2HG2  ILE 107          3HG2      ILE 107 -12.896   9.274   9.274
  831   3HG2  ILE 107          2HG2      ILE 107 -11.832   9.764   9.764
  832   1HD1  ILE 107          2HD1      ILE 107 -13.186  12.000  12.000
  833   2HD1  ILE 107          1HD1      ILE 107 -13.995  10.456  10.456
  834   3HD1  ILE 107          3HD1      ILE 107 -13.517  11.452  11.452
  835    H    GLY 108           H        GLY 108  -7.373  11.093  11.093
  836   1HA   GLY 108          2HA       GLY 108  -6.279  10.362  10.362
  837   2HA   GLY 108          1HA       GLY 108  -7.719  11.061  11.061
  838    H    ARG 109           H        ARG 109  -8.168  13.411  13.411
  839    HA   ARG 109           HA       ARG 109  -6.035  15.106  15.106
  840   1HB   ARG 109          2HB       ARG 109  -8.702  15.473  15.473
  841   2HB   ARG 109          1HB       ARG 109  -8.012  16.298  16.298
  842   1HG   ARG 109          2HG       ARG 109  -6.624  17.683  17.683
  843   2HG   ARG 109          1HG       ARG 109  -7.158  16.795  16.795
  844   1HD   ARG 109          2HD       ARG 109  -9.426  17.589  17.589
  845   2HD   ARG 109          1HD       ARG 109  -9.030  18.322  18.322
  846    HE   ARG 109           HE       ARG 109  -8.605  19.546  19.546
  847   1HH1  ARG 109          2HH1      ARG 109  -5.974  19.884  19.884
  848   2HH1  ARG 109          1HH1      ARG 109  -5.562  20.963  20.963
  849   1HH2  ARG 109          1HH2      ARG 109  -8.586  20.576  20.576
  850   2HH2  ARG 109          2HH2      ARG 109  -7.039  21.353  21.353
  851    H    CYS 110           H        CYS 110  -4.824  16.669  16.669
  852    HA   CYS 110           HA       CYS 110  -4.676  16.598  16.598
  853   1HB   CYS 110          2HB       CYS 110  -3.347  14.441  14.441
  854   2HB   CYS 110          1HB       CYS 110  -2.140  15.443  15.443
  855    HA   PRO 111           HA       PRO 111  -2.065  20.084  20.084
  856   1HB   PRO 111          2HB       PRO 111  -0.364  20.217  20.217
  857   2HB   PRO 111          1HB       PRO 111  -2.069  20.688  20.688
  858   1HG   PRO 111          2HG       PRO 111  -0.746  18.235  18.235
  859   2HG   PRO 111          1HG       PRO 111  -2.199  19.065  19.065
  860   1HD   PRO 111          1HD       PRO 111  -2.167  16.707  16.707
  861   2HD   PRO 111          2HD       PRO 111  -3.572  17.762  17.762

  Start of MODEL    6
    1    HN   PCA   1           HN       PCA   1  -2.931   5.282   5.282
    2    HA   PCA   1           HA       PCA   1  -4.754   4.255   4.255
    3   1HB   PCA   1          1HB       PCA   1  -4.559   4.713   4.713
    4   2HB   PCA   1          2HB       PCA   1  -2.974   3.917   3.917
    5   1HG   PCA   1          1HG       PCA   1  -3.585   6.743   6.743
    6   2HG   PCA   1          2HG       PCA   1  -2.007   5.960   5.960
    7    H    ASN   2           H        ASN   2  -3.966   2.119   2.119
    8    HA   ASN   2           HA       ASN   2  -1.728   0.649   0.649
    9   1HB   ASN   2          2HB       ASN   2  -3.192   0.494   0.494
   10   2HB   ASN   2          1HB       ASN   2  -4.520  -0.066  -0.066
   11   1HD2  ASN   2          2HD2      ASN   2  -3.544  -3.397  -3.397
   12   2HD2  ASN   2          1HD2      ASN   2  -4.799  -2.256  -2.256
   13    H    TRP   3           H        TRP   3  -1.606  -1.525  -1.525
   14    HA   TRP   3           HA       TRP   3  -2.404  -1.528  -1.528
   15   1HB   TRP   3          2HB       TRP   3  -0.571  -2.937  -2.937
   16   2HB   TRP   3          1HB       TRP   3  -1.630  -4.162  -4.162
   17    HD1  TRP   3           HD1      TRP   3   1.507  -2.865  -2.865
   18    HE1  TRP   3           HE1      TRP   3   2.270  -3.004  -3.004
   19    HE3  TRP   3           HE3      TRP   3  -3.029  -3.386  -3.386
   20    HZ2  TRP   3           HZ2      TRP   3   1.153  -3.309  -3.309
   21    HZ3  TRP   3           HZ3      TRP   3  -3.121  -3.619  -3.619
   22    HH2  TRP   3           HH2      TRP   3  -1.035  -3.586  -3.586
   23    H    ALA   4           H        ALA   4  -3.848  -2.963  -2.963
   24    HA   ALA   4           HA       ALA   4  -5.507  -4.899  -4.899
   25   1HB   ALA   4          3HB       ALA   4  -5.482  -3.868  -3.868
   26   2HB   ALA   4          2HB       ALA   4  -6.717  -4.987  -4.987
   27   3HB   ALA   4          1HB       ALA   4  -5.018  -5.463  -5.463
   28    H    THR   5           H        THR   5  -6.414  -1.989  -1.989
   29    HA   THR   5           HA       THR   5  -9.086  -1.823  -1.823
   30    HB   THR   5           HB       THR   5  -7.331   0.481   0.481
   31    HG1  THR   5           HG1      THR   5  -9.076  -1.179  -1.179
   32   1HG2  THR   5          3HG2      THR   5  -9.444   1.096   1.096
   33   2HG2  THR   5          2HG2      THR   5 -10.334   0.087   0.087
   34   3HG2  THR   5          1HG2      THR   5  -9.471   1.517   1.517
   35    H    PHE   6           H        PHE   6  -5.983  -0.793  -0.793
   36    HA   PHE   6           HA       PHE   6  -7.110   0.779   0.779
   37   1HB   PHE   6          2HB       PHE   6  -4.902   1.295   1.295
   38   2HB   PHE   6          1HB       PHE   6  -4.311  -0.216  -0.216
   39    HD1  PHE   6           HD2      PHE   6  -4.458  -0.568  -0.568
   40    HD2  PHE   6           HD1      PHE   6  -5.031   3.301   3.301
   41    HE1  PHE   6           HE2      PHE   6  -4.051   0.513   0.513
   42    HE2  PHE   6           HE1      PHE   6  -4.622   4.390   4.390
   43    HZ   PHE   6           HZ       PHE   6  -4.139   2.987   2.987
   44    H    GLN   7           H        GLN   7  -6.229  -2.570  -2.570
   45    HA   GLN   7           HA       GLN   7  -5.833  -3.380  -3.380
   46   1HB   GLN   7          2HB       GLN   7  -6.129  -5.620  -5.620
   47   2HB   GLN   7          1HB       GLN   7  -5.505  -4.847  -4.847
   48   1HG   GLN   7          2HG       GLN   7  -7.282  -5.643  -5.643
   49   2HG   GLN   7          1HG       GLN   7  -8.318  -4.597  -4.597
   50   1HE2  GLN   7          2HE2      GLN   7  -8.619  -7.466  -7.466
   51   2HE2  GLN   7          1HE2      GLN   7  -7.873  -5.945  -5.945
   52    H    GLN   8           H        GLN   8  -8.647  -2.529  -2.529
   53    HA   GLN   8           HA       GLN   8 -10.560  -3.386  -3.386
   54   1HB   GLN   8          2HB       GLN   8 -10.707  -2.053  -2.053
   55   2HB   GLN   8          1HB       GLN   8 -12.048  -1.821  -1.821
   56   1HG   GLN   8          2HG       GLN   8 -12.822  -3.778  -3.778
   57   2HG   GLN   8          1HG       GLN   8 -11.638  -4.522  -4.522
   58   1HE2  GLN   8          1HE2      GLN   8 -10.520  -6.102  -6.102
   59   2HE2  GLN   8          2HE2      GLN   8  -9.973  -5.949  -5.949
   60    H    LYS   9           H        LYS   9  -8.965  -0.460  -0.460
   61    HA   LYS   9           HA       LYS   9 -10.269   1.597   1.597
   62   1HB   LYS   9          2HB       LYS   9  -8.394   1.945   1.945
   63   2HB   LYS   9          1HB       LYS   9  -7.260   1.324   1.324
   64   1HG   LYS   9          2HG       LYS   9  -7.127   3.658   3.658
   65   2HG   LYS   9          1HG       LYS   9  -8.229   3.171   3.171
   66   1HD   LYS   9          2HD       LYS   9 -10.032   3.528   3.528
   67   2HD   LYS   9          1HD       LYS   9  -8.802   4.668   4.668
   68   1HE   LYS   9          2HE       LYS   9  -9.777   6.120   6.120
   69   2HE   LYS   9          1HE       LYS   9  -8.932   5.212   5.212
   70   1HZ   LYS   9          2HZ       LYS   9 -10.958   3.684   3.684
   71   2HZ   LYS   9          1HZ       LYS   9 -11.735   4.954   4.954
   72   3HZ   LYS   9          3HZ       LYS   9 -11.138   5.200   5.200
   73    H    HIS  10           H        HIS  10  -7.673  -0.457  -0.457
   74    HA   HIS  10           HA       HIS  10  -8.232   0.610   0.610
   75   1HB   HIS  10          2HB       HIS  10  -5.803  -0.343  -0.343
   76   2HB   HIS  10          1HB       HIS  10  -6.059  -1.159  -1.159
   77    HD1  HIS  10           HD1      HIS  10  -7.286   1.038   1.038
   78    HD2  HIS  10           HD2      HIS  10  -4.022   1.659   1.659
   79    HE1  HIS  10           HE1      HIS  10  -6.067   3.054   3.054
   80    H    ILE  11           H        ILE  11  -8.805  -2.299  -2.299
   81    HA   ILE  11           HA       ILE  11  -9.631  -3.566  -3.566
   82    HB   ILE  11           HB       ILE  11  -8.071  -5.037  -5.037
   83   1HG1  ILE  11          2HG1      ILE  11  -6.401  -4.973  -4.973
   84   2HG1  ILE  11          1HG1      ILE  11  -7.214  -3.444  -3.444
   85   1HG2  ILE  11          1HG2      ILE  11  -9.576  -5.844  -5.844
   86   2HG2  ILE  11          3HG2      ILE  11  -7.878  -6.284  -6.284
   87   3HG2  ILE  11          2HG2      ILE  11  -8.792  -6.849  -6.849
   88   1HD1  ILE  11          3HD1      ILE  11  -6.017  -4.215  -4.215
   89   2HD1  ILE  11          2HD1      ILE  11  -5.147  -3.280  -3.280
   90   3HD1  ILE  11          1HD1      ILE  11  -6.609  -2.627  -2.627
   91    H    ILE  12           H        ILE  12 -11.873  -3.007  -3.007
   92    HA   ILE  12           HA       ILE  12 -12.831  -5.154  -5.154
   93    HB   ILE  12           HB       ILE  12 -15.047  -3.989  -3.989
   94   1HG1  ILE  12          2HG1      ILE  12 -14.062  -1.432  -1.432
   95   2HG1  ILE  12          1HG1      ILE  12 -13.790  -2.662  -2.662
   96   1HG2  ILE  12          2HG2      ILE  12 -13.356  -3.506  -3.506
   97   2HG2  ILE  12          1HG2      ILE  12 -12.839  -2.109  -2.109
   98   3HG2  ILE  12          3HG2      ILE  12 -14.481  -2.184  -2.184
   99   1HD1  ILE  12          3HD1      ILE  12 -16.203  -3.382  -3.382
  100   2HD1  ILE  12          2HD1      ILE  12 -16.408  -1.920  -1.920
  101   3HD1  ILE  12          1HD1      ILE  12 -15.987  -1.796  -1.796
  102    H    ASN  13           H        ASN  13 -11.872  -6.311  -6.311
  103    HA   ASN  13           HA       ASN  13 -13.198  -6.273  -6.273
  104   1HB   ASN  13          2HB       ASN  13 -11.875  -8.398  -8.398
  105   2HB   ASN  13          1HB       ASN  13 -10.933  -6.974  -6.974
  106   1HD2  ASN  13          2HD2      ASN  13  -9.388  -9.131  -9.131
  107   2HD2  ASN  13          1HD2      ASN  13  -9.198  -8.315  -8.315
  108    H    THR  14           H        THR  14 -15.447  -6.538  -6.538
  109    HA   THR  14           HA       THR  14 -16.152  -9.418  -9.418
  110    HB   THR  14           HB       THR  14 -18.293  -8.568  -8.568
  111    HG1  THR  14           HG1      THR  14 -18.514  -6.495  -6.495
  112   1HG2  THR  14          2HG2      THR  14 -16.248  -9.408  -9.408
  113   2HG2  THR  14          1HG2      THR  14 -15.811  -7.716  -7.716
  114   3HG2  THR  14          3HG2      THR  14 -17.319  -8.342  -8.342
  115    HA   PRO  15           HA       PRO  15 -17.854  -8.407  -8.407
  116   1HB   PRO  15          2HB       PRO  15 -18.951 -10.862 -10.862
  117   2HB   PRO  15          1HB       PRO  15 -17.238 -10.462 -10.462
  118   1HG   PRO  15          2HG       PRO  15 -18.538 -12.088 -12.088
  119   2HG   PRO  15          1HG       PRO  15 -16.902 -12.211 -12.211
  120   1HD   PRO  15          2HD       PRO  15 -17.553 -11.033 -11.033
  121   2HD   PRO  15          1HD       PRO  15 -16.038 -10.769 -10.769
  122    H    ILE  16           H        ILE  16 -19.616  -9.033  -9.033
  123    HA   ILE  16           HA       ILE  16 -22.285  -9.336  -9.336
  124    HB   ILE  16           HB       ILE  16 -21.653  -9.717  -9.717
  125   1HG1  ILE  16          2HG1      ILE  16 -23.555  -7.392  -7.392
  126   2HG1  ILE  16          1HG1      ILE  16 -24.005  -8.867  -8.867
  127   1HG2  ILE  16          1HG2      ILE  16 -20.009  -7.886  -7.886
  128   2HG2  ILE  16          3HG2      ILE  16 -21.313  -6.704  -6.704
  129   3HG2  ILE  16          2HG2      ILE  16 -21.218  -7.792  -7.792
  130   1HD1  ILE  16          3HD1      ILE  16 -23.475 -10.161 -10.161
  131   2HD1  ILE  16          2HD1      ILE  16 -23.226  -8.625  -8.625
  132   3HD1  ILE  16          1HD1      ILE  16 -24.819  -9.035  -9.035
  133    H    ILE  17           H        ILE  17 -23.959  -7.610  -7.610
  134    HA   ILE  17           HA       ILE  17 -22.808  -4.993  -4.993
  135    HB   ILE  17           HB       ILE  17 -24.078  -6.233  -6.233
  136   1HG1  ILE  17          2HG1      ILE  17 -26.010  -4.079  -4.079
  137   2HG1  ILE  17          1HG1      ILE  17 -24.318  -3.584  -3.584
  138   1HG2  ILE  17          2HG2      ILE  17 -26.333  -6.048  -6.048
  139   2HG2  ILE  17          1HG2      ILE  17 -26.550  -6.520  -6.520
  140   3HG2  ILE  17          3HG2      ILE  17 -25.578  -7.521  -7.521
  141   1HD1  ILE  17          3HD1      ILE  17 -25.467  -5.243  -5.243
  142   2HD1  ILE  17          2HD1      ILE  17 -25.644  -3.489  -3.489
  143   3HD1  ILE  17          1HD1      ILE  17 -24.037  -4.213  -4.213
  144    H    ASN  18           H        ASN  18 -23.103  -5.576  -5.576
  145    HA   ASN  18           HA       ASN  18 -25.267  -3.644  -3.644
  146   1HB   ASN  18          2HB       ASN  18 -24.349  -6.038  -6.038
  147   2HB   ASN  18          1HB       ASN  18 -25.694  -4.953  -4.953
  148   1HD2  ASN  18          2HD2      ASN  18 -27.915  -7.024  -7.024
  149   2HD2  ASN  18          1HD2      ASN  18 -27.626  -6.026  -6.026
  150    H    CYS  19           H        CYS  19 -23.964  -1.847  -1.847
  151    HA   CYS  19           HA       CYS  19 -21.309  -2.028  -2.028
  152   1HB   CYS  19          2HB       CYS  19 -22.970   0.496   0.496
  153   2HB   CYS  19          1HB       CYS  19 -21.232   0.384   0.384
  154    H    ASN  20           H        ASN  20 -24.505  -1.795  -1.795
  155    HA   ASN  20           HA       ASN  20 -23.603  -0.525  -0.525
  156   1HB   ASN  20          2HB       ASN  20 -25.948  -1.268  -1.268
  157   2HB   ASN  20          1HB       ASN  20 -25.864  -0.043  -0.043
  158   1HD2  ASN  20          2HD2      ASN  20 -27.570  -3.650  -3.650
  159   2HD2  ASN  20          1HD2      ASN  20 -26.879  -3.321  -3.321
  160    H    THR  21           H        THR  21 -24.837  -3.767  -3.767
  161    HA   THR  21           HA       THR  21 -24.351  -5.004  -5.004
  162    HB   THR  21           HB       THR  21 -23.956  -7.088  -7.088
  163    HG1  THR  21           HG1      THR  21 -23.986  -5.533  -5.533
  164   1HG2  THR  21          1HG2      THR  21 -26.284  -5.739  -5.739
  165   2HG2  THR  21          3HG2      THR  21 -26.676  -6.773  -6.773
  166   3HG2  THR  21          2HG2      THR  21 -25.834  -7.444  -7.444
  167    H    ILE  22           H        ILE  22 -22.131  -4.283  -4.283
  168    HA   ILE  22           HA       ILE  22 -19.988  -5.928  -5.928
  169    HB   ILE  22           HB       ILE  22 -18.593  -5.003  -5.003
  170   1HG1  ILE  22          2HG1      ILE  22 -20.996  -3.304  -3.304
  171   2HG1  ILE  22          1HG1      ILE  22 -19.577  -2.678  -2.678
  172   1HG2  ILE  22          3HG2      ILE  22 -21.388  -5.907  -5.907
  173   2HG2  ILE  22          2HG2      ILE  22 -20.184  -5.612  -5.612
  174   3HG2  ILE  22          1HG2      ILE  22 -19.892  -6.841  -6.841
  175   1HD1  ILE  22          1HD1      ILE  22 -18.205  -3.686  -3.686
  176   2HD1  ILE  22          3HD1      ILE  22 -19.740  -3.822  -3.822
  177   3HD1  ILE  22          2HD1      ILE  22 -19.146  -2.239  -2.239
  178    H    MET  23           H        MET  23 -20.865  -2.478  -2.478
  179    HA   MET  23           HA       MET  23 -18.447  -1.859  -1.859
  180   1HB   MET  23          2HB       MET  23 -18.988   0.461   0.461
  181   2HB   MET  23          1HB       MET  23 -19.225  -0.315  -0.315
  182   1HG   MET  23          2HG       MET  23 -21.708  -0.552  -0.552
  183   2HG   MET  23          1HG       MET  23 -21.305   0.659   0.659
  184   1HE   MET  23          2HE       MET  23 -22.609   2.331   2.331
  185   2HE   MET  23          1HE       MET  23 -22.644   3.422   3.422
  186   3HE   MET  23          3HE       MET  23 -23.531   1.892   1.892
  187    H    ASP  24           H        ASP  24 -21.204  -3.299  -3.299
  188    HA   ASP  24           HA       ASP  24 -22.258  -1.742  -1.742
  189   1HB   ASP  24          2HB       ASP  24 -22.285  -4.673  -4.673
  190   2HB   ASP  24          1HB       ASP  24 -22.936  -4.149  -4.149
  191    H    ASN  25           H        ASN  25 -20.467  -0.935  -0.935
  192    HA   ASN  25           HA       ASN  25 -19.295  -2.641  -2.641
  193   1HB   ASN  25          2HB       ASN  25 -18.002  -3.184  -3.184
  194   2HB   ASN  25          1HB       ASN  25 -17.395  -1.550  -1.550
  195   1HD2  ASN  25          2HD2      ASN  25 -14.838  -3.594  -3.594
  196   2HD2  ASN  25          1HD2      ASN  25 -15.433  -3.391  -3.391
  197    H    ASN  26           H        ASN  26 -18.220  -1.351  -1.351
  198    HA   ASN  26           HA       ASN  26 -18.966   1.431   1.431
  199   1HB   ASN  26          2HB       ASN  26 -17.030  -0.298  -0.298
  200   2HB   ASN  26          1HB       ASN  26 -17.169   1.430   1.430
  201   1HD2  ASN  26          2HD2      ASN  26 -20.644   1.099   1.099
  202   2HD2  ASN  26          1HD2      ASN  26 -19.707   2.102   2.102
  203    H    ILE  27           H        ILE  27 -16.411  -0.099  -0.099
  204    HA   ILE  27           HA       ILE  27 -14.571   2.188   2.188
  205    HB   ILE  27           HB       ILE  27 -14.439  -0.116  -0.116
  206   1HG1  ILE  27          2HG1      ILE  27 -13.283  -0.066  -0.066
  207   2HG1  ILE  27          1HG1      ILE  27 -14.723  -0.975  -0.975
  208   1HG2  ILE  27          2HG2      ILE  27 -12.891   2.143   2.143
  209   2HG2  ILE  27          1HG2      ILE  27 -12.008   0.975   0.975
  210   3HG2  ILE  27          3HG2      ILE  27 -12.336   0.631   0.631
  211   1HD1  ILE  27          3HD1      ILE  27 -13.118  -1.900  -1.900
  212   2HD1  ILE  27          2HD1      ILE  27 -11.867  -1.455  -1.455
  213   3HD1  ILE  27          1HD1      ILE  27 -13.117  -2.614  -2.614
  214    H    TYR  28           H        TYR  28 -17.490   2.075   2.075
  215    HA   TYR  28           HA       TYR  28 -16.660   3.820   3.820
  216   1HB   TYR  28          2HB       TYR  28 -18.295   1.290   1.290
  217   2HB   TYR  28          1HB       TYR  28 -18.366   2.589   2.589
  218    HD1  TYR  28           HD2      TYR  28 -15.998   3.516   3.516
  219    HD2  TYR  28           HD1      TYR  28 -16.703  -0.386  -0.386
  220    HE1  TYR  28           HE2      TYR  28 -13.905   2.700   2.700
  221    HE2  TYR  28           HE1      TYR  28 -14.599  -1.198  -1.198
  222    HH   TYR  28           HH       TYR  28 -13.055   0.263   0.263
  223    H    ILE  29           H        ILE  29 -17.701   5.182   5.182
  224    HA   ILE  29           HA       ILE  29 -20.520   5.745   5.745
  225    HB   ILE  29           HB       ILE  29 -19.744   5.286   5.286
  226   1HG1  ILE  29          2HG1      ILE  29 -21.464   3.591   3.591
  227   2HG1  ILE  29          1HG1      ILE  29 -19.842   3.164   3.164
  228   1HG2  ILE  29          2HG2      ILE  29 -22.150   6.329   6.329
  229   2HG2  ILE  29          1HG2      ILE  29 -22.440   5.275   5.275
  230   3HG2  ILE  29          3HG2      ILE  29 -21.515   6.763   6.763
  231   1HD1  ILE  29          1HD1      ILE  29 -21.546   3.875   3.875
  232   2HD1  ILE  29          3HD1      ILE  29 -22.243   2.558   2.558
  233   3HD1  ILE  29          2HD1      ILE  29 -20.619   2.401   2.401
  234    H    VAL  30           H        VAL  30 -21.212   7.808   7.808
  235    HA   VAL  30           HA       VAL  30 -19.032   9.789   9.789
  236    HB   VAL  30           HB       VAL  30 -21.816  10.229  10.229
  237   1HG1  VAL  30          2HG1      VAL  30 -19.394  11.991  11.991
  238   2HG1  VAL  30          1HG1      VAL  30 -20.620  12.365  12.365
  239   3HG1  VAL  30          3HG1      VAL  30 -21.062  12.291  12.291
  240   1HG2  VAL  30          3HG2      VAL  30 -19.104   9.762   9.762
  241   2HG2  VAL  30          2HG2      VAL  30 -20.619   8.924   8.924
  242   3HG2  VAL  30          1HG2      VAL  30 -20.400  10.591  10.591
  243    H    GLY  31           H        GLY  31 -19.890  11.738  11.738
  244   1HA   GLY  31          2HA       GLY  31 -21.282  10.628  10.628
  245   2HA   GLY  31          1HA       GLY  31 -20.438  12.176  12.176
  246    H    GLY  32           H        GLY  32 -23.067  10.716  10.716
  247   1HA   GLY  32          2HA       GLY  32 -25.054  12.625  12.625
  248   2HA   GLY  32          1HA       GLY  32 -24.525  12.936  12.936
  249    H    GLN  33           H        GLN  33 -24.294  10.585  10.585
  250    HA   GLN  33           HA       GLN  33 -26.351   8.627   8.627
  251   1HB   GLN  33          2HB       GLN  33 -27.364  10.899  10.899
  252   2HB   GLN  33          1HB       GLN  33 -27.064   9.874   9.874
  253   1HG   GLN  33          2HG       GLN  33 -28.353   8.599   8.599
  254   2HG   GLN  33          1HG       GLN  33 -29.336   9.714   9.714
  255   1HE2  GLN  33          2HE2      GLN  33 -29.811   7.392   7.392
  256   2HE2  GLN  33          1HE2      GLN  33 -30.299   8.832   8.832
  257    H    CYS  34           H        CYS  34 -25.165   9.968   9.968
  258    HA   CYS  34           HA       CYS  34 -23.512   7.534   7.534
  259   1HB   CYS  34          2HB       CYS  34 -25.749   8.560   8.560
  260   2HB   CYS  34          1HB       CYS  34 -24.430   7.601   7.601
  261    H    LYS  35           H        LYS  35 -22.419   7.999   7.999
  262    HA   LYS  35           HA       LYS  35 -21.295  10.764  10.764
  263   1HB   LYS  35          2HB       LYS  35 -19.932   8.372   8.372
  264   2HB   LYS  35          1HB       LYS  35 -19.816   8.798   8.798
  265   1HG   LYS  35          2HG       LYS  35 -19.316  11.211  11.211
  266   2HG   LYS  35          1HG       LYS  35 -18.491  10.010  10.010
  267   1HD   LYS  35          2HD       LYS  35 -17.465   9.106   9.106
  268   2HD   LYS  35          1HD       LYS  35 -18.105  10.533  10.533
  269   1HE   LYS  35          2HE       LYS  35 -15.770  10.900  10.900
  270   2HE   LYS  35          1HE       LYS  35 -16.865  11.987  11.987
  271   1HZ   LYS  35          2HZ       LYS  35 -16.202   9.381   9.381
  272   2HZ   LYS  35          1HZ       LYS  35 -15.088  10.658  10.658
  273   3HZ   LYS  35          3HZ       LYS  35 -16.647  10.833  10.833
  274    H    ARG  36           H        ARG  36 -20.631  11.702  11.702
  275    HA   ARG  36           HA       ARG  36 -22.847  11.453  11.453
  276   1HB   ARG  36          2HB       ARG  36 -21.723  13.634  13.634
  277   2HB   ARG  36          1HB       ARG  36 -20.315  13.096  13.096
  278   1HG   ARG  36          2HG       ARG  36 -21.626  14.439  14.439
  279   2HG   ARG  36          1HG       ARG  36 -21.874  12.762  12.762
  280   1HD   ARG  36          2HD       ARG  36 -24.003  12.668  12.668
  281   2HD   ARG  36          1HD       ARG  36 -23.729  14.224  14.224
  282    HE   ARG  36           HE       ARG  36 -24.121  15.319  15.319
  283   1HH1  ARG  36          1HH2      ARG  36 -23.314  14.127  14.127
  284   2HH1  ARG  36          2HH2      ARG  36 -24.581  13.087  13.087
  285   1HH2  ARG  36          2HH1      ARG  36 -26.238  13.030  13.030
  286   2HH2  ARG  36          1HH1      ARG  36 -26.239  12.465  12.465
  287    H    VAL  37           H        VAL  37 -19.641  10.113  10.113
  288    HA   VAL  37           HA       VAL  37 -20.058   8.562   8.562
  289    HB   VAL  37           HB       VAL  37 -19.132  10.724  10.724
  290   1HG1  VAL  37          1HG1      VAL  37 -17.661  11.101  11.101
  291   2HG1  VAL  37          3HG1      VAL  37 -16.534   9.965   9.965
  292   3HG1  VAL  37          2HG1      VAL  37 -16.944  11.468  11.468
  293   1HG2  VAL  37          1HG2      VAL  37 -17.756   8.082   8.082
  294   2HG2  VAL  37          3HG2      VAL  37 -18.647   9.006   9.006
  295   3HG2  VAL  37          2HG2      VAL  37 -17.007   9.480   9.480
  296    H    ASN  38           H        ASN  38 -19.515   6.615   6.615
  297    HA   ASN  38           HA       ASN  38 -17.205   6.176   6.176
  298   1HB   ASN  38          2HB       ASN  38 -19.387   4.188   4.188
  299   2HB   ASN  38          1HB       ASN  38 -18.148   3.963   3.963
  300   1HD2  ASN  38          2HD2      ASN  38 -19.828   6.800   6.800
  301   2HD2  ASN  38          1HD2      ASN  38 -18.345   6.713   6.713
  302    H    THR  39           H        THR  39 -15.704   6.532   6.532
  303    HA   THR  39           HA       THR  39 -15.799   4.961   4.961
  304    HB   THR  39           HB       THR  39 -13.520   6.638   6.638
  305    HG1  THR  39           HG1      THR  39 -15.749   7.299   7.299
  306   1HG2  THR  39          3HG2      THR  39 -12.961   5.088   5.088
  307   2HG2  THR  39          2HG2      THR  39 -14.245   5.820   5.820
  308   3HG2  THR  39          1HG2      THR  39 -12.847   6.781   6.781
  309    H    PHE  40           H        PHE  40 -15.240   2.901   2.901
  310    HA   PHE  40           HA       PHE  40 -13.171   1.817   1.817
  311   1HB   PHE  40          2HB       PHE  40 -15.292   0.419   0.419
  312   2HB   PHE  40          1HB       PHE  40 -14.220  -0.360  -0.360
  313    HD1  PHE  40           HD1      PHE  40 -14.166   1.233   1.233
  314    HD2  PHE  40           HD2      PHE  40 -17.464   0.554   0.554
  315    HE1  PHE  40           HE1      PHE  40 -15.757   1.752   1.752
  316    HE2  PHE  40           HE2      PHE  40 -19.053   1.074   1.074
  317    HZ   PHE  40           HZ       PHE  40 -18.199   1.672   1.672
  318    H    ILE  41           H        ILE  41 -11.681   0.083   0.083
  319    HA   ILE  41           HA       ILE  41 -11.281   0.731   0.731
  320    HB   ILE  41           HB       ILE  41  -9.085   0.177   0.177
  321   1HG1  ILE  41          2HG1      ILE  41 -10.169   2.350   2.350
  322   2HG1  ILE  41          1HG1      ILE  41  -8.550   2.580   2.580
  323   1HG2  ILE  41          3HG2      ILE  41  -9.206   0.690   0.690
  324   2HG2  ILE  41          2HG2      ILE  41  -7.824   1.311   1.311
  325   3HG2  ILE  41          1HG2      ILE  41  -8.173  -0.418  -0.418
  326   1HD1  ILE  41          1HD1      ILE  41 -10.016   2.556   2.556
  327   2HD1  ILE  41          3HD1      ILE  41 -11.178   3.264   3.264
  328   3HD1  ILE  41          2HD1      ILE  41  -9.607   4.025   4.025
  329    H    ILE  42           H        ILE  42 -11.439  -1.044  -1.044
  330    HA   ILE  42           HA       ILE  42 -11.199  -3.727  -3.727
  331    HB   ILE  42           HB       ILE  42 -13.375  -3.295  -3.295
  332   1HG1  ILE  42          2HG1      ILE  42 -12.114  -5.230  -5.230
  333   2HG1  ILE  42          1HG1      ILE  42 -11.909  -5.559  -5.559
  334   1HG2  ILE  42          1HG2      ILE  42 -12.344  -1.745  -1.745
  335   2HG2  ILE  42          3HG2      ILE  42 -11.910  -3.215  -3.215
  336   3HG2  ILE  42          2HG2      ILE  42 -13.603  -2.847  -2.847
  337   1HD1  ILE  42          3HD1      ILE  42 -14.650  -4.775  -4.775
  338   2HD1  ILE  42          2HD1      ILE  42 -14.157  -6.169  -6.169
  339   3HD1  ILE  42          1HD1      ILE  42 -14.051  -6.230  -6.230
  340    H    SER  43           H        SER  43  -9.214  -4.515  -4.515
  341    HA   SER  43           HA       SER  43  -8.034  -5.227  -5.227
  342   1HB   SER  43          2HB       SER  43  -7.661  -2.794  -2.794
  343   2HB   SER  43          1HB       SER  43  -6.833  -2.740  -2.740
  344    HG   SER  43           HG       SER  43  -5.412  -2.937  -2.937
  345    H    SER  44           H        SER  44  -5.909  -6.253  -6.253
  346    HA   SER  44           HA       SER  44  -5.680  -7.711  -7.711
  347   1HB   SER  44          2HB       SER  44  -3.117  -7.819  -7.819
  348   2HB   SER  44          1HB       SER  44  -4.428  -8.801  -8.801
  349    HG   SER  44           HG       SER  44  -4.262  -7.771  -7.771
  350    H    ALA  45           H        ALA  45  -5.200  -7.065  -7.065
  351    HA   ALA  45           HA       ALA  45  -4.590  -4.562  -4.562
  352   1HB   ALA  45          1HB       ALA  45  -3.974  -7.286  -7.286
  353   2HB   ALA  45          3HB       ALA  45  -3.540  -5.829  -5.829
  354   3HB   ALA  45          2HB       ALA  45  -5.228  -6.150  -6.150
  355    H    THR  46           H        THR  46  -2.041  -7.073  -7.073
  356    HA   THR  46           HA       THR  46   0.089  -5.327  -5.327
  357    HB   THR  46           HB       THR  46   0.353  -7.717  -7.717
  358    HG1  THR  46           HG1      THR  46   2.042  -6.703  -6.703
  359   1HG2  THR  46          1HG2      THR  46  -0.416  -7.534  -7.534
  360   2HG2  THR  46          3HG2      THR  46   0.796  -8.748  -8.748
  361   3HG2  THR  46          2HG2      THR  46  -0.787  -8.789  -8.789
  362    H    THR  47           H        THR  47  -1.530  -5.752  -5.752
  363    HA   THR  47           HA       THR  47   0.516  -4.682  -4.682
  364    HB   THR  47           HB       THR  47  -2.424  -4.217  -4.217
  365    HG1  THR  47           HG1      THR  47  -0.985  -6.631  -6.631
  366   1HG2  THR  47          3HG2      THR  47   0.050  -4.738  -4.738
  367   2HG2  THR  47          2HG2      THR  47  -1.571  -4.906  -4.906
  368   3HG2  THR  47          1HG2      THR  47  -1.030  -3.344  -3.344
  369    H    VAL  48           H        VAL  48  -1.993  -3.265  -3.265
  370    HA   VAL  48           HA       VAL  48  -1.505  -0.506  -0.506
  371    HB   VAL  48           HB       VAL  48  -2.643  -1.620  -1.620
  372   1HG1  VAL  48          2HG1      VAL  48  -1.983   1.046   1.046
  373   2HG1  VAL  48          1HG1      VAL  48  -3.740   0.912   0.912
  374   3HG1  VAL  48          3HG1      VAL  48  -2.758   0.519   0.519
  375   1HG2  VAL  48          1HG2      VAL  48  -3.827  -1.093  -1.093
  376   2HG2  VAL  48          3HG2      VAL  48  -4.147  -2.416  -2.416
  377   3HG2  VAL  48          2HG2      VAL  48  -4.819  -0.816  -0.816
  378    H    LYS  49           H        LYS  49  -0.241  -2.784  -2.784
  379    HA   LYS  49           HA       LYS  49   1.340  -0.983  -0.983
  380   1HB   LYS  49          2HB       LYS  49   0.742  -3.414  -3.414
  381   2HB   LYS  49          1HB       LYS  49   2.043  -3.872  -3.872
  382   1HG   LYS  49          2HG       LYS  49   3.580  -2.380  -2.380
  383   2HG   LYS  49          1HG       LYS  49   2.274  -2.214  -2.214
  384   1HD   LYS  49          2HD       LYS  49   3.193  -4.064  -4.064
  385   2HD   LYS  49          1HD       LYS  49   2.347  -4.934  -4.934
  386   1HE   LYS  49          2HE       LYS  49   4.411  -4.618  -4.618
  387   2HE   LYS  49          1HE       LYS  49   5.234  -4.016  -4.016
  388   1HZ   LYS  49          2HZ       LYS  49   3.823  -6.604  -6.604
  389   2HZ   LYS  49          1HZ       LYS  49   5.402  -6.497  -6.497
  390   3HZ   LYS  49          3HZ       LYS  49   5.090  -6.059  -6.059
  391    H    ALA  50           H        ALA  50   1.763  -2.303  -2.303
  392    HA   ALA  50           HA       ALA  50   4.657  -1.882  -1.882
  393   1HB   ALA  50          3HB       ALA  50   2.694  -3.209  -3.209
  394   2HB   ALA  50          2HB       ALA  50   3.590  -2.070  -2.070
  395   3HB   ALA  50          1HB       ALA  50   4.451  -3.307  -3.307
  396    H    ILE  51           H        ILE  51   1.734  -0.140  -0.140
  397    HA   ILE  51           HA       ILE  51   3.154   1.891   1.891
  398    HB   ILE  51           HB       ILE  51   0.734   1.412   1.412
  399   1HG1  ILE  51          2HG1      ILE  51   0.086   4.001   4.001
  400   2HG1  ILE  51          1HG1      ILE  51   1.835   4.121   4.121
  401   1HG2  ILE  51          2HG2      ILE  51   0.684   2.119   2.119
  402   2HG2  ILE  51          1HG2      ILE  51  -0.567   2.911   2.911
  403   3HG2  ILE  51          3HG2      ILE  51  -0.447   1.154   1.154
  404   1HD1  ILE  51          3HD1      ILE  51   0.833   2.466   2.466
  405   2HD1  ILE  51          2HD1      ILE  51   0.587   4.206   4.206
  406   3HD1  ILE  51          1HD1      ILE  51   2.215   3.559   3.559
  407    H    CYS  52           H        CYS  52   2.530   1.454   1.454
  408    HA   CYS  52           HA       CYS  52   3.376   4.228   4.228
  409   1HB   CYS  52          2HB       CYS  52   1.441   2.617   2.617
  410   2HB   CYS  52          1HB       CYS  52   2.778   2.461   2.461
  411    H    THR  53           H        THR  53   5.151   1.901   1.901
  412    HA   THR  53           HA       THR  53   6.904   1.424   1.424
  413    HB   THR  53           HB       THR  53   7.389   0.654   0.654
  414    HG1  THR  53           HG1      THR  53   6.508  -1.381  -1.381
  415   1HG2  THR  53          1HG2      THR  53   8.546  -0.130  -0.130
  416   2HG2  THR  53          3HG2      THR  53   8.627  -1.234  -1.234
  417   3HG2  THR  53          2HG2      THR  53   9.389   0.354   0.354
  418    H    GLY  54           H        GLY  54   8.325   2.990   2.990
  419   1HA   GLY  54          2HA       GLY  54  10.136   4.156   4.156
  420   2HA   GLY  54          1HA       GLY  54   9.014   5.331   5.331
  421    H    VAL  55           H        VAL  55   8.869   5.013   5.013
  422    HA   VAL  55           HA       VAL  55  11.330   4.201   4.201
  423    HB   VAL  55           HB       VAL  55  11.756   6.474   6.474
  424   1HG1  VAL  55          1HG1      VAL  55   9.523   7.385   7.385
  425   2HG1  VAL  55          3HG1      VAL  55  10.518   7.705   7.705
  426   3HG1  VAL  55          2HG1      VAL  55  10.924   8.445   8.445
  427   1HG2  VAL  55          2HG2      VAL  55  12.780   5.317   5.317
  428   2HG2  VAL  55          1HG2      VAL  55  13.509   6.628   6.628
  429   3HG2  VAL  55          3HG2      VAL  55  12.481   6.994   6.994
  430    H    ILE  56           H        ILE  56  10.989   5.670   5.670
  431    HA   ILE  56           HA       ILE  56   8.459   4.471   4.471
  432    HB   ILE  56           HB       ILE  56   9.351   5.049   5.049
  433   1HG1  ILE  56          2HG1      ILE  56  11.997   5.724   5.724
  434   2HG1  ILE  56          1HG1      ILE  56  10.765   6.984   6.984
  435   1HG2  ILE  56          3HG2      ILE  56  10.019   2.985   2.985
  436   2HG2  ILE  56          2HG2      ILE  56  11.613   3.731   3.731
  437   3HG2  ILE  56          1HG2      ILE  56  10.764   3.227   3.227
  438   1HD1  ILE  56          1HD1      ILE  56  10.429   6.170   6.170
  439   2HD1  ILE  56          3HD1      ILE  56  12.152   5.843   5.843
  440   3HD1  ILE  56          2HD1      ILE  56  11.526   7.470   7.470
  441    H    ASN  57           H        ASN  57   8.415   6.927   6.927
  442    HA   ASN  57           HA       ASN  57   6.328   8.431   8.431
  443   1HB   ASN  57          2HB       ASN  57   8.427   9.093   9.093
  444   2HB   ASN  57          1HB       ASN  57   8.870  10.042  10.042
  445   1HD2  ASN  57          2HD2      ASN  57   5.888  11.332  11.332
  446   2HD2  ASN  57          1HD2      ASN  57   6.742   9.902   9.902
  447    H    MET  58           H        MET  58   5.370   9.085   9.085
  448    HA   MET  58           HA       MET  58   6.904  10.614  10.614
  449   1HB   MET  58          2HB       MET  58   7.216   7.949   7.949
  450   2HB   MET  58          1HB       MET  58   5.750   8.152   8.152
  451   1HG   MET  58          2HG       MET  58   6.928   9.013   9.013
  452   2HG   MET  58          1HG       MET  58   7.624  10.247  10.247
  453   1HE   MET  58          3HE       MET  58   9.400   9.897   9.897
  454   2HE   MET  58          2HE       MET  58  10.124  10.447  10.447
  455   3HE   MET  58          1HE       MET  58  10.924   9.196   9.196
  456    H    ASN  59           H        ASN  59   5.576  10.811  10.811
  457    HA   ASN  59           HA       ASN  59   2.627  10.835  10.835
  458   1HB   ASN  59          2HB       ASN  59   2.643  13.143  13.143
  459   2HB   ASN  59          1HB       ASN  59   3.189  13.117  13.117
  460   1HD2  ASN  59          2HD2      ASN  59   5.792  14.145  14.145
  461   2HD2  ASN  59          1HD2      ASN  59   4.198  13.685  13.685
  462    H    VAL  60           H        VAL  60   1.994   9.490   9.490
  463    HA   VAL  60           HA       VAL  60   3.313   9.916   9.916
  464    HB   VAL  60           HB       VAL  60   4.210   7.895   7.895
  465   1HG1  VAL  60          3HG1      VAL  60   2.251   7.440   7.440
  466   2HG1  VAL  60          2HG1      VAL  60   1.330   6.947   6.947
  467   3HG1  VAL  60          1HG1      VAL  60   2.736   6.012   6.012
  468   1HG2  VAL  60          2HG2      VAL  60   3.691   8.000   8.000
  469   2HG2  VAL  60          1HG2      VAL  60   3.895   6.392   6.392
  470   3HG2  VAL  60          3HG2      VAL  60   2.277   7.011   7.011
  471    H    LEU  61           H        LEU  61   1.985   9.082   9.082
  472    HA   LEU  61           HA       LEU  61  -0.937   9.384   9.384
  473   1HB   LEU  61          2HB       LEU  61   0.376  11.168  11.168
  474   2HB   LEU  61          1HB       LEU  61   0.310   9.954   9.954
  475    HG   LEU  61           HG       LEU  61  -2.223   9.825   9.825
  476   1HD1  LEU  61          2HD1      LEU  61  -1.571  11.478  11.478
  477   2HD1  LEU  61          1HD1      LEU  61  -2.004  12.671  12.671
  478   3HD1  LEU  61          3HD1      LEU  61  -3.173  11.445  11.445
  479   1HD2  LEU  61          1HD2      LEU  61  -0.858  11.061  11.061
  480   2HD2  LEU  61          3HD2      LEU  61  -2.605  11.251  11.251
  481   3HD2  LEU  61          2HD2      LEU  61  -1.521  12.493  12.493
  482    H    SER  62           H        SER  62  -1.948   7.441   7.441
  483    HA   SER  62           HA       SER  62  -0.903   5.133   5.133
  484   1HB   SER  62          2HB       SER  62  -3.854   5.669   5.669
  485   2HB   SER  62          1HB       SER  62  -3.007   4.124   4.124
  486    HG   SER  62           HG       SER  62  -3.149   6.179   6.179
  487    H    THR  63           H        THR  63  -0.217   5.712   5.712
  488    HA   THR  63           HA       THR  63  -2.046   7.008   7.008
  489    HB   THR  63           HB       THR  63  -0.053   6.356   6.356
  490    HG1  THR  63           HG1      THR  63   1.346   6.305   6.305
  491   1HG2  THR  63          1HG2      THR  63  -0.700   8.588   8.588
  492   2HG2  THR  63          3HG2      THR  63   0.934   8.260   8.260
  493   3HG2  THR  63          2HG2      THR  63   0.639   8.499   8.499
  494    H    THR  64           H        THR  64  -1.717   5.722   5.722
  495    HA   THR  64           HA       THR  64  -2.518   3.958   3.958
  496    HB   THR  64           HB       THR  64  -1.670   2.332   2.332
  497    HG1  THR  64           HG1      THR  64  -0.378   2.919   2.919
  498   1HG2  THR  64          3HG2      THR  64  -3.297   1.259   1.259
  499   2HG2  THR  64          2HG2      THR  64  -1.993   1.367   1.367
  500   3HG2  THR  64          1HG2      THR  64  -1.787   0.403   0.403
  501    H    ARG  65           H        ARG  65  -3.609   2.037   2.037
  502    HA   ARG  65           HA       ARG  65  -6.085   3.318   3.318
  503   1HB   ARG  65          2HB       ARG  65  -7.643   1.962   1.962
  504   2HB   ARG  65          1HB       ARG  65  -6.581   2.917   2.917
  505   1HG   ARG  65          2HG       ARG  65  -5.097   0.686   0.686
  506   2HG   ARG  65          1HG       ARG  65  -6.685  -0.031  -0.031
  507   1HD   ARG  65          2HD       ARG  65  -7.461   1.226   1.226
  508   2HD   ARG  65          1HD       ARG  65  -5.779   1.671   1.671
  509    HE   ARG  65           HE       ARG  65  -5.805  -1.128  -1.128
  510   1HH1  ARG  65          2HH1      ARG  65  -8.415  -1.064  -1.064
  511   2HH1  ARG  65          1HH1      ARG  65  -7.971  -1.044  -1.044
  512   1HH2  ARG  65          1HH2      ARG  65  -4.695  -0.090  -0.090
  513   2HH2  ARG  65          2HH2      ARG  65  -5.865  -0.492  -0.492
  514    H    PHE  66           H        PHE  66  -6.143   2.526   2.526
  515    HA   PHE  66           HA       PHE  66  -5.718  -0.404  -0.404
  516   1HB   PHE  66          2HB       PHE  66  -5.820   2.011   2.011
  517   2HB   PHE  66          1HB       PHE  66  -5.948   0.373   0.373
  518    HD1  PHE  66           HD2      PHE  66  -4.045  -1.226  -1.226
  519    HD2  PHE  66           HD1      PHE  66  -3.725   2.844   2.844
  520    HE1  PHE  66           HE2      PHE  66  -1.587  -1.465  -1.465
  521    HE2  PHE  66           HE1      PHE  66  -1.268   2.587   2.587
  522    HZ   PHE  66           HZ       PHE  66  -0.201   0.435   0.435
  523    H    GLN  67           H        GLN  67  -8.022   0.230   0.230
  524    HA   GLN  67           HA       GLN  67 -10.414   0.419   0.419
  525   1HB   GLN  67          2HB       GLN  67  -9.502  -2.224  -2.224
  526   2HB   GLN  67          1HB       GLN  67 -11.197  -1.902  -1.902
  527   1HG   GLN  67          2HG       GLN  67  -9.792  -0.989  -0.989
  528   2HG   GLN  67          1HG       GLN  67  -8.998  -2.501  -2.501
  529   1HE2  GLN  67          2HE2      GLN  67 -12.258  -2.901  -2.901
  530   2HE2  GLN  67          1HE2      GLN  67 -11.108  -1.658  -1.658
  531    H    LEU  68           H        LEU  68 -11.493   1.873   1.873
  532    HA   LEU  68           HA       LEU  68 -11.615   1.199   1.199
  533   1HB   LEU  68          2HB       LEU  68 -12.828   3.492   3.492
  534   2HB   LEU  68          1HB       LEU  68 -11.095   3.463   3.463
  535    HG   LEU  68           HG       LEU  68 -11.370   3.938   3.938
  536   1HD1  LEU  68          1HD1      LEU  68 -14.277   3.380   3.380
  537   2HD1  LEU  68          3HD1      LEU  68 -13.812   4.400   4.400
  538   3HD1  LEU  68          2HD1      LEU  68 -13.266   2.726   2.726
  539   1HD2  LEU  68          2HD2      LEU  68 -11.653   5.793   5.793
  540   2HD2  LEU  68          1HD2      LEU  68 -12.317   6.141   6.141
  541   3HD2  LEU  68          3HD2      LEU  68 -13.386   5.662   5.662
  542    H    ASN  69           H        ASN  69 -13.544   1.146   1.146
  543    HA   ASN  69           HA       ASN  69 -16.029   0.585   0.585
  544   1HB   ASN  69          2HB       ASN  69 -14.848  -1.342  -1.342
  545   2HB   ASN  69          1HB       ASN  69 -15.612  -0.520  -0.520
  546   1HD2  ASN  69          2HD2      ASN  69 -18.640  -2.164  -2.164
  547   2HD2  ASN  69          1HD2      ASN  69 -17.509  -1.622  -1.622
  548    H    THR  70           H        THR  70 -16.929   2.672   2.672
  549    HA   THR  70           HA       THR  70 -16.873   3.963   3.963
  550    HB   THR  70           HB       THR  70 -17.920   5.118   5.118
  551    HG1  THR  70           HG1      THR  70 -15.334   5.259   5.259
  552   1HG2  THR  70          2HG2      THR  70 -18.270   6.037   6.037
  553   2HG2  THR  70          1HG2      THR  70 -16.677   6.720   6.720
  554   3HG2  THR  70          3HG2      THR  70 -18.035   7.113   7.113
  555    H    CYS  71           H        CYS  71 -18.500   3.864   3.864
  556    HA   CYS  71           HA       CYS  71 -21.280   3.363   3.363
  557   1HB   CYS  71          2HB       CYS  71 -20.154   2.896   2.896
  558   2HB   CYS  71          1HB       CYS  71 -21.804   2.558   2.558
  559    H    THR  72           H        THR  72 -22.147   5.399   5.399
  560    HA   THR  72           HA       THR  72 -21.300   7.479   7.479
  561    HB   THR  72           HB       THR  72 -22.865   8.004   8.004
  562    HG1  THR  72           HG1      THR  72 -20.083   7.599   7.599
  563   1HG2  THR  72          3HG2      THR  72 -21.027   9.592   9.592
  564   2HG2  THR  72          2HG2      THR  72 -21.443  10.131  10.131
  565   3HG2  THR  72          1HG2      THR  72 -22.709   9.929   9.929
  566    H    ARG  73           H        ARG  73 -22.761   8.651   8.651
  567    HA   ARG  73           HA       ARG  73 -25.301   7.424   7.424
  568   1HB   ARG  73          2HB       ARG  73 -23.741   8.831   8.831
  569   2HB   ARG  73          1HB       ARG  73 -24.533  10.225  10.225
  570   1HG   ARG  73          2HG       ARG  73 -26.644   8.498   8.498
  571   2HG   ARG  73          1HG       ARG  73 -25.538   8.389   8.389
  572   1HD   ARG  73          2HD       ARG  73 -25.468  10.966  10.966
  573   2HD   ARG  73          1HD       ARG  73 -26.887  10.848  10.848
  574    HE   ARG  73           HE       ARG  73 -27.527   9.277   9.277
  575   1HH1  ARG  73          1HH2      ARG  73 -25.912  10.960  10.960
  576   2HH1  ARG  73          2HH2      ARG  73 -26.961  12.287  12.287
  577   1HH2  ARG  73          2HH1      ARG  73 -29.137  11.651  11.651
  578   2HH2  ARG  73          1HH1      ARG  73 -28.787  12.678  12.678
  579    H    THR  74           H        THR  74 -27.353   8.011   8.011
  580    HA   THR  74           HA       THR  74 -27.595  10.404  10.404
  581    HB   THR  74           HB       THR  74 -29.393   8.816   8.816
  582    HG1  THR  74           HG1      THR  74 -28.367   6.713   6.713
  583   1HG2  THR  74          2HG2      THR  74 -26.507   9.337   9.337
  584   2HG2  THR  74          1HG2      THR  74 -27.200   8.022   8.022
  585   3HG2  THR  74          3HG2      THR  74 -27.880   9.644   9.644
  586    H    SER  75           H        SER  75 -30.203   8.079   8.079
  587    HA   SER  75           HA       SER  75 -31.321   9.471   9.471
  588   1HB   SER  75          2HB       SER  75 -31.889  10.559  10.559
  589   2HB   SER  75          1HB       SER  75 -33.366  10.050  10.050
  590    HG   SER  75           HG       SER  75 -33.019  12.050  12.050
  591    H    ILE  76           H        ILE  76 -33.071   8.328   8.328
  592    HA   ILE  76           HA       ILE  76 -34.711   6.494   6.494
  593    HB   ILE  76           HB       ILE  76 -32.576   5.228   5.228
  594   1HG1  ILE  76          2HG1      ILE  76 -34.143   3.568   3.568
  595   2HG1  ILE  76          1HG1      ILE  76 -35.079   4.283   4.283
  596   1HG2  ILE  76          3HG2      ILE  76 -31.698   6.088   6.088
  597   2HG2  ILE  76          2HG2      ILE  76 -32.836   5.013   5.013
  598   3HG2  ILE  76          1HG2      ILE  76 -31.554   4.342   4.342
  599   1HD1  ILE  76          1HD1      ILE  76 -32.914   3.440   3.440
  600   2HD1  ILE  76          3HD1      ILE  76 -32.940   2.229   2.229
  601   3HD1  ILE  76          2HD1      ILE  76 -34.349   2.445   2.445
  602    H    THR  77           H        THR  77 -36.335   5.548   5.548
  603    HA   THR  77           HA       THR  77 -36.813   7.084   7.084
  604    HB   THR  77           HB       THR  77 -38.724   4.943   4.943
  605    HG1  THR  77           HG1      THR  77 -38.193   6.417   6.417
  606   1HG2  THR  77          1HG2      THR  77 -39.075   7.213   7.213
  607   2HG2  THR  77          3HG2      THR  77 -38.961   7.889   7.889
  608   3HG2  THR  77          2HG2      THR  77 -40.280   6.790   6.790
  609    HA   PRO  78           HA       PRO  78 -36.641   2.854   2.854
  610   1HB   PRO  78          2HB       PRO  78 -35.703   0.678   0.678
  611   2HB   PRO  78          1HB       PRO  78 -37.417   1.105   1.105
  612   1HG   PRO  78          2HG       PRO  78 -35.566   1.501   1.501
  613   2HG   PRO  78          1HG       PRO  78 -37.312   1.195   1.195
  614   1HD   PRO  78          2HD       PRO  78 -36.161   3.700   3.700
  615   2HD   PRO  78          1HD       PRO  78 -37.826   3.440   3.440
  616    H    ARG  79           H        ARG  79 -34.774   1.267   1.267
  617    HA   ARG  79           HA       ARG  79 -32.235   2.808   2.808
  618   1HB   ARG  79          2HB       ARG  79 -33.614   1.091   1.091
  619   2HB   ARG  79          1HB       ARG  79 -31.879   0.806   0.806
  620   1HG   ARG  79          2HG       ARG  79 -31.863   2.553   2.553
  621   2HG   ARG  79          1HG       ARG  79 -31.842   3.488   3.488
  622   1HD   ARG  79          2HD       ARG  79 -33.869   4.370   4.370
  623   2HD   ARG  79          1HD       ARG  79 -34.566   2.776   2.776
  624    HE   ARG  79           HE       ARG  79 -33.434   4.567   4.567
  625   1HH1  ARG  79          2HH1      ARG  79 -35.914   2.500   2.500
  626   2HH1  ARG  79          1HH1      ARG  79 -35.754   1.564   1.564
  627   1HH2  ARG  79          1HH2      ARG  79 -32.684   2.932   2.932
  628   2HH2  ARG  79          2HH2      ARG  79 -33.923   1.808   1.808
  629    HA   PRO  80           HA       PRO  80 -30.247   1.750   1.750
  630   1HB   PRO  80          2HB       PRO  80 -27.658   1.695   1.695
  631   2HB   PRO  80          1HB       PRO  80 -28.387   0.407   0.407
  632   1HG   PRO  80          2HG       PRO  80 -27.755   0.435   0.435
  633   2HG   PRO  80          1HG       PRO  80 -27.891  -0.941  -0.941
  634   1HD   PRO  80          2HD       PRO  80 -29.844  -0.125  -0.125
  635   2HD   PRO  80          1HD       PRO  80 -30.088  -1.276  -1.276
  636    H    CYS  81           H        CYS  81 -28.328   2.335   2.335
  637    HA   CYS  81           HA       CYS  81 -29.441   5.083   5.083
  638   1HB   CYS  81          2HB       CYS  81 -26.648   4.247   4.247
  639   2HB   CYS  81          1HB       CYS  81 -26.843   5.503   5.503
  640    HA   PRO  82           HA       PRO  82 -29.552   4.119   4.119
  641   1HB   PRO  82          2HB       PRO  82 -29.365   6.610   6.610
  642   2HB   PRO  82          1HB       PRO  82 -30.827   6.013   6.013
  643   1HG   PRO  82          2HG       PRO  82 -28.825   7.988   7.988
  644   2HG   PRO  82          1HG       PRO  82 -30.552   7.860   7.860
  645   1HD   PRO  82          2HD       PRO  82 -28.458   7.010   7.010
  646   2HD   PRO  82          1HD       PRO  82 -30.168   6.542   6.542
  647    H    TYR  83           H        TYR  83 -27.850   3.240   3.240
  648    HA   TYR  83           HA       TYR  83 -25.523   4.986   4.986
  649   1HB   TYR  83          2HB       TYR  83 -25.349   2.436   2.436
  650   2HB   TYR  83          1HB       TYR  83 -24.069   2.819   2.819
  651    HD1  TYR  83           HD2      TYR  83 -26.019   4.312   4.312
  652    HD2  TYR  83           HD1      TYR  83 -22.368   4.296   4.296
  653    HE1  TYR  83           HE2      TYR  83 -25.029   5.940   5.940
  654    HE2  TYR  83           HE1      TYR  83 -21.387   5.929   5.929
  655    HH   TYR  83           HH       TYR  83 -22.521   6.517   6.517
  656    H    SER  84           H        SER  84 -24.897   4.799   4.799
  657    HA   SER  84           HA       SER  84 -25.920   2.477   2.477
  658   1HB   SER  84          2HB       SER  84 -24.872   5.038   5.038
  659   2HB   SER  84          1HB       SER  84 -26.042   3.898   3.898
  660    HG   SER  84           HG       SER  84 -27.588   4.846   4.846
  661    H    SER  85           H        SER  85 -24.366   1.073   1.073
  662    HA   SER  85           HA       SER  85 -21.523   1.801   1.801
  663   1HB   SER  85          2HB       SER  85 -21.106  -0.611  -0.611
  664   2HB   SER  85          1HB       SER  85 -22.354  -0.325  -0.325
  665    HG   SER  85           HG       SER  85 -22.599  -1.242  -1.242
  666    H    ARG  86           H        ARG  86 -20.031   1.873   1.873
  667    HA   ARG  86           HA       ARG  86 -20.738   1.057   1.057
  668   1HB   ARG  86          2HB       ARG  86 -21.344   3.596   3.596
  669   2HB   ARG  86          1HB       ARG  86 -19.620   3.818   3.818
  670   1HG   ARG  86          2HG       ARG  86 -20.356   2.205   2.205
  671   2HG   ARG  86          1HG       ARG  86 -21.789   3.209   3.209
  672   1HD   ARG  86          2HD       ARG  86 -20.737   5.060   5.060
  673   2HD   ARG  86          1HD       ARG  86 -19.277   4.727   4.727
  674    HE   ARG  86           HE       ARG  86 -18.846   2.965   2.965
  675   1HH1  ARG  86          2HH1      ARG  86 -20.772   3.325   3.325
  676   2HH1  ARG  86          1HH1      ARG  86 -20.258   4.681   4.681
  677   1HH2  ARG  86          1HH2      ARG  86 -18.051   5.856   5.856
  678   2HH2  ARG  86          2HH2      ARG  86 -18.715   6.113   6.113
  679    H    THR  87           H        THR  87 -18.844   0.749   0.749
  680    HA   THR  87           HA       THR  87 -16.267   0.828   0.828
  681    HB   THR  87           HB       THR  87 -15.664  -1.040  -1.040
  682    HG1  THR  87           HG1      THR  87 -18.480  -1.287  -1.287
  683   1HG2  THR  87          1HG2      THR  87 -16.070  -1.182  -1.182
  684   2HG2  THR  87          3HG2      THR  87 -17.657  -1.816  -1.816
  685   3HG2  THR  87          2HG2      THR  87 -16.200  -2.669  -2.669
  686    H    GLU  88           H        GLU  88 -14.386   1.517   1.517
  687    HA   GLU  88           HA       GLU  88 -14.397   2.197   2.197
  688   1HB   GLU  88          2HB       GLU  88 -15.558   4.109   4.109
  689   2HB   GLU  88          1HB       GLU  88 -13.966   4.742   4.742
  690   1HG   GLU  88          2HG       GLU  88 -15.347   3.612   3.612
  691   2HG   GLU  88          1HG       GLU  88 -16.251   4.926   4.926
  692    H    THR  89           H        THR  89 -12.453   4.010   4.010
  693    HA   THR  89           HA       THR  89 -10.035   2.615   2.615
  694    HB   THR  89           HB       THR  89 -10.368   5.503   5.503
  695    HG1  THR  89           HG1      THR  89 -10.056   4.530   4.530
  696   1HG2  THR  89          2HG2      THR  89  -8.082   4.086   4.086
  697   2HG2  THR  89          1HG2      THR  89  -8.064   4.003   4.003
  698   3HG2  THR  89          3HG2      THR  89  -8.121   5.568   5.568
  699    H    ASN  90           H        ASN  90  -8.624   2.960   2.960
  700    HA   ASN  90           HA       ASN  90  -9.539   4.963   4.963
  701   1HB   ASN  90          2HB       ASN  90  -9.402   2.481   2.481
  702   2HB   ASN  90          1HB       ASN  90  -7.658   2.697   2.697
  703   1HD2  ASN  90          2HD2      ASN  90  -7.970   3.669   3.669
  704   2HD2  ASN  90          1HD2      ASN  90  -7.385   2.500   2.500
  705    H    TYR  91           H        TYR  91  -8.514   6.748   6.748
  706    HA   TYR  91           HA       TYR  91  -5.523   6.766   6.766
  707   1HB   TYR  91          2HB       TYR  91  -5.842   9.081   9.081
  708   2HB   TYR  91          1HB       TYR  91  -6.071   7.645   7.645
  709    HD1  TYR  91           HD1      TYR  91  -8.383   6.843   6.843
  710    HD2  TYR  91           HD2      TYR  91  -7.655  10.585  10.585
  711    HE1  TYR  91           HE1      TYR  91 -10.682   7.577   7.577
  712    HE2  TYR  91           HE2      TYR  91  -9.959  11.324  11.324
  713    HH   TYR  91           HH       TYR  91 -12.362   9.403   9.403
  714    H    ILE  92           H        ILE  92  -5.095   7.241   7.241
  715    HA   ILE  92           HA       ILE  92  -6.514   9.594   9.594
  716    HB   ILE  92           HB       ILE  92  -6.560   8.212   8.212
  717   1HG1  ILE  92          2HG1      ILE  92  -6.618   5.861   5.861
  718   2HG1  ILE  92          1HG1      ILE  92  -5.082   6.407   6.407
  719   1HG2  ILE  92          1HG2      ILE  92  -8.306   7.441   7.441
  720   2HG2  ILE  92          3HG2      ILE  92  -8.713   7.196   7.196
  721   3HG2  ILE  92          2HG2      ILE  92  -8.560   8.830   8.830
  722   1HD1  ILE  92          3HD1      ILE  92  -7.530   5.706   5.706
  723   2HD1  ILE  92          2HD1      ILE  92  -6.146   4.639   4.639
  724   3HD1  ILE  92          1HD1      ILE  92  -5.943   6.161   6.161
  725    H    CYS  93           H        CYS  93  -5.509   9.863   9.863
  726    HA   CYS  93           HA       CYS  93  -2.521   9.939   9.939
  727   1HB   CYS  93          2HB       CYS  93  -3.712  12.161  12.161
  728   2HB   CYS  93          1HB       CYS  93  -4.251  11.966  11.966
  729    H    VAL  94           H        VAL  94  -1.622   8.598   8.598
  730    HA   VAL  94           HA       VAL  94  -2.948   8.250   8.250
  731    HB   VAL  94           HB       VAL  94  -2.879   6.237   6.237
  732   1HG1  VAL  94          2HG1      VAL  94  -0.500   6.886   6.886
  733   2HG1  VAL  94          1HG1      VAL  94   0.047   6.070   6.070
  734   3HG1  VAL  94          3HG1      VAL  94  -0.861   5.177   5.177
  735   1HG2  VAL  94          1HG2      VAL  94  -2.795   6.301   6.301
  736   2HG2  VAL  94          3HG2      VAL  94  -2.591   4.774   4.774
  737   3HG2  VAL  94          2HG2      VAL  94  -1.180   5.636   5.636
  738    H    LYS  95           H        LYS  95  -1.277   7.587   7.587
  739    HA   LYS  95           HA       LYS  95   1.264   9.057   9.057
  740   1HB   LYS  95          2HB       LYS  95  -0.590   9.085   9.085
  741   2HB   LYS  95          1HB       LYS  95   1.099   9.576   9.576
  742   1HG   LYS  95          2HG       LYS  95   0.530  11.066  11.066
  743   2HG   LYS  95          1HG       LYS  95  -1.129  10.879  10.879
  744   1HD   LYS  95          2HD       LYS  95  -0.767  12.119  12.119
  745   2HD   LYS  95          1HD       LYS  95   0.906  11.585  11.585
  746   1HE   LYS  95          2HE       LYS  95   1.440  12.996  12.996
  747   2HE   LYS  95          1HE       LYS  95  -0.186  13.663  13.663
  748   1HZ   LYS  95          1HZ       LYS  95   0.406  14.226  14.226
  749   2HZ   LYS  95          3HZ       LYS  95   2.014  13.858  13.858
  750   3HZ   LYS  95          2HZ       LYS  95   1.214  15.124  15.124
  751    H    CYS  96           H        CYS  96   3.172   8.035   8.035
  752    HA   CYS  96           HA       CYS  96   2.709   5.239   5.239
  753   1HB   CYS  96          2HB       CYS  96   5.292   6.214   6.214
  754   2HB   CYS  96          1HB       CYS  96   4.679   4.566   4.566
  755    H    GLU  97           H        GLU  97   3.197   4.759   4.759
  756    HA   GLU  97           HA       GLU  97   5.628   5.865   5.865
  757   1HB   GLU  97          2HB       GLU  97   3.814   7.070   7.070
  758   2HB   GLU  97          1HB       GLU  97   2.884   5.590   5.590
  759   1HG   GLU  97          2HG       GLU  97   4.472   4.723   4.723
  760   2HG   GLU  97          1HG       GLU  97   5.629   6.001   6.001
  761    H    ASN  98           H        ASN  98   6.684   4.102   4.102
  762    HA   ASN  98           HA       ASN  98   7.242   1.785   1.785
  763   1HB   ASN  98          2HB       ASN  98   4.230   1.771   1.771
  764   2HB   ASN  98          1HB       ASN  98   5.201   0.307   0.307
  765   1HD2  ASN  98          2HD2      ASN  98   6.929   1.606   1.606
  766   2HD2  ASN  98          1HD2      ASN  98   7.285   0.782   0.782
  767    H    GLN  99           H        GLN  99   6.665   2.991   2.991
  768    HA   GLN  99           HA       GLN  99   6.376   2.598   2.598
  769   1HB   GLN  99          2HB       GLN  99   7.303   0.428   0.428
  770   2HB   GLN  99          1HB       GLN  99   8.378   1.315   1.315
  771   1HG   GLN  99          2HG       GLN  99   7.842  -0.151  -0.151
  772   2HG   GLN  99          1HG       GLN  99   6.589  -0.956  -0.956
  773   1HE2  GLN  99          2HE2      GLN  99  10.514  -1.669  -1.669
  774   2HE2  GLN  99          1HE2      GLN  99  10.098  -0.156  -0.156
  775    H    TYR 100           H        TYR 100   4.047   1.650   1.650
  776    HA   TYR 100           HA       TYR 100   2.558   0.390   0.390
  777   1HB   TYR 100          2HB       TYR 100   1.674  -1.228  -1.228
  778   2HB   TYR 100          1HB       TYR 100   2.904  -0.805  -0.805
  779    HD1  TYR 100           HD2      TYR 100  -0.575   0.239   0.239
  780    HD2  TYR 100           HD1      TYR 100   2.216  -0.198  -0.198
  781    HE1  TYR 100           HE2      TYR 100  -2.326   0.960   0.960
  782    HE2  TYR 100           HE1      TYR 100   0.462   0.513   0.513
  783    HH   TYR 100           HH       TYR 100  -2.348   2.028   2.028
  784    HA   PRO 101           HA       PRO 101   0.331   4.189   4.189
  785   1HB   PRO 101          2HB       PRO 101  -2.229   3.341   3.341
  786   2HB   PRO 101          1HB       PRO 101  -0.940   3.591   3.591
  787   1HG   PRO 101          2HG       PRO 101  -1.920   1.013   1.013
  788   2HG   PRO 101          1HG       PRO 101  -1.351   1.332   1.332
  789   1HD   PRO 101          2HD       PRO 101   0.226   0.101   0.101
  790   2HD   PRO 101          1HD       PRO 101   0.894   1.121   1.121
  791    H    VAL 102           H        VAL 102   0.613   4.514   4.514
  792    HA   VAL 102           HA       VAL 102  -1.235   3.301   3.301
  793    HB   VAL 102           HB       VAL 102   1.054   5.277   5.277
  794   1HG1  VAL 102          1HG1      VAL 102  -0.824   4.236   4.236
  795   2HG1  VAL 102          3HG1      VAL 102   0.819   4.744   4.744
  796   3HG1  VAL 102          2HG1      VAL 102  -0.313   5.898   5.898
  797   1HG2  VAL 102          3HG2      VAL 102   1.165   2.590   2.590
  798   2HG2  VAL 102          2HG2      VAL 102   2.361   3.503   3.503
  799   3HG2  VAL 102          1HG2      VAL 102   1.058   2.672   2.672
  800    H    HIS 103           H        HIS 103  -0.997   6.259   6.259
  801    HA   HIS 103           HA       HIS 103  -3.376   7.291   7.291
  802   1HB   HIS 103          2HB       HIS 103  -1.844   9.560   9.560
  803   2HB   HIS 103          1HB       HIS 103  -2.177   9.034   9.034
  804    HD1  HIS 103           HD1      HIS 103  -0.022   8.957   8.957
  805    HD2  HIS 103           HD2      HIS 103   0.520   7.622   7.622
  806    HE1  HIS 103           HE1      HIS 103   2.400   8.213   8.213
  807    H    PHE 104           H        PHE 104  -4.824   8.496   8.496
  808    HA   PHE 104           HA       PHE 104  -4.046   8.244   8.244
  809   1HB   PHE 104          2HB       PHE 104  -6.412   7.292   7.292
  810   2HB   PHE 104          1HB       PHE 104  -6.902   8.660   8.660
  811    HD1  PHE 104           HD1      PHE 104  -4.992   8.605   8.605
  812    HD2  PHE 104           HD2      PHE 104  -6.926   5.330   5.330
  813    HE1  PHE 104           HE1      PHE 104  -4.609   7.215   7.215
  814    HE2  PHE 104           HE2      PHE 104  -6.569   3.921   3.921
  815    HZ   PHE 104           HZ       PHE 104  -5.409   4.873   4.873
  816    H    ALA 105           H        ALA 105  -3.995  10.055  10.055
  817    HA   ALA 105           HA       ALA 105  -4.378  12.650  12.650
  818   1HB   ALA 105          3HB       ALA 105  -2.717  11.681  11.681
  819   2HB   ALA 105          2HB       ALA 105  -3.755  12.902  12.902
  820   3HB   ALA 105          1HB       ALA 105  -2.765  13.312  13.312
  821    H    GLY 106           H        GLY 106  -5.927  10.839  10.839
  822   1HA   GLY 106          2HA       GLY 106  -8.501  11.533  11.533
  823   2HA   GLY 106          1HA       GLY 106  -7.851  13.071  13.071
  824    H    ILE 107           H        ILE 107  -8.767  13.135  13.135
  825    HA   ILE 107           HA       ILE 107  -8.958  10.901  10.901
  826    HB   ILE 107           HB       ILE 107  -9.612  12.628  12.628
  827   1HG1  ILE 107          2HG1      ILE 107  -9.269  14.684  14.684
  828   2HG1  ILE 107          1HG1      ILE 107  -7.932  14.314  14.314
  829   1HG2  ILE 107          3HG2      ILE 107 -11.088  11.732  11.732
  830   2HG2  ILE 107          2HG2      ILE 107 -10.914  13.368  13.368
  831   3HG2  ILE 107          1HG2      ILE 107 -11.654  13.110  13.110
  832   1HD1  ILE 107          1HD1      ILE 107  -9.907  14.577  14.577
  833   2HD1  ILE 107          3HD1      ILE 107 -10.520  15.665  15.665
  834   3HD1  ILE 107          2HD1      ILE 107  -8.926  15.940  15.940
  835    H    GLY 108           H        GLY 108  -8.101  11.677  11.677
  836   1HA   GLY 108          2HA       GLY 108  -5.311  11.033  11.033
  837   2HA   GLY 108          1HA       GLY 108  -6.234  11.537  11.537
  838    H    ARG 109           H        ARG 109  -6.985  14.085  14.085
  839    HA   ARG 109           HA       ARG 109  -4.629  15.640  15.640
  840   1HB   ARG 109          2HB       ARG 109  -7.168  16.233  16.233
  841   2HB   ARG 109          1HB       ARG 109  -7.048  16.844  16.844
  842   1HG   ARG 109          2HG       ARG 109  -4.990  17.621  17.621
  843   2HG   ARG 109          1HG       ARG 109  -6.534  18.472  18.472
  844   1HD   ARG 109          2HD       ARG 109  -5.728  18.347  18.347
  845   2HD   ARG 109          1HD       ARG 109  -4.229  18.653  18.653
  846    HE   ARG 109           HE       ARG 109  -6.542  20.473  20.473
  847   1HH1  ARG 109          1HH1      ARG 109  -4.254  21.428  21.428
  848   2HH1  ARG 109          2HH1      ARG 109  -5.341  20.082  20.082
  849   1HH2  ARG 109          1HH2      ARG 109  -4.376  22.015  22.015
  850   2HH2  ARG 109          2HH2      ARG 109  -3.707  22.524  22.524
  851    H    CYS 110           H        CYS 110  -3.033  16.109  16.109
  852    HA   CYS 110           HA       CYS 110  -3.674  16.275  16.275
  853   1HB   CYS 110          2HB       CYS 110  -1.854  14.557  14.557
  854   2HB   CYS 110          1HB       CYS 110  -0.898  15.669  15.669
  855    HA   PRO 111           HA       PRO 111  -1.670  20.254  20.254
  856   1HB   PRO 111          2HB       PRO 111  -0.364  20.377  20.377
  857   2HB   PRO 111          1HB       PRO 111  -2.122  20.527  20.527
  858   1HG   PRO 111          2HG       PRO 111  -0.522  18.231  18.231
  859   2HG   PRO 111          1HG       PRO 111  -2.195  18.686  18.686
  860   1HD   PRO 111          1HD       PRO 111  -1.372  16.632  16.632
  861   2HD   PRO 111          2HD       PRO 111  -3.011  17.301  17.301

  Start of MODEL    7
    1    HN   PCA   1           HN       PCA   1  -3.476   3.703   3.703
    2    HA   PCA   1           HA       PCA   1  -1.567   4.674   4.674
    3   1HB   PCA   1          1HB       PCA   1  -2.242   5.482   5.482
    4   2HB   PCA   1          2HB       PCA   1  -2.469   3.814   3.814
    5   1HG   PCA   1          1HG       PCA   1  -4.485   5.738   5.738
    6   2HG   PCA   1          2HG       PCA   1  -4.713   4.035   4.035
    7    H    ASN   2           H        ASN   2  -3.558   1.804   1.804
    8    HA   ASN   2           HA       ASN   2  -1.101   0.177   0.177
    9   1HB   ASN   2          2HB       ASN   2  -2.701  -0.004  -0.004
   10   2HB   ASN   2          1HB       ASN   2  -4.002  -0.363  -0.363
   11   1HD2  ASN   2          2HD2      ASN   2  -1.239  -3.293  -3.293
   12   2HD2  ASN   2          1HD2      ASN   2  -0.831  -1.665  -1.665
   13    H    TRP   3           H        TRP   3  -0.926  -1.823  -1.823
   14    HA   TRP   3           HA       TRP   3  -1.700  -1.584  -1.584
   15   1HB   TRP   3          2HB       TRP   3   0.215  -3.042  -3.042
   16   2HB   TRP   3          1HB       TRP   3  -0.831  -4.264  -4.264
   17    HD1  TRP   3           HD1      TRP   3   2.228  -2.730  -2.730
   18    HE1  TRP   3           HE1      TRP   3   2.817  -2.700  -2.700
   19    HE3  TRP   3           HE3      TRP   3  -2.420  -3.477  -3.477
   20    HZ2  TRP   3           HZ2      TRP   3   1.521  -2.971  -2.971
   21    HZ3  TRP   3           HZ3      TRP   3  -2.692  -3.605  -3.605
   22    HH2  TRP   3           HH2      TRP   3  -0.729  -3.351  -3.351
   23    H    ALA   4           H        ALA   4  -2.711  -3.809  -3.809
   24    HA   ALA   4           HA       ALA   4  -4.515  -5.400  -5.400
   25   1HB   ALA   4          1HB       ALA   4  -3.590  -5.434  -5.434
   26   2HB   ALA   4          3HB       ALA   4  -5.291  -5.021  -5.021
   27   3HB   ALA   4          2HB       ALA   4  -4.842  -6.496  -6.496
   28    H    THR   5           H        THR   5  -5.206  -2.708  -2.708
   29    HA   THR   5           HA       THR   5  -8.001  -2.525  -2.525
   30    HB   THR   5           HB       THR   5  -6.387  -0.123  -0.123
   31    HG1  THR   5           HG1      THR   5  -6.530  -0.999  -0.999
   32   1HG2  THR   5          1HG2      THR   5  -8.957  -0.255  -0.255
   33   2HG2  THR   5          3HG2      THR   5  -8.971  -1.160  -1.160
   34   3HG2  THR   5          2HG2      THR   5  -8.360   0.495   0.495
   35    H    PHE   6           H        PHE   6  -5.098  -1.229  -1.229
   36    HA   PHE   6           HA       PHE   6  -6.515   0.602   0.602
   37   1HB   PHE   6          2HB       PHE   6  -4.203   1.077   1.077
   38   2HB   PHE   6          1HB       PHE   6  -3.724  -0.465  -0.465
   39    HD1  PHE   6           HD2      PHE   6  -4.026  -0.864  -0.864
   40    HD2  PHE   6           HD1      PHE   6  -4.565   3.058   3.058
   41    HE1  PHE   6           HE2      PHE   6  -3.805   0.150   0.150
   42    HE2  PHE   6           HE1      PHE   6  -4.344   4.075   4.075
   43    HZ   PHE   6           HZ       PHE   6  -3.965   2.605   2.605
   44    H    GLN   7           H        GLN   7  -5.839  -2.773  -2.773
   45    HA   GLN   7           HA       GLN   7  -5.932  -3.295  -3.295
   46   1HB   GLN   7          2HB       GLN   7  -5.179  -4.989  -4.989
   47   2HB   GLN   7          1HB       GLN   7  -6.841  -5.099  -5.099
   48   1HG   GLN   7          2HG       GLN   7  -7.059  -6.761  -6.761
   49   2HG   GLN   7          1HG       GLN   7  -7.168  -5.460  -5.460
   50   1HE2  GLN   7          2HE2      GLN   7  -3.441  -7.164  -7.164
   51   2HE2  GLN   7          1HE2      GLN   7  -4.378  -6.869  -6.869
   52    H    GLN   8           H        GLN   8  -8.337  -2.977  -2.977
   53    HA   GLN   8           HA       GLN   8 -10.583  -3.479  -3.479
   54   1HB   GLN   8          2HB       GLN   8 -10.227  -2.870  -2.870
   55   2HB   GLN   8          1HB       GLN   8 -11.682  -2.181  -2.181
   56   1HG   GLN   8          2HG       GLN   8 -12.525  -4.296  -4.296
   57   2HG   GLN   8          1HG       GLN   8 -10.945  -5.069  -5.069
   58   1HE2  GLN   8          2HE2      GLN   8 -13.350  -5.278  -5.278
   59   2HE2  GLN   8          1HE2      GLN   8 -13.837  -5.087  -5.087
   60    H    LYS   9           H        LYS   9  -8.792  -0.747  -0.747
   61    HA   LYS   9           HA       LYS   9 -10.300   1.479   1.479
   62   1HB   LYS   9          2HB       LYS   9  -8.070   1.667   1.667
   63   2HB   LYS   9          1HB       LYS   9  -7.327   1.186   1.186
   64   1HG   LYS   9          2HG       LYS   9  -7.154   3.420   3.420
   65   2HG   LYS   9          1HG       LYS   9  -8.831   3.291   3.291
   66   1HD   LYS   9          2HD       LYS   9  -9.403   4.709   4.709
   67   2HD   LYS   9          1HD       LYS   9  -8.941   3.471   3.471
   68   1HE   LYS   9          2HE       LYS   9  -6.595   4.296   4.296
   69   2HE   LYS   9          1HE       LYS   9  -7.109   5.571   5.571
   70   1HZ   LYS   9          1HZ       LYS   9  -8.783   6.145   6.145
   71   2HZ   LYS   9          3HZ       LYS   9  -7.812   5.199   5.199
   72   3HZ   LYS   9          2HZ       LYS   9  -7.156   6.566   6.566
   73    H    HIS  10           H        HIS  10  -8.127   0.089   0.089
   74    HA   HIS  10           HA       HIS  10  -9.943   1.329   1.329
   75   1HB   HIS  10          2HB       HIS  10  -6.984   0.733   0.733
   76   2HB   HIS  10          1HB       HIS  10  -7.964   1.262   1.262
   77    HD1  HIS  10           HD1      HIS  10  -9.126   3.601   3.601
   78    HD2  HIS  10           HD2      HIS  10  -6.586   2.703   2.703
   79    HE1  HIS  10           HE1      HIS  10  -8.936   5.713   5.713
   80    H    ILE  11           H        ILE  11  -8.554  -1.773  -1.773
   81    HA   ILE  11           HA       ILE  11  -9.536  -2.903  -2.903
   82    HB   ILE  11           HB       ILE  11  -7.986  -4.299  -4.299
   83   1HG1  ILE  11          2HG1      ILE  11  -6.270  -4.085  -4.085
   84   2HG1  ILE  11          1HG1      ILE  11  -7.221  -2.632  -2.632
   85   1HG2  ILE  11          2HG2      ILE  11  -9.008  -5.075  -5.075
   86   2HG2  ILE  11          1HG2      ILE  11  -7.502  -5.774  -5.774
   87   3HG2  ILE  11          3HG2      ILE  11  -8.992  -6.012  -6.012
   88   1HD1  ILE  11          2HD1      ILE  11  -6.341  -3.148  -3.148
   89   2HD1  ILE  11          1HD1      ILE  11  -5.115  -2.615  -2.615
   90   3HD1  ILE  11          3HD1      ILE  11  -6.537  -1.616  -1.616
   91    H    ILE  12           H        ILE  12 -11.789  -2.324  -2.324
   92    HA   ILE  12           HA       ILE  12 -12.883  -4.534  -4.534
   93    HB   ILE  12           HB       ILE  12 -14.306  -2.161  -2.161
   94   1HG1  ILE  12          2HG1      ILE  12 -13.304  -2.579  -2.579
   95   2HG1  ILE  12          1HG1      ILE  12 -12.651  -1.426  -1.426
   96   1HG2  ILE  12          3HG2      ILE  12 -15.554  -4.347  -4.347
   97   2HG2  ILE  12          2HG2      ILE  12 -15.271  -3.836  -3.836
   98   3HG2  ILE  12          1HG2      ILE  12 -16.207  -2.812  -2.812
   99   1HD1  ILE  12          3HD1      ILE  12 -15.490  -1.023  -1.023
  100   2HD1  ILE  12          2HD1      ILE  12 -14.813  -1.040  -1.040
  101   3HD1  ILE  12          1HD1      ILE  12 -14.193   0.093   0.093
  102    H    ASN  13           H        ASN  13 -12.048  -5.928  -5.928
  103    HA   ASN  13           HA       ASN  13 -13.215  -5.787  -5.787
  104   1HB   ASN  13          2HB       ASN  13 -11.042  -7.058  -7.058
  105   2HB   ASN  13          1HB       ASN  13 -12.181  -8.400  -8.400
  106   1HD2  ASN  13          2HD2      ASN  13 -10.701  -7.807  -7.807
  107   2HD2  ASN  13          1HD2      ASN  13  -9.939  -7.496  -7.496
  108    H    THR  14           H        THR  14 -15.477  -5.610  -5.610
  109    HA   THR  14           HA       THR  14 -16.807  -8.256  -8.256
  110    HB   THR  14           HB       THR  14 -18.554  -7.034  -7.034
  111    HG1  THR  14           HG1      THR  14 -17.652  -5.007  -5.007
  112   1HG2  THR  14          3HG2      THR  14 -15.850  -8.034  -8.034
  113   2HG2  THR  14          2HG2      THR  14 -17.171  -7.698  -7.698
  114   3HG2  THR  14          1HG2      THR  14 -17.357  -8.946  -8.946
  115    HA   PRO  15           HA       PRO  15 -18.432  -5.250  -5.250
  116   1HB   PRO  15          2HB       PRO  15 -17.889  -6.772  -6.772
  117   2HB   PRO  15          1HB       PRO  15 -16.768  -5.577  -5.577
  118   1HG   PRO  15          2HG       PRO  15 -16.632  -8.542  -8.542
  119   2HG   PRO  15          1HG       PRO  15 -15.330  -7.351  -7.351
  120   1HD   PRO  15          2HD       PRO  15 -16.558  -8.767  -8.767
  121   2HD   PRO  15          1HD       PRO  15 -15.428  -7.402  -7.402
  122    H    ILE  16           H        ILE  16 -20.393  -5.962  -5.962
  123    HA   ILE  16           HA       ILE  16 -21.945  -7.974  -7.974
  124    HB   ILE  16           HB       ILE  16 -23.132  -8.510  -8.510
  125   1HG1  ILE  16          2HG1      ILE  16 -20.704  -7.171  -7.171
  126   2HG1  ILE  16          1HG1      ILE  16 -22.304  -6.433  -6.433
  127   1HG2  ILE  16          1HG2      ILE  16 -21.388  -9.967  -9.967
  128   2HG2  ILE  16          3HG2      ILE  16 -20.164  -9.105  -9.105
  129   3HG2  ILE  16          2HG2      ILE  16 -21.399 -10.050 -10.050
  130   1HD1  ILE  16          3HD1      ILE  16 -21.891  -9.186  -9.186
  131   2HD1  ILE  16          2HD1      ILE  16 -21.678  -7.732  -7.732
  132   3HD1  ILE  16          1HD1      ILE  16 -23.244  -8.082  -8.082
  133    H    ILE  17           H        ILE  17 -24.433  -7.504  -7.504
  134    HA   ILE  17           HA       ILE  17 -24.917  -4.667  -4.667
  135    HB   ILE  17           HB       ILE  17 -27.285  -5.433  -5.433
  136   1HG1  ILE  17          2HG1      ILE  17 -26.265  -8.245  -8.245
  137   2HG1  ILE  17          1HG1      ILE  17 -26.861  -7.321  -7.321
  138   1HG2  ILE  17          3HG2      ILE  17 -25.106  -5.915  -5.915
  139   2HG2  ILE  17          2HG2      ILE  17 -25.886  -7.495  -7.495
  140   3HG2  ILE  17          1HG2      ILE  17 -26.797  -6.090  -6.090
  141   1HD1  ILE  17          1HD1      ILE  17 -28.919  -6.838  -6.838
  142   2HD1  ILE  17          3HD1      ILE  17 -28.356  -8.254  -8.254
  143   3HD1  ILE  17          2HD1      ILE  17 -28.803  -8.398  -8.398
  144    H    ASN  18           H        ASN  18 -23.868  -5.289  -5.289
  145    HA   ASN  18           HA       ASN  18 -25.979  -3.994  -3.994
  146   1HB   ASN  18          2HB       ASN  18 -24.688  -6.577  -6.577
  147   2HB   ASN  18          1HB       ASN  18 -25.972  -5.666  -5.666
  148   1HD2  ASN  18          2HD2      ASN  18 -26.938  -8.394  -8.394
  149   2HD2  ASN  18          1HD2      ASN  18 -25.359  -8.219  -8.219
  150    H    CYS  19           H        CYS  19 -24.635  -2.202  -2.202
  151    HA   CYS  19           HA       CYS  19 -21.838  -2.545  -2.545
  152   1HB   CYS  19          2HB       CYS  19 -23.447   0.037   0.037
  153   2HB   CYS  19          1HB       CYS  19 -21.698  -0.135  -0.135
  154    H    ASN  20           H        ASN  20 -24.812  -2.779  -2.779
  155    HA   ASN  20           HA       ASN  20 -24.025  -1.410  -1.410
  156   1HB   ASN  20          2HB       ASN  20 -26.135  -2.506  -2.506
  157   2HB   ASN  20          1HB       ASN  20 -26.367  -1.399  -1.399
  158   1HD2  ASN  20          2HD2      ASN  20 -27.522  -3.925  -3.925
  159   2HD2  ASN  20          1HD2      ASN  20 -27.029  -2.308  -2.308
  160    H    THR  21           H        THR  21 -24.534  -4.862  -4.862
  161    HA   THR  21           HA       THR  21 -23.681  -5.866  -5.866
  162    HB   THR  21           HB       THR  21 -23.511  -7.396  -7.396
  163    HG1  THR  21           HG1      THR  21 -25.670  -7.866  -7.866
  164   1HG2  THR  21          2HG2      THR  21 -23.876  -8.125  -8.125
  165   2HG2  THR  21          1HG2      THR  21 -24.197  -9.254  -9.254
  166   3HG2  THR  21          3HG2      THR  21 -22.571  -8.614  -8.614
  167    H    ILE  22           H        ILE  22 -21.876  -4.744  -4.744
  168    HA   ILE  22           HA       ILE  22 -19.401  -6.088  -6.088
  169    HB   ILE  22           HB       ILE  22 -18.371  -4.924  -4.924
  170   1HG1  ILE  22          2HG1      ILE  22 -21.089  -3.654  -3.654
  171   2HG1  ILE  22          1HG1      ILE  22 -19.717  -2.803  -2.803
  172   1HG2  ILE  22          1HG2      ILE  22 -21.037  -6.275  -6.275
  173   2HG2  ILE  22          3HG2      ILE  22 -20.047  -5.770  -5.770
  174   3HG2  ILE  22          2HG2      ILE  22 -19.421  -6.948  -6.948
  175   1HD1  ILE  22          2HD1      ILE  22 -18.388  -3.384  -3.384
  176   2HD1  ILE  22          1HD1      ILE  22 -19.872  -4.015  -4.015
  177   3HD1  ILE  22          3HD1      ILE  22 -19.747  -2.304  -2.304
  178    H    MET  23           H        MET  23 -20.911  -2.919  -2.919
  179    HA   MET  23           HA       MET  23 -18.510  -1.757  -1.757
  180   1HB   MET  23          2HB       MET  23 -19.904  -0.451  -0.451
  181   2HB   MET  23          1HB       MET  23 -21.221  -0.485  -0.485
  182   1HG   MET  23          2HG       MET  23 -18.866   0.374   0.374
  183   2HG   MET  23          1HG       MET  23 -19.001   1.316   1.316
  184   1HE   MET  23          1HE       MET  23 -20.564   2.634   2.634
  185   2HE   MET  23          3HE       MET  23 -22.184   1.952   1.952
  186   3HE   MET  23          2HE       MET  23 -21.787   3.509   3.509
  187    H    ASP  24           H        ASP  24 -20.924  -3.746  -3.746
  188    HA   ASP  24           HA       ASP  24 -21.905  -2.458  -2.458
  189   1HB   ASP  24          2HB       ASP  24 -21.584  -5.332  -5.332
  190   2HB   ASP  24          1HB       ASP  24 -22.143  -4.952  -4.952
  191    H    ASN  25           H        ASN  25 -20.108  -1.431  -1.431
  192    HA   ASN  25           HA       ASN  25 -18.584  -3.046  -3.046
  193   1HB   ASN  25          2HB       ASN  25 -17.356  -3.327  -3.327
  194   2HB   ASN  25          1HB       ASN  25 -16.968  -1.626  -1.626
  195   1HD2  ASN  25          2HD2      ASN  25 -14.032  -3.088  -3.088
  196   2HD2  ASN  25          1HD2      ASN  25 -14.673  -2.703  -2.703
  197    H    ASN  26           H        ASN  26 -17.599  -1.728  -1.728
  198    HA   ASN  26           HA       ASN  26 -18.694   0.937   0.937
  199   1HB   ASN  26          2HB       ASN  26 -16.480  -0.556  -0.556
  200   2HB   ASN  26          1HB       ASN  26 -17.057   1.035   1.035
  201   1HD2  ASN  26          1HD2      ASN  26 -19.552   1.141   1.141
  202   2HD2  ASN  26          2HD2      ASN  26 -20.279  -0.218  -0.218
  203    H    ILE  27           H        ILE  27 -16.032  -0.195  -0.195
  204    HA   ILE  27           HA       ILE  27 -14.423   2.250   2.250
  205    HB   ILE  27           HB       ILE  27 -14.160  -0.039  -0.039
  206   1HG1  ILE  27          2HG1      ILE  27 -12.726   0.381   0.381
  207   2HG1  ILE  27          1HG1      ILE  27 -14.080  -0.729  -0.729
  208   1HG2  ILE  27          3HG2      ILE  27 -12.518   2.358   2.358
  209   2HG2  ILE  27          2HG2      ILE  27 -11.674   0.864   0.864
  210   3HG2  ILE  27          1HG2      ILE  27 -12.770   1.601   1.601
  211   1HD1  ILE  27          2HD1      ILE  27 -12.578  -1.593  -1.593
  212   2HD1  ILE  27          1HD1      ILE  27 -11.282  -0.925  -0.925
  213   3HD1  ILE  27          3HD1      ILE  27 -12.329  -2.187  -2.187
  214    H    TYR  28           H        TYR  28 -17.329   1.890   1.890
  215    HA   TYR  28           HA       TYR  28 -16.729   3.834   3.834
  216   1HB   TYR  28          2HB       TYR  28 -18.208   1.205   1.205
  217   2HB   TYR  28          1HB       TYR  28 -18.436   2.544   2.544
  218    HD1  TYR  28           HD2      TYR  28 -16.098   3.683   3.683
  219    HD2  TYR  28           HD1      TYR  28 -16.623  -0.391  -0.391
  220    HE1  TYR  28           HE2      TYR  28 -14.041   3.038   3.038
  221    HE2  TYR  28           HE1      TYR  28 -14.562  -1.032  -1.032
  222    HH   TYR  28           HH       TYR  28 -12.465   0.094   0.094
  223    H    ILE  29           H        ILE  29 -17.746   5.010   5.010
  224    HA   ILE  29           HA       ILE  29 -20.682   5.269   5.269
  225    HB   ILE  29           HB       ILE  29 -19.541   5.032   5.032
  226   1HG1  ILE  29          2HG1      ILE  29 -21.198   2.995   2.995
  227   2HG1  ILE  29          1HG1      ILE  29 -19.447   2.886   2.886
  228   1HG2  ILE  29          2HG2      ILE  29 -22.208   5.614   5.614
  229   2HG2  ILE  29          1HG2      ILE  29 -22.189   4.548   4.548
  230   3HG2  ILE  29          3HG2      ILE  29 -21.514   6.172   6.172
  231   1HD1  ILE  29          3HD1      ILE  29 -21.348   3.096   3.096
  232   2HD1  ILE  29          2HD1      ILE  29 -20.730   1.568   1.568
  233   3HD1  ILE  29          1HD1      ILE  29 -19.618   2.755   2.755
  234    H    VAL  30           H        VAL  30 -21.589   7.227   7.227
  235    HA   VAL  30           HA       VAL  30 -19.636   9.486   9.486
  236    HB   VAL  30           HB       VAL  30 -22.430   9.490   9.490
  237   1HG1  VAL  30          3HG1      VAL  30 -20.406  11.658  11.658
  238   2HG1  VAL  30          2HG1      VAL  30 -21.586  11.816  11.816
  239   3HG1  VAL  30          1HG1      VAL  30 -22.131  11.647  11.647
  240   1HG2  VAL  30          3HG2      VAL  30 -19.672   9.786   9.786
  241   2HG2  VAL  30          2HG2      VAL  30 -20.742   8.395   8.395
  242   3HG2  VAL  30          1HG2      VAL  30 -21.201   9.958   9.958
  243    H    GLY  31           H        GLY  31 -20.778  11.352  11.352
  244   1HA   GLY  31          2HA       GLY  31 -21.967  10.085  10.085
  245   2HA   GLY  31          1HA       GLY  31 -21.384  11.746  11.746
  246    H    GLY  32           H        GLY  32 -23.772   9.833   9.833
  247   1HA   GLY  32          2HA       GLY  32 -26.030  11.398  11.398
  248   2HA   GLY  32          1HA       GLY  32 -25.570  11.801  11.801
  249    H    GLN  33           H        GLN  33 -24.965   9.543   9.543
  250    HA   GLN  33           HA       GLN  33 -26.676   7.267   7.267
  251   1HB   GLN  33          2HB       GLN  33 -28.403   8.848   8.848
  252   2HB   GLN  33          1HB       GLN  33 -27.513   9.096   9.096
  253   1HG   GLN  33          2HG       GLN  33 -28.964   7.460   7.460
  254   2HG   GLN  33          1HG       GLN  33 -27.700   6.413   6.413
  255   1HE2  GLN  33          2HE2      GLN  33 -31.342   6.464   6.464
  256   2HE2  GLN  33          1HE2      GLN  33 -31.011   7.359   7.359
  257    H    CYS  34           H        CYS  34 -25.761   8.772   8.772
  258    HA   CYS  34           HA       CYS  34 -23.525   6.907   6.907
  259   1HB   CYS  34          2HB       CYS  34 -24.429   5.919   5.919
  260   2HB   CYS  34          1HB       CYS  34 -25.498   5.566   5.566
  261    H    LYS  35           H        LYS  35 -22.049   7.714   7.714
  262    HA   LYS  35           HA       LYS  35 -22.105  10.510  10.510
  263   1HB   LYS  35          2HB       LYS  35 -20.163   8.607   8.607
  264   2HB   LYS  35          1HB       LYS  35 -20.442   8.771   8.771
  265   1HG   LYS  35          2HG       LYS  35 -20.406  11.410  11.410
  266   2HG   LYS  35          1HG       LYS  35 -19.073  10.582  10.582
  267   1HD   LYS  35          2HD       LYS  35 -18.151   9.884   9.884
  268   2HD   LYS  35          1HD       LYS  35 -19.542  10.551  10.551
  269   1HE   LYS  35          2HE       LYS  35 -17.788  12.258  12.258
  270   2HE   LYS  35          1HE       LYS  35 -17.430  12.010  12.010
  271   1HZ   LYS  35          3HZ       LYS  35 -19.971  13.088  13.088
  272   2HZ   LYS  35          2HZ       LYS  35 -18.751  14.003  14.003
  273   3HZ   LYS  35          1HZ       LYS  35 -19.626  12.855  12.855
  274    H    ARG  36           H        ARG  36 -21.548  11.068  11.068
  275    HA   ARG  36           HA       ARG  36 -23.978  10.208  10.208
  276   1HB   ARG  36          2HB       ARG  36 -22.165  12.622  12.622
  277   2HB   ARG  36          1HB       ARG  36 -23.482  12.245  12.245
  278   1HG   ARG  36          2HG       ARG  36 -24.758  13.486  13.486
  279   2HG   ARG  36          1HG       ARG  36 -24.743  12.055  12.055
  280   1HD   ARG  36          2HD       ARG  36 -22.330  13.664  13.664
  281   2HD   ARG  36          1HD       ARG  36 -23.792  14.589  14.589
  282    HE   ARG  36           HE       ARG  36 -22.993  12.095  12.095
  283   1HH1  ARG  36          1HH2      ARG  36 -25.918  12.349  12.349
  284   2HH1  ARG  36          2HH2      ARG  36 -26.229  13.351  13.351
  285   1HH2  ARG  36          1HH1      ARG  36 -24.557  14.568  14.568
  286   2HH2  ARG  36          2HH1      ARG  36 -22.966  14.501  14.501
  287    H    VAL  37           H        VAL  37 -20.789   9.286   9.286
  288    HA   VAL  37           HA       VAL  37 -20.902   8.112   8.112
  289    HB   VAL  37           HB       VAL  37 -20.109  10.541  10.541
  290   1HG1  VAL  37          3HG1      VAL  37 -18.523  10.466  10.466
  291   2HG1  VAL  37          2HG1      VAL  37 -17.463   9.475   9.475
  292   3HG1  VAL  37          1HG1      VAL  37 -17.857  11.123  11.123
  293   1HG2  VAL  37          1HG2      VAL  37 -19.821   8.586   8.586
  294   2HG2  VAL  37          3HG2      VAL  37 -18.631   9.876   9.876
  295   3HG2  VAL  37          2HG2      VAL  37 -18.198   8.389   8.389
  296    H    ASN  38           H        ASN  38 -20.336   6.128   6.128
  297    HA   ASN  38           HA       ASN  38 -18.088   5.637   5.637
  298   1HB   ASN  38          2HB       ASN  38 -20.050   3.553   3.553
  299   2HB   ASN  38          1HB       ASN  38 -18.987   3.444   3.444
  300   1HD2  ASN  38          2HD2      ASN  38 -21.146   6.102   6.102
  301   2HD2  ASN  38          1HD2      ASN  38 -19.561   6.143   6.143
  302    H    THR  39           H        THR  39 -16.580   6.235   6.235
  303    HA   THR  39           HA       THR  39 -16.498   4.767   4.767
  304    HB   THR  39           HB       THR  39 -14.275   6.485   6.485
  305    HG1  THR  39           HG1      THR  39 -16.692   7.282   7.282
  306   1HG2  THR  39          1HG2      THR  39 -14.845   5.175   5.175
  307   2HG2  THR  39          3HG2      THR  39 -14.874   6.921   6.921
  308   3HG2  THR  39          2HG2      THR  39 -13.443   6.153   6.153
  309    H    PHE  40           H        PHE  40 -15.846   2.711   2.711
  310    HA   PHE  40           HA       PHE  40 -13.565   1.867   1.867
  311   1HB   PHE  40          2HB       PHE  40 -15.370   0.028   0.028
  312   2HB   PHE  40          1HB       PHE  40 -14.386  -0.366  -0.366
  313    HD1  PHE  40           HD2      PHE  40 -14.984   1.503   1.503
  314    HD2  PHE  40           HD1      PHE  40 -17.637  -0.112  -0.112
  315    HE1  PHE  40           HE2      PHE  40 -16.920   1.948   1.948
  316    HE2  PHE  40           HE1      PHE  40 -19.571   0.337   0.337
  317    HZ   PHE  40           HZ       PHE  40 -19.212   1.364   1.364
  318    H    ILE  41           H        ILE  41 -11.911   0.416   0.416
  319    HA   ILE  41           HA       ILE  41 -11.734   1.121   1.121
  320    HB   ILE  41           HB       ILE  41  -9.485   0.761   0.761
  321   1HG1  ILE  41          2HG1      ILE  41 -10.692   2.905   2.905
  322   2HG1  ILE  41          1HG1      ILE  41  -9.070   3.151   3.151
  323   1HG2  ILE  41          2HG2      ILE  41  -9.492   1.171   1.171
  324   2HG2  ILE  41          1HG2      ILE  41  -8.100   1.589   1.589
  325   3HG2  ILE  41          3HG2      ILE  41  -8.665  -0.082  -0.082
  326   1HD1  ILE  41          3HD1      ILE  41 -10.185   3.003   3.003
  327   2HD1  ILE  41          2HD1      ILE  41 -11.703   3.247   3.247
  328   3HD1  ILE  41          1HD1      ILE  41 -10.441   4.476   4.476
  329    H    ILE  42           H        ILE  42 -11.452  -0.541  -0.541
  330    HA   ILE  42           HA       ILE  42 -11.310  -3.300  -3.300
  331    HB   ILE  42           HB       ILE  42 -13.325  -2.991  -2.991
  332   1HG1  ILE  42          2HG1      ILE  42 -12.964  -4.577  -4.577
  333   2HG1  ILE  42          1HG1      ILE  42 -11.233  -4.494  -4.494
  334   1HG2  ILE  42          1HG2      ILE  42 -11.535  -1.936  -1.936
  335   2HG2  ILE  42          3HG2      ILE  42 -13.251  -2.285  -2.285
  336   3HG2  ILE  42          2HG2      ILE  42 -12.721  -1.017  -1.017
  337   1HD1  ILE  42          3HD1      ILE  42 -12.133  -5.041  -5.041
  338   2HD1  ILE  42          2HD1      ILE  42 -13.379  -5.845  -5.845
  339   3HD1  ILE  42          1HD1      ILE  42 -11.685  -6.291  -6.291
  340    H    SER  43           H        SER  43  -9.260  -4.020  -4.020
  341    HA   SER  43           HA       SER  43  -7.723  -4.552  -4.552
  342   1HB   SER  43          2HB       SER  43  -7.408  -2.160  -2.160
  343   2HB   SER  43          1HB       SER  43  -6.981  -1.953  -1.953
  344    HG   SER  43           HG       SER  43  -5.021  -2.526  -2.526
  345    H    SER  44           H        SER  44  -5.738  -5.629  -5.629
  346    HA   SER  44           HA       SER  44  -5.654  -6.887  -6.887
  347   1HB   SER  44          2HB       SER  44  -3.316  -7.606  -7.606
  348   2HB   SER  44          1HB       SER  44  -4.593  -8.017  -8.017
  349    HG   SER  44           HG       SER  44  -2.725  -7.027  -7.027
  350    H    ALA  45           H        ALA  45  -4.901  -6.116  -6.116
  351    HA   ALA  45           HA       ALA  45  -4.095  -3.461  -3.461
  352   1HB   ALA  45          2HB       ALA  45  -4.926  -4.975  -4.975
  353   2HB   ALA  45          1HB       ALA  45  -3.411  -5.870  -5.870
  354   3HB   ALA  45          3HB       ALA  45  -3.418  -4.189  -4.189
  355    H    THR  46           H        THR  46  -2.124  -6.272  -6.272
  356    HA   THR  46           HA       THR  46   0.395  -5.003  -5.003
  357    HB   THR  46           HB       THR  46   0.235  -7.408  -7.408
  358    HG1  THR  46           HG1      THR  46   2.235  -6.474  -6.474
  359   1HG2  THR  46          2HG2      THR  46  -0.810  -6.993  -6.993
  360   2HG2  THR  46          1HG2      THR  46   0.253  -8.382  -8.382
  361   3HG2  THR  46          3HG2      THR  46  -1.215  -8.238  -8.238
  362    H    THR  47           H        THR  47  -1.543  -5.164  -5.164
  363    HA   THR  47           HA       THR  47   0.546  -4.200  -4.200
  364    HB   THR  47           HB       THR  47  -1.621  -5.193  -5.193
  365    HG1  THR  47           HG1      THR  47  -0.211  -3.988  -3.988
  366   1HG2  THR  47          1HG2      THR  47  -2.798  -3.042  -3.042
  367   2HG2  THR  47          3HG2      THR  47  -3.107  -2.767  -2.767
  368   3HG2  THR  47          2HG2      THR  47  -3.604  -4.276  -4.276
  369    H    VAL  48           H        VAL  48  -1.710  -2.685  -2.685
  370    HA   VAL  48           HA       VAL  48  -1.097   0.054   0.054
  371    HB   VAL  48           HB       VAL  48  -2.160  -0.950  -0.950
  372   1HG1  VAL  48          1HG1      VAL  48  -1.336   1.483   1.483
  373   2HG1  VAL  48          3HG1      VAL  48  -2.794   1.646   1.646
  374   3HG1  VAL  48          2HG1      VAL  48  -2.922   1.251   1.251
  375   1HG2  VAL  48          2HG2      VAL  48  -3.433  -0.734  -0.734
  376   2HG2  VAL  48          1HG2      VAL  48  -3.826  -1.804  -1.804
  377   3HG2  VAL  48          3HG2      VAL  48  -4.370  -0.128  -0.128
  378    H    LYS  49           H        LYS  49   0.077  -2.344  -2.344
  379    HA   LYS  49           HA       LYS  49   1.830  -0.701  -0.701
  380   1HB   LYS  49          2HB       LYS  49   1.128  -3.023  -3.023
  381   2HB   LYS  49          1HB       LYS  49   2.158  -3.646  -3.646
  382   1HG   LYS  49          2HG       LYS  49   4.104  -2.474  -2.474
  383   2HG   LYS  49          1HG       LYS  49   3.044  -2.054  -2.054
  384   1HD   LYS  49          2HD       LYS  49   4.058  -4.037  -4.037
  385   2HD   LYS  49          1HD       LYS  49   2.530  -4.613  -4.613
  386   1HE   LYS  49          2HE       LYS  49   3.664  -5.938  -5.938
  387   2HE   LYS  49          1HE       LYS  49   4.406  -4.515  -4.515
  388   1HZ   LYS  49          3HZ       LYS  49   5.456  -5.542  -5.542
  389   2HZ   LYS  49          2HZ       LYS  49   5.875  -6.327  -6.327
  390   3HZ   LYS  49          1HZ       LYS  49   6.254  -4.686  -4.686
  391    H    ALA  50           H        ALA  50   2.071  -1.954  -1.954
  392    HA   ALA  50           HA       ALA  50   4.984  -1.731  -1.731
  393   1HB   ALA  50          1HB       ALA  50   2.861  -2.797  -2.797
  394   2HB   ALA  50          3HB       ALA  50   3.979  -1.809  -1.809
  395   3HB   ALA  50          2HB       ALA  50   4.584  -3.169  -3.169
  396    H    ILE  51           H        ILE  51   2.169   0.233   0.233
  397    HA   ILE  51           HA       ILE  51   3.756   2.200   2.200
  398    HB   ILE  51           HB       ILE  51   1.727   3.574   3.574
  399   1HG1  ILE  51          2HG1      ILE  51   0.156   1.517   1.517
  400   2HG1  ILE  51          1HG1      ILE  51   1.238   2.480   2.480
  401   1HG2  ILE  51          2HG2      ILE  51   2.047   1.462   1.462
  402   2HG2  ILE  51          1HG2      ILE  51   0.856   0.720   0.720
  403   3HG2  ILE  51          3HG2      ILE  51   0.424   2.144   2.144
  404   1HD1  ILE  51          1HD1      ILE  51  -0.142   4.190   4.190
  405   2HD1  ILE  51          3HD1      ILE  51  -1.302   3.238   3.238
  406   3HD1  ILE  51          2HD1      ILE  51  -0.133   4.258   4.258
  407    H    CYS  52           H        CYS  52   3.202   1.661   1.661
  408    HA   CYS  52           HA       CYS  52   4.135   4.415   4.415
  409   1HB   CYS  52          2HB       CYS  52   1.998   2.948   2.948
  410   2HB   CYS  52          1HB       CYS  52   3.234   2.798   2.798
  411    H    THR  53           H        THR  53   5.840   2.067   2.067
  412    HA   THR  53           HA       THR  53   7.388   1.513   1.513
  413    HB   THR  53           HB       THR  53   8.102   0.491   0.491
  414    HG1  THR  53           HG1      THR  53   6.709  -1.232  -1.232
  415   1HG2  THR  53          2HG2      THR  53   9.554   0.225   0.225
  416   2HG2  THR  53          1HG2      THR  53   8.297  -0.864  -0.864
  417   3HG2  THR  53          3HG2      THR  53   9.175  -1.248  -1.248
  418    H    GLY  54           H        GLY  54   8.756   3.156   3.156
  419   1HA   GLY  54          2HA       GLY  54  10.875   3.891   3.891
  420   2HA   GLY  54          1HA       GLY  54   9.763   5.215   5.215
  421    H    VAL  55           H        VAL  55   9.259   5.191   5.191
  422    HA   VAL  55           HA       VAL  55  11.656   4.681   4.681
  423    HB   VAL  55           HB       VAL  55  12.051   6.828   6.828
  424   1HG1  VAL  55          3HG1      VAL  55   9.446   7.414   7.414
  425   2HG1  VAL  55          2HG1      VAL  55  10.395   8.437   8.437
  426   3HG1  VAL  55          1HG1      VAL  55  10.615   8.555   8.555
  427   1HG2  VAL  55          2HG2      VAL  55  12.886   6.179   6.179
  428   2HG2  VAL  55          1HG2      VAL  55  13.248   7.752   7.752
  429   3HG2  VAL  55          3HG2      VAL  55  11.920   7.589   7.589
  430    H    ILE  56           H        ILE  56  11.125   5.810   5.810
  431    HA   ILE  56           HA       ILE  56   8.513   4.731   4.731
  432    HB   ILE  56           HB       ILE  56   9.273   5.256   5.256
  433   1HG1  ILE  56          2HG1      ILE  56  11.821   6.268   6.268
  434   2HG1  ILE  56          1HG1      ILE  56  10.533   7.350   7.350
  435   1HG2  ILE  56          2HG2      ILE  56  11.168   3.844   3.844
  436   2HG2  ILE  56          1HG2      ILE  56  11.436   3.871   3.871
  437   3HG2  ILE  56          3HG2      ILE  56   9.976   3.131   3.131
  438   1HD1  ILE  56          3HD1      ILE  56  11.670   5.281   5.281
  439   2HD1  ILE  56          2HD1      ILE  56  12.462   6.844   6.844
  440   3HD1  ILE  56          1HD1      ILE  56  10.806   6.768   6.768
  441    H    ASN  57           H        ASN  57   8.640   7.260   7.260
  442    HA   ASN  57           HA       ASN  57   6.452   8.715   8.715
  443   1HB   ASN  57          2HB       ASN  57   8.476   9.317   9.317
  444   2HB   ASN  57          1HB       ASN  57   8.985  10.322  10.322
  445   1HD2  ASN  57          2HD2      ASN  57   6.170  12.556  12.556
  446   2HD2  ASN  57          1HD2      ASN  57   7.218  11.876  11.876
  447    H    MET  58           H        MET  58   5.665   9.106   9.106
  448    HA   MET  58           HA       MET  58   7.261  10.755  10.755
  449   1HB   MET  58          2HB       MET  58   7.581   8.067   8.067
  450   2HB   MET  58          1HB       MET  58   6.185   8.292   8.292
  451   1HG   MET  58          2HG       MET  58   7.359   9.610   9.610
  452   2HG   MET  58          1HG       MET  58   8.506  10.162  10.162
  453   1HE   MET  58          3HE       MET  58   8.225   8.901   8.901
  454   2HE   MET  58          2HE       MET  58   9.485   7.709   7.709
  455   3HE   MET  58          1HE       MET  58   7.874   7.175   7.175
  456    H    ASN  59           H        ASN  59   6.003  10.882  10.882
  457    HA   ASN  59           HA       ASN  59   3.042  10.960  10.960
  458   1HB   ASN  59          2HB       ASN  59   4.912  13.198  13.198
  459   2HB   ASN  59          1HB       ASN  59   3.312  13.142  13.142
  460   1HD2  ASN  59          2HD2      ASN  59   1.717  14.405  14.405
  461   2HD2  ASN  59          1HD2      ASN  59   1.635  14.049  14.049
  462    H    VAL  60           H        VAL  60   2.261   9.646   9.646
  463    HA   VAL  60           HA       VAL  60   3.553   9.782   9.782
  464    HB   VAL  60           HB       VAL  60   4.567   7.896   7.896
  465   1HG1  VAL  60          1HG1      VAL  60   2.259   7.562   7.562
  466   2HG1  VAL  60          3HG1      VAL  60   1.946   6.449   6.449
  467   3HG1  VAL  60          2HG1      VAL  60   3.330   6.190   6.190
  468   1HG2  VAL  60          3HG2      VAL  60   4.052   7.824   7.824
  469   2HG2  VAL  60          2HG2      VAL  60   4.400   6.291   6.291
  470   3HG2  VAL  60          1HG2      VAL  60   2.733   6.736   6.736
  471    H    LEU  61           H        LEU  61   2.086   8.535   8.535
  472    HA   LEU  61           HA       LEU  61  -0.782   8.611   8.611
  473   1HB   LEU  61          2HB       LEU  61   0.298   9.818   9.818
  474   2HB   LEU  61          1HB       LEU  61  -1.386   9.792   9.792
  475    HG   LEU  61           HG       LEU  61  -0.466  11.006  11.006
  476   1HD1  LEU  61          3HD1      LEU  61   1.864  10.906  10.906
  477   2HD1  LEU  61          2HD1      LEU  61   1.439  12.564  12.564
  478   3HD1  LEU  61          1HD1      LEU  61   1.765  11.384  11.384
  479   1HD2  LEU  61          1HD2      LEU  61  -1.182  11.987  11.987
  480   2HD2  LEU  61          3HD2      LEU  61  -1.921  12.349  12.349
  481   3HD2  LEU  61          2HD2      LEU  61  -0.445  13.174  13.174
  482    H    SER  62           H        SER  62  -1.690   6.679   6.679
  483    HA   SER  62           HA       SER  62  -0.522   4.679   4.679
  484   1HB   SER  62          2HB       SER  62  -3.339   4.269   4.269
  485   2HB   SER  62          1HB       SER  62  -2.120   3.423   3.423
  486    HG   SER  62           HG       SER  62  -3.403   4.305   4.305
  487    H    THR  63           H        THR  63  -0.006   5.679   5.679
  488    HA   THR  63           HA       THR  63  -2.105   7.080   7.080
  489    HB   THR  63           HB       THR  63  -0.121   7.225   7.225
  490    HG1  THR  63           HG1      THR  63   1.629   6.299   6.299
  491   1HG2  THR  63          3HG2      THR  63  -0.267   8.576   8.576
  492   2HG2  THR  63          2HG2      THR  63   0.920   9.051   9.051
  493   3HG2  THR  63          1HG2      THR  63  -0.804   9.190   9.190
  494    H    THR  64           H        THR  64  -0.467   3.966   3.966
  495    HA   THR  64           HA       THR  64  -0.992   3.144   3.144
  496    HB   THR  64           HB       THR  64  -1.020   1.418   1.418
  497    HG1  THR  64           HG1      THR  64   0.900   2.595   2.595
  498   1HG2  THR  64          3HG2      THR  64  -1.960   0.444   0.444
  499   2HG2  THR  64          2HG2      THR  64  -0.339   0.626   0.626
  500   3HG2  THR  64          1HG2      THR  64  -0.608  -0.434  -0.434
  501    H    ARG  65           H        ARG  65  -2.918   1.821   1.821
  502    HA   ARG  65           HA       ARG  65  -5.448   2.838   2.838
  503   1HB   ARG  65          2HB       ARG  65  -4.578   1.145   1.145
  504   2HB   ARG  65          1HB       ARG  65  -5.720   0.171   0.171
  505   1HG   ARG  65          2HG       ARG  65  -7.501   1.571   1.571
  506   2HG   ARG  65          1HG       ARG  65  -6.475   2.999   2.999
  507   1HD   ARG  65          2HD       ARG  65  -6.023   0.861   0.861
  508   2HD   ARG  65          1HD       ARG  65  -7.548   1.737   1.737
  509    HE   ARG  65           HE       ARG  65  -5.597   3.715   3.715
  510   1HH1  ARG  65          2HH1      ARG  65  -4.517   1.166   1.166
  511   2HH1  ARG  65          1HH1      ARG  65  -4.551   1.887   1.887
  512   1HH2  ARG  65          1HH2      ARG  65  -6.403   4.639   4.639
  513   2HH2  ARG  65          2HH2      ARG  65  -5.620   3.855   3.855
  514    H    PHE  66           H        PHE  66  -6.115   2.572   2.572
  515    HA   PHE  66           HA       PHE  66  -6.166  -0.254  -0.254
  516   1HB   PHE  66          2HB       PHE  66  -5.727   2.326   2.326
  517   2HB   PHE  66          1HB       PHE  66  -5.955   0.736   0.736
  518    HD1  PHE  66           HD1      PHE  66  -3.738   2.693   2.693
  519    HD2  PHE  66           HD2      PHE  66  -4.131  -0.841  -0.841
  520    HE1  PHE  66           HE1      PHE  66  -1.342   2.189   2.189
  521    HE2  PHE  66           HE2      PHE  66  -1.736  -1.332  -1.332
  522    HZ   PHE  66           HZ       PHE  66  -0.345   0.171   0.171
  523    H    GLN  67           H        GLN  67  -8.195   0.058   0.058
  524    HA   GLN  67           HA       GLN  67 -10.409   1.449   1.449
  525   1HB   GLN  67          2HB       GLN  67 -10.054  -1.490  -1.490
  526   2HB   GLN  67          1HB       GLN  67 -11.695  -0.858  -0.858
  527   1HG   GLN  67          2HG       GLN  67 -11.684   0.036   0.036
  528   2HG   GLN  67          1HG       GLN  67  -9.922   0.045   0.045
  529   1HE2  GLN  67          2HE2      GLN  67  -9.859  -3.091  -3.091
  530   2HE2  GLN  67          1HE2      GLN  67  -9.137  -1.572  -1.572
  531    H    LEU  68           H        LEU  68 -11.806   2.441   2.441
  532    HA   LEU  68           HA       LEU  68 -11.879   1.632   1.632
  533   1HB   LEU  68          2HB       LEU  68 -12.942   3.792   3.792
  534   2HB   LEU  68          1HB       LEU  68 -11.447   4.017   4.017
  535    HG   LEU  68           HG       LEU  68 -13.025   3.945   3.945
  536   1HD1  LEU  68          2HD1      LEU  68 -14.888   3.949   3.949
  537   2HD1  LEU  68          1HD1      LEU  68 -15.131   5.362   5.362
  538   3HD1  LEU  68          3HD1      LEU  68 -15.210   3.741   3.741
  539   1HD2  LEU  68          2HD2      LEU  68 -11.804   5.953   5.953
  540   2HD2  LEU  68          1HD2      LEU  68 -12.601   6.174   6.174
  541   3HD2  LEU  68          3HD2      LEU  68 -13.480   6.495   6.495
  542    H    ASN  69           H        ASN  69 -13.793   1.329   1.329
  543    HA   ASN  69           HA       ASN  69 -16.255   0.754   0.754
  544   1HB   ASN  69          2HB       ASN  69 -14.958  -1.193  -1.193
  545   2HB   ASN  69          1HB       ASN  69 -15.773  -0.496  -0.496
  546   1HD2  ASN  69          2HD2      ASN  69 -18.845  -1.991  -1.991
  547   2HD2  ASN  69          1HD2      ASN  69 -17.863  -1.235  -1.235
  548    H    THR  70           H        THR  70 -17.476   2.624   2.624
  549    HA   THR  70           HA       THR  70 -17.430   3.689   3.689
  550    HB   THR  70           HB       THR  70 -18.283   5.126   5.126
  551    HG1  THR  70           HG1      THR  70 -16.247   5.980   5.980
  552   1HG2  THR  70          3HG2      THR  70 -19.003   5.827   5.827
  553   2HG2  THR  70          2HG2      THR  70 -17.341   6.405   6.405
  554   3HG2  THR  70          1HG2      THR  70 -18.419   7.047   7.047
  555    H    CYS  71           H        CYS  71 -19.173   3.553   3.553
  556    HA   CYS  71           HA       CYS  71 -21.858   3.079   3.079
  557   1HB   CYS  71          2HB       CYS  71 -21.014   2.687   2.687
  558   2HB   CYS  71          1HB       CYS  71 -22.602   2.331   2.331
  559    H    THR  72           H        THR  72 -22.737   5.107   5.107
  560    HA   THR  72           HA       THR  72 -22.026   7.229   7.229
  561    HB   THR  72           HB       THR  72 -23.197   7.636   7.636
  562    HG1  THR  72           HG1      THR  72 -21.142   7.779   7.779
  563   1HG2  THR  72          1HG2      THR  72 -21.797   9.429   9.429
  564   2HG2  THR  72          3HG2      THR  72 -22.055   9.878   9.878
  565   3HG2  THR  72          2HG2      THR  72 -23.437   9.594   9.594
  566    H    ARG  73           H        ARG  73 -23.577   8.476   8.476
  567    HA   ARG  73           HA       ARG  73 -26.196   7.408   7.408
  568   1HB   ARG  73          2HB       ARG  73 -24.883   8.931   8.931
  569   2HB   ARG  73          1HB       ARG  73 -25.322  10.263  10.263
  570   1HG   ARG  73          2HG       ARG  73 -27.742   9.624   9.624
  571   2HG   ARG  73          1HG       ARG  73 -27.212   8.470   8.470
  572   1HD   ARG  73          2HD       ARG  73 -25.907  10.792  10.792
  573   2HD   ARG  73          1HD       ARG  73 -27.457  11.393  11.393
  574    HE   ARG  73           HE       ARG  73 -27.327   9.216   9.216
  575   1HH1  ARG  73          2HH1      ARG  73 -29.556  11.066  11.066
  576   2HH1  ARG  73          1HH1      ARG  73 -30.203  11.833  11.833
  577   1HH2  ARG  73          1HH2      ARG  73 -27.675  10.719  10.719
  578   2HH2  ARG  73          2HH2      ARG  73 -29.140  11.636  11.636
  579    H    THR  74           H        THR  74 -28.080   7.762   7.762
  580    HA   THR  74           HA       THR  74 -27.960   9.807   9.807
  581    HB   THR  74           HB       THR  74 -29.791   8.261   8.261
  582    HG1  THR  74           HG1      THR  74 -28.454   6.466   6.466
  583   1HG2  THR  74          2HG2      THR  74 -26.836   7.929   7.929
  584   2HG2  THR  74          1HG2      THR  74 -27.754   6.625   6.625
  585   3HG2  THR  74          3HG2      THR  74 -27.874   8.266   8.266
  586    H    SER  75           H        SER  75 -30.933   8.108   8.108
  587    HA   SER  75           HA       SER  75 -31.980  10.672  10.672
  588   1HB   SER  75          2HB       SER  75 -34.109  10.243  10.243
  589   2HB   SER  75          1HB       SER  75 -32.783  10.392  10.392
  590    HG   SER  75           HG       SER  75 -34.417   8.301   8.301
  591    H    ILE  76           H        ILE  76 -33.322  10.430  10.430
  592    HA   ILE  76           HA       ILE  76 -33.181   7.978   7.978
  593    HB   ILE  76           HB       ILE  76 -33.303  10.196  10.196
  594   1HG1  ILE  76          2HG1      ILE  76 -35.806   8.729   8.729
  595   2HG1  ILE  76          1HG1      ILE  76 -34.229   7.963   7.963
  596   1HG2  ILE  76          2HG2      ILE  76 -35.523  10.535  10.535
  597   2HG2  ILE  76          1HG2      ILE  76 -36.130  10.654  10.654
  598   3HG2  ILE  76          3HG2      ILE  76 -34.825  11.710  11.710
  599   1HD1  ILE  76          3HD1      ILE  76 -35.008  10.678  10.678
  600   2HD1  ILE  76          2HD1      ILE  76 -34.908   9.185   9.185
  601   3HD1  ILE  76          1HD1      ILE  76 -33.450   9.880   9.880
  602    H    THR  77           H        THR  77 -34.565   6.325   6.325
  603    HA   THR  77           HA       THR  77 -37.347   6.336   6.336
  604    HB   THR  77           HB       THR  77 -36.747   4.672   4.672
  605    HG1  THR  77           HG1      THR  77 -35.748   6.114   6.114
  606   1HG2  THR  77          1HG2      THR  77 -38.327   7.078   7.078
  607   2HG2  THR  77          3HG2      THR  77 -37.911   6.904   6.904
  608   3HG2  THR  77          2HG2      THR  77 -38.794   5.623   5.623
  609    HA   PRO  78           HA       PRO  78 -35.858   1.855   1.855
  610   1HB   PRO  78          2HB       PRO  78 -33.247   1.210   1.210
  611   2HB   PRO  78          1HB       PRO  78 -34.534   1.165   1.165
  612   1HG   PRO  78          2HG       PRO  78 -32.334   3.142   3.142
  613   2HG   PRO  78          1HG       PRO  78 -33.236   2.702   2.702
  614   1HD   PRO  78          2HD       PRO  78 -33.640   5.024   5.024
  615   2HD   PRO  78          1HD       PRO  78 -34.682   4.433   4.433
  616    H    ARG  79           H        ARG  79 -33.639   0.737   0.737
  617    HA   ARG  79           HA       ARG  79 -32.609   2.706   2.706
  618   1HB   ARG  79          2HB       ARG  79 -33.294   1.126   1.126
  619   2HB   ARG  79          1HB       ARG  79 -34.582   2.084   2.084
  620   1HG   ARG  79          2HG       ARG  79 -34.191  -0.454  -0.454
  621   2HG   ARG  79          1HG       ARG  79 -34.566  -0.695  -0.695
  622   1HD   ARG  79          2HD       ARG  79 -36.186   1.298   1.298
  623   2HD   ARG  79          1HD       ARG  79 -36.512  -0.417  -0.417
  624    HE   ARG  79           HE       ARG  79 -37.201  -0.573  -0.573
  625   1HH1  ARG  79          1HH2      ARG  79 -35.407   1.287   1.287
  626   2HH1  ARG  79          2HH2      ARG  79 -36.413   2.660   2.660
  627   1HH2  ARG  79          2HH1      ARG  79 -38.864   1.731   1.731
  628   2HH2  ARG  79          1HH1      ARG  79 -38.368   2.912   2.912
  629    HA   PRO  80           HA       PRO  80 -31.567   2.242   2.242
  630   1HB   PRO  80          2HB       PRO  80 -28.935   2.818   2.818
  631   2HB   PRO  80          1HB       PRO  80 -29.804   1.433   1.433
  632   1HG   PRO  80          2HG       PRO  80 -27.761   1.484   1.484
  633   2HG   PRO  80          1HG       PRO  80 -28.140   0.194   0.194
  634   1HD   PRO  80          2HD       PRO  80 -28.962   0.262   0.262
  635   2HD   PRO  80          1HD       PRO  80 -29.663  -0.768  -0.768
  636    H    CYS  81           H        CYS  81 -29.074   2.672   2.672
  637    HA   CYS  81           HA       CYS  81 -30.056   5.450   5.450
  638   1HB   CYS  81          2HB       CYS  81 -27.149   4.573   4.573
  639   2HB   CYS  81          1HB       CYS  81 -27.737   6.199   6.199
  640    HA   PRO  82           HA       PRO  82 -30.267   3.993   3.993
  641   1HB   PRO  82          2HB       PRO  82 -30.199   6.370   6.370
  642   2HB   PRO  82          1HB       PRO  82 -31.631   5.793   5.793
  643   1HG   PRO  82          2HG       PRO  82 -29.664   7.909   7.909
  644   2HG   PRO  82          1HG       PRO  82 -31.393   7.797   7.797
  645   1HD   PRO  82          2HD       PRO  82 -29.365   7.172   7.172
  646   2HD   PRO  82          1HD       PRO  82 -31.049   6.603   6.603
  647    H    TYR  83           H        TYR  83 -28.565   3.107   3.107
  648    HA   TYR  83           HA       TYR  83 -26.229   4.838   4.838
  649   1HB   TYR  83          2HB       TYR  83 -26.122   2.339   2.339
  650   2HB   TYR  83          1HB       TYR  83 -24.794   2.694   2.694
  651    HD1  TYR  83           HD2      TYR  83 -26.876   4.274   4.274
  652    HD2  TYR  83           HD1      TYR  83 -23.123   4.171   4.171
  653    HE1  TYR  83           HE2      TYR  83 -25.952   5.943   5.943
  654    HE2  TYR  83           HE1      TYR  83 -22.208   5.833   5.833
  655    HH   TYR  83           HH       TYR  83 -22.577   6.716   6.716
  656    H    SER  84           H        SER  84 -25.480   4.497   4.497
  657    HA   SER  84           HA       SER  84 -26.476   2.081   2.081
  658   1HB   SER  84          2HB       SER  84 -26.107   3.566   3.566
  659   2HB   SER  84          1HB       SER  84 -27.424   4.069   4.069
  660    HG   SER  84           HG       SER  84 -25.185   5.391   5.391
  661    H    SER  85           H        SER  85 -24.865   0.686   0.686
  662    HA   SER  85           HA       SER  85 -22.069   1.371   1.371
  663   1HB   SER  85          2HB       SER  85 -23.031  -1.103  -1.103
  664   2HB   SER  85          1HB       SER  85 -21.601  -0.909  -0.909
  665    HG   SER  85           HG       SER  85 -24.315  -1.097  -1.097
  666    H    ARG  86           H        ARG  86 -20.469   1.711   1.711
  667    HA   ARG  86           HA       ARG  86 -21.130   1.569   1.569
  668   1HB   ARG  86          2HB       ARG  86 -21.672   3.903   3.903
  669   2HB   ARG  86          1HB       ARG  86 -19.927   4.092   4.092
  670   1HG   ARG  86          2HG       ARG  86 -19.585   4.232   4.232
  671   2HG   ARG  86          1HG       ARG  86 -20.884   3.096   3.096
  672   1HD   ARG  86          2HD       ARG  86 -22.565   4.788   4.788
  673   2HD   ARG  86          1HD       ARG  86 -21.360   5.918   5.918
  674    HE   ARG  86           HE       ARG  86 -20.424   6.025   6.025
  675   1HH1  ARG  86          2HH1      ARG  86 -22.196   3.473   3.473
  676   2HH1  ARG  86          1HH1      ARG  86 -23.301   4.185   4.185
  677   1HH2  ARG  86          1HH2      ARG  86 -22.405   7.445   7.445
  678   2HH2  ARG  86          2HH2      ARG  86 -23.420   6.435   6.435
  679    H    THR  87           H        THR  87 -19.179   1.663   1.663
  680    HA   THR  87           HA       THR  87 -16.611   1.230   1.230
  681    HB   THR  87           HB       THR  87 -17.423  -0.289  -0.289
  682    HG1  THR  87           HG1      THR  87 -17.544  -1.056  -1.056
  683   1HG2  THR  87          3HG2      THR  87 -14.951   0.072   0.072
  684   2HG2  THR  87          2HG2      THR  87 -15.493  -1.540  -1.540
  685   3HG2  THR  87          1HG2      THR  87 -15.332  -1.116  -1.116
  686    H    GLU  88           H        GLU  88 -14.739   2.022   2.022
  687    HA   GLU  88           HA       GLU  88 -14.889   3.129   3.129
  688   1HB   GLU  88          2HB       GLU  88 -16.014   4.769   4.769
  689   2HB   GLU  88          1HB       GLU  88 -14.329   5.216   5.216
  690   1HG   GLU  88          2HG       GLU  88 -14.296   5.289   5.289
  691   2HG   GLU  88          1HG       GLU  88 -16.024   5.573   5.573
  692    H    THR  89           H        THR  89 -12.798   3.961   3.961
  693    HA   THR  89           HA       THR  89 -10.476   2.625   2.625
  694    HB   THR  89           HB       THR  89 -10.567   5.224   5.224
  695    HG1  THR  89           HG1      THR  89 -11.233   4.044   4.044
  696   1HG2  THR  89          3HG2      THR  89  -8.397   3.865   3.865
  697   2HG2  THR  89          2HG2      THR  89  -8.469   3.259   3.259
  698   3HG2  THR  89          1HG2      THR  89  -8.336   4.990   4.990
  699    H    ASN  90           H        ASN  90  -9.335   3.074   3.074
  700    HA   ASN  90           HA       ASN  90  -9.678   5.839   5.839
  701   1HB   ASN  90          2HB       ASN  90 -10.931   4.259   4.259
  702   2HB   ASN  90          1HB       ASN  90  -9.503   3.269   3.269
  703   1HD2  ASN  90          2HD2      ASN  90  -9.166   6.971   6.971
  704   2HD2  ASN  90          1HD2      ASN  90  -9.648   6.856   6.856
  705    H    TYR  91           H        TYR  91  -7.922   6.838   6.838
  706    HA   TYR  91           HA       TYR  91  -5.263   5.749   5.749
  707   1HB   TYR  91          2HB       TYR  91  -4.558   8.155   8.155
  708   2HB   TYR  91          1HB       TYR  91  -4.765   6.793   6.793
  709    HD1  TYR  91           HD1      TYR  91  -6.578   9.731   9.731
  710    HD2  TYR  91           HD2      TYR  91  -6.330   6.881   6.881
  711    HE1  TYR  91           HE1      TYR  91  -8.317  10.985  10.985
  712    HE2  TYR  91           HE2      TYR  91  -8.064   8.132   8.132
  713    HH   TYR  91           HH       TYR  91  -9.979  10.545  10.545
  714    H    ILE  92           H        ILE  92  -4.601   6.426   6.426
  715    HA   ILE  92           HA       ILE  92  -6.244   8.615   8.615
  716    HB   ILE  92           HB       ILE  92  -4.931   6.359   6.359
  717   1HG1  ILE  92          2HG1      ILE  92  -7.659   5.758   5.758
  718   2HG1  ILE  92          1HG1      ILE  92  -7.233   6.235   6.235
  719   1HG2  ILE  92          3HG2      ILE  92  -6.896   8.516   8.516
  720   2HG2  ILE  92          2HG2      ILE  92  -7.147   6.977   6.977
  721   3HG2  ILE  92          1HG2      ILE  92  -5.634   7.858   7.858
  722   1HD1  ILE  92          3HD1      ILE  92  -5.640   4.234   4.234
  723   2HD1  ILE  92          2HD1      ILE  92  -6.907   3.777   3.777
  724   3HD1  ILE  92          1HD1      ILE  92  -5.459   4.602   4.602
  725    H    CYS  93           H        CYS  93  -5.338   9.771   9.771
  726    HA   CYS  93           HA       CYS  93  -2.376  10.226  10.226
  727   1HB   CYS  93          2HB       CYS  93  -3.744  12.273  12.273
  728   2HB   CYS  93          1HB       CYS  93  -4.568  11.916  11.916
  729    H    VAL  94           H        VAL  94  -1.359   8.897   8.897
  730    HA   VAL  94           HA       VAL  94  -2.555   8.412   8.412
  731    HB   VAL  94           HB       VAL  94  -1.543   6.201   6.201
  732   1HG1  VAL  94          1HG1      VAL  94  -2.917   6.976   6.976
  733   2HG1  VAL  94          3HG1      VAL  94  -2.661   5.313   5.313
  734   3HG1  VAL  94          2HG1      VAL  94  -3.691   6.386   6.386
  735   1HG2  VAL  94          1HG2      VAL  94   0.242   7.426   7.426
  736   2HG2  VAL  94          3HG2      VAL  94   0.303   5.782   5.782
  737   3HG2  VAL  94          2HG2      VAL  94  -0.579   6.128   6.128
  738    H    LYS  95           H        LYS  95  -0.634   7.451   7.451
  739    HA   LYS  95           HA       LYS  95   1.841   9.019   9.019
  740   1HB   LYS  95          2HB       LYS  95  -0.138   9.352   9.352
  741   2HB   LYS  95          1HB       LYS  95   1.583   9.573   9.573
  742   1HG   LYS  95          2HG       LYS  95   1.693  11.209  11.209
  743   2HG   LYS  95          1HG       LYS  95  -0.049  11.039  11.039
  744   1HD   LYS  95          2HD       LYS  95   0.387  13.006  13.006
  745   2HD   LYS  95          1HD       LYS  95  -0.370  11.772  11.772
  746   1HE   LYS  95          2HE       LYS  95   1.630  11.273  11.273
  747   2HE   LYS  95          1HE       LYS  95   2.631  11.958  11.958
  748   1HZ   LYS  95          1HZ       LYS  95   1.467  14.141  14.141
  749   2HZ   LYS  95          3HZ       LYS  95   1.055  13.358  13.358
  750   3HZ   LYS  95          2HZ       LYS  95   2.688  13.564  13.564
  751    H    CYS  96           H        CYS  96   3.640   8.079   8.079
  752    HA   CYS  96           HA       CYS  96   3.078   5.312   5.312
  753   1HB   CYS  96          2HB       CYS  96   5.802   6.095   6.095
  754   2HB   CYS  96          1HB       CYS  96   4.995   4.533   4.533
  755    H    GLU  97           H        GLU  97   3.318   5.048   5.048
  756    HA   GLU  97           HA       GLU  97   5.654   6.284   6.284
  757   1HB   GLU  97          2HB       GLU  97   3.664   7.425   7.425
  758   2HB   GLU  97          1HB       GLU  97   2.868   5.883   5.883
  759   1HG   GLU  97          2HG       GLU  97   4.243   5.389   5.389
  760   2HG   GLU  97          1HG       GLU  97   5.556   6.409   6.409
  761    H    ASN  98           H        ASN  98   6.749   4.692   4.692
  762    HA   ASN  98           HA       ASN  98   7.415   2.458   2.458
  763   1HB   ASN  98          2HB       ASN  98   4.434   2.402   2.402
  764   2HB   ASN  98          1HB       ASN  98   5.259   0.848   0.848
  765   1HD2  ASN  98          2HD2      ASN  98   6.281   3.213   3.213
  766   2HD2  ASN  98          1HD2      ASN  98   5.977   3.951   3.951
  767    H    GLN  99           H        GLN  99   6.635   3.516   3.516
  768    HA   GLN  99           HA       GLN  99   6.998   2.848   2.848
  769   1HB   GLN  99          2HB       GLN  99   7.686   0.183   0.183
  770   2HB   GLN  99          1HB       GLN  99   7.774   0.476   0.476
  771   1HG   GLN  99          2HG       GLN  99   9.141   2.640   2.640
  772   2HG   GLN  99          1HG       GLN  99   9.535   1.464   1.464
  773   1HE2  GLN  99          2HE2      GLN  99  12.104   0.341   0.341
  774   2HE2  GLN  99          1HE2      GLN  99  11.712   1.057   1.057
  775    H    TYR 100           H        TYR 100   4.466   1.647   1.647
  776    HA   TYR 100           HA       TYR 100   3.161   0.540   0.540
  777   1HB   TYR 100          2HB       TYR 100   2.080  -1.004  -1.004
  778   2HB   TYR 100          1HB       TYR 100   3.243  -0.614  -0.614
  779    HD1  TYR 100           HD2      TYR 100  -0.159   0.428   0.428
  780    HD2  TYR 100           HD1      TYR 100   2.468   0.139   0.139
  781    HE1  TYR 100           HE2      TYR 100  -2.010   1.166   1.166
  782    HE2  TYR 100           HE1      TYR 100   0.611   0.862   0.862
  783    HH   TYR 100           HH       TYR 100  -1.502   2.143   2.143
  784    HA   PRO 101           HA       PRO 101   0.781   4.212   4.212
  785   1HB   PRO 101          2HB       PRO 101  -1.692   3.201   3.201
  786   2HB   PRO 101          1HB       PRO 101  -0.338   3.420   3.420
  787   1HG   PRO 101          2HG       PRO 101  -1.303   0.904   0.904
  788   2HG   PRO 101          1HG       PRO 101  -0.626   1.123   1.123
  789   1HD   PRO 101          2HD       PRO 101   0.847   0.105   0.105
  790   2HD   PRO 101          1HD       PRO 101   1.572   1.041   1.041
  791    H    VAL 102           H        VAL 102   0.908   4.667   4.667
  792    HA   VAL 102           HA       VAL 102  -1.066   3.539   3.539
  793    HB   VAL 102           HB       VAL 102   1.101   5.639   5.639
  794   1HG1  VAL 102          3HG1      VAL 102  -0.751   4.477   4.477
  795   2HG1  VAL 102          2HG1      VAL 102   0.699   5.415   5.415
  796   3HG1  VAL 102          1HG1      VAL 102  -0.647   6.168   6.168
  797   1HG2  VAL 102          2HG2      VAL 102   1.407   2.972   2.972
  798   2HG2  VAL 102          1HG2      VAL 102   2.440   3.960   3.960
  799   3HG2  VAL 102          3HG2      VAL 102   1.092   3.075   3.075
  800    H    HIS 103           H        HIS 103  -0.802   6.338   6.338
  801    HA   HIS 103           HA       HIS 103  -3.259   7.408   7.408
  802   1HB   HIS 103          2HB       HIS 103  -1.738   9.572   9.572
  803   2HB   HIS 103          1HB       HIS 103  -2.248   9.393   9.393
  804    HD1  HIS 103           HD1      HIS 103  -0.262   9.457   9.457
  805    HD2  HIS 103           HD2      HIS 103   0.710   7.658   7.658
  806    HE1  HIS 103           HE1      HIS 103   2.174   8.716   8.716
  807    H    PHE 104           H        PHE 104  -4.883   7.678   7.678
  808    HA   PHE 104           HA       PHE 104  -4.152   7.711   7.711
  809   1HB   PHE 104          2HB       PHE 104  -5.837   5.893   5.893
  810   2HB   PHE 104          1HB       PHE 104  -6.806   6.744   6.744
  811    HD1  PHE 104           HD1      PHE 104  -3.264   5.491   5.491
  812    HD2  PHE 104           HD2      PHE 104  -7.053   5.466   5.466
  813    HE1  PHE 104           HE1      PHE 104  -2.322   4.036   4.036
  814    HE2  PHE 104           HE2      PHE 104  -6.113   3.992   3.992
  815    HZ   PHE 104           HZ       PHE 104  -3.748   3.267   3.267
  816    H    ALA 105           H        ALA 105  -4.766   9.599   9.599
  817    HA   ALA 105           HA       ALA 105  -6.737  11.339  11.339
  818   1HB   ALA 105          1HB       ALA 105  -4.320  11.894  11.894
  819   2HB   ALA 105          3HB       ALA 105  -5.492  12.412  12.412
  820   3HB   ALA 105          2HB       ALA 105  -5.551  13.085  13.085
  821    H    GLY 106           H        GLY 106  -6.310   9.571   9.571
  822   1HA   GLY 106          2HA       GLY 106  -8.224   8.793   8.793
  823   2HA   GLY 106          1HA       GLY 106  -9.176  10.106  10.106
  824    H    ILE 107           H        ILE 107  -9.060   9.626   9.626
  825    HA   ILE 107           HA       ILE 107  -8.760  10.748  10.748
  826    HB   ILE 107           HB       ILE 107  -8.218  13.122  13.122
  827   1HG1  ILE 107          2HG1      ILE 107 -10.854  12.152  12.152
  828   2HG1  ILE 107          1HG1      ILE 107 -10.336  11.834  11.834
  829   1HG2  ILE 107          3HG2      ILE 107  -7.965  12.978  12.978
  830   2HG2  ILE 107          2HG2      ILE 107  -9.665  13.417  13.417
  831   3HG2  ILE 107          1HG2      ILE 107  -8.422  14.443  14.443
  832   1HD1  ILE 107          1HD1      ILE 107 -10.003  14.636  14.636
  833   2HD1  ILE 107          3HD1      ILE 107 -11.625  14.168  14.168
  834   3HD1  ILE 107          2HD1      ILE 107 -11.099  13.853  13.853
  835    H    GLY 108           H        GLY 108  -7.065  10.539  10.539
  836   1HA   GLY 108          2HA       GLY 108  -4.312  10.663  10.663
  837   2HA   GLY 108          1HA       GLY 108  -4.794  10.218  10.218
  838    H    ARG 109           H        ARG 109  -4.356  12.976  12.976
  839    HA   ARG 109           HA       ARG 109  -3.314  14.631  14.631
  840   1HB   ARG 109          2HB       ARG 109  -6.115  14.715  14.715
  841   2HB   ARG 109          1HB       ARG 109  -5.422  16.219  16.219
  842   1HG   ARG 109          2HG       ARG 109  -4.835  15.140  15.140
  843   2HG   ARG 109          1HG       ARG 109  -6.155  16.264  16.264
  844   1HD   ARG 109          2HD       ARG 109  -4.193  17.596  17.596
  845   2HD   ARG 109          1HD       ARG 109  -3.208  16.728  16.728
  846    HE   ARG 109           HE       ARG 109  -4.215  18.013  18.013
  847   1HH1  ARG 109          1HH2      ARG 109  -6.944  18.071  18.071
  848   2HH1  ARG 109          2HH2      ARG 109  -7.418  19.537  19.537
  849   1HH2  ARG 109          2HH1      ARG 109  -4.320  20.052  20.052
  850   2HH2  ARG 109          1HH1      ARG 109  -5.931  20.659  20.659
  851    H    CYS 110           H        CYS 110  -1.480  14.924  14.924
  852    HA   CYS 110           HA       CYS 110  -1.480  17.031  17.031
  853   1HB   CYS 110          2HB       CYS 110  -1.036  15.742  15.742
  854   2HB   CYS 110          1HB       CYS 110  -2.639  15.409  15.409
  855    HA   PRO 111           HA       PRO 111   2.845  16.486  16.486
  856   1HB   PRO 111          2HB       PRO 111   4.066  17.913  17.913
  857   2HB   PRO 111          1HB       PRO 111   3.237  18.670  18.670
  858   1HG   PRO 111          2HG       PRO 111   2.334  18.407  18.407
  859   2HG   PRO 111          1HG       PRO 111   1.943  19.658  19.658
  860   1HD   PRO 111          1HD       PRO 111   0.263  17.536  17.536
  861   2HD   PRO 111          2HD       PRO 111   0.082  18.547  18.547

  Start of MODEL    8
    1    HN   PCA   1           HN       PCA   1  -2.057   4.470   4.470
    2    HA   PCA   1           HA       PCA   1  -4.242   3.196   3.196
    3   1HB   PCA   1          1HB       PCA   1  -5.144   3.502   3.502
    4   2HB   PCA   1          2HB       PCA   1  -3.688   2.846   2.846
    5   1HG   PCA   1          1HG       PCA   1  -4.494   5.611   5.611
    6   2HG   PCA   1          2HG       PCA   1  -3.119   4.955   4.955
    7    H    ASN   2           H        ASN   2  -4.194   0.943   0.943
    8    HA   ASN   2           HA       ASN   2  -1.449  -0.218  -0.218
    9   1HB   ASN   2          2HB       ASN   2  -2.687  -0.811  -0.811
   10   2HB   ASN   2          1HB       ASN   2  -4.069  -1.331  -1.331
   11   1HD2  ASN   2          2HD2      ASN   2  -2.830  -4.625  -4.625
   12   2HD2  ASN   2          1HD2      ASN   2  -4.168  -3.588  -3.588
   13    H    TRP   3           H        TRP   3  -1.330  -2.376  -2.376
   14    HA   TRP   3           HA       TRP   3  -2.160  -2.029  -2.029
   15   1HB   TRP   3          2HB       TRP   3  -0.358  -3.684  -3.684
   16   2HB   TRP   3          1HB       TRP   3  -1.477  -4.787  -4.787
   17    HD1  TRP   3           HD1      TRP   3   1.697  -3.439  -3.439
   18    HE1  TRP   3           HE1      TRP   3   2.413  -3.406  -3.406
   19    HE3  TRP   3           HE3      TRP   3  -2.887  -3.805  -3.805
   20    HZ2  TRP   3           HZ2      TRP   3   1.255  -3.539  -3.539
   21    HZ3  TRP   3           HZ3      TRP   3  -3.014  -3.874  -3.874
   22    HH2  TRP   3           HH2      TRP   3  -0.946  -3.741  -3.741
   23    H    ALA   4           H        ALA   4  -3.663  -3.670  -3.670
   24    HA   ALA   4           HA       ALA   4  -5.380  -5.426  -5.426
   25   1HB   ALA   4          1HB       ALA   4  -4.628  -5.308  -5.308
   26   2HB   ALA   4          3HB       ALA   4  -6.308  -4.777  -4.777
   27   3HB   ALA   4          2HB       ALA   4  -5.903  -6.339  -6.339
   28    H    THR   5           H        THR   5  -6.207  -2.644  -2.644
   29    HA   THR   5           HA       THR   5  -8.868  -2.294  -2.294
   30    HB   THR   5           HB       THR   5  -8.295   0.206   0.206
   31    HG1  THR   5           HG1      THR   5  -6.051  -0.310  -0.310
   32   1HG2  THR   5          1HG2      THR   5  -9.575  -1.937  -1.937
   33   2HG2  THR   5          3HG2      THR   5  -8.296  -1.681  -1.681
   34   3HG2  THR   5          2HG2      THR   5  -9.419  -0.377  -0.377
   35    H    PHE   6           H        PHE   6  -5.709  -1.133  -1.133
   36    HA   PHE   6           HA       PHE   6  -6.682   0.644   0.644
   37   1HB   PHE   6          2HB       PHE   6  -4.436   0.886   0.886
   38   2HB   PHE   6          1HB       PHE   6  -3.965  -0.593  -0.593
   39    HD1  PHE   6           HD1      PHE   6  -4.193  -0.696  -0.696
   40    HD2  PHE   6           HD2      PHE   6  -4.434   3.003   3.003
   41    HE1  PHE   6           HE1      PHE   6  -3.803   0.555   0.555
   42    HE2  PHE   6           HE2      PHE   6  -4.053   4.264   4.264
   43    HZ   PHE   6           HZ       PHE   6  -3.745   3.035   3.035
   44    H    GLN   7           H        GLN   7  -5.966  -2.767  -2.767
   45    HA   GLN   7           HA       GLN   7  -5.640  -3.512  -3.512
   46   1HB   GLN   7          2HB       GLN   7  -5.555  -5.128  -5.128
   47   2HB   GLN   7          1HB       GLN   7  -7.317  -5.056  -5.056
   48   1HG   GLN   7          2HG       GLN   7  -7.310  -5.729  -5.729
   49   2HG   GLN   7          1HG       GLN   7  -5.587  -6.056  -6.056
   50   1HE2  GLN   7          2HE2      GLN   7  -6.065  -9.078  -9.078
   51   2HE2  GLN   7          1HE2      GLN   7  -4.947  -7.926  -7.926
   52    H    GLN   8           H        GLN   8  -8.457  -2.572  -2.572
   53    HA   GLN   8           HA       GLN   8 -10.373  -3.121  -3.121
   54   1HB   GLN   8          2HB       GLN   8 -10.432  -2.039  -2.039
   55   2HB   GLN   8          1HB       GLN   8 -11.618  -1.330  -1.330
   56   1HG   GLN   8          2HG       GLN   8 -12.793  -3.175  -3.175
   57   2HG   GLN   8          1HG       GLN   8 -12.048  -3.845  -3.845
   58   1HE2  GLN   8          2HE2      GLN   8 -11.198  -5.519  -5.519
   59   2HE2  GLN   8          1HE2      GLN   8 -12.495  -4.453  -4.453
   60    H    LYS   9           H        LYS   9  -8.659  -0.339  -0.339
   61    HA   LYS   9           HA       LYS   9  -9.720   1.830   1.830
   62   1HB   LYS   9          2HB       LYS   9  -7.869   1.966   1.966
   63   2HB   LYS   9          1HB       LYS   9  -6.747   1.368   1.368
   64   1HG   LYS   9          2HG       LYS   9  -6.458   3.633   3.633
   65   2HG   LYS   9          1HG       LYS   9  -7.800   3.379   3.379
   66   1HD   LYS   9          2HD       LYS   9  -8.354   4.007   4.007
   67   2HD   LYS   9          1HD       LYS   9  -7.953   5.310   5.310
   68   1HE   LYS   9          2HE       LYS   9  -9.794   3.959   3.959
   69   2HE   LYS   9          1HE       LYS   9 -10.395   3.636   3.636
   70   1HZ   LYS   9          1HZ       LYS   9 -10.046   6.139   6.139
   71   2HZ   LYS   9          3HZ       LYS   9 -10.019   6.231   6.231
   72   3HZ   LYS   9          2HZ       LYS   9 -11.395   5.630   5.630
   73    H    HIS  10           H        HIS  10  -7.091  -0.208  -0.208
   74    HA   HIS  10           HA       HIS  10  -7.605   0.990   0.990
   75   1HB   HIS  10          2HB       HIS  10  -5.252  -0.191  -0.191
   76   2HB   HIS  10          1HB       HIS  10  -5.547  -0.892  -0.892
   77    HD1  HIS  10           HD1      HIS  10  -6.359   1.308   1.308
   78    HD2  HIS  10           HD2      HIS  10  -3.481   1.869   1.869
   79    HE1  HIS  10           HE1      HIS  10  -4.921   3.253   3.253
   80    H    ILE  11           H        ILE  11  -8.386  -1.897  -1.897
   81    HA   ILE  11           HA       ILE  11  -9.289  -3.106  -3.106
   82    HB   ILE  11           HB       ILE  11  -7.894  -4.699  -4.699
   83   1HG1  ILE  11          2HG1      ILE  11  -6.369  -3.005  -3.005
   84   2HG1  ILE  11          1HG1      ILE  11  -5.896  -4.670  -4.670
   85   1HG2  ILE  11          1HG2      ILE  11  -9.338  -5.363  -5.363
   86   2HG2  ILE  11          3HG2      ILE  11  -7.684  -5.976  -5.976
   87   3HG2  ILE  11          2HG2      ILE  11  -8.755  -6.421  -6.421
   88   1HD1  ILE  11          3HD1      ILE  11  -7.728  -3.655  -3.655
   89   2HD1  ILE  11          2HD1      ILE  11  -6.252  -2.697  -2.697
   90   3HD1  ILE  11          1HD1      ILE  11  -6.157  -4.430  -4.430
   91    H    ILE  12           H        ILE  12 -11.460  -2.595  -2.595
   92    HA   ILE  12           HA       ILE  12 -12.636  -4.152  -4.152
   93    HB   ILE  12           HB       ILE  12 -14.003  -2.241  -2.241
   94   1HG1  ILE  12          2HG1      ILE  12 -12.227  -1.091  -1.091
   95   2HG1  ILE  12          1HG1      ILE  12 -13.844  -0.532  -0.532
   96   1HG2  ILE  12          3HG2      ILE  12 -15.406  -3.935  -3.935
   97   2HG2  ILE  12          2HG2      ILE  12 -14.882  -3.212  -3.212
   98   3HG2  ILE  12          1HG2      ILE  12 -15.825  -2.263  -2.263
   99   1HD1  ILE  12          2HD1      ILE  12 -13.850  -2.091  -2.091
  100   2HD1  ILE  12          1HD1      ILE  12 -12.206  -2.579  -2.579
  101   3HD1  ILE  12          3HD1      ILE  12 -12.533  -0.922  -0.922
  102    H    ASN  13           H        ASN  13 -11.799  -5.996  -5.996
  103    HA   ASN  13           HA       ASN  13 -12.992  -6.530  -6.530
  104   1HB   ASN  13          2HB       ASN  13 -12.072  -8.795  -8.795
  105   2HB   ASN  13          1HB       ASN  13 -10.887  -7.575  -7.575
  106   1HD2  ASN  13          2HD2      ASN  13 -11.249 -10.380 -10.380
  107   2HD2  ASN  13          1HD2      ASN  13 -11.183 -10.463 -10.463
  108    H    THR  14           H        THR  14 -15.217  -6.152  -6.152
  109    HA   THR  14           HA       THR  14 -16.763  -8.542  -8.542
  110    HB   THR  14           HB       THR  14 -18.281  -7.023  -7.023
  111    HG1  THR  14           HG1      THR  14 -17.198  -5.124  -5.124
  112   1HG2  THR  14          2HG2      THR  14 -16.329  -8.973  -8.973
  113   2HG2  THR  14          1HG2      THR  14 -15.957  -7.685  -7.685
  114   3HG2  THR  14          3HG2      THR  14 -17.557  -8.421  -8.421
  115    HA   PRO  15           HA       PRO  15 -18.196  -5.497  -5.497
  116   1HB   PRO  15          2HB       PRO  15 -17.909  -7.178  -7.178
  117   2HB   PRO  15          1HB       PRO  15 -16.655  -6.060  -6.060
  118   1HG   PRO  15          2HG       PRO  15 -16.808  -9.020  -9.020
  119   2HG   PRO  15          1HG       PRO  15 -15.385  -7.968  -7.968
  120   1HD   PRO  15          2HD       PRO  15 -16.522  -9.091  -9.091
  121   2HD   PRO  15          1HD       PRO  15 -15.344  -7.763  -7.763
  122    H    ILE  16           H        ILE  16 -20.211  -5.848  -5.848
  123    HA   ILE  16           HA       ILE  16 -22.019  -7.765  -7.765
  124    HB   ILE  16           HB       ILE  16 -23.197  -8.051  -8.051
  125   1HG1  ILE  16          2HG1      ILE  16 -20.561  -6.979  -6.979
  126   2HG1  ILE  16          1HG1      ILE  16 -22.076  -6.079  -6.079
  127   1HG2  ILE  16          2HG2      ILE  16 -20.364  -9.057  -9.057
  128   2HG2  ILE  16          1HG2      ILE  16 -21.483  -9.705  -9.705
  129   3HG2  ILE  16          3HG2      ILE  16 -21.852  -9.848  -9.848
  130   1HD1  ILE  16          2HD1      ILE  16 -21.654  -8.778  -8.778
  131   2HD1  ILE  16          1HD1      ILE  16 -21.633  -7.233  -7.233
  132   3HD1  ILE  16          3HD1      ILE  16 -23.117  -7.798  -7.798
  133    H    ILE  17           H        ILE  17 -24.411  -7.062  -7.062
  134    HA   ILE  17           HA       ILE  17 -24.650  -4.193  -4.193
  135    HB   ILE  17           HB       ILE  17 -27.065  -4.732  -4.732
  136   1HG1  ILE  17          2HG1      ILE  17 -26.601  -7.647  -7.647
  137   2HG1  ILE  17          1HG1      ILE  17 -26.570  -6.769  -6.769
  138   1HG2  ILE  17          3HG2      ILE  17 -24.968  -6.426  -6.426
  139   2HG2  ILE  17          2HG2      ILE  17 -26.667  -6.554  -6.554
  140   3HG2  ILE  17          1HG2      ILE  17 -25.820  -5.017  -5.017
  141   1HD1  ILE  17          3HD1      ILE  17 -28.748  -5.637  -5.637
  142   2HD1  ILE  17          2HD1      ILE  17 -28.815  -7.000  -7.000
  143   3HD1  ILE  17          1HD1      ILE  17 -28.846  -7.283  -7.283
  144    H    ASN  18           H        ASN  18 -23.676  -4.997  -4.997
  145    HA   ASN  18           HA       ASN  18 -25.649  -3.491  -3.491
  146   1HB   ASN  18          2HB       ASN  18 -24.449  -6.151  -6.151
  147   2HB   ASN  18          1HB       ASN  18 -25.535  -5.140  -5.140
  148   1HD2  ASN  18          2HD2      ASN  18 -28.436  -6.000  -6.000
  149   2HD2  ASN  18          1HD2      ASN  18 -27.765  -4.751  -4.751
  150    H    CYS  19           H        CYS  19 -24.195  -1.757  -1.757
  151    HA   CYS  19           HA       CYS  19 -21.378  -2.181  -2.181
  152   1HB   CYS  19          2HB       CYS  19 -22.871   0.461   0.461
  153   2HB   CYS  19          1HB       CYS  19 -21.134   0.202   0.202
  154    H    ASN  20           H        ASN  20 -24.217  -2.265  -2.265
  155    HA   ASN  20           HA       ASN  20 -23.245  -0.803  -0.803
  156   1HB   ASN  20          2HB       ASN  20 -25.265  -1.868  -1.868
  157   2HB   ASN  20          1HB       ASN  20 -25.622  -0.844  -0.844
  158   1HD2  ASN  20          2HD2      ASN  20 -26.445  -4.834  -4.834
  159   2HD2  ASN  20          1HD2      ASN  20 -25.647  -4.164  -4.164
  160    H    THR  21           H        THR  21 -23.781  -4.286  -4.286
  161    HA   THR  21           HA       THR  21 -22.757  -5.234  -5.234
  162    HB   THR  21           HB       THR  21 -22.681  -6.734  -6.734
  163    HG1  THR  21           HG1      THR  21 -24.772  -7.329  -7.329
  164   1HG2  THR  21          1HG2      THR  21 -21.848  -7.424  -7.424
  165   2HG2  THR  21          3HG2      THR  21 -23.410  -8.213  -8.213
  166   3HG2  THR  21          2HG2      THR  21 -22.099  -8.518  -8.518
  167    H    ILE  22           H        ILE  22 -21.099  -4.005  -4.005
  168    HA   ILE  22           HA       ILE  22 -18.550  -5.278  -5.278
  169    HB   ILE  22           HB       ILE  22 -17.610  -4.022  -4.022
  170   1HG1  ILE  22          2HG1      ILE  22 -20.428  -2.970  -2.970
  171   2HG1  ILE  22          1HG1      ILE  22 -19.104  -2.008  -2.008
  172   1HG2  ILE  22          1HG2      ILE  22 -20.221  -5.483  -5.483
  173   2HG2  ILE  22          3HG2      ILE  22 -19.096  -5.064  -5.064
  174   3HG2  ILE  22          2HG2      ILE  22 -18.597  -6.167  -6.167
  175   1HD1  ILE  22          3HD1      ILE  22 -17.915  -2.974  -2.974
  176   2HD1  ILE  22          2HD1      ILE  22 -19.589  -2.910  -2.910
  177   3HD1  ILE  22          1HD1      ILE  22 -18.799  -1.448  -1.448
  178    H    MET  23           H        MET  23 -20.064  -2.071  -2.071
  179    HA   MET  23           HA       MET  23 -17.656  -0.973  -0.973
  180   1HB   MET  23          2HB       MET  23 -18.794   1.177   1.177
  181   2HB   MET  23          1HB       MET  23 -18.898   0.403   0.403
  182   1HG   MET  23          2HG       MET  23 -21.186  -0.509  -0.509
  183   2HG   MET  23          1HG       MET  23 -21.063   0.752   0.752
  184   1HE   MET  23          1HE       MET  23 -22.339   2.342   2.342
  185   2HE   MET  23          3HE       MET  23 -21.243   3.589   3.589
  186   3HE   MET  23          2HE       MET  23 -22.837   3.378   3.378
  187    H    ASP  24           H        ASP  24 -19.870  -2.996  -2.996
  188    HA   ASP  24           HA       ASP  24 -21.021  -1.678  -1.678
  189   1HB   ASP  24          2HB       ASP  24 -20.538  -4.544  -4.544
  190   2HB   ASP  24          1HB       ASP  24 -21.045  -4.181  -4.181
  191    H    ASN  25           H        ASN  25 -19.311  -0.488  -0.488
  192    HA   ASN  25           HA       ASN  25 -17.753  -1.875  -1.875
  193   1HB   ASN  25          2HB       ASN  25 -16.427  -2.388  -2.388
  194   2HB   ASN  25          1HB       ASN  25 -16.196  -0.670  -0.670
  195   1HD2  ASN  25          2HD2      ASN  25 -13.181  -1.219  -1.219
  196   2HD2  ASN  25          1HD2      ASN  25 -13.840  -0.979  -0.979
  197    H    ASN  26           H        ASN  26 -16.763  -0.387  -0.387
  198    HA   ASN  26           HA       ASN  26 -17.937   2.273   2.273
  199   1HB   ASN  26          2HB       ASN  26 -15.623   1.158   1.158
  200   2HB   ASN  26          1HB       ASN  26 -16.600   2.569   2.569
  201   1HD2  ASN  26          2HD2      ASN  26 -17.856  -0.924  -0.924
  202   2HD2  ASN  26          1HD2      ASN  26 -16.252  -0.545  -0.545
  203    H    ILE  27           H        ILE  27 -15.247   1.030   1.030
  204    HA   ILE  27           HA       ILE  27 -13.724   3.551   3.551
  205    HB   ILE  27           HB       ILE  27 -12.944   0.951   0.951
  206   1HG1  ILE  27          2HG1      ILE  27 -11.537   2.856   2.856
  207   2HG1  ILE  27          1HG1      ILE  27 -10.722   1.847   1.847
  208   1HG2  ILE  27          3HG2      ILE  27 -13.873   1.059   1.059
  209   2HG2  ILE  27          2HG2      ILE  27 -12.408   1.979   1.979
  210   3HG2  ILE  27          1HG2      ILE  27 -12.292   0.332   0.332
  211   1HD1  ILE  27          1HD1      ILE  27 -11.667   3.452   3.452
  212   2HD1  ILE  27          3HD1      ILE  27 -12.059   4.524   4.524
  213   3HD1  ILE  27          2HD1      ILE  27 -10.381   4.082   4.082
  214    H    TYR  28           H        TYR  28 -16.525   2.975   2.975
  215    HA   TYR  28           HA       TYR  28 -15.862   4.625   4.625
  216   1HB   TYR  28          2HB       TYR  28 -17.322   1.979   1.979
  217   2HB   TYR  28          1HB       TYR  28 -17.636   3.164   3.164
  218    HD1  TYR  28           HD2      TYR  28 -15.361   4.277   4.277
  219    HD2  TYR  28           HD1      TYR  28 -15.713   0.378   0.378
  220    HE1  TYR  28           HE2      TYR  28 -13.323   3.549   3.549
  221    HE2  TYR  28           HE1      TYR  28 -13.666  -0.346  -0.346
  222    HH   TYR  28           HH       TYR  28 -12.448   1.067   1.067
  223    H    ILE  29           H        ILE  29 -16.914   6.005   6.005
  224    HA   ILE  29           HA       ILE  29 -19.738   6.475   6.475
  225    HB   ILE  29           HB       ILE  29 -19.012   6.132   6.132
  226   1HG1  ILE  29          2HG1      ILE  29 -20.499   4.207   4.207
  227   2HG1  ILE  29          1HG1      ILE  29 -18.861   3.964   3.964
  228   1HG2  ILE  29          2HG2      ILE  29 -21.435   6.899   6.899
  229   2HG2  ILE  29          1HG2      ILE  29 -21.686   5.866   5.866
  230   3HG2  ILE  29          3HG2      ILE  29 -20.907   7.435   7.435
  231   1HD1  ILE  29          1HD1      ILE  29 -20.881   4.578   4.578
  232   2HD1  ILE  29          3HD1      ILE  29 -21.068   3.020   3.020
  233   3HD1  ILE  29          2HD1      ILE  29 -19.559   3.414   3.414
  234    H    VAL  30           H        VAL  30 -20.442   8.558   8.558
  235    HA   VAL  30           HA       VAL  30 -18.382  10.485  10.485
  236    HB   VAL  30           HB       VAL  30 -19.080  10.526  10.526
  237   1HG1  VAL  30          1HG1      VAL  30 -21.528  10.371  10.371
  238   2HG1  VAL  30          3HG1      VAL  30 -21.464  12.012  12.012
  239   3HG1  VAL  30          2HG1      VAL  30 -21.076  11.712  11.712
  240   1HG2  VAL  30          1HG2      VAL  30 -18.245  12.501  12.501
  241   2HG2  VAL  30          3HG2      VAL  30 -18.178  12.578  12.578
  242   3HG2  VAL  30          2HG2      VAL  30 -19.559  13.259  13.259
  243    H    GLY  31           H        GLY  31 -20.201  12.703  12.703
  244   1HA   GLY  31          2HA       GLY  31 -21.622  11.653  11.653
  245   2HA   GLY  31          1HA       GLY  31 -21.194  13.334  13.334
  246    H    GLY  32           H        GLY  32 -23.294  10.804  10.804
  247   1HA   GLY  32          2HA       GLY  32 -25.669  12.405  12.405
  248   2HA   GLY  32          1HA       GLY  32 -25.114  12.446  12.446
  249    H    GLN  33           H        GLN  33 -24.530  10.197  10.197
  250    HA   GLN  33           HA       GLN  33 -25.872   7.840   7.840
  251   1HB   GLN  33          2HB       GLN  33 -27.090   9.402   9.402
  252   2HB   GLN  33          1HB       GLN  33 -27.306   7.655   7.655
  253   1HG   GLN  33          2HG       GLN  33 -27.998   8.194   8.194
  254   2HG   GLN  33          1HG       GLN  33 -28.292   9.813   9.813
  255   1HE2  GLN  33          2HE2      GLN  33 -30.725   6.723   6.723
  256   2HE2  GLN  33          1HE2      GLN  33 -29.253   6.393   6.393
  257    H    CYS  34           H        CYS  34 -25.173   9.131   9.131
  258    HA   CYS  34           HA       CYS  34 -22.911   7.219   7.219
  259   1HB   CYS  34          2HB       CYS  34 -23.728   6.679   6.679
  260   2HB   CYS  34          1HB       CYS  34 -24.811   6.099   6.099
  261    H    LYS  35           H        LYS  35 -21.246   8.036   8.036
  262    HA   LYS  35           HA       LYS  35 -20.978  10.876  10.876
  263   1HB   LYS  35          2HB       LYS  35 -19.460   8.509   8.509
  264   2HB   LYS  35          1HB       LYS  35 -19.151  10.049  10.049
  265   1HG   LYS  35          2HG       LYS  35 -18.956  10.998  10.998
  266   2HG   LYS  35          1HG       LYS  35 -18.743   9.312   9.312
  267   1HD   LYS  35          2HD       LYS  35 -16.542   9.745   9.745
  268   2HD   LYS  35          1HD       LYS  35 -17.027   9.437   9.437
  269   1HE   LYS  35          2HE       LYS  35 -16.698  11.593  11.593
  270   2HE   LYS  35          1HE       LYS  35 -17.574  12.193  12.193
  271   1HZ   LYS  35          1HZ       LYS  35 -15.444  11.418  11.418
  272   2HZ   LYS  35          3HZ       LYS  35 -14.720  11.565  11.565
  273   3HZ   LYS  35          2HZ       LYS  35 -15.464  12.914  12.914
  274    H    ARG  36           H        ARG  36 -20.186  11.665  11.665
  275    HA   ARG  36           HA       ARG  36 -22.669  11.571  11.571
  276   1HB   ARG  36          2HB       ARG  36 -20.132  13.222  13.222
  277   2HB   ARG  36          1HB       ARG  36 -21.508  13.358  13.358
  278   1HG   ARG  36          2HG       ARG  36 -22.759  13.560  13.560
  279   2HG   ARG  36          1HG       ARG  36 -21.207  14.318  14.318
  280   1HD   ARG  36          2HD       ARG  36 -23.017  15.062  15.062
  281   2HD   ARG  36          1HD       ARG  36 -22.840  15.983  15.983
  282    HE   ARG  36           HE       ARG  36 -20.251  15.636  15.636
  283   1HH1  ARG  36          1HH2      ARG  36 -22.437  16.261  16.261
  284   2HH1  ARG  36          2HH2      ARG  36 -22.098  17.946  17.946
  285   1HH2  ARG  36          2HH1      ARG  36 -20.156  18.207  18.207
  286   2HH2  ARG  36          1HH1      ARG  36 -20.810  19.046  19.046
  287    H    VAL  37           H        VAL  37 -19.418  10.273  10.273
  288    HA   VAL  37           HA       VAL  37 -20.057   8.799   8.799
  289    HB   VAL  37           HB       VAL  37 -17.423  10.271  10.271
  290   1HG1  VAL  37          3HG1      VAL  37 -17.954   8.228   8.228
  291   2HG1  VAL  37          2HG1      VAL  37 -18.817   9.425   9.425
  292   3HG1  VAL  37          1HG1      VAL  37 -17.091   9.618   9.618
  293   1HG2  VAL  37          3HG2      VAL  37 -19.988  11.218  11.218
  294   2HG2  VAL  37          2HG2      VAL  37 -19.095  12.027  12.027
  295   3HG2  VAL  37          1HG2      VAL  37 -18.403  11.909  11.909
  296    H    ASN  38           H        ASN  38 -19.895   6.799   6.799
  297    HA   ASN  38           HA       ASN  38 -17.556   6.175   6.175
  298   1HB   ASN  38          2HB       ASN  38 -19.781   4.258   4.258
  299   2HB   ASN  38          1HB       ASN  38 -18.647   4.092   4.092
  300   1HD2  ASN  38          2HD2      ASN  38 -20.541   7.150   7.150
  301   2HD2  ASN  38          1HD2      ASN  38 -19.043   7.113   7.113
  302    H    THR  39           H        THR  39 -16.070   6.494   6.494
  303    HA   THR  39           HA       THR  39 -16.215   4.783   4.783
  304    HB   THR  39           HB       THR  39 -13.883   6.495   6.495
  305    HG1  THR  39           HG1      THR  39 -14.903   8.178   8.178
  306   1HG2  THR  39          1HG2      THR  39 -13.832   4.800   4.800
  307   2HG2  THR  39          3HG2      THR  39 -14.850   5.984   5.984
  308   3HG2  THR  39          2HG2      THR  39 -13.238   6.439   6.439
  309    H    PHE  40           H        PHE  40 -15.620   2.727   2.727
  310    HA   PHE  40           HA       PHE  40 -13.456   1.850   1.850
  311   1HB   PHE  40          2HB       PHE  40 -15.523   0.191   0.191
  312   2HB   PHE  40          1HB       PHE  40 -14.445  -0.375  -0.375
  313    HD1  PHE  40           HD1      PHE  40 -14.517   1.397   1.397
  314    HD2  PHE  40           HD2      PHE  40 -17.730   0.437   0.437
  315    HE1  PHE  40           HE1      PHE  40 -16.165   2.072   2.072
  316    HE2  PHE  40           HE2      PHE  40 -19.375   1.118   1.118
  317    HZ   PHE  40           HZ       PHE  40 -18.592   1.934   1.934
  318    H    ILE  41           H        ILE  41 -11.929   0.090   0.090
  319    HA   ILE  41           HA       ILE  41 -11.621   0.646   0.646
  320    HB   ILE  41           HB       ILE  41  -9.389   0.369   0.369
  321   1HG1  ILE  41          2HG1      ILE  41 -10.611   2.499   2.499
  322   2HG1  ILE  41          1HG1      ILE  41  -9.010   2.776   2.776
  323   1HG2  ILE  41          3HG2      ILE  41  -9.442   0.840   0.840
  324   2HG2  ILE  41          2HG2      ILE  41  -8.041   1.247   1.247
  325   3HG2  ILE  41          1HG2      ILE  41  -8.592  -0.425  -0.425
  326   1HD1  ILE  41          3HD1      ILE  41 -10.550   2.382   2.382
  327   2HD1  ILE  41          2HD1      ILE  41 -11.656   3.247   3.247
  328   3HD1  ILE  41          1HD1      ILE  41 -10.095   3.955   3.955
  329    H    ILE  42           H        ILE  42 -11.596  -1.142  -1.142
  330    HA   ILE  42           HA       ILE  42 -11.069  -3.780  -3.780
  331    HB   ILE  42           HB       ILE  42 -13.332  -3.554  -3.554
  332   1HG1  ILE  42          2HG1      ILE  42 -12.043  -5.363  -5.363
  333   2HG1  ILE  42          1HG1      ILE  42 -11.646  -5.664  -5.664
  334   1HG2  ILE  42          3HG2      ILE  42 -12.743  -1.896  -1.896
  335   2HG2  ILE  42          2HG2      ILE  42 -11.907  -3.169  -3.169
  336   3HG2  ILE  42          1HG2      ILE  42 -13.649  -3.264  -3.264
  337   1HD1  ILE  42          2HD1      ILE  42 -14.371  -5.261  -5.261
  338   2HD1  ILE  42          1HD1      ILE  42 -14.178  -6.095  -6.095
  339   3HD1  ILE  42          3HD1      ILE  42 -13.583  -6.838  -6.838
  340    H    SER  43           H        SER  43  -9.300  -4.851  -4.851
  341    HA   SER  43           HA       SER  43  -8.168  -5.187  -5.187
  342   1HB   SER  43          2HB       SER  43  -7.694  -2.785  -2.785
  343   2HB   SER  43          1HB       SER  43  -6.955  -2.830  -2.830
  344    HG   SER  43           HG       SER  43  -6.027  -3.837  -3.837
  345    H    SER  44           H        SER  44  -5.991  -6.233  -6.233
  346    HA   SER  44           HA       SER  44  -5.745  -7.956  -7.956
  347   1HB   SER  44          2HB       SER  44  -3.251  -8.097  -8.097
  348   2HB   SER  44          1HB       SER  44  -4.620  -8.859  -8.859
  349    HG   SER  44           HG       SER  44  -4.021  -7.664  -7.664
  350    H    ALA  45           H        ALA  45  -5.208  -7.453  -7.453
  351    HA   ALA  45           HA       ALA  45  -4.559  -5.075  -5.075
  352   1HB   ALA  45          2HB       ALA  45  -5.093  -7.106  -7.106
  353   2HB   ALA  45          1HB       ALA  45  -3.488  -7.747  -7.747
  354   3HB   ALA  45          3HB       ALA  45  -3.663  -6.307  -6.307
  355    H    THR  46           H        THR  46  -1.918  -7.446  -7.446
  356    HA   THR  46           HA       THR  46   0.132  -5.592  -5.592
  357    HB   THR  46           HB       THR  46   0.569  -7.927  -7.927
  358    HG1  THR  46           HG1      THR  46   2.054  -6.914  -6.914
  359   1HG2  THR  46          1HG2      THR  46  -0.545  -7.890  -7.890
  360   2HG2  THR  46          3HG2      THR  46   0.897  -8.892  -8.892
  361   3HG2  THR  46          2HG2      THR  46  -0.506  -9.201  -9.201
  362    H    THR  47           H        THR  47  -1.539  -6.078  -6.078
  363    HA   THR  47           HA       THR  47   0.374  -4.867  -4.867
  364    HB   THR  47           HB       THR  47  -2.655  -4.696  -4.696
  365    HG1  THR  47           HG1      THR  47  -0.809  -6.569  -6.569
  366   1HG2  THR  47          1HG2      THR  47  -1.049  -3.215  -3.215
  367   2HG2  THR  47          3HG2      THR  47  -0.672  -4.728  -4.728
  368   3HG2  THR  47          2HG2      THR  47  -2.328  -4.123  -4.123
  369    H    VAL  48           H        VAL  48  -1.993  -3.569  -3.569
  370    HA   VAL  48           HA       VAL  48  -1.625  -0.773  -0.773
  371    HB   VAL  48           HB       VAL  48  -2.529  -2.006  -2.006
  372   1HG1  VAL  48          3HG1      VAL  48  -1.945   0.645   0.645
  373   2HG1  VAL  48          2HG1      VAL  48  -3.697   0.546   0.546
  374   3HG1  VAL  48          1HG1      VAL  48  -2.935   0.087   0.087
  375   1HG2  VAL  48          1HG2      VAL  48  -3.876  -1.630  -1.630
  376   2HG2  VAL  48          3HG2      VAL  48  -4.173  -2.833  -2.833
  377   3HG2  VAL  48          2HG2      VAL  48  -4.813  -1.199  -1.199
  378    H    LYS  49           H        LYS  49  -0.211  -3.089  -3.089
  379    HA   LYS  49           HA       LYS  49   1.457  -1.333  -1.333
  380   1HB   LYS  49          2HB       LYS  49   0.973  -3.748  -3.748
  381   2HB   LYS  49          1HB       LYS  49   2.062  -4.213  -4.213
  382   1HG   LYS  49          2HG       LYS  49   3.868  -2.866  -2.866
  383   2HG   LYS  49          1HG       LYS  49   2.771  -2.640  -2.640
  384   1HD   LYS  49          2HD       LYS  49   2.690  -4.996  -4.996
  385   2HD   LYS  49          1HD       LYS  49   3.497  -5.373  -5.373
  386   1HE   LYS  49          2HE       LYS  49   4.961  -3.552  -3.552
  387   2HE   LYS  49          1HE       LYS  49   4.812  -5.230  -5.230
  388   1HZ   LYS  49          3HZ       LYS  49   5.647  -4.577  -4.577
  389   2HZ   LYS  49          2HZ       LYS  49   6.778  -4.582  -4.582
  390   3HZ   LYS  49          1HZ       LYS  49   5.918  -5.997  -5.997
  391    H    ALA  50           H        ALA  50   1.676  -2.508  -2.508
  392    HA   ALA  50           HA       ALA  50   4.540  -2.000  -2.000
  393   1HB   ALA  50          3HB       ALA  50   2.387  -3.163  -3.163
  394   2HB   ALA  50          2HB       ALA  50   3.493  -2.158  -2.158
  395   3HB   ALA  50          1HB       ALA  50   4.114  -3.516  -3.516
  396    H    ILE  51           H        ILE  51   1.487  -0.307  -0.307
  397    HA   ILE  51           HA       ILE  51   2.727   1.787   1.787
  398    HB   ILE  51           HB       ILE  51   0.300   1.273   1.273
  399   1HG1  ILE  51          2HG1      ILE  51  -0.438   3.730   3.730
  400   2HG1  ILE  51          1HG1      ILE  51   1.214   4.061   4.061
  401   1HG2  ILE  51          2HG2      ILE  51   0.503   1.938   1.938
  402   2HG2  ILE  51          1HG2      ILE  51  -0.849   2.710   2.710
  403   3HG2  ILE  51          3HG2      ILE  51  -0.686   0.957   0.957
  404   1HD1  ILE  51          2HD1      ILE  51   0.455   2.673   2.673
  405   2HD1  ILE  51          1HD1      ILE  51   0.919   4.369   4.369
  406   3HD1  ILE  51          3HD1      ILE  51   2.088   3.103   3.103
  407    H    CYS  52           H        CYS  52   2.463   1.257   1.257
  408    HA   CYS  52           HA       CYS  52   3.340   4.043   4.043
  409   1HB   CYS  52          2HB       CYS  52   1.593   2.293   2.293
  410   2HB   CYS  52          1HB       CYS  52   3.033   2.400   2.400
  411    H    THR  53           H        THR  53   5.020   1.769   1.769
  412    HA   THR  53           HA       THR  53   7.011   1.217   1.217
  413    HB   THR  53           HB       THR  53   7.263   0.678   0.678
  414    HG1  THR  53           HG1      THR  53   6.127  -0.904  -0.904
  415   1HG2  THR  53          1HG2      THR  53   9.185   0.520   0.520
  416   2HG2  THR  53          3HG2      THR  53   8.400  -1.019  -1.019
  417   3HG2  THR  53          2HG2      THR  53   9.030  -0.703  -0.703
  418    H    GLY  54           H        GLY  54   8.280   2.931   2.931
  419   1HA   GLY  54          2HA       GLY  54   9.960   4.205   4.205
  420   2HA   GLY  54          1HA       GLY  54   8.781   5.304   5.304
  421    H    VAL  55           H        VAL  55   8.733   4.894   4.894
  422    HA   VAL  55           HA       VAL  55  11.318   4.345   4.345
  423    HB   VAL  55           HB       VAL  55  11.528   6.603   6.603
  424   1HG1  VAL  55          2HG1      VAL  55   9.176   7.252   7.252
  425   2HG1  VAL  55          1HG1      VAL  55  10.267   7.919   7.919
  426   3HG1  VAL  55          3HG1      VAL  55  10.382   8.453   8.453
  427   1HG2  VAL  55          2HG2      VAL  55  12.711   5.645   5.645
  428   2HG2  VAL  55          1HG2      VAL  55  13.194   7.124   7.124
  429   3HG2  VAL  55          3HG2      VAL  55  12.108   7.207   7.207
  430    H    ILE  56           H        ILE  56  11.086   5.506   5.506
  431    HA   ILE  56           HA       ILE  56   8.621   4.291   4.291
  432    HB   ILE  56           HB       ILE  56   9.658   4.652   4.652
  433   1HG1  ILE  56          2HG1      ILE  56  11.960   5.906   5.906
  434   2HG1  ILE  56          1HG1      ILE  56  10.753   6.842   6.842
  435   1HG2  ILE  56          3HG2      ILE  56  10.369   2.807   2.807
  436   2HG2  ILE  56          2HG2      ILE  56  11.901   3.680   3.680
  437   3HG2  ILE  56          1HG2      ILE  56  11.252   2.983   2.983
  438   1HD1  ILE  56          2HD1      ILE  56  12.280   4.614   4.614
  439   2HD1  ILE  56          1HD1      ILE  56  12.947   6.244   6.244
  440   3HD1  ILE  56          3HD1      ILE  56  11.424   5.965   5.965
  441    H    ASN  57           H        ASN  57   8.481   6.887   6.887
  442    HA   ASN  57           HA       ASN  57   6.461   8.252   8.252
  443   1HB   ASN  57          2HB       ASN  57   8.678   8.830   8.830
  444   2HB   ASN  57          1HB       ASN  57   8.976   9.905   9.905
  445   1HD2  ASN  57          2HD2      ASN  57   5.620  10.669  10.669
  446   2HD2  ASN  57          1HD2      ASN  57   6.096   9.058   9.058
  447    H    MET  58           H        MET  58   5.323   8.968   8.968
  448    HA   MET  58           HA       MET  58   6.565  10.742  10.742
  449   1HB   MET  58          2HB       MET  58   7.156   8.236   8.236
  450   2HB   MET  58          1HB       MET  58   5.503   8.196   8.196
  451   1HG   MET  58          2HG       MET  58   5.933   9.808   9.808
  452   2HG   MET  58          1HG       MET  58   7.347  10.433  10.433
  453   1HE   MET  58          1HE       MET  58   5.718   8.464   8.464
  454   2HE   MET  58          3HE       MET  58   6.989   7.886   7.886
  455   3HE   MET  58          2HE       MET  58   6.339   6.823   6.823
  456    H    ASN  59           H        ASN  59   5.003  11.220  11.220
  457    HA   ASN  59           HA       ASN  59   2.128  10.844  10.844
  458   1HB   ASN  59          2HB       ASN  59   3.321  13.196  13.196
  459   2HB   ASN  59          1HB       ASN  59   2.963  13.486  13.486
  460   1HD2  ASN  59          2HD2      ASN  59  -0.658  12.892  12.892
  461   2HD2  ASN  59          1HD2      ASN  59   0.510  12.190  12.190
  462    H    VAL  60           H        VAL  60   1.227   9.863   9.863
  463    HA   VAL  60           HA       VAL  60   1.897  10.853  10.853
  464    HB   VAL  60           HB       VAL  60   3.581   9.099   9.099
  465   1HG1  VAL  60          1HG1      VAL  60   2.062   7.879   7.879
  466   2HG1  VAL  60          3HG1      VAL  60   1.286   7.148   7.148
  467   3HG1  VAL  60          2HG1      VAL  60   2.998   6.861   6.861
  468   1HG2  VAL  60          3HG2      VAL  60   2.371   9.388   9.388
  469   2HG2  VAL  60          2HG2      VAL  60   3.275   7.897   7.897
  470   3HG2  VAL  60          1HG2      VAL  60   1.518   7.903   7.903
  471    H    LEU  61           H        LEU  61   0.401   9.847   9.847
  472    HA   LEU  61           HA       LEU  61  -2.231   9.165   9.165
  473   1HB   LEU  61          2HB       LEU  61  -1.708  10.479  10.479
  474   2HB   LEU  61          1HB       LEU  61  -3.284  10.204  10.204
  475    HG   LEU  61           HG       LEU  61  -2.138  11.586  11.586
  476   1HD1  LEU  61          2HD1      LEU  61  -0.045  11.748  11.748
  477   2HD1  LEU  61          1HD1      LEU  61  -0.985  12.961  12.961
  478   3HD1  LEU  61          3HD1      LEU  61  -0.588  13.202  13.202
  479   1HD2  LEU  61          3HD2      LEU  61  -3.416  12.680  12.680
  480   2HD2  LEU  61          2HD2      LEU  61  -4.235  12.218  12.218
  481   3HD2  LEU  61          1HD2      LEU  61  -3.183  13.632  13.632
  482    H    SER  62           H        SER  62  -3.072   7.198   7.198
  483    HA   SER  62           HA       SER  62  -1.741   5.193   5.193
  484   1HB   SER  62          2HB       SER  62  -4.736   5.459   5.459
  485   2HB   SER  62          1HB       SER  62  -3.891   3.994   3.994
  486    HG   SER  62           HG       SER  62  -3.382   5.470   5.470
  487    H    THR  63           H        THR  63  -1.048   6.003   6.003
  488    HA   THR  63           HA       THR  63  -2.831   7.353   7.353
  489    HB   THR  63           HB       THR  63  -0.790   6.790   6.790
  490    HG1  THR  63           HG1      THR  63   0.639   5.631   5.631
  491   1HG2  THR  63          3HG2      THR  63  -1.487   8.933   8.933
  492   2HG2  THR  63          2HG2      THR  63   0.126   8.570   8.570
  493   3HG2  THR  63          1HG2      THR  63  -0.108   8.907   8.907
  494    H    THR  64           H        THR  64  -2.516   6.329   6.329
  495    HA   THR  64           HA       THR  64  -3.268   4.704   4.704
  496    HB   THR  64           HB       THR  64  -2.406   2.821   2.821
  497    HG1  THR  64           HG1      THR  64  -0.571   3.623   3.623
  498   1HG2  THR  64          2HG2      THR  64  -3.568   2.401   2.401
  499   2HG2  THR  64          1HG2      THR  64  -2.121   1.454   1.454
  500   3HG2  THR  64          3HG2      THR  64  -3.535   1.322   1.322
  501    H    ARG  65           H        ARG  65  -4.275   2.609   2.609
  502    HA   ARG  65           HA       ARG  65  -6.826   3.653   3.653
  503   1HB   ARG  65          2HB       ARG  65  -8.268   2.212   2.212
  504   2HB   ARG  65          1HB       ARG  65  -7.386   3.442   3.442
  505   1HG   ARG  65          2HG       ARG  65  -5.565   1.532   1.532
  506   2HG   ARG  65          1HG       ARG  65  -6.951   0.482   0.482
  507   1HD   ARG  65          2HD       ARG  65  -6.679   2.550   2.550
  508   2HD   ARG  65          1HD       ARG  65  -6.689   0.799   0.799
  509    HE   ARG  65           HE       ARG  65  -9.092   1.843   1.843
  510   1HH1  ARG  65          1HH2      ARG  65  -9.646  -0.491  -0.491
  511   2HH1  ARG  65          2HH2      ARG  65 -10.144   0.017   0.017
  512   1HH2  ARG  65          2HH1      ARG  65  -8.799   3.198   3.198
  513   2HH2  ARG  65          1HH1      ARG  65  -9.666   2.104   2.104
  514    H    PHE  66           H        PHE  66  -6.699   2.661   2.661
  515    HA   PHE  66           HA       PHE  66  -6.148  -0.281  -0.281
  516   1HB   PHE  66          2HB       PHE  66  -6.175   1.910   1.910
  517   2HB   PHE  66          1HB       PHE  66  -6.233   0.212   0.212
  518    HD1  PHE  66           HD2      PHE  66  -4.210   2.817   2.817
  519    HD2  PHE  66           HD1      PHE  66  -4.287  -1.262  -1.262
  520    HE1  PHE  66           HE2      PHE  66  -1.767   2.636   2.636
  521    HE2  PHE  66           HE1      PHE  66  -1.850  -1.424  -1.424
  522    HZ   PHE  66           HZ       PHE  66  -0.591   0.516   0.516
  523    H    GLN  67           H        GLN  67  -8.558   0.387   0.387
  524    HA   GLN  67           HA       GLN  67 -10.934   0.316   0.316
  525   1HB   GLN  67          2HB       GLN  67  -9.813  -2.257  -2.257
  526   2HB   GLN  67          1HB       GLN  67 -11.525  -2.053  -2.053
  527   1HG   GLN  67          2HG       GLN  67 -10.897  -1.383  -1.383
  528   2HG   GLN  67          1HG       GLN  67  -9.209  -1.704  -1.704
  529   1HE2  GLN  67          2HE2      GLN  67  -9.648  -5.048  -5.048
  530   2HE2  GLN  67          1HE2      GLN  67  -8.709  -3.635  -3.635
  531    H    LEU  68           H        LEU  68 -12.061   1.689   1.689
  532    HA   LEU  68           HA       LEU  68 -12.091   0.920   0.920
  533   1HB   LEU  68          2HB       LEU  68 -13.228   3.210   3.210
  534   2HB   LEU  68          1HB       LEU  68 -11.516   3.179   3.179
  535    HG   LEU  68           HG       LEU  68 -11.900   3.860   3.860
  536   1HD1  LEU  68          1HD1      LEU  68 -14.799   3.224   3.224
  537   2HD1  LEU  68          3HD1      LEU  68 -14.336   4.278   4.278
  538   3HD1  LEU  68          2HD1      LEU  68 -13.797   2.602   2.602
  539   1HD2  LEU  68          3HD2      LEU  68 -12.209   5.558   5.558
  540   2HD2  LEU  68          2HD2      LEU  68 -12.918   6.005   6.005
  541   3HD2  LEU  68          1HD2      LEU  68 -13.941   5.385   5.385
  542    H    ASN  69           H        ASN  69 -14.027   0.896   0.896
  543    HA   ASN  69           HA       ASN  69 -16.523   0.379   0.379
  544   1HB   ASN  69          2HB       ASN  69 -15.374  -1.559  -1.559
  545   2HB   ASN  69          1HB       ASN  69 -16.113  -0.718  -0.718
  546   1HD2  ASN  69          2HD2      ASN  69 -18.733  -2.081  -2.081
  547   2HD2  ASN  69          1HD2      ASN  69 -17.269  -1.375  -1.375
  548    H    THR  70           H        THR  70 -17.360   2.511   2.511
  549    HA   THR  70           HA       THR  70 -17.308   3.774   3.774
  550    HB   THR  70           HB       THR  70 -18.244   5.044   5.044
  551    HG1  THR  70           HG1      THR  70 -16.151   5.649   5.649
  552   1HG2  THR  70          2HG2      THR  70 -18.673   6.046   6.046
  553   2HG2  THR  70          1HG2      THR  70 -16.929   6.308   6.308
  554   3HG2  THR  70          3HG2      THR  70 -17.892   7.083   7.083
  555    H    CYS  71           H        CYS  71 -18.950   3.741   3.741
  556    HA   CYS  71           HA       CYS  71 -21.735   3.452   3.452
  557   1HB   CYS  71          2HB       CYS  71 -20.777   2.933   2.933
  558   2HB   CYS  71          1HB       CYS  71 -22.382   2.601   2.601
  559    H    THR  72           H        THR  72 -22.340   5.599   5.599
  560    HA   THR  72           HA       THR  72 -21.497   7.514   7.514
  561    HB   THR  72           HB       THR  72 -22.358   8.206   8.206
  562    HG1  THR  72           HG1      THR  72 -20.191   8.167   8.167
  563   1HG2  THR  72          3HG2      THR  72 -20.953   9.643   9.643
  564   2HG2  THR  72          2HG2      THR  72 -20.854  10.205  10.205
  565   3HG2  THR  72          1HG2      THR  72 -22.417  10.127  10.127
  566    H    ARG  73           H        ARG  73 -22.952   8.901   8.901
  567    HA   ARG  73           HA       ARG  73 -25.752   8.198   8.198
  568   1HB   ARG  73          2HB       ARG  73 -24.558   9.183   9.183
  569   2HB   ARG  73          1HB       ARG  73 -24.306  10.664  10.664
  570   1HG   ARG  73          2HG       ARG  73 -26.623  11.183  11.183
  571   2HG   ARG  73          1HG       ARG  73 -27.071   9.555   9.555
  572   1HD   ARG  73          2HD       ARG  73 -27.225  10.627  10.627
  573   2HD   ARG  73          1HD       ARG  73 -25.517  10.187  10.187
  574    HE   ARG  73           HE       ARG  73 -25.739  12.730  12.730
  575   1HH1  ARG  73          2HH1      ARG  73 -24.420  11.501  11.501
  576   2HH1  ARG  73          1HH1      ARG  73 -24.863  12.769  12.769
  577   1HH2  ARG  73          1HH2      ARG  73 -27.094  14.253  14.253
  578   2HH2  ARG  73          2HH2      ARG  73 -26.377  14.325  14.325
  579    H    THR  74           H        THR  74 -27.007   8.634   8.634
  580    HA   THR  74           HA       THR  74 -26.927  11.416  11.416
  581    HB   THR  74           HB       THR  74 -27.008  10.340  10.340
  582    HG1  THR  74           HG1      THR  74 -25.687   8.315   8.315
  583   1HG2  THR  74          3HG2      THR  74 -25.133  11.683  11.683
  584   2HG2  THR  74          2HG2      THR  74 -24.385  10.123  10.123
  585   3HG2  THR  74          1HG2      THR  74 -24.661  10.618  10.618
  586    H    SER  75           H        SER  75 -28.466   8.513   8.513
  587    HA   SER  75           HA       SER  75 -31.073   9.941   9.941
  588   1HB   SER  75          2HB       SER  75 -31.776   8.011   8.011
  589   2HB   SER  75          1HB       SER  75 -30.467   8.996   8.996
  590    HG   SER  75           HG       SER  75 -29.540   7.098   7.098
  591    H    ILE  76           H        ILE  76 -33.040   8.779   8.779
  592    HA   ILE  76           HA       ILE  76 -32.976   7.688   7.688
  593    HB   ILE  76           HB       ILE  76 -35.324   6.839   6.839
  594   1HG1  ILE  76          2HG1      ILE  76 -35.069   8.475   8.475
  595   2HG1  ILE  76          1HG1      ILE  76 -34.579   6.782   6.782
  596   1HG2  ILE  76          1HG2      ILE  76 -34.392   9.684   9.684
  597   2HG2  ILE  76          3HG2      ILE  76 -36.101   9.300   9.300
  598   3HG2  ILE  76          2HG2      ILE  76 -35.294   8.920   8.920
  599   1HD1  ILE  76          2HD1      ILE  76 -37.098   6.960   6.960
  600   2HD1  ILE  76          1HD1      ILE  76 -37.221   7.844   7.844
  601   3HD1  ILE  76          3HD1      ILE  76 -36.733   6.150   6.150
  602    H    THR  77           H        THR  77 -32.527   5.742   5.742
  603    HA   THR  77           HA       THR  77 -33.151   3.200   3.200
  604    HB   THR  77           HB       THR  77 -31.690   3.592   3.592
  605    HG1  THR  77           HG1      THR  77 -31.514   1.550   1.550
  606   1HG2  THR  77          3HG2      THR  77 -30.281   5.250   5.250
  607   2HG2  THR  77          2HG2      THR  77 -29.184   3.897   3.897
  608   3HG2  THR  77          1HG2      THR  77 -29.792   4.817   4.817
  609    HA   PRO  78           HA       PRO  78 -31.182   3.912   3.912
  610   1HB   PRO  78          2HB       PRO  78 -33.355   3.158   3.158
  611   2HB   PRO  78          1HB       PRO  78 -33.029   4.819   4.819
  612   1HG   PRO  78          2HG       PRO  78 -35.033   2.873   2.873
  613   2HG   PRO  78          1HG       PRO  78 -35.084   4.644   4.644
  614   1HD   PRO  78          2HD       PRO  78 -34.466   3.046   3.046
  615   2HD   PRO  78          1HD       PRO  78 -34.128   4.786   4.786
  616    H    ARG  79           H        ARG  79 -29.802   2.263   2.263
  617    HA   ARG  79           HA       ARG  79 -30.792  -0.373  -0.373
  618   1HB   ARG  79          2HB       ARG  79 -28.964   0.079   0.079
  619   2HB   ARG  79          1HB       ARG  79 -29.186  -1.487  -1.487
  620   1HG   ARG  79          2HG       ARG  79 -31.746  -0.977  -0.977
  621   2HG   ARG  79          1HG       ARG  79 -31.149   0.123   0.123
  622   1HD   ARG  79          2HD       ARG  79 -31.231  -1.749  -1.749
  623   2HD   ARG  79          1HD       ARG  79 -29.667  -2.081  -2.081
  624    HE   ARG  79           HE       ARG  79 -30.965  -3.471  -3.471
  625   1HH1  ARG  79          1HH2      ARG  79 -33.681  -2.622  -2.622
  626   2HH1  ARG  79          2HH2      ARG  79 -34.115  -4.007  -4.007
  627   1HH2  ARG  79          2HH1      ARG  79 -30.903  -5.304  -5.304
  628   2HH2  ARG  79          1HH1      ARG  79 -32.546  -5.524  -5.524
  629    HA   PRO  80           HA       PRO  80 -30.948   1.295   1.295
  630   1HB   PRO  80          2HB       PRO  80 -30.189   2.858   2.858
  631   2HB   PRO  80          1HB       PRO  80 -30.445   1.110   1.110
  632   1HG   PRO  80          2HG       PRO  80 -27.899   2.630   2.630
  633   2HG   PRO  80          1HG       PRO  80 -28.244   1.004   1.004
  634   1HD   PRO  80          2HD       PRO  80 -26.937   1.695   1.695
  635   2HD   PRO  80          1HD       PRO  80 -27.362   0.070   0.070
  636    H    CYS  81           H        CYS  81 -28.010   3.175   3.175
  637    HA   CYS  81           HA       CYS  81 -29.448   5.727   5.727
  638   1HB   CYS  81          2HB       CYS  81 -26.630   4.839   4.839
  639   2HB   CYS  81          1HB       CYS  81 -26.944   6.206   6.206
  640    HA   PRO  82           HA       PRO  82 -30.181   5.387   5.387
  641   1HB   PRO  82          2HB       PRO  82 -29.907   7.989   7.989
  642   2HB   PRO  82          1HB       PRO  82 -31.323   7.390   7.390
  643   1HG   PRO  82          2HG       PRO  82 -29.049   9.055   9.055
  644   2HG   PRO  82          1HG       PRO  82 -30.741   9.037   9.037
  645   1HD   PRO  82          2HD       PRO  82 -28.638   7.816   7.816
  646   2HD   PRO  82          1HD       PRO  82 -30.360   7.411   7.411
  647    H    TYR  83           H        TYR  83 -28.261   4.127   4.127
  648    HA   TYR  83           HA       TYR  83 -25.975   5.729   5.729
  649   1HB   TYR  83          2HB       TYR  83 -25.982   3.247   3.247
  650   2HB   TYR  83          1HB       TYR  83 -24.715   3.441   3.441
  651    HD1  TYR  83           HD2      TYR  83 -26.505   5.664   5.664
  652    HD2  TYR  83           HD1      TYR  83 -22.782   4.351   4.351
  653    HE1  TYR  83           HE2      TYR  83 -25.281   7.235   7.235
  654    HE2  TYR  83           HE1      TYR  83 -21.565   5.927   5.927
  655    HH   TYR  83           HH       TYR  83 -22.155   8.146   8.146
  656    H    SER  84           H        SER  84 -25.178   5.244   5.244
  657    HA   SER  84           HA       SER  84 -26.404   2.936   2.936
  658   1HB   SER  84          2HB       SER  84 -25.316   5.427   5.427
  659   2HB   SER  84          1HB       SER  84 -26.465   4.253   4.253
  660    HG   SER  84           HG       SER  84 -27.772   5.839   5.839
  661    H    SER  85           H        SER  85 -24.876   1.441   1.441
  662    HA   SER  85           HA       SER  85 -22.013   2.115   2.115
  663   1HB   SER  85          2HB       SER  85 -23.152  -0.596  -0.596
  664   2HB   SER  85          1HB       SER  85 -21.609  -0.227  -0.227
  665    HG   SER  85           HG       SER  85 -24.207   0.200   0.200
  666    H    ARG  86           H        ARG  86 -20.493   2.007   2.007
  667    HA   ARG  86           HA       ARG  86 -21.182   1.062   1.062
  668   1HB   ARG  86          2HB       ARG  86 -21.986   3.509   3.509
  669   2HB   ARG  86          1HB       ARG  86 -20.271   3.927   3.927
  670   1HG   ARG  86          2HG       ARG  86 -20.609   4.046   4.046
  671   2HG   ARG  86          1HG       ARG  86 -20.225   2.331   2.331
  672   1HD   ARG  86          2HD       ARG  86 -23.019   2.636   2.636
  673   2HD   ARG  86          1HD       ARG  86 -22.643   3.534   3.534
  674    HE   ARG  86           HE       ARG  86 -21.361   1.033   1.033
  675   1HH1  ARG  86          1HH2      ARG  86 -24.290   0.960   0.960
  676   2HH1  ARG  86          2HH2      ARG  86 -25.167   0.299   0.299
  677   1HH2  ARG  86          2HH1      ARG  86 -22.586   0.777   0.777
  678   2HH2  ARG  86          1HH1      ARG  86 -24.201   0.194   0.194
  679    H    THR  87           H        THR  87 -19.360   0.250   0.250
  680    HA   THR  87           HA       THR  87 -16.753   0.613   0.613
  681    HB   THR  87           HB       THR  87 -17.175  -1.140  -1.140
  682    HG1  THR  87           HG1      THR  87 -18.026  -2.708  -2.708
  683   1HG2  THR  87          2HG2      THR  87 -15.244  -0.851  -0.851
  684   2HG2  THR  87          1HG2      THR  87 -15.668  -2.512  -2.512
  685   3HG2  THR  87          3HG2      THR  87 -14.996  -1.443  -1.443
  686    H    GLU  88           H        GLU  88 -14.879   1.398   1.398
  687    HA   GLU  88           HA       GLU  88 -14.938   2.215   2.215
  688   1HB   GLU  88          2HB       GLU  88 -16.111   4.015   4.015
  689   2HB   GLU  88          1HB       GLU  88 -14.580   4.724   4.724
  690   1HG   GLU  88          2HG       GLU  88 -15.209   4.563   4.563
  691   2HG   GLU  88          1HG       GLU  88 -16.665   3.656   3.656
  692    H    THR  89           H        THR  89 -13.073   4.168   4.168
  693    HA   THR  89           HA       THR  89 -10.587   2.823   2.823
  694    HB   THR  89           HB       THR  89 -11.209   5.711   5.711
  695    HG1  THR  89           HG1      THR  89 -10.464   3.371   3.371
  696   1HG2  THR  89          2HG2      THR  89  -8.717   4.487   4.487
  697   2HG2  THR  89          1HG2      THR  89  -8.634   4.944   4.944
  698   3HG2  THR  89          3HG2      THR  89  -9.033   6.153   6.153
  699    H    ASN  90           H        ASN  90  -9.154   3.104   3.104
  700    HA   ASN  90           HA       ASN  90 -10.175   4.861   4.861
  701   1HB   ASN  90          2HB       ASN  90  -9.961   2.404   2.404
  702   2HB   ASN  90          1HB       ASN  90  -8.219   2.608   2.608
  703   1HD2  ASN  90          2HD2      ASN  90  -8.230   3.462   3.462
  704   2HD2  ASN  90          1HD2      ASN  90  -7.681   2.383   2.383
  705    H    TYR  91           H        TYR  91  -9.264   6.740   6.740
  706    HA   TYR  91           HA       TYR  91  -6.280   6.978   6.978
  707   1HB   TYR  91          2HB       TYR  91  -7.824   8.053   8.053
  708   2HB   TYR  91          1HB       TYR  91  -8.156   9.256   9.256
  709    HD1  TYR  91           HD1      TYR  91  -5.527   7.746   7.746
  710    HD2  TYR  91           HD2      TYR  91  -6.455  10.796  10.796
  711    HE1  TYR  91           HE1      TYR  91  -3.372   8.872   8.872
  712    HE2  TYR  91           HE2      TYR  91  -4.302  11.920  11.920
  713    HH   TYR  91           HH       TYR  91  -2.688  11.873  11.873
  714    H    ILE  92           H        ILE  92  -5.871   7.033   7.033
  715    HA   ILE  92           HA       ILE  92  -7.588   8.912   8.912
  716    HB   ILE  92           HB       ILE  92  -7.945   6.437   6.437
  717   1HG1  ILE  92          2HG1      ILE  92  -6.941   7.684   7.684
  718   2HG1  ILE  92          1HG1      ILE  92  -8.367   8.318   8.318
  719   1HG2  ILE  92          3HG2      ILE  92  -5.094   6.471   6.471
  720   2HG2  ILE  92          2HG2      ILE  92  -5.827   5.917   5.917
  721   3HG2  ILE  92          1HG2      ILE  92  -6.189   5.090   5.090
  722   1HD1  ILE  92          3HD1      ILE  92  -9.139   5.819   5.819
  723   2HD1  ILE  92          2HD1      ILE  92  -7.957   5.613   5.613
  724   3HD1  ILE  92          1HD1      ILE  92  -9.303   6.736   6.736
  725    H    CYS  93           H        CYS  93  -6.577   9.560   9.560
  726    HA   CYS  93           HA       CYS  93  -3.684  10.268  10.268
  727   1HB   CYS  93          2HB       CYS  93  -5.352  12.166  12.166
  728   2HB   CYS  93          1HB       CYS  93  -5.788  11.713  11.713
  729    H    VAL  94           H        VAL  94  -2.557   8.823   8.823
  730    HA   VAL  94           HA       VAL  94  -3.451   8.306   8.306
  731    HB   VAL  94           HB       VAL  94  -2.628   6.006   6.006
  732   1HG1  VAL  94          3HG1      VAL  94  -4.959   6.604   6.604
  733   2HG1  VAL  94          2HG1      VAL  94  -4.364   6.764   6.764
  734   3HG1  VAL  94          1HG1      VAL  94  -4.312   5.198   5.198
  735   1HG2  VAL  94          2HG2      VAL  94  -0.805   6.569   6.569
  736   2HG2  VAL  94          1HG2      VAL  94  -1.769   5.178   5.178
  737   3HG2  VAL  94          3HG2      VAL  94  -2.038   6.749   6.749
  738    H    LYS  95           H        LYS  95  -1.252   7.000   7.000
  739    HA   LYS  95           HA       LYS  95   1.136   8.519   8.519
  740   1HB   LYS  95          2HB       LYS  95  -0.155   8.715   8.715
  741   2HB   LYS  95          1HB       LYS  95   1.537   9.128   9.128
  742   1HG   LYS  95          2HG       LYS  95   0.677  11.204  11.204
  743   2HG   LYS  95          1HG       LYS  95   0.395  10.526  10.526
  744   1HD   LYS  95          2HD       LYS  95  -1.758  11.200  11.200
  745   2HD   LYS  95          1HD       LYS  95  -1.836   9.651   9.651
  746   1HE   LYS  95          2HE       LYS  95  -2.387  10.808  10.808
  747   2HE   LYS  95          1HE       LYS  95  -0.726  11.395  11.395
  748   1HZ   LYS  95          2HZ       LYS  95  -1.876  13.013  13.013
  749   2HZ   LYS  95          1HZ       LYS  95  -3.150  12.771  12.771
  750   3HZ   LYS  95          3HZ       LYS  95  -1.674  13.394  13.394
  751    H    CYS  96           H        CYS  96   3.137   7.709   7.709
  752    HA   CYS  96           HA       CYS  96   2.846   4.840   4.840
  753   1HB   CYS  96          2HB       CYS  96   5.345   5.881   5.881
  754   2HB   CYS  96          1HB       CYS  96   4.687   4.248   4.248
  755    H    GLU  97           H        GLU  97   3.672   4.277   4.277
  756    HA   GLU  97           HA       GLU  97   6.065   5.554   5.554
  757   1HB   GLU  97          2HB       GLU  97   4.563   6.948   6.948
  758   2HB   GLU  97          1HB       GLU  97   3.340   5.698   5.698
  759   1HG   GLU  97          2HG       GLU  97   4.811   4.501   4.501
  760   2HG   GLU  97          1HG       GLU  97   6.001   5.795   5.795
  761    H    ASN  98           H        ASN  98   7.142   3.986   3.986
  762    HA   ASN  98           HA       ASN  98   7.710   1.747   1.747
  763   1HB   ASN  98          2HB       ASN  98   4.779   1.965   1.965
  764   2HB   ASN  98          1HB       ASN  98   5.390   0.323   0.323
  765   1HD2  ASN  98          2HD2      ASN  98   6.362   2.470   2.470
  766   2HD2  ASN  98          1HD2      ASN  98   5.581   3.226   3.226
  767    H    GLN  99           H        GLN  99   6.928   2.676   2.676
  768    HA   GLN  99           HA       GLN  99   7.050   1.845   1.845
  769   1HB   GLN  99          2HB       GLN  99   7.945  -0.513  -0.513
  770   2HB   GLN  99          1HB       GLN  99   7.465  -0.811  -0.811
  771   1HG   GLN  99          2HG       GLN  99   9.131   1.572   1.572
  772   2HG   GLN  99          1HG       GLN  99   9.947   0.169   0.169
  773   1HE2  GLN  99          2HE2      GLN  99   8.786  -0.156  -0.156
  774   2HE2  GLN  99          1HE2      GLN  99   7.759   0.635   0.635
  775    H    TYR 100           H        TYR 100   4.583   0.975   0.975
  776    HA   TYR 100           HA       TYR 100   3.037  -0.233  -0.233
  777   1HB   TYR 100          2HB       TYR 100   2.156  -1.743  -1.743
  778   2HB   TYR 100          1HB       TYR 100   3.352  -1.225  -1.225
  779    HD1  TYR 100           HD2      TYR 100  -0.086  -0.110  -0.110
  780    HD2  TYR 100           HD1      TYR 100   2.563  -0.696  -0.696
  781    HE1  TYR 100           HE2      TYR 100  -1.899   0.578   0.578
  782    HE2  TYR 100           HE1      TYR 100   0.755  -0.011  -0.011
  783    HH   TYR 100           HH       TYR 100  -1.345   0.809   0.809
  784    HA   PRO 101           HA       PRO 101   0.926   3.621   3.621
  785   1HB   PRO 101          2HB       PRO 101  -1.545   2.808   2.808
  786   2HB   PRO 101          1HB       PRO 101  -0.119   3.003   3.003
  787   1HG   PRO 101          2HG       PRO 101  -1.336   0.484   0.484
  788   2HG   PRO 101          1HG       PRO 101  -0.488   0.753   0.753
  789   1HD   PRO 101          2HD       PRO 101   0.672  -0.473  -0.473
  790   2HD   PRO 101          1HD       PRO 101   1.593   0.363   0.363
  791    H    VAL 102           H        VAL 102   0.726   4.180   4.180
  792    HA   VAL 102           HA       VAL 102  -1.577   2.943   2.943
  793    HB   VAL 102           HB       VAL 102   0.670   2.390   2.390
  794   1HG1  VAL 102          3HG1      VAL 102   1.300   4.998   4.998
  795   2HG1  VAL 102          2HG1      VAL 102   1.063   5.069   5.069
  796   3HG1  VAL 102          1HG1      VAL 102   2.245   3.953   3.953
  797   1HG2  VAL 102          1HG2      VAL 102  -1.595   3.051   3.051
  798   2HG2  VAL 102          3HG2      VAL 102  -0.140   2.399   2.399
  799   3HG2  VAL 102          2HG2      VAL 102  -0.425   4.139   4.139
  800    H    HIS 103           H        HIS 103  -1.027   5.755   5.755
  801    HA   HIS 103           HA       HIS 103  -2.671   7.200   7.200
  802   1HB   HIS 103          2HB       HIS 103  -1.229   9.176   9.176
  803   2HB   HIS 103          1HB       HIS 103  -1.279   8.948   8.948
  804    HD1  HIS 103           HD1      HIS 103   1.149   9.442   9.442
  805    HD2  HIS 103           HD2      HIS 103   0.704   6.401   6.401
  806    HE1  HIS 103           HE1      HIS 103   3.460   8.530   8.530
  807    H    PHE 104           H        PHE 104  -4.488   8.123   8.123
  808    HA   PHE 104           HA       PHE 104  -4.691   8.054   8.054
  809   1HB   PHE 104          2HB       PHE 104  -6.411   6.839   6.839
  810   2HB   PHE 104          1HB       PHE 104  -7.320   7.897   7.897
  811    HD1  PHE 104           HD1      PHE 104  -4.236   6.011   6.011
  812    HD2  PHE 104           HD2      PHE 104  -8.499   6.266   6.266
  813    HE1  PHE 104           HE1      PHE 104  -4.143   4.293   4.293
  814    HE2  PHE 104           HE2      PHE 104  -8.426   4.520   4.520
  815    HZ   PHE 104           HZ       PHE 104  -6.262   3.528   3.528
  816    H    ALA 105           H        ALA 105  -5.109   9.919   9.919
  817    HA   ALA 105           HA       ALA 105  -5.879  12.264  12.264
  818   1HB   ALA 105          2HB       ALA 105  -4.092  11.934  11.934
  819   2HB   ALA 105          1HB       ALA 105  -5.452  12.806  12.806
  820   3HB   ALA 105          3HB       ALA 105  -4.616  13.466  13.466
  821    H    GLY 106           H        GLY 106  -7.064  10.233  10.233
  822   1HA   GLY 106          2HA       GLY 106  -9.689  10.199  10.199
  823   2HA   GLY 106          1HA       GLY 106  -9.528  11.900  11.900
  824    H    ILE 107           H        ILE 107 -10.657  11.649  11.649
  825    HA   ILE 107           HA       ILE 107 -10.222   9.694   9.694
  826    HB   ILE 107           HB       ILE 107 -11.151  11.411  11.411
  827   1HG1  ILE 107          2HG1      ILE 107 -11.214  13.195  13.195
  828   2HG1  ILE 107          1HG1      ILE 107  -9.991  13.340  13.340
  829   1HG2  ILE 107          2HG2      ILE 107 -12.383  10.730  10.730
  830   2HG2  ILE 107          1HG2      ILE 107 -13.233  11.859  11.859
  831   3HG2  ILE 107          3HG2      ILE 107 -12.865  10.230  10.230
  832   1HD1  ILE 107          3HD1      ILE 107 -12.988  13.558  13.558
  833   2HD1  ILE 107          2HD1      ILE 107 -11.856  14.909  14.909
  834   3HD1  ILE 107          1HD1      ILE 107 -11.765  13.705  13.705
  835    H    GLY 108           H        GLY 108  -9.431  10.773  10.773
  836   1HA   GLY 108          2HA       GLY 108  -6.526  11.107  11.107
  837   2HA   GLY 108          1HA       GLY 108  -7.341  10.826  10.826
  838    H    ARG 109           H        ARG 109  -7.458  13.341  13.341
  839    HA   ARG 109           HA       ARG 109  -6.799  15.411  15.411
  840   1HB   ARG 109          2HB       ARG 109  -9.203  15.635  15.635
  841   2HB   ARG 109          1HB       ARG 109  -8.680  16.825  16.825
  842   1HG   ARG 109          2HG       ARG 109  -9.515  13.996  13.996
  843   2HG   ARG 109          1HG       ARG 109 -10.593  15.386  15.386
  844   1HD   ARG 109          2HD       ARG 109  -9.327  16.417  16.417
  845   2HD   ARG 109          1HD       ARG 109  -7.948  15.350  15.350
  846    HE   ARG 109           HE       ARG 109  -9.877  13.567  13.567
  847   1HH1  ARG 109          1HH2      ARG 109  -7.685  15.087  15.087
  848   2HH1  ARG 109          2HH2      ARG 109  -8.637  15.371  15.371
  849   1HH2  ARG 109          2HH1      ARG 109 -11.644  14.586  14.586
  850   2HH2  ARG 109          1HH1      ARG 109 -10.878  15.084  15.084
  851    H    CYS 110           H        CYS 110  -4.854  15.830  15.830
  852    HA   CYS 110           HA       CYS 110  -5.039  16.958  16.958
  853   1HB   CYS 110          2HB       CYS 110  -3.155  14.894  14.894
  854   2HB   CYS 110          1HB       CYS 110  -2.608  15.982  15.982
  855    HA   PRO 111           HA       PRO 111  -2.786  19.782  19.782
  856   1HB   PRO 111          2HB       PRO 111  -4.619  21.824  21.824
  857   2HB   PRO 111          1HB       PRO 111  -4.640  20.474  20.474
  858   1HG   PRO 111          2HG       PRO 111  -6.426  20.984  20.984
  859   2HG   PRO 111          1HG       PRO 111  -6.761  20.096  20.096
  860   1HD   PRO 111          1HD       PRO 111  -6.161  18.937  18.937
  861   2HD   PRO 111          2HD       PRO 111  -6.147  18.104  18.104

  Start of MODEL    9
    1    HN   PCA   1           HN       PCA   1  -1.972   4.063   4.063
    2    HA   PCA   1           HA       PCA   1  -4.140   2.775   2.775
    3   1HB   PCA   1          1HB       PCA   1  -5.119   3.142   3.142
    4   2HB   PCA   1          2HB       PCA   1  -3.741   2.384   2.384
    5   1HG   PCA   1          1HG       PCA   1  -4.379   5.191   5.191
    6   2HG   PCA   1          2HG       PCA   1  -3.053   4.432   4.432
    7    H    ASN   2           H        ASN   2  -3.967   0.641   0.641
    8    HA   ASN   2           HA       ASN   2  -1.268  -0.544  -0.544
    9   1HB   ASN   2          2HB       ASN   2  -2.478  -1.234  -1.234
   10   2HB   ASN   2          1HB       ASN   2  -3.857  -1.747  -1.747
   11   1HD2  ASN   2          2HD2      ASN   2  -0.470  -4.101  -4.101
   12   2HD2  ASN   2          1HD2      ASN   2  -0.294  -2.424  -2.424
   13    H    TRP   3           H        TRP   3  -1.179  -2.701  -2.701
   14    HA   TRP   3           HA       TRP   3  -1.980  -2.236  -2.236
   15   1HB   TRP   3          2HB       TRP   3  -0.220  -3.972  -3.972
   16   2HB   TRP   3          1HB       TRP   3  -1.362  -5.032  -5.032
   17    HD1  TRP   3           HD1      TRP   3   1.843  -3.726  -3.726
   18    HE1  TRP   3           HE1      TRP   3   2.556  -3.663  -3.663
   19    HE3  TRP   3           HE3      TRP   3  -2.751  -3.995  -3.995
   20    HZ2  TRP   3           HZ2      TRP   3   1.385  -3.748  -3.748
   21    HZ3  TRP   3           HZ3      TRP   3  -2.888  -4.033  -4.033
   22    HH2  TRP   3           HH2      TRP   3  -0.827  -3.915  -3.915
   23    H    ALA   4           H        ALA   4  -3.475  -4.006  -4.006
   24    HA   ALA   4           HA       ALA   4  -5.246  -5.646  -5.646
   25   1HB   ALA   4          2HB       ALA   4  -4.471  -5.610  -5.610
   26   2HB   ALA   4          1HB       ALA   4  -6.157  -5.104  -5.104
   27   3HB   ALA   4          3HB       ALA   4  -5.728  -6.637  -6.637
   28    H    THR   5           H        THR   5  -5.985  -2.923  -2.923
   29    HA   THR   5           HA       THR   5  -8.660  -2.497  -2.497
   30    HB   THR   5           HB       THR   5  -8.057  -0.055  -0.055
   31    HG1  THR   5           HG1      THR   5  -6.121   0.069   0.069
   32   1HG2  THR   5          1HG2      THR   5  -9.555  -1.768  -1.768
   33   2HG2  THR   5          3HG2      THR   5  -8.139  -2.465  -2.465
   34   3HG2  THR   5          2HG2      THR   5  -8.647  -0.822  -0.822
   35    H    PHE   6           H        PHE   6  -5.505  -1.320  -1.320
   36    HA   PHE   6           HA       PHE   6  -6.488   0.535   0.535
   37   1HB   PHE   6          2HB       PHE   6  -4.243   0.755   0.755
   38   2HB   PHE   6          1HB       PHE   6  -3.779  -0.717  -0.717
   39    HD1  PHE   6           HD2      PHE   6  -3.920  -0.793  -0.793
   40    HD2  PHE   6           HD1      PHE   6  -4.267   2.899   2.899
   41    HE1  PHE   6           HE2      PHE   6  -3.481   0.467   0.467
   42    HE2  PHE   6           HE1      PHE   6  -3.829   4.173   4.173
   43    HZ   PHE   6           HZ       PHE   6  -3.442   2.953   2.953
   44    H    GLN   7           H        GLN   7  -5.850  -2.885  -2.885
   45    HA   GLN   7           HA       GLN   7  -5.515  -3.509  -3.509
   46   1HB   GLN   7          2HB       GLN   7  -5.402  -5.211  -5.211
   47   2HB   GLN   7          1HB       GLN   7  -7.160  -5.125  -5.125
   48   1HG   GLN   7          2HG       GLN   7  -7.369  -6.571  -6.571
   49   2HG   GLN   7          1HG       GLN   7  -6.455  -5.496  -5.496
   50   1HE2  GLN   7          2HE2      GLN   7  -4.549  -8.645  -8.645
   51   2HE2  GLN   7          1HE2      GLN   7  -6.064  -8.139  -8.139
   52    H    GLN   8           H        GLN   8  -8.309  -2.595  -2.595
   53    HA   GLN   8           HA       GLN   8 -10.241  -3.053  -3.053
   54   1HB   GLN   8          2HB       GLN   8 -10.307  -2.037  -2.037
   55   2HB   GLN   8          1HB       GLN   8 -11.533  -1.390  -1.390
   56   1HG   GLN   8          2HG       GLN   8 -12.595  -3.307  -3.307
   57   2HG   GLN   8          1HG       GLN   8 -11.840  -3.913  -3.913
   58   1HE2  GLN   8          2HE2      GLN   8 -10.404  -5.116  -5.116
   59   2HE2  GLN   8          1HE2      GLN   8 -11.462  -3.791  -3.791
   60    H    LYS   9           H        LYS   9  -8.414  -0.393  -0.393
   61    HA   LYS   9           HA       LYS   9  -9.481   1.875   1.875
   62   1HB   LYS   9          2HB       LYS   9  -7.582   1.897   1.897
   63   2HB   LYS   9          1HB       LYS   9  -6.509   1.319   1.319
   64   1HG   LYS   9          2HG       LYS   9  -6.219   3.657   3.657
   65   2HG   LYS   9          1HG       LYS   9  -7.318   3.355   3.355
   66   1HD   LYS   9          2HD       LYS   9  -8.347   5.144   5.144
   67   2HD   LYS   9          1HD       LYS   9  -9.203   3.737   3.737
   68   1HE   LYS   9          2HE       LYS   9  -7.070   3.902   3.902
   69   2HE   LYS   9          1HE       LYS   9  -7.387   5.602   5.602
   70   1HZ   LYS   9          2HZ       LYS   9  -9.616   3.786   3.786
   71   2HZ   LYS   9          1HZ       LYS   9  -8.669   4.437   4.437
   72   3HZ   LYS   9          3HZ       LYS   9  -9.512   5.470   5.470
   73    H    HIS  10           H        HIS  10  -6.958  -0.188  -0.188
   74    HA   HIS  10           HA       HIS  10  -7.478   1.105   1.105
   75   1HB   HIS  10          2HB       HIS  10  -5.140  -0.210  -0.210
   76   2HB   HIS  10          1HB       HIS  10  -5.494  -0.826  -0.826
   77    HD1  HIS  10           HD1      HIS  10  -6.226   1.465   1.465
   78    HD2  HIS  10           HD2      HIS  10  -3.323   1.821   1.821
   79    HE1  HIS  10           HE1      HIS  10  -4.753   3.417   3.417
   80    H    ILE  11           H        ILE  11  -8.288  -1.800  -1.800
   81    HA   ILE  11           HA       ILE  11  -9.373  -2.913  -2.913
   82    HB   ILE  11           HB       ILE  11  -7.696  -4.518  -4.518
   83   1HG1  ILE  11          2HG1      ILE  11  -6.347  -4.685  -4.685
   84   2HG1  ILE  11          1HG1      ILE  11  -7.047  -3.088  -3.088
   85   1HG2  ILE  11          3HG2      ILE  11  -9.337  -5.206  -5.206
   86   2HG2  ILE  11          2HG2      ILE  11  -7.820  -6.070  -6.070
   87   3HG2  ILE  11          1HG2      ILE  11  -9.069  -6.125  -6.125
   88   1HD1  ILE  11          3HD1      ILE  11  -6.185  -2.488  -2.488
   89   2HD1  ILE  11          2HD1      ILE  11  -5.322  -4.023  -4.023
   90   3HD1  ILE  11          1HD1      ILE  11  -4.929  -2.787  -2.787
   91    H    ILE  12           H        ILE  12 -11.504  -2.436  -2.436
   92    HA   ILE  12           HA       ILE  12 -12.400  -4.180  -4.180
   93    HB   ILE  12           HB       ILE  12 -14.043  -2.138  -2.138
   94   1HG1  ILE  12          2HG1      ILE  12 -12.490  -1.899  -1.899
   95   2HG1  ILE  12          1HG1      ILE  12 -12.317  -0.903  -0.903
   96   1HG2  ILE  12          2HG2      ILE  12 -14.990  -4.200  -4.200
   97   2HG2  ILE  12          1HG2      ILE  12 -14.663  -3.146  -3.146
   98   3HG2  ILE  12          3HG2      ILE  12 -15.764  -2.619  -2.619
   99   1HD1  ILE  12          3HD1      ILE  12 -14.989  -0.572  -0.572
  100   2HD1  ILE  12          2HD1      ILE  12 -14.251  -0.677  -0.677
  101   3HD1  ILE  12          1HD1      ILE  12 -13.703   0.547   0.547
  102    H    ASN  13           H        ASN  13 -11.611  -5.794  -5.794
  103    HA   ASN  13           HA       ASN  13 -13.006  -6.215  -6.215
  104   1HB   ASN  13          2HB       ASN  13 -10.713  -7.137  -7.137
  105   2HB   ASN  13          1HB       ASN  13 -11.614  -8.400  -8.400
  106   1HD2  ASN  13          2HD2      ASN  13 -12.063  -8.233  -8.233
  107   2HD2  ASN  13          1HD2      ASN  13 -11.905  -6.783  -6.783
  108    H    THR  14           H        THR  14 -15.213  -6.032  -6.032
  109    HA   THR  14           HA       THR  14 -16.466  -8.616  -8.616
  110    HB   THR  14           HB       THR  14 -17.974  -7.323  -7.323
  111    HG1  THR  14           HG1      THR  14 -16.618  -5.826  -5.826
  112   1HG2  THR  14          2HG2      THR  14 -16.470  -9.266  -9.266
  113   2HG2  THR  14          1HG2      THR  14 -15.155  -8.125  -8.125
  114   3HG2  THR  14          3HG2      THR  14 -16.571  -8.123  -8.123
  115    HA   PRO  15           HA       PRO  15 -18.432  -5.599  -5.599
  116   1HB   PRO  15          2HB       PRO  15 -18.189  -7.177  -7.177
  117   2HB   PRO  15          1HB       PRO  15 -16.993  -5.971  -5.971
  118   1HG   PRO  15          2HG       PRO  15 -16.862  -8.942  -8.942
  119   2HG   PRO  15          1HG       PRO  15 -15.543  -7.764  -7.764
  120   1HD   PRO  15          2HD       PRO  15 -16.378  -9.061  -9.061
  121   2HD   PRO  15          1HD       PRO  15 -15.327  -7.629  -7.629
  122    H    ILE  16           H        ILE  16 -20.304  -6.199  -6.199
  123    HA   ILE  16           HA       ILE  16 -21.988  -8.332  -8.332
  124    HB   ILE  16           HB       ILE  16 -22.602  -7.454  -7.454
  125   1HG1  ILE  16          2HG1      ILE  16 -20.390  -9.460  -9.460
  126   2HG1  ILE  16          1HG1      ILE  16 -20.105  -7.817  -7.817
  127   1HG2  ILE  16          2HG2      ILE  16 -23.089  -9.727  -9.727
  128   2HG2  ILE  16          1HG2      ILE  16 -22.678 -10.220 -10.220
  129   3HG2  ILE  16          3HG2      ILE  16 -24.047  -9.145  -9.145
  130   1HD1  ILE  16          3HD1      ILE  16 -22.050  -9.505  -9.505
  131   2HD1  ILE  16          2HD1      ILE  16 -20.331  -9.843  -9.843
  132   3HD1  ILE  16          1HD1      ILE  16 -20.967  -8.242  -8.242
  133    H    ILE  17           H        ILE  17 -24.437  -7.594  -7.594
  134    HA   ILE  17           HA       ILE  17 -24.854  -4.900  -4.900
  135    HB   ILE  17           HB       ILE  17 -27.187  -6.629  -6.629
  136   1HG1  ILE  17          2HG1      ILE  17 -25.699  -8.271  -8.271
  137   2HG1  ILE  17          1HG1      ILE  17 -27.014  -7.860  -7.860
  138   1HG2  ILE  17          3HG2      ILE  17 -26.488  -4.772  -4.772
  139   2HG2  ILE  17          2HG2      ILE  17 -27.983  -5.704  -5.704
  140   3HG2  ILE  17          1HG2      ILE  17 -27.644  -4.486  -4.486
  141   1HD1  ILE  17          1HD1      ILE  17 -24.916  -5.993  -5.993
  142   2HD1  ILE  17          3HD1      ILE  17 -24.184  -7.597  -7.597
  143   3HD1  ILE  17          2HD1      ILE  17 -25.495  -7.269  -7.269
  144    H    ASN  18           H        ASN  18 -23.731  -5.233  -5.233
  145    HA   ASN  18           HA       ASN  18 -25.708  -3.636  -3.636
  146   1HB   ASN  18          2HB       ASN  18 -24.232  -5.981  -5.981
  147   2HB   ASN  18          1HB       ASN  18 -25.512  -5.004  -5.004
  148   1HD2  ASN  18          2HD2      ASN  18 -28.126  -6.602  -6.602
  149   2HD2  ASN  18          1HD2      ASN  18 -27.696  -5.103  -5.103
  150    H    CYS  19           H        CYS  19 -24.386  -1.800  -1.800
  151    HA   CYS  19           HA       CYS  19 -21.495  -1.947  -1.947
  152   1HB   CYS  19          2HB       CYS  19 -23.259   0.528   0.528
  153   2HB   CYS  19          1HB       CYS  19 -21.499   0.509   0.509
  154    H    ASN  20           H        ASN  20 -24.235  -1.667  -1.667
  155    HA   ASN  20           HA       ASN  20 -22.773  -0.242  -0.242
  156   1HB   ASN  20          2HB       ASN  20 -24.813  -0.864  -0.864
  157   2HB   ASN  20          1HB       ASN  20 -25.143   0.128   0.128
  158   1HD2  ASN  20          2HD2      ASN  20 -26.621  -3.668  -3.668
  159   2HD2  ASN  20          1HD2      ASN  20 -25.576  -3.083  -3.083
  160    H    THR  21           H        THR  21 -23.974  -3.556  -3.556
  161    HA   THR  21           HA       THR  21 -22.977  -4.719  -4.719
  162    HB   THR  21           HB       THR  21 -22.842  -6.829  -6.829
  163    HG1  THR  21           HG1      THR  21 -23.019  -5.750  -5.750
  164   1HG2  THR  21          1HG2      THR  21 -24.900  -5.567  -5.567
  165   2HG2  THR  21          3HG2      THR  21 -25.624  -6.223  -6.223
  166   3HG2  THR  21          2HG2      THR  21 -24.714  -7.277  -7.277
  167    H    ILE  22           H        ILE  22 -21.382  -3.954  -3.954
  168    HA   ILE  22           HA       ILE  22 -18.956  -5.444  -5.444
  169    HB   ILE  22           HB       ILE  22 -18.024  -4.429  -4.429
  170   1HG1  ILE  22          2HG1      ILE  22 -20.708  -3.042  -3.042
  171   2HG1  ILE  22          1HG1      ILE  22 -19.231  -2.227  -2.227
  172   1HG2  ILE  22          1HG2      ILE  22 -20.829  -5.558  -5.558
  173   2HG2  ILE  22          3HG2      ILE  22 -19.763  -5.358  -5.358
  174   3HG2  ILE  22          2HG2      ILE  22 -19.310  -6.451  -6.451
  175   1HD1  ILE  22          3HD1      ILE  22 -18.144  -3.039  -3.039
  176   2HD1  ILE  22          2HD1      ILE  22 -19.736  -3.588  -3.588
  177   3HD1  ILE  22          1HD1      ILE  22 -19.444  -1.873  -1.873
  178    H    MET  23           H        MET  23 -20.029  -2.067  -2.067
  179    HA   MET  23           HA       MET  23 -17.381  -1.269  -1.269
  180   1HB   MET  23          2HB       MET  23 -18.103   1.022   1.022
  181   2HB   MET  23          1HB       MET  23 -18.474   0.130   0.130
  182   1HG   MET  23          2HG       MET  23 -20.554   1.019   1.019
  183   2HG   MET  23          1HG       MET  23 -20.777  -0.225  -0.225
  184   1HE   MET  23          2HE       MET  23 -21.835   0.138   0.138
  185   2HE   MET  23          1HE       MET  23 -21.472   1.192   1.192
  186   3HE   MET  23          3HE       MET  23 -22.630   1.705   1.705
  187    H    ASP  24           H        ASP  24 -19.736  -2.830  -2.830
  188    HA   ASP  24           HA       ASP  24 -20.689  -1.173  -1.173
  189   1HB   ASP  24          2HB       ASP  24 -20.505  -4.122  -4.122
  190   2HB   ASP  24          1HB       ASP  24 -20.847  -3.605  -3.605
  191    H    ASN  25           H        ASN  25 -18.860  -0.032  -0.032
  192    HA   ASN  25           HA       ASN  25 -17.285  -1.388  -1.388
  193   1HB   ASN  25          2HB       ASN  25 -16.070  -1.957  -1.957
  194   2HB   ASN  25          1HB       ASN  25 -15.804  -0.246  -0.246
  195   1HD2  ASN  25          2HD2      ASN  25 -12.791  -0.664  -0.664
  196   2HD2  ASN  25          1HD2      ASN  25 -13.513  -0.264  -0.264
  197    H    ASN  26           H        ASN  26 -16.004   0.166   0.166
  198    HA   ASN  26           HA       ASN  26 -17.270   2.788   2.788
  199   1HB   ASN  26          2HB       ASN  26 -14.850   1.594   1.594
  200   2HB   ASN  26          1HB       ASN  26 -15.500   3.190   3.190
  201   1HD2  ASN  26          2HD2      ASN  26 -18.445   1.904   1.904
  202   2HD2  ASN  26          1HD2      ASN  26 -17.819   3.251   3.251
  203    H    ILE  27           H        ILE  27 -14.730   1.573   1.573
  204    HA   ILE  27           HA       ILE  27 -13.281   4.138   4.138
  205    HB   ILE  27           HB       ILE  27 -12.951   1.634   1.634
  206   1HG1  ILE  27          2HG1      ILE  27 -11.439   2.549   2.549
  207   2HG1  ILE  27          1HG1      ILE  27 -12.624   1.246   1.246
  208   1HG2  ILE  27          1HG2      ILE  27 -11.626   4.279   4.279
  209   2HG2  ILE  27          3HG2      ILE  27 -10.523   2.904   2.904
  210   3HG2  ILE  27          2HG2      ILE  27 -11.678   3.100   3.100
  211   1HD1  ILE  27          1HD1      ILE  27 -10.908   0.573   0.573
  212   2HD1  ILE  27          3HD1      ILE  27  -9.823   1.228   1.228
  213   3HD1  ILE  27          2HD1      ILE  27 -10.881  -0.125  -0.125
  214    H    TYR  28           H        TYR  28 -16.232   3.397   3.397
  215    HA   TYR  28           HA       TYR  28 -15.939   5.112   5.112
  216   1HB   TYR  28          2HB       TYR  28 -17.313   2.406   2.406
  217   2HB   TYR  28          1HB       TYR  28 -17.531   3.584   3.584
  218    HD1  TYR  28           HD2      TYR  28 -15.191   4.633   4.633
  219    HD2  TYR  28           HD1      TYR  28 -15.703   0.761   0.761
  220    HE1  TYR  28           HE2      TYR  28 -13.104   3.863   3.863
  221    HE2  TYR  28           HE1      TYR  28 -13.605  -0.008  -0.008
  222    HH   TYR  28           HH       TYR  28 -12.255   0.668   0.668
  223    H    ILE  29           H        ILE  29 -16.896   6.420   6.420
  224    HA   ILE  29           HA       ILE  29 -19.842   6.552   6.552
  225    HB   ILE  29           HB       ILE  29 -18.674   6.341   6.341
  226   1HG1  ILE  29          2HG1      ILE  29 -20.242   4.276   4.276
  227   2HG1  ILE  29          1HG1      ILE  29 -18.522   4.175   4.175
  228   1HG2  ILE  29          2HG2      ILE  29 -21.357   6.881   6.881
  229   2HG2  ILE  29          1HG2      ILE  29 -21.318   5.860   5.860
  230   3HG2  ILE  29          3HG2      ILE  29 -20.650   7.491   7.491
  231   1HD1  ILE  29          1HD1      ILE  29 -19.216   4.406   4.406
  232   2HD1  ILE  29          3HD1      ILE  29 -20.847   4.027   4.027
  233   3HD1  ILE  29          2HD1      ILE  29 -19.542   2.864   2.864
  234    H    VAL  30           H        VAL  30 -20.755   8.519   8.519
  235    HA   VAL  30           HA       VAL  30 -18.796  10.781  10.781
  236    HB   VAL  30           HB       VAL  30 -21.660  10.805  10.805
  237   1HG1  VAL  30          2HG1      VAL  30 -19.538  12.928  12.928
  238   2HG1  VAL  30          1HG1      VAL  30 -20.829  13.095  13.095
  239   3HG1  VAL  30          3HG1      VAL  30 -21.223  12.967  12.967
  240   1HG2  VAL  30          3HG2      VAL  30 -18.953  10.638  10.638
  241   2HG2  VAL  30          2HG2      VAL  30 -20.427   9.748   9.748
  242   3HG2  VAL  30          1HG2      VAL  30 -20.280  11.446  11.446
  243    H    GLY  31           H        GLY  31 -19.841  12.640  12.640
  244   1HA   GLY  31          2HA       GLY  31 -20.949  11.410  11.410
  245   2HA   GLY  31          1HA       GLY  31 -20.334  13.057  13.057
  246    H    GLY  32           H        GLY  32 -22.832  11.181  11.181
  247   1HA   GLY  32          2HA       GLY  32 -25.011  12.838  12.838
  248   2HA   GLY  32          1HA       GLY  32 -24.616  13.152  13.152
  249    H    GLN  33           H        GLN  33 -24.108  10.795  10.795
  250    HA   GLN  33           HA       GLN  33 -25.896   8.634   8.634
  251   1HB   GLN  33          2HB       GLN  33 -27.529  10.283  10.283
  252   2HB   GLN  33          1HB       GLN  33 -26.666  10.261  10.261
  253   1HG   GLN  33          2HG       GLN  33 -28.233   8.646   8.646
  254   2HG   GLN  33          1HG       GLN  33 -27.027   7.617   7.617
  255   1HE2  GLN  33          2HE2      GLN  33 -29.216   6.708   6.708
  256   2HE2  GLN  33          1HE2      GLN  33 -27.825   6.357   6.357
  257    H    CYS  34           H        CYS  34 -24.850   9.931   9.931
  258    HA   CYS  34           HA       CYS  34 -22.938   7.677   7.677
  259   1HB   CYS  34          2HB       CYS  34 -25.248   8.319   8.319
  260   2HB   CYS  34          1HB       CYS  34 -23.861   7.357   7.357
  261    H    LYS  35           H        LYS  35 -21.970   8.070   8.070
  262    HA   LYS  35           HA       LYS  35 -21.064  10.915  10.915
  263   1HB   LYS  35          2HB       LYS  35 -19.542   8.643   8.643
  264   2HB   LYS  35          1HB       LYS  35 -19.601   8.946   8.946
  265   1HG   LYS  35          2HG       LYS  35 -18.497  10.979  10.979
  266   2HG   LYS  35          1HG       LYS  35 -19.042  11.249  11.249
  267   1HD   LYS  35          2HD       LYS  35 -16.912  10.627  10.627
  268   2HD   LYS  35          1HD       LYS  35 -17.552   8.996   8.996
  269   1HE   LYS  35          2HE       LYS  35 -16.927   9.709   9.709
  270   2HE   LYS  35          1HE       LYS  35 -15.630  10.460  10.460
  271   1HZ   LYS  35          2HZ       LYS  35 -16.455   7.654   7.654
  272   2HZ   LYS  35          1HZ       LYS  35 -15.292   8.074   8.074
  273   3HZ   LYS  35          3HZ       LYS  35 -15.012   8.416   8.416
  274    H    ARG  36           H        ARG  36 -20.609  11.838  11.838
  275    HA   ARG  36           HA       ARG  36 -22.926  11.517  11.517
  276   1HB   ARG  36          2HB       ARG  36 -20.599  13.326  13.326
  277   2HB   ARG  36          1HB       ARG  36 -21.124  13.042  13.042
  278   1HG   ARG  36          2HG       ARG  36 -22.375  14.926  14.926
  279   2HG   ARG  36          1HG       ARG  36 -23.488  13.557  13.557
  280   1HD   ARG  36          2HD       ARG  36 -23.104  13.206  13.206
  281   2HD   ARG  36          1HD       ARG  36 -21.956  14.544  14.544
  282    HE   ARG  36           HE       ARG  36 -24.896  14.826  14.826
  283   1HH1  ARG  36          2HH1      ARG  36 -22.844  16.852  16.852
  284   2HH1  ARG  36          1HH1      ARG  36 -22.928  18.102  18.102
  285   1HH2  ARG  36          1HH2      ARG  36 -24.563  16.121  16.121
  286   2HH2  ARG  36          2HH2      ARG  36 -23.906  17.688  17.688
  287    H    VAL  37           H        VAL  37 -19.684  10.195  10.195
  288    HA   VAL  37           HA       VAL  37 -20.371   8.467   8.467
  289    HB   VAL  37           HB       VAL  37 -19.488  10.554  10.554
  290   1HG1  VAL  37          1HG1      VAL  37 -17.775  10.971  10.971
  291   2HG1  VAL  37          3HG1      VAL  37 -16.773   9.780   9.780
  292   3HG1  VAL  37          2HG1      VAL  37 -17.251  11.261  11.261
  293   1HG2  VAL  37          3HG2      VAL  37 -19.257   8.168   8.168
  294   2HG2  VAL  37          2HG2      VAL  37 -18.163   9.373   9.373
  295   3HG2  VAL  37          1HG2      VAL  37 -17.580   8.239   8.239
  296    H    ASN  38           H        ASN  38 -19.911   6.571   6.571
  297    HA   ASN  38           HA       ASN  38 -17.525   6.201   6.201
  298   1HB   ASN  38          2HB       ASN  38 -19.531   4.054   4.054
  299   2HB   ASN  38          1HB       ASN  38 -18.438   4.067   4.067
  300   1HD2  ASN  38          2HD2      ASN  38 -21.777   4.974   4.974
  301   2HD2  ASN  38          1HD2      ASN  38 -21.069   3.608   3.608
  302    H    THR  39           H        THR  39 -16.033   6.587   6.587
  303    HA   THR  39           HA       THR  39 -16.049   4.909   4.909
  304    HB   THR  39           HB       THR  39 -13.853   6.742   6.742
  305    HG1  THR  39           HG1      THR  39 -15.208   8.270   8.270
  306   1HG2  THR  39          3HG2      THR  39 -13.858   4.968   4.968
  307   2HG2  THR  39          2HG2      THR  39 -14.382   6.467   6.467
  308   3HG2  THR  39          1HG2      THR  39 -12.852   6.412   6.412
  309    H    PHE  40           H        PHE  40 -15.561   2.810   2.810
  310    HA   PHE  40           HA       PHE  40 -13.288   2.029   2.029
  311   1HB   PHE  40          2HB       PHE  40 -15.165   0.158   0.158
  312   2HB   PHE  40          1HB       PHE  40 -14.192  -0.189  -0.189
  313    HD1  PHE  40           HD1      PHE  40 -14.701   1.941   1.941
  314    HD2  PHE  40           HD2      PHE  40 -17.436   0.060   0.060
  315    HE1  PHE  40           HE1      PHE  40 -16.602   2.586   2.586
  316    HE2  PHE  40           HE2      PHE  40 -19.334   0.713   0.713
  317    HZ   PHE  40           HZ       PHE  40 -18.918   1.971   1.971
  318    H    ILE  41           H        ILE  41 -11.600   0.533   0.533
  319    HA   ILE  41           HA       ILE  41 -11.354   1.055   1.055
  320    HB   ILE  41           HB       ILE  41  -9.207   0.636   0.636
  321   1HG1  ILE  41          2HG1      ILE  41  -8.736   3.055   3.055
  322   2HG1  ILE  41          1HG1      ILE  41 -10.494   2.990   2.990
  323   1HG2  ILE  41          2HG2      ILE  41  -9.059   0.050   0.050
  324   2HG2  ILE  41          1HG2      ILE  41  -8.320   1.642   1.642
  325   3HG2  ILE  41          3HG2      ILE  41  -7.697   0.287   0.287
  326   1HD1  ILE  41          1HD1      ILE  41 -10.553   2.397   2.397
  327   2HD1  ILE  41          3HD1      ILE  41  -8.817   2.701   2.701
  328   3HD1  ILE  41          2HD1      ILE  41  -9.929   4.012   4.012
  329    H    ILE  42           H        ILE  42 -11.474  -0.692  -0.692
  330    HA   ILE  42           HA       ILE  42 -11.202  -3.402  -3.402
  331    HB   ILE  42           HB       ILE  42 -13.404  -2.930  -2.930
  332   1HG1  ILE  42          2HG1      ILE  42 -11.932  -4.901  -4.901
  333   2HG1  ILE  42          1HG1      ILE  42 -12.239  -5.226  -5.226
  334   1HG2  ILE  42          1HG2      ILE  42 -12.453  -1.367  -1.367
  335   2HG2  ILE  42          3HG2      ILE  42 -11.953  -2.810  -2.810
  336   3HG2  ILE  42          2HG2      ILE  42 -13.661  -2.514  -2.514
  337   1HD1  ILE  42          1HD1      ILE  42 -14.659  -4.264  -4.264
  338   2HD1  ILE  42          3HD1      ILE  42 -14.013  -5.636  -5.636
  339   3HD1  ILE  42          2HD1      ILE  42 -14.369  -5.799  -5.799
  340    H    SER  43           H        SER  43  -9.360  -4.404  -4.404
  341    HA   SER  43           HA       SER  43  -8.218  -4.970  -4.970
  342   1HB   SER  43          2HB       SER  43  -7.700  -2.571  -2.571
  343   2HB   SER  43          1HB       SER  43  -6.938  -2.579  -2.579
  344    HG   SER  43           HG       SER  43  -5.759  -2.992  -2.992
  345    H    SER  44           H        SER  44  -6.212  -6.198  -6.198
  346    HA   SER  44           HA       SER  44  -6.005  -7.656  -7.656
  347   1HB   SER  44          2HB       SER  44  -3.565  -8.105  -8.105
  348   2HB   SER  44          1HB       SER  44  -5.011  -8.849  -8.849
  349    HG   SER  44           HG       SER  44  -4.331  -7.912  -7.912
  350    H    ALA  45           H        ALA  45  -5.322  -6.985  -6.985
  351    HA   ALA  45           HA       ALA  45  -4.419  -4.502  -4.502
  352   1HB   ALA  45          3HB       ALA  45  -4.015  -7.205  -7.205
  353   2HB   ALA  45          2HB       ALA  45  -3.384  -5.750  -5.750
  354   3HB   ALA  45          1HB       ALA  45  -5.115  -5.915  -5.915
  355    H    THR  46           H        THR  46  -2.196  -7.270  -7.270
  356    HA   THR  46           HA       THR  46   0.165  -5.796  -5.796
  357    HB   THR  46           HB       THR  46   0.173  -8.193  -8.193
  358    HG1  THR  46           HG1      THR  46   2.182  -7.847  -7.847
  359   1HG2  THR  46          1HG2      THR  46  -0.843  -7.811  -7.811
  360   2HG2  THR  46          3HG2      THR  46   0.317  -9.124  -9.124
  361   3HG2  THR  46          2HG2      THR  46  -1.170  -9.110  -9.110
  362    H    THR  47           H        THR  47  -1.672  -5.979  -5.979
  363    HA   THR  47           HA       THR  47   0.372  -4.907  -4.907
  364    HB   THR  47           HB       THR  47  -2.545  -4.257  -4.257
  365    HG1  THR  47           HG1      THR  47  -1.262  -6.761  -6.761
  366   1HG2  THR  47          3HG2      THR  47  -0.135  -4.158  -4.158
  367   2HG2  THR  47          2HG2      THR  47  -1.195  -5.372  -5.372
  368   3HG2  THR  47          1HG2      THR  47  -1.769  -3.720  -3.720
  369    H    VAL  48           H        VAL  48  -1.964  -3.530  -3.530
  370    HA   VAL  48           HA       VAL  48  -1.443  -0.749  -0.749
  371    HB   VAL  48           HB       VAL  48  -2.496  -1.947  -1.947
  372   1HG1  VAL  48          3HG1      VAL  48  -1.753   0.668   0.668
  373   2HG1  VAL  48          2HG1      VAL  48  -3.497   0.665   0.665
  374   3HG1  VAL  48          1HG1      VAL  48  -2.838   0.164   0.164
  375   1HG2  VAL  48          1HG2      VAL  48  -3.720  -1.532  -1.532
  376   2HG2  VAL  48          3HG2      VAL  48  -4.146  -2.682  -2.682
  377   3HG2  VAL  48          2HG2      VAL  48  -4.684  -1.008  -1.008
  378    H    LYS  49           H        LYS  49  -0.119  -3.183  -3.183
  379    HA   LYS  49           HA       LYS  49   1.516  -1.523  -1.523
  380   1HB   LYS  49          2HB       LYS  49   0.992  -3.952  -3.952
  381   2HB   LYS  49          1HB       LYS  49   2.101  -4.371  -4.371
  382   1HG   LYS  49          2HG       LYS  49   3.967  -3.385  -3.385
  383   2HG   LYS  49          1HG       LYS  49   2.901  -2.720  -2.720
  384   1HD   LYS  49          2HD       LYS  49   3.550  -4.630  -4.630
  385   2HD   LYS  49          1HD       LYS  49   2.193  -5.301  -5.301
  386   1HE   LYS  49          2HE       LYS  49   3.794  -5.936  -5.936
  387   2HE   LYS  49          1HE       LYS  49   5.118  -5.394  -5.394
  388   1HZ   LYS  49          1HZ       LYS  49   3.571  -7.094  -7.094
  389   2HZ   LYS  49          3HZ       LYS  49   3.721  -7.858  -7.858
  390   3HZ   LYS  49          2HZ       LYS  49   5.110  -7.400  -7.400
  391    H    ALA  50           H        ALA  50   1.815  -2.557  -2.557
  392    HA   ALA  50           HA       ALA  50   4.688  -2.041  -2.041
  393   1HB   ALA  50          1HB       ALA  50   2.639  -3.223  -3.223
  394   2HB   ALA  50          3HB       ALA  50   3.616  -2.070  -2.070
  395   3HB   ALA  50          2HB       ALA  50   4.389  -3.413  -3.413
  396    H    ILE  51           H        ILE  51   1.659  -0.318  -0.318
  397    HA   ILE  51           HA       ILE  51   2.916   1.840   1.840
  398    HB   ILE  51           HB       ILE  51   0.481   1.336   1.336
  399   1HG1  ILE  51          2HG1      ILE  51  -0.222   3.816   3.816
  400   2HG1  ILE  51          1HG1      ILE  51   1.459   4.087   4.087
  401   1HG2  ILE  51          3HG2      ILE  51   0.673   1.866   1.866
  402   2HG2  ILE  51          2HG2      ILE  51  -0.610   2.790   2.790
  403   3HG2  ILE  51          1HG2      ILE  51  -0.586   1.033   1.033
  404   1HD1  ILE  51          2HD1      ILE  51   1.545   2.490   2.490
  405   2HD1  ILE  51          1HD1      ILE  51   0.321   3.723   3.723
  406   3HD1  ILE  51          3HD1      ILE  51   1.957   4.201   4.201
  407    H    CYS  52           H        CYS  52   2.600   1.198   1.198
  408    HA   CYS  52           HA       CYS  52   3.447   3.967   3.967
  409   1HB   CYS  52          2HB       CYS  52   1.671   2.258   2.258
  410   2HB   CYS  52          1HB       CYS  52   3.122   2.109   2.109
  411    H    THR  53           H        THR  53   5.197   1.818   1.818
  412    HA   THR  53           HA       THR  53   7.194   1.261   1.261
  413    HB   THR  53           HB       THR  53   7.518   0.739   0.739
  414    HG1  THR  53           HG1      THR  53   6.179  -0.802  -0.802
  415   1HG2  THR  53          1HG2      THR  53   8.674  -0.367  -0.367
  416   2HG2  THR  53          3HG2      THR  53   8.800  -1.238  -1.238
  417   3HG2  THR  53          2HG2      THR  53   9.528   0.360   0.360
  418    H    GLY  54           H        GLY  54   8.482   2.958   2.958
  419   1HA   GLY  54          2HA       GLY  54  10.109   4.268   4.268
  420   2HA   GLY  54          1HA       GLY  54   8.935   5.357   5.357
  421    H    VAL  55           H        VAL  55   8.926   4.910   4.910
  422    HA   VAL  55           HA       VAL  55  11.555   4.396   4.396
  423    HB   VAL  55           HB       VAL  55  11.645   6.716   6.716
  424   1HG1  VAL  55          3HG1      VAL  55   9.268   7.171   7.171
  425   2HG1  VAL  55          2HG1      VAL  55  10.374   7.914   7.914
  426   3HG1  VAL  55          1HG1      VAL  55  10.366   8.448   8.448
  427   1HG2  VAL  55          3HG2      VAL  55  12.908   5.721   5.721
  428   2HG2  VAL  55          2HG2      VAL  55  13.278   7.283   7.283
  429   3HG2  VAL  55          1HG2      VAL  55  12.200   7.196   7.196
  430    H    ILE  56           H        ILE  56  11.355   5.343   5.343
  431    HA   ILE  56           HA       ILE  56   8.998   3.973   3.973
  432    HB   ILE  56           HB       ILE  56  11.295   3.716   3.716
  433   1HG1  ILE  56          2HG1      ILE  56   9.569   5.009   5.009
  434   2HG1  ILE  56          1HG1      ILE  56   9.079   3.498   3.498
  435   1HG2  ILE  56          1HG2      ILE  56  11.964   6.119   6.119
  436   2HG2  ILE  56          3HG2      ILE  56  10.916   6.540   6.540
  437   3HG2  ILE  56          2HG2      ILE  56  12.311   5.492   5.492
  438   1HD1  ILE  56          1HD1      ILE  56  11.390   2.602   2.602
  439   2HD1  ILE  56          3HD1      ILE  56  11.584   4.036   4.036
  440   3HD1  ILE  56          2HD1      ILE  56  10.302   2.876   2.876
  441    H    ASN  57           H        ASN  57   8.787   6.749   6.749
  442    HA   ASN  57           HA       ASN  57   6.619   7.849   7.849
  443   1HB   ASN  57          2HB       ASN  57   8.684   8.369   8.369
  444   2HB   ASN  57          1HB       ASN  57   9.032   9.602   9.602
  445   1HD2  ASN  57          2HD2      ASN  57   5.541   9.954   9.954
  446   2HD2  ASN  57          1HD2      ASN  57   6.191   8.408   8.408
  447    H    MET  58           H        MET  58   5.603   8.636   8.636
  448    HA   MET  58           HA       MET  58   6.842  10.776  10.776
  449   1HB   MET  58          2HB       MET  58   7.463   8.210   8.210
  450   2HB   MET  58          1HB       MET  58   6.081   8.602   8.602
  451   1HG   MET  58          2HG       MET  58   7.335  10.874  10.874
  452   2HG   MET  58          1HG       MET  58   8.749   9.977   9.977
  453   1HE   MET  58          3HE       MET  58  10.200   8.909   8.909
  454   2HE   MET  58          2HE       MET  58   9.282   7.425   7.425
  455   3HE   MET  58          1HE       MET  58   9.849   7.843   7.843
  456    H    ASN  59           H        ASN  59   5.367  11.033  11.033
  457    HA   ASN  59           HA       ASN  59   2.487  10.591  10.591
  458   1HB   ASN  59          2HB       ASN  59   3.124  12.885  12.885
  459   2HB   ASN  59          1HB       ASN  59   3.700  13.249  13.249
  460   1HD2  ASN  59          2HD2      ASN  59   0.460  13.814  13.814
  461   2HD2  ASN  59          1HD2      ASN  59   2.123  13.718  13.718
  462    H    VAL  60           H        VAL  60   1.573   9.662   9.662
  463    HA   VAL  60           HA       VAL  60   2.545  10.478  10.478
  464    HB   VAL  60           HB       VAL  60   3.916   8.536   8.536
  465   1HG1  VAL  60          2HG1      VAL  60   1.955   7.698   7.698
  466   2HG1  VAL  60          1HG1      VAL  60   1.460   6.816   6.816
  467   3HG1  VAL  60          3HG1      VAL  60   3.052   6.531   6.531
  468   1HG2  VAL  60          3HG2      VAL  60   3.078   8.798   8.798
  469   2HG2  VAL  60          2HG2      VAL  60   3.470   7.140   7.140
  470   3HG2  VAL  60          1HG2      VAL  60   1.788   7.662   7.662
  471    H    LEU  61           H        LEU  61   1.078   9.640   9.640
  472    HA   LEU  61           HA       LEU  61  -1.711   9.217   9.217
  473   1HB   LEU  61          2HB       LEU  61  -0.973  10.651  10.651
  474   2HB   LEU  61          1HB       LEU  61  -2.550  10.592  10.592
  475    HG   LEU  61           HG       LEU  61  -1.209  11.671  11.671
  476   1HD1  LEU  61          1HD1      LEU  61   0.557  11.964  11.964
  477   2HD1  LEU  61          3HD1      LEU  61   0.351  13.399  13.399
  478   3HD1  LEU  61          2HD1      LEU  61   0.974  11.909  11.909
  479   1HD2  LEU  61          1HD2      LEU  61  -3.122  12.641  12.641
  480   2HD2  LEU  61          3HD2      LEU  61  -1.963  13.841  13.841
  481   3HD2  LEU  61          2HD2      LEU  61  -1.936  13.309  13.309
  482    H    SER  62           H        SER  62  -2.366   7.192   7.192
  483    HA   SER  62           HA       SER  62  -1.116   5.419   5.419
  484   1HB   SER  62          2HB       SER  62  -4.077   5.315   5.315
  485   2HB   SER  62          1HB       SER  62  -2.940   3.987   3.987
  486    HG   SER  62           HG       SER  62  -3.511   4.346   4.346
  487    H    THR  63           H        THR  63  -0.711   6.531   6.531
  488    HA   THR  63           HA       THR  63  -2.818   7.859   7.859
  489    HB   THR  63           HB       THR  63  -1.008   7.512   7.512
  490    HG1  THR  63           HG1      THR  63   0.848   6.785   6.785
  491   1HG2  THR  63          1HG2      THR  63  -0.976   9.339   9.339
  492   2HG2  THR  63          3HG2      THR  63   0.339   9.427   9.427
  493   3HG2  THR  63          2HG2      THR  63  -1.324   9.707   9.707
  494    H    THR  64           H        THR  64  -1.068   4.766   4.766
  495    HA   THR  64           HA       THR  64  -2.571   3.776   3.776
  496    HB   THR  64           HB       THR  64  -1.963   1.467   1.467
  497    HG1  THR  64           HG1      THR  64  -0.029   1.879   1.879
  498   1HG2  THR  64          3HG2      THR  64   0.023   3.437   3.437
  499   2HG2  THR  64          2HG2      THR  64   0.355   1.718   1.718
  500   3HG2  THR  64          1HG2      THR  64  -0.919   2.235   2.235
  501    H    ARG  65           H        ARG  65  -4.708   3.516   3.516
  502    HA   ARG  65           HA       ARG  65  -6.571   3.706   3.706
  503   1HB   ARG  65          2HB       ARG  65  -8.131   2.502   2.502
  504   2HB   ARG  65          1HB       ARG  65  -7.126   3.615   3.615
  505   1HG   ARG  65          2HG       ARG  65  -5.591   1.369   1.369
  506   2HG   ARG  65          1HG       ARG  65  -7.201   0.656   0.656
  507   1HD   ARG  65          2HD       ARG  65  -7.519   1.176   1.176
  508   2HD   ARG  65          1HD       ARG  65  -7.234   2.882   2.882
  509    HE   ARG  65           HE       ARG  65  -4.713   2.153   2.153
  510   1HH1  ARG  65          1HH2      ARG  65  -5.245  -0.600  -0.600
  511   2HH1  ARG  65          2HH2      ARG  65  -5.245  -0.434  -0.434
  512   1HH2  ARG  65          2HH1      ARG  65  -5.628   3.009   3.009
  513   2HH2  ARG  65          1HH1      ARG  65  -5.461   1.608   1.608
  514    H    PHE  66           H        PHE  66  -6.446   2.645   2.645
  515    HA   PHE  66           HA       PHE  66  -5.854  -0.294  -0.294
  516   1HB   PHE  66          2HB       PHE  66  -5.937   1.880   1.880
  517   2HB   PHE  66          1HB       PHE  66  -6.076   0.191   0.191
  518    HD1  PHE  66           HD2      PHE  66  -4.197  -1.406  -1.406
  519    HD2  PHE  66           HD1      PHE  66  -3.842   2.779   2.779
  520    HE1  PHE  66           HE2      PHE  66  -1.748  -1.654  -1.654
  521    HE2  PHE  66           HE1      PHE  66  -1.389   2.511   2.511
  522    HZ   PHE  66           HZ       PHE  66  -0.343   0.297   0.297
  523    H    GLN  67           H        GLN  67  -8.316   0.467   0.467
  524    HA   GLN  67           HA       GLN  67 -10.653   0.258   0.258
  525   1HB   GLN  67          2HB       GLN  67  -9.316  -2.130  -2.130
  526   2HB   GLN  67          1HB       GLN  67 -10.492  -2.167  -2.167
  527   1HG   GLN  67          2HG       GLN  67 -11.446  -3.162  -3.162
  528   2HG   GLN  67          1HG       GLN  67 -12.305  -1.683  -1.683
  529   1HE2  GLN  67          2HE2      GLN  67  -9.613  -1.241  -1.241
  530   2HE2  GLN  67          1HE2      GLN  67  -9.135  -2.060  -2.060
  531    H    LEU  68           H        LEU  68 -11.858   1.698   1.698
  532    HA   LEU  68           HA       LEU  68 -11.801   1.513   1.513
  533   1HB   LEU  68          2HB       LEU  68 -12.842   3.683   3.683
  534   2HB   LEU  68          1HB       LEU  68 -11.572   3.749   3.749
  535    HG   LEU  68           HG       LEU  68 -13.469   3.141   3.141
  536   1HD1  LEU  68          2HD1      LEU  68 -14.959   3.335   3.335
  537   2HD1  LEU  68          1HD1      LEU  68 -15.527   4.566   4.566
  538   3HD1  LEU  68          3HD1      LEU  68 -15.535   2.868   2.868
  539   1HD2  LEU  68          1HD2      LEU  68 -12.648   5.684   5.684
  540   2HD2  LEU  68          3HD2      LEU  68 -12.928   5.280   5.280
  541   3HD2  LEU  68          2HD2      LEU  68 -14.271   5.771   5.771
  542    H    ASN  69           H        ASN  69 -13.601   1.230   1.230
  543    HA   ASN  69           HA       ASN  69 -16.120   0.275   0.275
  544   1HB   ASN  69          2HB       ASN  69 -14.652  -1.410  -1.410
  545   2HB   ASN  69          1HB       ASN  69 -15.380  -0.555  -0.555
  546   1HD2  ASN  69          2HD2      ASN  69 -17.793  -2.833  -2.833
  547   2HD2  ASN  69          1HD2      ASN  69 -16.289  -2.310  -2.310
  548    H    THR  70           H        THR  70 -17.201   2.318   2.318
  549    HA   THR  70           HA       THR  70 -17.147   3.655   3.655
  550    HB   THR  70           HB       THR  70 -17.989   4.847   4.847
  551    HG1  THR  70           HG1      THR  70 -15.549   5.041   5.041
  552   1HG2  THR  70          1HG2      THR  70 -17.290   6.080   6.080
  553   2HG2  THR  70          3HG2      THR  70 -17.694   6.974   6.974
  554   3HG2  THR  70          2HG2      THR  70 -18.910   5.962   5.962
  555    H    CYS  71           H        CYS  71 -18.827   3.733   3.733
  556    HA   CYS  71           HA       CYS  71 -21.562   3.204   3.204
  557   1HB   CYS  71          2HB       CYS  71 -20.490   2.731   2.731
  558   2HB   CYS  71          1HB       CYS  71 -22.173   2.533   2.533
  559    H    THR  72           H        THR  72 -22.481   5.222   5.222
  560    HA   THR  72           HA       THR  72 -21.667   7.339   7.339
  561    HB   THR  72           HB       THR  72 -23.086   7.849   7.849
  562    HG1  THR  72           HG1      THR  72 -21.362   6.932   6.932
  563   1HG2  THR  72          1HG2      THR  72 -21.221   9.448   9.448
  564   2HG2  THR  72          3HG2      THR  72 -21.781   9.988   9.988
  565   3HG2  THR  72          2HG2      THR  72 -22.937   9.747   9.747
  566    H    ARG  73           H        ARG  73 -23.190   8.515   8.515
  567    HA   ARG  73           HA       ARG  73 -25.754   7.340   7.340
  568   1HB   ARG  73          2HB       ARG  73 -24.425   8.773   8.773
  569   2HB   ARG  73          1HB       ARG  73 -24.810  10.166  10.166
  570   1HG   ARG  73          2HG       ARG  73 -27.237   9.707   9.707
  571   2HG   ARG  73          1HG       ARG  73 -26.790   8.403   8.403
  572   1HD   ARG  73          2HD       ARG  73 -25.327  10.312  10.312
  573   2HD   ARG  73          1HD       ARG  73 -26.511  11.363  11.363
  574    HE   ARG  73           HE       ARG  73 -27.110   9.357   9.357
  575   1HH1  ARG  73          2HH1      ARG  73 -28.919  10.417  10.417
  576   2HH1  ARG  73          1HH1      ARG  73 -30.048  11.355  11.355
  577   1HH2  ARG  73          1HH2      ARG  73 -28.197  11.195  11.195
  578   2HH2  ARG  73          2HH2      ARG  73 -29.636  11.798  11.798
  579    H    THR  74           H        THR  74 -27.341   7.314   7.314
  580    HA   THR  74           HA       THR  74 -27.725   9.828   9.828
  581    HB   THR  74           HB       THR  74 -28.720   8.297   8.297
  582    HG1  THR  74           HG1      THR  74 -28.352   6.137   6.137
  583   1HG2  THR  74          2HG2      THR  74 -26.381   9.211   9.211
  584   2HG2  THR  74          1HG2      THR  74 -25.842   7.724   7.724
  585   3HG2  THR  74          3HG2      THR  74 -26.551   7.667   7.667
  586    H    SER  75           H        SER  75 -30.272   7.628   7.628
  587    HA   SER  75           HA       SER  75 -31.991   8.638   8.638
  588   1HB   SER  75          2HB       SER  75 -33.679   9.419   9.419
  589   2HB   SER  75          1HB       SER  75 -32.190  10.358  10.358
  590    HG   SER  75           HG       SER  75 -32.814   8.173   8.173
  591    H    ILE  76           H        ILE  76 -34.176   7.561   7.561
  592    HA   ILE  76           HA       ILE  76 -35.505   5.646   5.646
  593    HB   ILE  76           HB       ILE  76 -34.056   4.759   4.759
  594   1HG1  ILE  76          2HG1      ILE  76 -36.198   6.914   6.914
  595   2HG1  ILE  76          1HG1      ILE  76 -34.498   7.218   7.218
  596   1HG2  ILE  76          2HG2      ILE  76 -36.041   3.568   3.568
  597   2HG2  ILE  76          1HG2      ILE  76 -37.023   4.806   4.806
  598   3HG2  ILE  76          3HG2      ILE  76 -36.071   3.687   3.687
  599   1HD1  ILE  76          3HD1      ILE  76 -35.005   5.275   5.275
  600   2HD1  ILE  76          2HD1      ILE  76 -36.599   6.024   6.024
  601   3HD1  ILE  76          1HD1      ILE  76 -35.195   6.995   6.995
  602    H    THR  77           H        THR  77 -34.119   3.045   3.045
  603    HA   THR  77           HA       THR  77 -32.956   1.226   1.226
  604    HB   THR  77           HB       THR  77 -30.946   2.585   2.585
  605    HG1  THR  77           HG1      THR  77 -31.330   3.737   3.737
  606   1HG2  THR  77          1HG2      THR  77 -31.113   0.632   0.632
  607   2HG2  THR  77          3HG2      THR  77 -30.198   1.933   1.933
  608   3HG2  THR  77          2HG2      THR  77 -29.633   1.228   1.228
  609    HA   PRO  78           HA       PRO  78 -34.139   0.707   0.707
  610   1HB   PRO  78          2HB       PRO  78 -32.042  -0.537  -0.537
  611   2HB   PRO  78          1HB       PRO  78 -33.145  -1.360  -1.360
  612   1HG   PRO  78          2HG       PRO  78 -30.325  -0.504  -0.504
  613   2HG   PRO  78          1HG       PRO  78 -31.242  -1.799  -1.799
  614   1HD   PRO  78          2HD       PRO  78 -30.675   0.736   0.736
  615   2HD   PRO  78          1HD       PRO  78 -31.850  -0.430  -0.430
  616    H    ARG  79           H        ARG  79 -34.393   2.648   2.648
  617    HA   ARG  79           HA       ARG  79 -32.051   4.213   4.213
  618   1HB   ARG  79          2HB       ARG  79 -33.746   6.004   6.004
  619   2HB   ARG  79          1HB       ARG  79 -33.815   5.374   5.374
  620   1HG   ARG  79          2HG       ARG  79 -35.947   4.718   4.718
  621   2HG   ARG  79          1HG       ARG  79 -35.535   3.813   3.813
  622   1HD   ARG  79          2HD       ARG  79 -35.792   6.813   6.813
  623   2HD   ARG  79          1HD       ARG  79 -37.222   5.786   5.786
  624    HE   ARG  79           HE       ARG  79 -34.928   5.432   5.432
  625   1HH1  ARG  79          1HH2      ARG  79 -36.342   3.777   3.777
  626   2HH1  ARG  79          2HH2      ARG  79 -37.708   4.547   4.547
  627   1HH2  ARG  79          2HH1      ARG  79 -37.538   7.363   7.363
  628   2HH2  ARG  79          1HH1      ARG  79 -38.387   6.575   6.575
  629    HA   PRO  80           HA       PRO  80 -32.333   6.210   6.210
  630   1HB   PRO  80          2HB       PRO  80 -30.678   6.671   6.671
  631   2HB   PRO  80          1HB       PRO  80 -32.405   7.068   7.068
  632   1HG   PRO  80          2HG       PRO  80 -30.999   4.818   4.818
  633   2HG   PRO  80          1HG       PRO  80 -32.494   5.651   5.651
  634   1HD   PRO  80          2HD       PRO  80 -32.348   3.132   3.132
  635   2HD   PRO  80          1HD       PRO  80 -33.798   4.152   4.152
  636    H    CYS  81           H        CYS  81 -30.020   7.022   7.022
  637    HA   CYS  81           HA       CYS  81 -27.878   6.755   6.755
  638   1HB   CYS  81          2HB       CYS  81 -27.989   4.311   4.311
  639   2HB   CYS  81          1HB       CYS  81 -26.534   4.863   4.863
  640    HA   PRO  82           HA       PRO  82 -29.432   3.590   3.590
  641   1HB   PRO  82          2HB       PRO  82 -30.151   5.358   5.358
  642   2HB   PRO  82          1HB       PRO  82 -31.270   4.785   4.785
  643   1HG   PRO  82          2HG       PRO  82 -29.974   7.449   7.449
  644   2HG   PRO  82          1HG       PRO  82 -31.481   7.011   7.011
  645   1HD   PRO  82          2HD       PRO  82 -28.978   7.506   7.506
  646   2HD   PRO  82          1HD       PRO  82 -30.419   6.814   6.814
  647    H    TYR  83           H        TYR  83 -27.890   2.814   2.814
  648    HA   TYR  83           HA       TYR  83 -25.856   4.778   4.778
  649   1HB   TYR  83          2HB       TYR  83 -25.353   2.236   2.236
  650   2HB   TYR  83          1HB       TYR  83 -24.178   2.791   2.791
  651    HD1  TYR  83           HD2      TYR  83 -26.217   4.077   4.077
  652    HD2  TYR  83           HD1      TYR  83 -22.590   4.352   4.352
  653    HE1  TYR  83           HE2      TYR  83 -25.367   5.790   5.790
  654    HE2  TYR  83           HE1      TYR  83 -21.738   6.068   6.068
  655    HH   TYR  83           HH       TYR  83 -22.942   6.585   6.585
  656    H    SER  84           H        SER  84 -25.232   4.555   4.555
  657    HA   SER  84           HA       SER  84 -26.236   2.183   2.183
  658   1HB   SER  84          2HB       SER  84 -25.768   3.824   3.824
  659   2HB   SER  84          1HB       SER  84 -27.181   4.142   4.142
  660    HG   SER  84           HG       SER  84 -24.605   5.313   5.313
  661    H    SER  85           H        SER  85 -24.660   0.852   0.852
  662    HA   SER  85           HA       SER  85 -21.827   1.614   1.614
  663   1HB   SER  85          2HB       SER  85 -22.867  -1.065  -1.065
  664   2HB   SER  85          1HB       SER  85 -21.328  -0.718  -0.718
  665    HG   SER  85           HG       SER  85 -23.575  -1.415  -1.415
  666    H    ARG  86           H        ARG  86 -20.275   1.638   1.638
  667    HA   ARG  86           HA       ARG  86 -20.896   0.905   0.905
  668   1HB   ARG  86          2HB       ARG  86 -21.912   3.198   3.198
  669   2HB   ARG  86          1HB       ARG  86 -20.304   3.811   3.811
  670   1HG   ARG  86          2HG       ARG  86 -19.539   3.586   3.586
  671   2HG   ARG  86          1HG       ARG  86 -20.520   2.155   2.155
  672   1HD   ARG  86          2HD       ARG  86 -22.073   4.628   4.628
  673   2HD   ARG  86          1HD       ARG  86 -21.064   4.642   4.642
  674    HE   ARG  86           HE       ARG  86 -22.379   2.852   2.852
  675   1HH1  ARG  86          2HH1      ARG  86 -23.209   0.800   0.800
  676   2HH1  ARG  86          1HH1      ARG  86 -24.687   1.182   1.182
  677   1HH2  ARG  86          1HH2      ARG  86 -24.289   4.610   4.610
  678   2HH2  ARG  86          2HH2      ARG  86 -25.298   3.339   3.339
  679    H    THR  87           H        THR  87 -18.995   0.462   0.462
  680    HA   THR  87           HA       THR  87 -16.439   0.837   0.837
  681    HB   THR  87           HB       THR  87 -16.733  -0.782  -0.782
  682    HG1  THR  87           HG1      THR  87 -17.978  -2.103  -2.103
  683   1HG2  THR  87          3HG2      THR  87 -14.957  -0.874  -0.874
  684   2HG2  THR  87          2HG2      THR  87 -14.981  -2.141  -2.141
  685   3HG2  THR  87          1HG2      THR  87 -14.480  -0.505  -0.505
  686    H    GLU  88           H        GLU  88 -14.589   1.756   1.756
  687    HA   GLU  88           HA       GLU  88 -14.767   2.852   2.852
  688   1HB   GLU  88          2HB       GLU  88 -15.927   4.418   4.418
  689   2HB   GLU  88          1HB       GLU  88 -14.277   5.031   5.031
  690   1HG   GLU  88          2HG       GLU  88 -14.699   4.868   4.868
  691   2HG   GLU  88          1HG       GLU  88 -16.338   5.207   5.207
  692    H    THR  89           H        THR  89 -12.809   4.849   4.849
  693    HA   THR  89           HA       THR  89 -10.364   3.250   3.250
  694    HB   THR  89           HB       THR  89 -10.780   6.231   6.231
  695    HG1  THR  89           HG1      THR  89 -11.186   5.619   5.619
  696   1HG2  THR  89          1HG2      THR  89  -8.414   4.833   4.833
  697   2HG2  THR  89          3HG2      THR  89  -8.408   5.011   5.011
  698   3HG2  THR  89          2HG2      THR  89  -8.542   6.433   6.433
  699    H    ASN  90           H        ASN  90  -9.114   3.122   3.122
  700    HA   ASN  90           HA       ASN  90  -9.871   4.888   4.888
  701   1HB   ASN  90          2HB       ASN  90  -9.726   2.427   2.427
  702   2HB   ASN  90          1HB       ASN  90  -7.999   2.526   2.526
  703   1HD2  ASN  90          2HD2      ASN  90  -9.459   3.624   3.624
  704   2HD2  ASN  90          1HD2      ASN  90 -10.456   2.963   2.963
  705    H    TYR  91           H        TYR  91  -8.930   6.782   6.782
  706    HA   TYR  91           HA       TYR  91  -5.939   6.890   6.890
  707   1HB   TYR  91          2HB       TYR  91  -6.376   9.364   9.364
  708   2HB   TYR  91          1HB       TYR  91  -6.611   8.132   8.132
  709    HD1  TYR  91           HD2      TYR  91  -8.903   7.404   7.404
  710    HD2  TYR  91           HD1      TYR  91  -8.226  10.644  10.644
  711    HE1  TYR  91           HE2      TYR  91 -11.241   8.154   8.154
  712    HE2  TYR  91           HE1      TYR  91 -10.569  11.397  11.397
  713    HH   TYR  91           HH       TYR  91 -12.874   9.921   9.921
  714    H    ILE  92           H        ILE  92  -5.511   6.884   6.884
  715    HA   ILE  92           HA       ILE  92  -7.153   8.738   8.738
  716    HB   ILE  92           HB       ILE  92  -7.504   6.327   6.327
  717   1HG1  ILE  92          2HG1      ILE  92  -6.013   7.462   7.462
  718   2HG1  ILE  92          1HG1      ILE  92  -7.539   8.158   8.158
  719   1HG2  ILE  92          2HG2      ILE  92  -4.526   6.391   6.391
  720   2HG2  ILE  92          1HG2      ILE  92  -5.478   5.260   5.260
  721   3HG2  ILE  92          3HG2      ILE  92  -5.534   5.188   5.188
  722   1HD1  ILE  92          2HD1      ILE  92  -7.133   5.242   5.242
  723   2HD1  ILE  92          1HD1      ILE  92  -7.876   6.447   6.447
  724   3HD1  ILE  92          3HD1      ILE  92  -8.658   5.996   5.996
  725    H    CYS  93           H        CYS  93  -6.142   9.575   9.575
  726    HA   CYS  93           HA       CYS  93  -3.217  10.163  10.163
  727   1HB   CYS  93          2HB       CYS  93  -4.510  12.212  12.212
  728   2HB   CYS  93          1HB       CYS  93  -5.432  11.795  11.795
  729    H    VAL  94           H        VAL  94  -2.175   8.733   8.733
  730    HA   VAL  94           HA       VAL  94  -3.123   8.358   8.358
  731    HB   VAL  94           HB       VAL  94  -2.449   6.008   6.008
  732   1HG1  VAL  94          2HG1      VAL  94  -4.729   6.714   6.714
  733   2HG1  VAL  94          1HG1      VAL  94  -4.108   6.801   6.801
  734   3HG1  VAL  94          3HG1      VAL  94  -4.158   5.255   5.255
  735   1HG2  VAL  94          2HG2      VAL  94  -0.568   6.326   6.326
  736   2HG2  VAL  94          1HG2      VAL  94  -1.669   5.058   5.058
  737   3HG2  VAL  94          3HG2      VAL  94  -1.732   6.654   6.654
  738    H    LYS  95           H        LYS  95  -1.036   7.023   7.023
  739    HA   LYS  95           HA       LYS  95   1.423   8.414   8.414
  740   1HB   LYS  95          2HB       LYS  95   0.026   8.749   8.749
  741   2HB   LYS  95          1HB       LYS  95   1.782   8.887   8.887
  742   1HG   LYS  95          2HG       LYS  95   1.657  10.950  10.950
  743   2HG   LYS  95          1HG       LYS  95   0.542  10.401  10.401
  744   1HD   LYS  95          2HD       LYS  95  -0.736  11.975  11.975
  745   2HD   LYS  95          1HD       LYS  95  -1.239  10.440  10.440
  746   1HE   LYS  95          2HE       LYS  95  -0.800  11.794  11.794
  747   2HE   LYS  95          1HE       LYS  95   0.670  10.837  10.837
  748   1HZ   LYS  95          3HZ       LYS  95   1.419  12.796  12.796
  749   2HZ   LYS  95          2HZ       LYS  95   0.211  13.668  13.668
  750   3HZ   LYS  95          1HZ       LYS  95   1.487  12.960  12.960
  751    H    CYS  96           H        CYS  96   3.383   7.558   7.558
  752    HA   CYS  96           HA       CYS  96   3.024   4.660   4.660
  753   1HB   CYS  96          2HB       CYS  96   5.541   5.918   5.918
  754   2HB   CYS  96          1HB       CYS  96   5.109   4.210   4.210
  755    H    GLU  97           H        GLU  97   3.700   3.950   3.950
  756    HA   GLU  97           HA       GLU  97   5.809   5.349   5.349
  757   1HB   GLU  97          2HB       GLU  97   3.680   6.112   6.112
  758   2HB   GLU  97          1HB       GLU  97   3.125   4.452   4.452
  759   1HG   GLU  97          2HG       GLU  97   5.089   3.978   3.978
  760   2HG   GLU  97          1HG       GLU  97   5.502   5.692   5.692
  761    H    ASN  98           H        ASN  98   7.185   3.756   3.756
  762    HA   ASN  98           HA       ASN  98   8.110   1.570   1.570
  763   1HB   ASN  98          2HB       ASN  98   5.219   1.306   1.306
  764   2HB   ASN  98          1HB       ASN  98   6.109  -0.188  -0.188
  765   1HD2  ASN  98          2HD2      ASN  98   6.509   1.437   1.437
  766   2HD2  ASN  98          1HD2      ASN  98   5.176   1.628   1.628
  767    H    GLN  99           H        GLN  99   6.967   2.632   2.632
  768    HA   GLN  99           HA       GLN  99   7.050   1.971   1.971
  769   1HB   GLN  99          2HB       GLN  99   7.795  -0.713  -0.713
  770   2HB   GLN  99          1HB       GLN  99   7.577  -0.471  -0.471
  771   1HG   GLN  99          2HG       GLN  99   9.200   1.655   1.655
  772   2HG   GLN  99          1HG       GLN  99   9.786   0.396   0.396
  773   1HE2  GLN  99          2HE2      GLN  99  10.982  -1.700  -1.700
  774   2HE2  GLN  99          1HE2      GLN  99  10.428  -1.716  -1.716
  775    H    TYR 100           H        TYR 100   4.785   0.570   0.570
  776    HA   TYR 100           HA       TYR 100   3.090  -0.293  -0.293
  777   1HB   TYR 100          2HB       TYR 100   2.243  -1.905  -1.905
  778   2HB   TYR 100          1HB       TYR 100   3.486  -1.489  -1.489
  779    HD1  TYR 100           HD2      TYR 100   0.028  -0.241  -0.241
  780    HD2  TYR 100           HD1      TYR 100   2.780  -1.119  -1.119
  781    HE1  TYR 100           HE2      TYR 100  -1.707   0.365   0.365
  782    HE2  TYR 100           HE1      TYR 100   1.043  -0.520  -0.520
  783    HH   TYR 100           HH       TYR 100  -0.996   0.796   0.796
  784    HA   PRO 101           HA       PRO 101   1.076   3.583   3.583
  785   1HB   PRO 101          2HB       PRO 101  -1.475   2.880   2.880
  786   2HB   PRO 101          1HB       PRO 101  -0.104   3.113   3.113
  787   1HG   PRO 101          2HG       PRO 101  -1.292   0.549   0.549
  788   2HG   PRO 101          1HG       PRO 101  -0.551   0.899   0.899
  789   1HD   PRO 101          2HD       PRO 101   0.753  -0.471  -0.471
  790   2HD   PRO 101          1HD       PRO 101   1.593   0.479   0.479
  791    H    VAL 102           H        VAL 102   0.944   4.222   4.222
  792    HA   VAL 102           HA       VAL 102  -1.211   2.955   2.955
  793    HB   VAL 102           HB       VAL 102   1.170   4.415   4.415
  794   1HG1  VAL 102          3HG1      VAL 102  -1.132   2.930   2.930
  795   2HG1  VAL 102          2HG1      VAL 102   0.395   2.323   2.323
  796   3HG1  VAL 102          1HG1      VAL 102  -0.028   4.021   4.021
  797   1HG2  VAL 102          3HG2      VAL 102   1.045   1.722   1.722
  798   2HG2  VAL 102          2HG2      VAL 102   2.436   2.766   2.766
  799   3HG2  VAL 102          1HG2      VAL 102   1.793   1.790   1.790
  800    H    HIS 103           H        HIS 103  -1.018   5.641   5.641
  801    HA   HIS 103           HA       HIS 103  -2.608   7.127   7.127
  802   1HB   HIS 103          2HB       HIS 103  -1.151   9.130   9.130
  803   2HB   HIS 103          1HB       HIS 103  -1.200   8.857   8.857
  804    HD1  HIS 103           HD1      HIS 103   1.246   9.394   9.394
  805    HD2  HIS 103           HD2      HIS 103   0.773   6.338   6.338
  806    HE1  HIS 103           HE1      HIS 103   3.559   8.483   8.483
  807    H    PHE 104           H        PHE 104  -4.401   8.066   8.066
  808    HA   PHE 104           HA       PHE 104  -4.524   8.068   8.068
  809   1HB   PHE 104          2HB       PHE 104  -6.389   6.938   6.938
  810   2HB   PHE 104          1HB       PHE 104  -7.172   7.981   7.981
  811    HD1  PHE 104           HD1      PHE 104  -4.084   6.055   6.055
  812    HD2  PHE 104           HD2      PHE 104  -8.351   6.224   6.224
  813    HE1  PHE 104           HE1      PHE 104  -3.955   4.277   4.277
  814    HE2  PHE 104           HE2      PHE 104  -8.237   4.417   4.417
  815    HZ   PHE 104           HZ       PHE 104  -6.059   3.442   3.442
  816    H    ALA 105           H        ALA 105  -4.951  10.026  10.026
  817    HA   ALA 105           HA       ALA 105  -5.813  12.234  12.234
  818   1HB   ALA 105          2HB       ALA 105  -3.980  12.244  12.244
  819   2HB   ALA 105          1HB       ALA 105  -4.623  13.724  13.724
  820   3HB   ALA 105          3HB       ALA 105  -3.592  12.659  12.659
  821    H    GLY 106           H        GLY 106  -6.525  10.704  10.704
  822   1HA   GLY 106          2HA       GLY 106  -9.119  11.927  11.927
  823   2HA   GLY 106          1HA       GLY 106  -8.021  12.790  12.790
  824    H    ILE 107           H        ILE 107  -9.836  11.863  11.863
  825    HA   ILE 107           HA       ILE 107  -9.332   9.061   9.061
  826    HB   ILE 107           HB       ILE 107 -11.659   9.777   9.777
  827   1HG1  ILE 107          2HG1      ILE 107 -11.453   9.486   9.486
  828   2HG1  ILE 107          1HG1      ILE 107 -10.923   8.165   8.165
  829   1HG2  ILE 107          2HG2      ILE 107 -10.862  11.937  11.937
  830   2HG2  ILE 107          1HG2      ILE 107 -12.524  11.355  11.355
  831   3HG2  ILE 107          3HG2      ILE 107 -11.877  12.022  12.022
  832   1HD1  ILE 107          1HD1      ILE 107 -13.190   8.399   8.399
  833   2HD1  ILE 107          3HD1      ILE 107 -13.670   9.410   9.410
  834   3HD1  ILE 107          2HD1      ILE 107 -13.220   7.725   7.725
  835    H    GLY 108           H        GLY 108  -7.375  11.218  11.218
  836   1HA   GLY 108          2HA       GLY 108  -6.091  10.759  10.759
  837   2HA   GLY 108          1HA       GLY 108  -7.560  11.341  11.341
  838    H    ARG 109           H        ARG 109  -8.286  13.595  13.595
  839    HA   ARG 109           HA       ARG 109  -6.190  15.485  15.485
  840   1HB   ARG 109          2HB       ARG 109  -7.856  17.200  17.200
  841   2HB   ARG 109          1HB       ARG 109  -8.521  16.069  16.069
  842   1HG   ARG 109          2HG       ARG 109  -9.614  14.799  14.799
  843   2HG   ARG 109          1HG       ARG 109  -8.861  15.809  15.809
  844   1HD   ARG 109          2HD       ARG 109 -10.027  17.766  17.766
  845   2HD   ARG 109          1HD       ARG 109 -11.095  16.469  16.469
  846    HE   ARG 109           HE       ARG 109 -10.626  16.956  16.956
  847   1HH1  ARG 109          2HH1      ARG 109 -12.386  14.735  14.735
  848   2HH1  ARG 109          1HH1      ARG 109 -13.964  15.445  15.445
  849   1HH2  ARG 109          1HH2      ARG 109 -12.773  18.666  18.666
  850   2HH2  ARG 109          2HH2      ARG 109 -14.182  17.672  17.672
  851    H    CYS 110           H        CYS 110  -4.826  16.551  16.551
  852    HA   CYS 110           HA       CYS 110  -5.298  16.449  16.449
  853   1HB   CYS 110          2HB       CYS 110  -3.363  14.829  14.829
  854   2HB   CYS 110          1HB       CYS 110  -2.570  15.872  15.872
  855    HA   PRO 111           HA       PRO 111  -3.360  20.392  20.392
  856   1HB   PRO 111          2HB       PRO 111  -5.517  22.051  22.051
  857   2HB   PRO 111          1HB       PRO 111  -5.206  21.157  21.157
  858   1HG   PRO 111          2HG       PRO 111  -7.242  20.633  20.633
  859   2HG   PRO 111          1HG       PRO 111  -7.279  20.215  20.215
  860   1HD   PRO 111          1HD       PRO 111  -6.682  18.446  18.446
  861   2HD   PRO 111          2HD       PRO 111  -6.420  18.138  18.138

  Start of MODEL   10
    1    HN   PCA   1           HN       PCA   1  -2.717   3.242   3.242
    2    HA   PCA   1           HA       PCA   1  -2.129   3.850   3.850
    3   1HB   PCA   1          1HB       PCA   1  -3.929   3.992   3.992
    4   2HB   PCA   1          2HB       PCA   1  -4.159   2.235   2.235
    5   1HG   PCA   1          1HG       PCA   1  -5.703   4.328   4.328
    6   2HG   PCA   1          2HG       PCA   1  -5.933   2.574   2.574
    7    H    ASN   2           H        ASN   2  -3.435   0.924   0.924
    8    HA   ASN   2           HA       ASN   2  -1.051  -0.595  -0.595
    9   1HB   ASN   2          2HB       ASN   2  -2.523  -0.998  -0.998
   10   2HB   ASN   2          1HB       ASN   2  -3.872  -1.359  -1.359
   11   1HD2  ASN   2          2HD2      ASN   2  -3.043  -4.783  -4.783
   12   2HD2  ASN   2          1HD2      ASN   2  -4.249  -3.590  -3.590
   13    H    TRP   3           H        TRP   3  -0.852  -2.594  -2.594
   14    HA   TRP   3           HA       TRP   3  -1.631  -2.263  -2.263
   15   1HB   TRP   3          2HB       TRP   3   0.271  -3.757  -3.757
   16   2HB   TRP   3          1HB       TRP   3  -0.787  -4.976  -4.976
   17    HD1  TRP   3           HD1      TRP   3   2.244  -3.332  -3.332
   18    HE1  TRP   3           HE1      TRP   3   2.829  -3.290  -3.290
   19    HE3  TRP   3           HE3      TRP   3  -2.360  -4.302  -4.302
   20    HZ2  TRP   3           HZ2      TRP   3   1.552  -3.636  -3.636
   21    HZ3  TRP   3           HZ3      TRP   3  -2.628  -4.456  -4.456
   22    HH2  TRP   3           HH2      TRP   3  -0.677  -4.125  -4.125
   23    H    ALA   4           H        ALA   4  -2.821  -4.481  -4.481
   24    HA   ALA   4           HA       ALA   4  -4.582  -6.020  -6.020
   25   1HB   ALA   4          3HB       ALA   4  -3.866  -6.790  -6.790
   26   2HB   ALA   4          2HB       ALA   4  -4.763  -5.471  -5.471
   27   3HB   ALA   4          1HB       ALA   4  -5.626  -6.746  -6.746
   28    H    THR   5           H        THR   5  -5.398  -3.413  -3.413
   29    HA   THR   5           HA       THR   5  -8.140  -3.159  -3.159
   30    HB   THR   5           HB       THR   5  -6.671  -0.731  -0.731
   31    HG1  THR   5           HG1      THR   5  -7.028  -3.117  -3.117
   32   1HG2  THR   5          2HG2      THR   5  -9.330  -1.551  -1.551
   33   2HG2  THR   5          1HG2      THR   5  -8.959  -1.712  -1.712
   34   3HG2  THR   5          3HG2      THR   5  -8.733  -0.162  -0.162
   35    H    PHE   6           H        PHE   6  -5.130  -1.844  -1.844
   36    HA   PHE   6           HA       PHE   6  -6.356   0.059   0.059
   37   1HB   PHE   6          2HB       PHE   6  -4.057   0.408   0.408
   38   2HB   PHE   6          1HB       PHE   6  -3.628  -1.164  -1.164
   39    HD1  PHE   6           HD2      PHE   6  -3.563  -1.541  -1.541
   40    HD2  PHE   6           HD1      PHE   6  -4.586   2.342   2.342
   41    HE1  PHE   6           HE2      PHE   6  -3.278  -0.563  -0.563
   42    HE2  PHE   6           HE1      PHE   6  -4.302   3.319   3.319
   43    HZ   PHE   6           HZ       PHE   6  -3.648   1.854   1.854
   44    H    GLN   7           H        GLN   7  -5.682  -3.350  -3.350
   45    HA   GLN   7           HA       GLN   7  -5.664  -3.859  -3.859
   46   1HB   GLN   7          2HB       GLN   7  -5.386  -5.572  -5.572
   47   2HB   GLN   7          1HB       GLN   7  -7.149  -5.626  -5.626
   48   1HG   GLN   7          2HG       GLN   7  -5.933  -5.879  -5.879
   49   2HG   GLN   7          1HG       GLN   7  -5.635  -7.227  -7.227
   50   1HE2  GLN   7          2HE2      GLN   7  -8.910  -8.481  -8.481
   51   2HE2  GLN   7          1HE2      GLN   7  -7.323  -8.718  -8.718
   52    H    GLN   8           H        GLN   8  -8.278  -3.226  -3.226
   53    HA   GLN   8           HA       GLN   8 -10.387  -3.523  -3.523
   54   1HB   GLN   8          2HB       GLN   8 -10.232  -2.961  -2.961
   55   2HB   GLN   8          1HB       GLN   8 -11.348  -1.858  -1.858
   56   1HG   GLN   8          2HG       GLN   8 -12.312  -3.962  -3.962
   57   2HG   GLN   8          1HG       GLN   8 -11.440  -4.871  -4.871
   58   1HE2  GLN   8          2HE2      GLN   8 -13.490  -3.592  -3.592
   59   2HE2  GLN   8          1HE2      GLN   8 -11.898  -4.066  -4.066
   60    H    LYS   9           H        LYS   9  -8.521  -0.918  -0.918
   61    HA   LYS   9           HA       LYS   9  -9.683   1.389   1.389
   62   1HB   LYS   9          2HB       LYS   9  -7.658   1.314   1.314
   63   2HB   LYS   9          1HB       LYS   9  -6.680   0.920   0.920
   64   1HG   LYS   9          2HG       LYS   9  -6.446   3.226   3.226
   65   2HG   LYS   9          1HG       LYS   9  -7.818   3.078   3.078
   66   1HD   LYS   9          2HD       LYS   9  -9.324   3.241   3.241
   67   2HD   LYS   9          1HD       LYS   9  -7.888   3.713   3.713
   68   1HE   LYS   9          2HE       LYS   9  -7.895   5.800   5.800
   69   2HE   LYS   9          1HE       LYS   9  -8.194   5.208   5.208
   70   1HZ   LYS   9          2HZ       LYS   9 -10.546   4.763   4.763
   71   2HZ   LYS   9          1HZ       LYS   9 -10.141   5.821   5.821
   72   3HZ   LYS   9          3HZ       LYS   9 -10.109   6.370   6.370
   73    H    HIS  10           H        HIS  10  -7.105  -0.246  -0.246
   74    HA   HIS  10           HA       HIS  10  -8.199   1.200   1.200
   75   1HB   HIS  10          2HB       HIS  10  -5.569  -0.202  -0.202
   76   2HB   HIS  10          1HB       HIS  10  -6.114   0.230   0.230
   77    HD1  HIS  10           HD1      HIS  10  -6.637   2.329   2.329
   78    HD2  HIS  10           HD2      HIS  10  -4.407   2.390   2.390
   79    HE1  HIS  10           HE1      HIS  10  -5.460   4.569   4.569
   80    H    ILE  11           H        ILE  11  -8.498  -1.896  -1.896
   81    HA   ILE  11           HA       ILE  11  -9.297  -2.945  -2.945
   82    HB   ILE  11           HB       ILE  11  -7.847  -4.609  -4.609
   83   1HG1  ILE  11          2HG1      ILE  11  -6.391  -2.781  -2.781
   84   2HG1  ILE  11          1HG1      ILE  11  -5.850  -4.368  -4.368
   85   1HG2  ILE  11          2HG2      ILE  11  -9.168  -5.134  -5.134
   86   2HG2  ILE  11          1HG2      ILE  11  -7.507  -5.723  -5.723
   87   3HG2  ILE  11          3HG2      ILE  11  -8.668  -6.258  -6.258
   88   1HD1  ILE  11          3HD1      ILE  11  -7.754  -3.328  -3.328
   89   2HD1  ILE  11          2HD1      ILE  11  -6.497  -2.124  -2.124
   90   3HD1  ILE  11          1HD1      ILE  11  -6.058  -3.742  -3.742
   91    H    ILE  12           H        ILE  12 -11.476  -2.384  -2.384
   92    HA   ILE  12           HA       ILE  12 -12.652  -4.279  -4.279
   93    HB   ILE  12           HB       ILE  12 -14.008  -2.051  -2.051
   94   1HG1  ILE  12          2HG1      ILE  12 -13.955  -1.081  -1.081
   95   2HG1  ILE  12          1HG1      ILE  12 -12.487  -2.053  -2.053
   96   1HG2  ILE  12          2HG2      ILE  12 -14.837  -3.911  -3.911
   97   2HG2  ILE  12          1HG2      ILE  12 -15.591  -2.323  -2.323
   98   3HG2  ILE  12          3HG2      ILE  12 -15.706  -3.470  -3.470
   99   1HD1  ILE  12          2HD1      ILE  12 -12.970  -0.198  -0.198
  100   2HD1  ILE  12          1HD1      ILE  12 -12.304   0.419   0.419
  101   3HD1  ILE  12          3HD1      ILE  12 -11.440  -0.827  -0.827
  102    H    ASN  13           H        ASN  13 -11.786  -5.834  -5.834
  103    HA   ASN  13           HA       ASN  13 -13.033  -5.991  -5.991
  104   1HB   ASN  13          2HB       ASN  13 -10.895  -7.215  -7.215
  105   2HB   ASN  13          1HB       ASN  13 -12.054  -8.479  -8.479
  106   1HD2  ASN  13          2HD2      ASN  13 -10.802  -8.351  -8.351
  107   2HD2  ASN  13          1HD2      ASN  13  -9.960  -7.727  -7.727
  108    H    THR  14           H        THR  14 -15.254  -5.693  -5.693
  109    HA   THR  14           HA       THR  14 -16.775  -8.169  -8.169
  110    HB   THR  14           HB       THR  14 -18.233  -7.028  -7.028
  111    HG1  THR  14           HG1      THR  14 -15.794  -5.668  -5.668
  112   1HG2  THR  14          2HG2      THR  14 -16.465  -8.956  -8.956
  113   2HG2  THR  14          1HG2      THR  14 -15.504  -7.732  -7.732
  114   3HG2  THR  14          3HG2      THR  14 -17.085  -8.189  -8.189
  115    HA   PRO  15           HA       PRO  15 -18.411  -4.763  -4.763
  116   1HB   PRO  15          2HB       PRO  15 -18.231  -6.127  -6.127
  117   2HB   PRO  15          1HB       PRO  15 -16.930  -5.127  -5.127
  118   1HG   PRO  15          2HG       PRO  15 -17.132  -8.091  -8.091
  119   2HG   PRO  15          1HG       PRO  15 -15.692  -7.066  -7.066
  120   1HD   PRO  15          2HD       PRO  15 -16.874  -8.518  -8.518
  121   2HD   PRO  15          1HD       PRO  15 -15.588  -7.295  -7.295
  122    H    ILE  16           H        ILE  16 -19.893  -6.983  -6.983
  123    HA   ILE  16           HA       ILE  16 -21.800  -8.210  -8.210
  124    HB   ILE  16           HB       ILE  16 -23.156  -8.462  -8.462
  125   1HG1  ILE  16          2HG1      ILE  16 -20.808  -7.262  -7.262
  126   2HG1  ILE  16          1HG1      ILE  16 -22.109  -6.218  -6.218
  127   1HG2  ILE  16          3HG2      ILE  16 -20.213  -9.181  -9.181
  128   2HG2  ILE  16          2HG2      ILE  16 -21.386  -9.820  -9.820
  129   3HG2  ILE  16          1HG2      ILE  16 -21.549 -10.184 -10.184
  130   1HD1  ILE  16          3HD1      ILE  16 -23.708  -7.862  -7.862
  131   2HD1  ILE  16          2HD1      ILE  16 -22.272  -8.505  -8.505
  132   3HD1  ILE  16          1HD1      ILE  16 -22.736  -6.822  -6.822
  133    H    ILE  17           H        ILE  17 -24.317  -7.487  -7.487
  134    HA   ILE  17           HA       ILE  17 -24.553  -4.703  -4.703
  135    HB   ILE  17           HB       ILE  17 -26.984  -5.340  -5.340
  136   1HG1  ILE  17          2HG1      ILE  17 -25.973  -8.132  -8.132
  137   2HG1  ILE  17          1HG1      ILE  17 -26.959  -7.171  -7.171
  138   1HG2  ILE  17          2HG2      ILE  17 -24.636  -6.229  -6.229
  139   2HG2  ILE  17          1HG2      ILE  17 -25.942  -7.397  -7.397
  140   3HG2  ILE  17          3HG2      ILE  17 -26.197  -5.707  -5.707
  141   1HD1  ILE  17          2HD1      ILE  17 -28.650  -6.967  -6.967
  142   2HD1  ILE  17          1HD1      ILE  17 -27.712  -8.193  -8.193
  143   3HD1  ILE  17          3HD1      ILE  17 -28.478  -8.582  -8.582
  144    H    ASN  18           H        ASN  18 -23.751  -5.228  -5.228
  145    HA   ASN  18           HA       ASN  18 -25.865  -3.669  -3.669
  146   1HB   ASN  18          2HB       ASN  18 -24.595  -6.133  -6.133
  147   2HB   ASN  18          1HB       ASN  18 -25.884  -5.134  -5.134
  148   1HD2  ASN  18          2HD2      ASN  18 -28.316  -6.393  -6.393
  149   2HD2  ASN  18          1HD2      ASN  18 -27.807  -4.905  -4.905
  150    H    CYS  19           H        CYS  19 -24.536  -1.866  -1.866
  151    HA   CYS  19           HA       CYS  19 -21.705  -2.071  -2.071
  152   1HB   CYS  19          2HB       CYS  19 -23.417   0.444   0.444
  153   2HB   CYS  19          1HB       CYS  19 -21.660   0.359   0.359
  154    H    ASN  20           H        ASN  20 -24.633  -1.848  -1.848
  155    HA   ASN  20           HA       ASN  20 -23.301  -0.628  -0.628
  156   1HB   ASN  20          2HB       ASN  20 -25.460  -1.291  -1.291
  157   2HB   ASN  20          1HB       ASN  20 -25.641  -0.169  -0.169
  158   1HD2  ASN  20          2HD2      ASN  20 -27.547  -2.416  -2.416
  159   2HD2  ASN  20          1HD2      ASN  20 -26.774  -0.906  -0.906
  160    H    THR  21           H        THR  21 -24.528  -3.864  -3.864
  161    HA   THR  21           HA       THR  21 -23.741  -5.202  -5.202
  162    HB   THR  21           HB       THR  21 -23.506  -7.203  -7.203
  163    HG1  THR  21           HG1      THR  21 -23.638  -6.125  -6.125
  164   1HG2  THR  21          1HG2      THR  21 -25.680  -5.977  -5.977
  165   2HG2  THR  21          3HG2      THR  21 -26.270  -6.713  -6.713
  166   3HG2  THR  21          2HG2      THR  21 -25.374  -7.683  -7.683
  167    H    ILE  22           H        ILE  22 -21.892  -4.313  -4.313
  168    HA   ILE  22           HA       ILE  22 -19.562  -5.902  -5.902
  169    HB   ILE  22           HB       ILE  22 -18.437  -4.770  -4.770
  170   1HG1  ILE  22          2HG1      ILE  22 -21.063  -3.300  -3.300
  171   2HG1  ILE  22          1HG1      ILE  22 -19.619  -2.562  -2.562
  172   1HG2  ILE  22          2HG2      ILE  22 -20.005  -6.747  -6.747
  173   2HG2  ILE  22          1HG2      ILE  22 -21.241  -5.589  -5.589
  174   3HG2  ILE  22          3HG2      ILE  22 -19.766  -5.755  -5.755
  175   1HD1  ILE  22          1HD1      ILE  22 -18.536  -3.628  -3.628
  176   2HD1  ILE  22          3HD1      ILE  22 -20.176  -3.341  -3.341
  177   3HD1  ILE  22          2HD1      ILE  22 -19.216  -2.002  -2.002
  178    H    MET  23           H        MET  23 -20.594  -2.525  -2.525
  179    HA   MET  23           HA       MET  23 -18.015  -1.883  -1.883
  180   1HB   MET  23          2HB       MET  23 -18.641   0.451   0.451
  181   2HB   MET  23          1HB       MET  23 -18.882  -0.333  -0.333
  182   1HG   MET  23          2HG       MET  23 -20.971   0.521   0.521
  183   2HG   MET  23          1HG       MET  23 -21.331  -0.672  -0.672
  184   1HE   MET  23          3HE       MET  23 -20.712   2.535   2.535
  185   2HE   MET  23          2HE       MET  23 -22.201   3.028   3.028
  186   3HE   MET  23          1HE       MET  23 -20.664   3.729   3.729
  187    H    ASP  24           H        ASP  24 -20.443  -3.475  -3.475
  188    HA   ASP  24           HA       ASP  24 -21.546  -1.890  -1.890
  189   1HB   ASP  24          2HB       ASP  24 -21.430  -4.813  -4.813
  190   2HB   ASP  24          1HB       ASP  24 -21.903  -4.361  -4.361
  191    H    ASN  25           H        ASN  25 -19.726  -0.883  -0.883
  192    HA   ASN  25           HA       ASN  25 -18.372  -2.420  -2.420
  193   1HB   ASN  25          2HB       ASN  25 -17.008  -2.959  -2.959
  194   2HB   ASN  25          1HB       ASN  25 -16.692  -1.249  -1.249
  195   1HD2  ASN  25          2HD2      ASN  25 -15.145  -2.923  -2.923
  196   2HD2  ASN  25          1HD2      ASN  25 -16.717  -3.340  -3.340
  197    H    ASN  26           H        ASN  26 -17.071  -0.986  -0.986
  198    HA   ASN  26           HA       ASN  26 -18.232   1.681   1.681
  199   1HB   ASN  26          2HB       ASN  26 -15.908   0.347   0.347
  200   2HB   ASN  26          1HB       ASN  26 -16.580   1.916   1.916
  201   1HD2  ASN  26          2HD2      ASN  26 -19.355   0.535   0.535
  202   2HD2  ASN  26          1HD2      ASN  26 -18.513   1.938   1.938
  203    H    ILE  27           H        ILE  27 -15.673   0.440   0.440
  204    HA   ILE  27           HA       ILE  27 -14.079   2.916   2.916
  205    HB   ILE  27           HB       ILE  27 -13.830   0.459   0.459
  206   1HG1  ILE  27          2HG1      ILE  27 -12.255   1.133   1.133
  207   2HG1  ILE  27          1HG1      ILE  27 -13.674   0.082   0.082
  208   1HG2  ILE  27          3HG2      ILE  27 -12.338   2.995   2.995
  209   2HG2  ILE  27          2HG2      ILE  27 -11.334   1.544   1.544
  210   3HG2  ILE  27          1HG2      ILE  27 -12.399   1.870   1.870
  211   1HD1  ILE  27          1HD1      ILE  27 -12.541  -1.311  -1.311
  212   2HD1  ILE  27          3HD1      ILE  27 -11.087  -0.355  -0.355
  213   3HD1  ILE  27          2HD1      ILE  27 -11.753  -1.349  -1.349
  214    H    TYR  28           H        TYR  28 -17.019   2.398   2.398
  215    HA   TYR  28           HA       TYR  28 -16.549   4.196   4.196
  216   1HB   TYR  28          2HB       TYR  28 -17.957   1.515   1.515
  217   2HB   TYR  28          1HB       TYR  28 -18.051   2.756   2.756
  218    HD1  TYR  28           HD2      TYR  28 -15.647   3.779   3.779
  219    HD2  TYR  28           HD1      TYR  28 -16.350  -0.146  -0.146
  220    HE1  TYR  28           HE2      TYR  28 -13.508   3.004   3.004
  221    HE2  TYR  28           HE1      TYR  28 -14.198  -0.916  -0.916
  222    HH   TYR  28           HH       TYR  28 -11.806   1.044   1.044
  223    H    ILE  29           H        ILE  29 -17.675   5.413   5.413
  224    HA   ILE  29           HA       ILE  29 -20.555   5.637   5.637
  225    HB   ILE  29           HB       ILE  29 -19.780   5.130   5.130
  226   1HG1  ILE  29          2HG1      ILE  29 -21.010   3.185   3.185
  227   2HG1  ILE  29          1HG1      ILE  29 -19.375   3.078   3.078
  228   1HG2  ILE  29          3HG2      ILE  29 -22.226   5.874   5.874
  229   2HG2  ILE  29          2HG2      ILE  29 -22.454   4.547   4.547
  230   3HG2  ILE  29          1HG2      ILE  29 -21.835   6.097   6.097
  231   1HD1  ILE  29          3HD1      ILE  29 -20.410   3.022   3.022
  232   2HD1  ILE  29          2HD1      ILE  29 -21.970   2.807   2.807
  233   3HD1  ILE  29          1HD1      ILE  29 -20.704   1.596   1.596
  234    H    VAL  30           H        VAL  30 -21.486   7.544   7.544
  235    HA   VAL  30           HA       VAL  30 -19.620   9.694   9.694
  236    HB   VAL  30           HB       VAL  30 -22.264   9.913   9.913
  237   1HG1  VAL  30          3HG1      VAL  30 -20.237  11.938  11.938
  238   2HG1  VAL  30          2HG1      VAL  30 -21.330  12.284  12.284
  239   3HG1  VAL  30          1HG1      VAL  30 -21.983  11.930  11.930
  240   1HG2  VAL  30          1HG2      VAL  30 -19.378   9.862   9.862
  241   2HG2  VAL  30          3HG2      VAL  30 -20.770   9.081   9.081
  242   3HG2  VAL  30          2HG2      VAL  30 -20.536  10.821  10.821
  243    H    GLY  31           H        GLY  31 -20.869  11.383  11.383
  244   1HA   GLY  31          2HA       GLY  31 -22.375   9.879   9.879
  245   2HA   GLY  31          1HA       GLY  31 -21.737  11.514  11.514
  246    H    GLY  32           H        GLY  32 -23.936   9.947   9.947
  247   1HA   GLY  32          2HA       GLY  32 -26.246  11.487  11.487
  248   2HA   GLY  32          1HA       GLY  32 -25.569  12.075  12.075
  249    H    GLN  33           H        GLN  33 -24.850   9.923   9.923
  250    HA   GLN  33           HA       GLN  33 -26.750   7.705   7.705
  251   1HB   GLN  33          2HB       GLN  33 -27.429  10.130  10.130
  252   2HB   GLN  33          1HB       GLN  33 -27.393   8.697   8.697
  253   1HG   GLN  33          2HG       GLN  33 -29.060   7.607   7.607
  254   2HG   GLN  33          1HG       GLN  33 -28.832   8.664   8.664
  255   1HE2  GLN  33          2HE2      GLN  33 -30.556  10.634  10.634
  256   2HE2  GLN  33          1HE2      GLN  33 -29.097   9.797   9.797
  257    H    CYS  34           H        CYS  34 -25.410   9.410   9.410
  258    HA   CYS  34           HA       CYS  34 -23.225   7.430   7.430
  259   1HB   CYS  34          2HB       CYS  34 -25.268   7.999   7.999
  260   2HB   CYS  34          1HB       CYS  34 -23.878   6.925   6.925
  261    H    LYS  35           H        LYS  35 -22.267   8.173   8.173
  262    HA   LYS  35           HA       LYS  35 -21.794  11.113  11.113
  263   1HB   LYS  35          2HB       LYS  35 -19.940   9.010   9.010
  264   2HB   LYS  35          1HB       LYS  35 -19.822   9.702   9.702
  265   1HG   LYS  35          2HG       LYS  35 -19.950  11.959  11.959
  266   2HG   LYS  35          1HG       LYS  35 -19.033  10.850  10.850
  267   1HD   LYS  35          2HD       LYS  35 -17.207  11.346  11.346
  268   2HD   LYS  35          1HD       LYS  35 -17.959  10.518  10.518
  269   1HE   LYS  35          2HE       LYS  35 -18.350  12.466  12.466
  270   2HE   LYS  35          1HE       LYS  35 -19.023  13.220  13.220
  271   1HZ   LYS  35          3HZ       LYS  35 -16.623  13.370  13.370
  272   2HZ   LYS  35          2HZ       LYS  35 -16.195  13.046  13.046
  273   3HZ   LYS  35          1HZ       LYS  35 -17.105  14.429  14.429
  274    H    ARG  36           H        ARG  36 -20.760  11.802  11.802
  275    HA   ARG  36           HA       ARG  36 -23.064  11.512  11.512
  276   1HB   ARG  36          2HB       ARG  36 -21.834  13.702  13.702
  277   2HB   ARG  36          1HB       ARG  36 -20.502  13.045  13.045
  278   1HG   ARG  36          2HG       ARG  36 -22.485  12.521  12.521
  279   2HG   ARG  36          1HG       ARG  36 -23.226  13.889  13.889
  280   1HD   ARG  36          2HD       ARG  36 -20.706  14.851  14.851
  281   2HD   ARG  36          1HD       ARG  36 -20.891  13.823  13.823
  282    HE   ARG  36           HE       ARG  36 -22.705  15.227  15.227
  283   1HH1  ARG  36          2HH1      ARG  36 -24.060  15.912  15.912
  284   2HH1  ARG  36          1HH1      ARG  36 -23.604  17.562  17.562
  285   1HH2  ARG  36          1HH2      ARG  36 -20.941  17.463  17.463
  286   2HH2  ARG  36          2HH2      ARG  36 -21.841  18.442  18.442
  287    H    VAL  37           H        VAL  37 -19.797  10.243  10.243
  288    HA   VAL  37           HA       VAL  37 -20.320   8.505   8.505
  289    HB   VAL  37           HB       VAL  37 -17.751  10.098  10.098
  290   1HG1  VAL  37          2HG1      VAL  37 -18.121   7.819   7.819
  291   2HG1  VAL  37          1HG1      VAL  37 -18.959   8.838   8.838
  292   3HG1  VAL  37          3HG1      VAL  37 -17.263   9.139   9.139
  293   1HG2  VAL  37          3HG2      VAL  37 -20.298  10.686  10.686
  294   2HG2  VAL  37          2HG2      VAL  37 -19.488  11.737  11.737
  295   3HG2  VAL  37          1HG2      VAL  37 -18.737  11.395  11.395
  296    H    ASN  38           H        ASN  38 -20.051   6.573   6.573
  297    HA   ASN  38           HA       ASN  38 -17.768   6.164   6.164
  298   1HB   ASN  38          2HB       ASN  38 -19.873   4.112   4.112
  299   2HB   ASN  38          1HB       ASN  38 -18.756   4.019   4.019
  300   1HD2  ASN  38          2HD2      ASN  38 -20.768   7.003   7.003
  301   2HD2  ASN  38          1HD2      ASN  38 -19.250   6.994   6.994
  302    H    THR  39           H        THR  39 -16.153   6.408   6.408
  303    HA   THR  39           HA       THR  39 -16.152   4.782   4.782
  304    HB   THR  39           HB       THR  39 -13.835   6.356   6.356
  305    HG1  THR  39           HG1      THR  39 -14.989   8.053   8.053
  306   1HG2  THR  39          3HG2      THR  39 -13.367   4.883   4.883
  307   2HG2  THR  39          2HG2      THR  39 -14.666   5.662   5.662
  308   3HG2  THR  39          1HG2      THR  39 -13.237   6.586   6.586
  309    H    PHE  40           H        PHE  40 -15.704   2.692   2.692
  310    HA   PHE  40           HA       PHE  40 -13.704   1.608   1.608
  311   1HB   PHE  40          2HB       PHE  40 -15.694   0.194   0.194
  312   2HB   PHE  40          1HB       PHE  40 -14.684  -0.579  -0.579
  313    HD1  PHE  40           HD2      PHE  40 -14.815   0.995   0.995
  314    HD2  PHE  40           HD1      PHE  40 -17.917   0.286   0.286
  315    HE1  PHE  40           HE2      PHE  40 -16.536   1.465   1.465
  316    HE2  PHE  40           HE1      PHE  40 -19.633   0.762   0.762
  317    HZ   PHE  40           HZ       PHE  40 -18.942   1.351   1.351
  318    H    ILE  41           H        ILE  41 -12.014   0.115   0.115
  319    HA   ILE  41           HA       ILE  41 -11.529   0.712   0.712
  320    HB   ILE  41           HB       ILE  41  -9.495   0.625   0.625
  321   1HG1  ILE  41          2HG1      ILE  41  -9.218   3.052   3.052
  322   2HG1  ILE  41          1HG1      ILE  41 -10.897   2.786   2.786
  323   1HG2  ILE  41          1HG2      ILE  41  -9.164   1.102   1.102
  324   2HG2  ILE  41          3HG2      ILE  41  -7.895   1.326   1.326
  325   3HG2  ILE  41          2HG2      ILE  41  -8.551  -0.283  -0.283
  326   1HD1  ILE  41          2HD1      ILE  41 -10.841   1.931   1.931
  327   2HD1  ILE  41          1HD1      ILE  41  -9.763   3.328   3.328
  328   3HD1  ILE  41          3HD1      ILE  41 -11.425   3.500   3.500
  329    H    ILE  42           H        ILE  42 -11.245  -1.063  -1.063
  330    HA   ILE  42           HA       ILE  42 -10.769  -3.680  -3.680
  331    HB   ILE  42           HB       ILE  42 -12.945  -3.560  -3.560
  332   1HG1  ILE  42          2HG1      ILE  42 -11.365  -5.244  -5.244
  333   2HG1  ILE  42          1HG1      ILE  42 -11.231  -5.614  -5.614
  334   1HG2  ILE  42          2HG2      ILE  42 -11.328  -2.951  -2.951
  335   2HG2  ILE  42          1HG2      ILE  42 -13.056  -3.274  -3.274
  336   3HG2  ILE  42          3HG2      ILE  42 -12.415  -1.839  -1.839
  337   1HD1  ILE  42          3HD1      ILE  42 -13.957  -5.254  -5.254
  338   2HD1  ILE  42          2HD1      ILE  42 -13.481  -6.045  -6.045
  339   3HD1  ILE  42          1HD1      ILE  42 -13.133  -6.813  -6.813
  340    H    SER  43           H        SER  43  -8.958  -4.734  -4.734
  341    HA   SER  43           HA       SER  43  -7.577  -5.128  -5.128
  342   1HB   SER  43          2HB       SER  43  -7.170  -2.762  -2.762
  343   2HB   SER  43          1HB       SER  43  -6.680  -2.565  -2.565
  344    HG   SER  43           HG       SER  43  -5.326  -3.761  -3.761
  345    H    SER  44           H        SER  44  -5.413  -6.115  -6.115
  346    HA   SER  44           HA       SER  44  -5.289  -7.590  -7.590
  347   1HB   SER  44          2HB       SER  44  -2.856  -8.034  -8.034
  348   2HB   SER  44          1HB       SER  44  -4.150  -8.565  -8.565
  349    HG   SER  44           HG       SER  44  -3.319  -7.304  -7.304
  350    H    ALA  45           H        ALA  45  -4.708  -6.925  -6.925
  351    HA   ALA  45           HA       ALA  45  -4.027  -4.333  -4.333
  352   1HB   ALA  45          3HB       ALA  45  -4.767  -6.281  -6.281
  353   2HB   ALA  45          2HB       ALA  45  -3.072  -6.772  -6.772
  354   3HB   ALA  45          1HB       ALA  45  -3.550  -5.207  -5.207
  355    H    THR  46           H        THR  46  -1.822  -6.862  -6.862
  356    HA   THR  46           HA       THR  46   0.557  -5.462  -5.462
  357    HB   THR  46           HB       THR  46   0.587  -7.864  -7.864
  358    HG1  THR  46           HG1      THR  46   2.512  -6.639  -6.639
  359   1HG2  THR  46          2HG2      THR  46  -0.350  -7.348  -7.348
  360   2HG2  THR  46          1HG2      THR  46   0.812  -8.659  -8.659
  361   3HG2  THR  46          3HG2      THR  46  -0.706  -8.701  -8.701
  362    H    THR  47           H        THR  47  -1.191  -5.560  -5.560
  363    HA   THR  47           HA       THR  47   0.895  -4.357  -4.357
  364    HB   THR  47           HB       THR  47  -1.137  -3.521  -3.521
  365    HG1  THR  47           HG1      THR  47  -3.067  -4.422  -4.422
  366   1HG2  THR  47          3HG2      THR  47   0.280  -5.544  -5.544
  367   2HG2  THR  47          2HG2      THR  47  -0.873  -6.502  -6.502
  368   3HG2  THR  47          1HG2      THR  47  -1.389  -5.694  -5.694
  369    H    VAL  48           H        VAL  48  -1.648  -3.143  -3.143
  370    HA   VAL  48           HA       VAL  48  -1.259  -0.334  -0.334
  371    HB   VAL  48           HB       VAL  48  -2.319  -1.586  -1.586
  372   1HG1  VAL  48          1HG1      VAL  48  -2.522   1.139   1.139
  373   2HG1  VAL  48          3HG1      VAL  48  -3.671   0.600   0.600
  374   3HG1  VAL  48          2HG1      VAL  48  -1.957   0.740   0.740
  375   1HG2  VAL  48          1HG2      VAL  48  -3.476  -1.330  -1.330
  376   2HG2  VAL  48          3HG2      VAL  48  -3.851  -2.488  -2.488
  377   3HG2  VAL  48          2HG2      VAL  48  -4.530  -0.864  -0.864
  378    H    LYS  49           H        LYS  49   0.155  -2.695  -2.695
  379    HA   LYS  49           HA       LYS  49   1.651  -0.892  -0.892
  380   1HB   LYS  49          2HB       LYS  49   1.161  -3.297  -3.297
  381   2HB   LYS  49          1HB       LYS  49   2.322  -3.768  -3.768
  382   1HG   LYS  49          2HG       LYS  49   3.935  -2.149  -2.149
  383   2HG   LYS  49          1HG       LYS  49   2.812  -2.430  -2.430
  384   1HD   LYS  49          2HD       LYS  49   3.293  -4.714  -4.714
  385   2HD   LYS  49          1HD       LYS  49   3.871  -4.763  -4.763
  386   1HE   LYS  49          2HE       LYS  49   5.321  -3.124  -3.124
  387   2HE   LYS  49          1HE       LYS  49   5.631  -4.854  -4.854
  388   1HZ   LYS  49          1HZ       LYS  49   6.089  -4.487  -4.487
  389   2HZ   LYS  49          3HZ       LYS  49   5.902  -2.816  -2.816
  390   3HZ   LYS  49          2HZ       LYS  49   7.166  -3.643  -3.643
  391    H    ALA  50           H        ALA  50   2.121  -2.066  -2.066
  392    HA   ALA  50           HA       ALA  50   4.996  -1.541  -1.541
  393   1HB   ALA  50          3HB       ALA  50   3.012  -2.731  -2.731
  394   2HB   ALA  50          2HB       ALA  50   4.133  -1.669  -1.669
  395   3HB   ALA  50          1HB       ALA  50   4.748  -3.013  -3.013
  396    H    ILE  51           H        ILE  51   2.032   0.130   0.130
  397    HA   ILE  51           HA       ILE  51   3.427   2.298   2.298
  398    HB   ILE  51           HB       ILE  51   1.222   3.497   3.497
  399   1HG1  ILE  51          2HG1      ILE  51   0.228   0.891   0.891
  400   2HG1  ILE  51          1HG1      ILE  51   0.682   2.255   2.255
  401   1HG2  ILE  51          1HG2      ILE  51   1.945   1.655   1.655
  402   2HG2  ILE  51          3HG2      ILE  51   0.664   0.728   0.728
  403   3HG2  ILE  51          2HG2      ILE  51   0.296   2.277   2.277
  404   1HD1  ILE  51          2HD1      ILE  51  -1.077   3.018   3.018
  405   2HD1  ILE  51          1HD1      ILE  51  -1.817   1.864   1.864
  406   3HD1  ILE  51          3HD1      ILE  51  -1.204   3.400   3.400
  407    H    CYS  52           H        CYS  52   2.791   1.595   1.595
  408    HA   CYS  52           HA       CYS  52   3.338   4.395   4.395
  409   1HB   CYS  52          2HB       CYS  52   1.615   2.500   2.500
  410   2HB   CYS  52          1HB       CYS  52   2.978   2.476   2.476
  411    H    THR  53           H        THR  53   5.363   2.380   2.380
  412    HA   THR  53           HA       THR  53   7.201   2.004   2.004
  413    HB   THR  53           HB       THR  53   7.778   1.441   1.441
  414    HG1  THR  53           HG1      THR  53   6.762  -0.437  -0.437
  415   1HG2  THR  53          2HG2      THR  53   8.835   0.309   0.309
  416   2HG2  THR  53          1HG2      THR  53   9.297  -0.252  -0.252
  417   3HG2  THR  53          3HG2      THR  53   9.703   1.387   1.387
  418    H    GLY  54           H        GLY  54   8.394   3.734   3.734
  419   1HA   GLY  54          2HA       GLY  54   9.987   5.205   5.205
  420   2HA   GLY  54          1HA       GLY  54   8.728   6.186   6.186
  421    H    VAL  55           H        VAL  55   8.702   5.738   5.738
  422    HA   VAL  55           HA       VAL  55  11.299   5.271   5.271
  423    HB   VAL  55           HB       VAL  55  11.377   7.591   7.591
  424   1HG1  VAL  55          2HG1      VAL  55   9.022   8.114   8.114
  425   2HG1  VAL  55          1HG1      VAL  55  10.027   8.671   8.671
  426   3HG1  VAL  55          3HG1      VAL  55  10.213   9.387   9.387
  427   1HG2  VAL  55          1HG2      VAL  55  12.604   6.582   6.582
  428   2HG2  VAL  55          3HG2      VAL  55  13.072   8.057   8.057
  429   3HG2  VAL  55          2HG2      VAL  55  12.002   8.145   8.145
  430    H    ILE  56           H        ILE  56  10.884   6.549   6.549
  431    HA   ILE  56           HA       ILE  56   8.587   5.024   5.024
  432    HB   ILE  56           HB       ILE  56  10.818   4.982   4.982
  433   1HG1  ILE  56          2HG1      ILE  56   8.917   6.311   6.311
  434   2HG1  ILE  56          1HG1      ILE  56   8.505   4.751   4.751
  435   1HG2  ILE  56          1HG2      ILE  56  10.898   7.660   7.660
  436   2HG2  ILE  56          3HG2      ILE  56  10.406   7.640   7.640
  437   3HG2  ILE  56          2HG2      ILE  56  11.899   6.843   6.843
  438   1HD1  ILE  56          2HD1      ILE  56  11.056   5.369   5.369
  439   2HD1  ILE  56          1HD1      ILE  56   9.681   4.466   4.466
  440   3HD1  ILE  56          3HD1      ILE  56  10.627   3.806   3.806
  441    H    ASN  57           H        ASN  57   8.157   7.520   7.520
  442    HA   ASN  57           HA       ASN  57   5.874   8.659   8.659
  443   1HB   ASN  57          2HB       ASN  57   7.823   9.521   9.521
  444   2HB   ASN  57          1HB       ASN  57   8.129  10.634  10.634
  445   1HD2  ASN  57          2HD2      ASN  57   4.816  11.121  11.121
  446   2HD2  ASN  57          1HD2      ASN  57   5.800   9.750   9.750
  447    H    MET  58           H        MET  58   4.959   9.149   9.149
  448    HA   MET  58           HA       MET  58   6.318  11.037  11.037
  449   1HB   MET  58          2HB       MET  58   7.074   8.478   8.478
  450   2HB   MET  58          1HB       MET  58   5.617   8.458   8.458
  451   1HG   MET  58          2HG       MET  58   7.058  10.859  10.859
  452   2HG   MET  58          1HG       MET  58   8.185   9.505   9.505
  453   1HE   MET  58          2HE       MET  58   8.745   9.557   9.557
  454   2HE   MET  58          1HE       MET  58   7.726   9.401   9.401
  455   3HE   MET  58          3HE       MET  58   7.775  10.927  10.927
  456    H    ASN  59           H        ASN  59   5.041  11.074  11.074
  457    HA   ASN  59           HA       ASN  59   2.110  10.659  10.659
  458   1HB   ASN  59          2HB       ASN  59   3.568  13.237  13.237
  459   2HB   ASN  59          1HB       ASN  59   2.054  12.992  12.992
  460   1HD2  ASN  59          2HD2      ASN  59   1.909  13.993  13.993
  461   2HD2  ASN  59          1HD2      ASN  59   3.325  14.087  14.087
  462    H    VAL  60           H        VAL  60   1.589   9.329   9.329
  463    HA   VAL  60           HA       VAL  60   2.865   9.835   9.835
  464    HB   VAL  60           HB       VAL  60   3.843   7.836   7.836
  465   1HG1  VAL  60          3HG1      VAL  60   1.373   7.421   7.421
  466   2HG1  VAL  60          2HG1      VAL  60   1.348   6.261   6.261
  467   3HG1  VAL  60          1HG1      VAL  60   2.614   6.177   6.177
  468   1HG2  VAL  60          3HG2      VAL  60   3.273   8.018   8.018
  469   2HG2  VAL  60          2HG2      VAL  60   3.731   6.445   6.445
  470   3HG2  VAL  60          1HG2      VAL  60   2.032   6.820   6.820
  471    H    LEU  61           H        LEU  61   1.499   8.867   8.867
  472    HA   LEU  61           HA       LEU  61  -1.405   8.919   8.919
  473   1HB   LEU  61          2HB       LEU  61  -0.180  10.120  10.120
  474   2HB   LEU  61          1HB       LEU  61  -1.871  10.195  10.195
  475    HG   LEU  61           HG       LEU  61  -0.755  11.263  11.263
  476   1HD1  LEU  61          2HD1      LEU  61   1.123  11.867  11.867
  477   2HD1  LEU  61          1HD1      LEU  61   1.048  12.839  12.839
  478   3HD1  LEU  61          3HD1      LEU  61   1.538  11.148  11.148
  479   1HD2  LEU  61          1HD2      LEU  61  -1.660  12.439  12.439
  480   2HD2  LEU  61          3HD2      LEU  61  -2.422  12.532  12.532
  481   3HD2  LEU  61          2HD2      LEU  61  -1.008  13.522  13.522
  482    H    SER  62           H        SER  62  -2.313   6.992   6.992
  483    HA   SER  62           HA       SER  62  -1.184   4.978   4.978
  484   1HB   SER  62          2HB       SER  62  -4.161   5.285   5.285
  485   2HB   SER  62          1HB       SER  62  -3.195   3.817   3.817
  486    HG   SER  62           HG       SER  62  -3.855   4.320   4.320
  487    H    THR  63           H        THR  63  -0.537   5.942   5.942
  488    HA   THR  63           HA       THR  63  -2.315   7.620   7.620
  489    HB   THR  63           HB       THR  63  -0.390   7.218   7.218
  490    HG1  THR  63           HG1      THR  63   1.337   6.240   6.240
  491   1HG2  THR  63          1HG2      THR  63  -0.683   8.925   8.925
  492   2HG2  THR  63          3HG2      THR  63   1.019   8.627   8.627
  493   3HG2  THR  63          2HG2      THR  63  -0.031   9.311   9.311
  494    H    THR  64           H        THR  64  -0.907   4.366   4.366
  495    HA   THR  64           HA       THR  64  -2.105   3.824   3.824
  496    HB   THR  64           HB       THR  64  -1.760   1.809   1.809
  497    HG1  THR  64           HG1      THR  64   0.201   2.591   2.591
  498   1HG2  THR  64          3HG2      THR  64  -2.940   1.472   1.472
  499   2HG2  THR  64          2HG2      THR  64  -1.263   1.020   1.020
  500   3HG2  THR  64          1HG2      THR  64  -2.186   0.191   0.191
  501    H    ARG  65           H        ARG  65  -3.591   1.935   1.935
  502    HA   ARG  65           HA       ARG  65  -6.086   3.194   3.194
  503   1HB   ARG  65          2HB       ARG  65  -7.488   1.783   1.783
  504   2HB   ARG  65          1HB       ARG  65  -6.428   2.898   2.898
  505   1HG   ARG  65          2HG       ARG  65  -4.755   0.930   0.930
  506   2HG   ARG  65          1HG       ARG  65  -6.138  -0.083  -0.083
  507   1HD   ARG  65          2HD       ARG  65  -5.970   1.801   1.801
  508   2HD   ARG  65          1HD       ARG  65  -5.888   0.040   0.040
  509    HE   ARG  65           HE       ARG  65  -8.274   0.333   0.333
  510   1HH1  ARG  65          1HH2      ARG  65  -7.586   3.175   3.175
  511   2HH1  ARG  65          2HH2      ARG  65  -8.758   3.091   3.091
  512   1HH2  ARG  65          2HH1      ARG  65  -9.477  -0.260  -0.260
  513   2HH2  ARG  65          1HH1      ARG  65  -9.823   1.146   1.146
  514    H    PHE  66           H        PHE  66  -6.134   2.358   2.358
  515    HA   PHE  66           HA       PHE  66  -5.874  -0.610  -0.610
  516   1HB   PHE  66          2HB       PHE  66  -5.808   1.713   1.713
  517   2HB   PHE  66          1HB       PHE  66  -5.857   0.028   0.028
  518    HD1  PHE  66           HD2      PHE  66  -3.904   2.464   2.464
  519    HD2  PHE  66           HD1      PHE  66  -3.897  -1.340  -1.340
  520    HE1  PHE  66           HE2      PHE  66  -1.487   2.213   2.213
  521    HE2  PHE  66           HE1      PHE  66  -1.481  -1.577  -1.577
  522    HZ   PHE  66           HZ       PHE  66  -0.278   0.192   0.192
  523    H    GLN  67           H        GLN  67  -8.084  -0.175  -0.175
  524    HA   GLN  67           HA       GLN  67 -10.492   0.237   0.237
  525   1HB   GLN  67          2HB       GLN  67 -11.364  -2.075  -2.075
  526   2HB   GLN  67          1HB       GLN  67 -10.171  -1.998  -1.998
  527   1HG   GLN  67          2HG       GLN  67  -8.779  -2.197  -2.197
  528   2HG   GLN  67          1HG       GLN  67 -10.012  -3.454  -3.454
  529   1HE2  GLN  67          2HE2      GLN  67  -6.712  -4.305  -4.305
  530   2HE2  GLN  67          1HE2      GLN  67  -6.895  -3.392  -3.392
  531    H    LEU  68           H        LEU  68 -11.632   1.574   1.574
  532    HA   LEU  68           HA       LEU  68 -11.724   0.939   0.939
  533   1HB   LEU  68          2HB       LEU  68 -12.977   3.212   3.212
  534   2HB   LEU  68          1HB       LEU  68 -11.244   3.208   3.208
  535    HG   LEU  68           HG       LEU  68 -11.530   3.636   3.636
  536   1HD1  LEU  68          1HD1      LEU  68 -14.428   3.042   3.042
  537   2HD1  LEU  68          3HD1      LEU  68 -13.976   4.039   4.039
  538   3HD1  LEU  68          2HD1      LEU  68 -13.405   2.377   2.377
  539   1HD2  LEU  68          1HD2      LEU  68 -11.865   5.516   5.516
  540   2HD2  LEU  68          3HD2      LEU  68 -12.490   5.826   5.826
  541   3HD2  LEU  68          2HD2      LEU  68 -13.589   5.358   5.358
  542    H    ASN  69           H        ASN  69 -13.680   0.912   0.912
  543    HA   ASN  69           HA       ASN  69 -16.145   0.254   0.254
  544   1HB   ASN  69          2HB       ASN  69 -14.950  -1.606  -1.606
  545   2HB   ASN  69          1HB       ASN  69 -15.720  -0.751  -0.751
  546   1HD2  ASN  69          2HD2      ASN  69 -17.951  -3.168  -3.168
  547   2HD2  ASN  69          1HD2      ASN  69 -16.263  -3.072  -3.072
  548    H    THR  70           H        THR  70 -17.149   2.304   2.304
  549    HA   THR  70           HA       THR  70 -17.148   3.661   3.661
  550    HB   THR  70           HB       THR  70 -18.133   4.783   4.783
  551    HG1  THR  70           HG1      THR  70 -15.971   4.166   4.166
  552   1HG2  THR  70          2HG2      THR  70 -18.012   5.726   5.726
  553   2HG2  THR  70          1HG2      THR  70 -16.964   6.713   6.713
  554   3HG2  THR  70          3HG2      THR  70 -18.670   6.533   6.533
  555    H    CYS  71           H        CYS  71 -18.832   3.707   3.707
  556    HA   CYS  71           HA       CYS  71 -21.558   3.116   3.116
  557   1HB   CYS  71          2HB       CYS  71 -20.437   2.680   2.680
  558   2HB   CYS  71          1HB       CYS  71 -22.144   2.533   2.533
  559    H    THR  72           H        THR  72 -22.536   5.087   5.087
  560    HA   THR  72           HA       THR  72 -21.765   7.276   7.276
  561    HB   THR  72           HB       THR  72 -23.133   7.658   7.658
  562    HG1  THR  72           HG1      THR  72 -21.366   6.925   6.925
  563   1HG2  THR  72          3HG2      THR  72 -21.564   9.357   9.357
  564   2HG2  THR  72          2HG2      THR  72 -21.670   9.798   9.798
  565   3HG2  THR  72          1HG2      THR  72 -23.136   9.679   9.679
  566    H    ARG  73           H        ARG  73 -23.344   8.536   8.536
  567    HA   ARG  73           HA       ARG  73 -25.881   7.358   7.358
  568   1HB   ARG  73          2HB       ARG  73 -24.459   9.199   9.199
  569   2HB   ARG  73          1HB       ARG  73 -25.361  10.319  10.319
  570   1HG   ARG  73          2HG       ARG  73 -27.470   9.521   9.521
  571   2HG   ARG  73          1HG       ARG  73 -26.666   8.221   8.221
  572   1HD   ARG  73          2HD       ARG  73 -25.815   9.647   9.647
  573   2HD   ARG  73          1HD       ARG  73 -25.803  11.038  11.038
  574    HE   ARG  73           HE       ARG  73 -27.952  11.541  11.541
  575   1HH1  ARG  73          2HH1      ARG  73 -29.927   9.953   9.953
  576   2HH1  ARG  73          1HH1      ARG  73 -30.265   8.808   8.808
  577   1HH2  ARG  73          1HH2      ARG  73 -27.238   9.281   9.281
  578   2HH2  ARG  73          2HH2      ARG  73 -28.745   8.427   8.427
  579    H    THR  74           H        THR  74 -27.951   7.784   7.784
  580    HA   THR  74           HA       THR  74 -27.955   9.334   9.334
  581    HB   THR  74           HB       THR  74 -30.200   7.884   7.884
  582    HG1  THR  74           HG1      THR  74 -30.178   6.106   6.106
  583   1HG2  THR  74          1HG2      THR  74 -27.391   6.863   6.863
  584   2HG2  THR  74          3HG2      THR  74 -28.850   6.252   6.252
  585   3HG2  THR  74          2HG2      THR  74 -28.318   7.907   7.907
  586    H    SER  75           H        SER  75 -30.807   8.301   8.301
  587    HA   SER  75           HA       SER  75 -31.342  11.053  11.053
  588   1HB   SER  75          2HB       SER  75 -32.119  10.779  10.779
  589   2HB   SER  75          1HB       SER  75 -33.417   9.806   9.806
  590    HG   SER  75           HG       SER  75 -34.324  11.585  11.585
  591    H    ILE  76           H        ILE  76 -33.717  11.021  11.021
  592    HA   ILE  76           HA       ILE  76 -35.138  10.135  10.135
  593    HB   ILE  76           HB       ILE  76 -34.383   7.389   7.389
  594   1HG1  ILE  76          2HG1      ILE  76 -36.490   9.255   9.255
  595   2HG1  ILE  76          1HG1      ILE  76 -34.947   8.901   8.901
  596   1HG2  ILE  76          3HG2      ILE  76 -36.498   8.582   8.582
  597   2HG2  ILE  76          2HG2      ILE  76 -37.071   7.417   7.417
  598   3HG2  ILE  76          1HG2      ILE  76 -35.858   6.939   6.939
  599   1HD1  ILE  76          1HD1      ILE  76 -36.654   6.588   6.588
  600   2HD1  ILE  76          3HD1      ILE  76 -37.141   7.509   7.509
  601   3HD1  ILE  76          2HD1      ILE  76 -35.556   6.738   6.738
  602    H    THR  77           H        THR  77 -35.040   8.687   8.687
  603    HA   THR  77           HA       THR  77 -32.223   8.057   8.057
  604    HB   THR  77           HB       THR  77 -32.678  10.254  10.254
  605    HG1  THR  77           HG1      THR  77 -31.577   9.095   9.095
  606   1HG2  THR  77          2HG2      THR  77 -35.335   9.149   9.149
  607   2HG2  THR  77          1HG2      THR  77 -34.751   9.822   9.822
  608   3HG2  THR  77          3HG2      THR  77 -34.814  10.832  10.832
  609    HA   PRO  78           HA       PRO  78 -35.215   4.748   4.748
  610   1HB   PRO  78          2HB       PRO  78 -34.636   2.795   2.795
  611   2HB   PRO  78          1HB       PRO  78 -35.911   4.000   4.000
  612   1HG   PRO  78          2HG       PRO  78 -33.255   3.792   3.792
  613   2HG   PRO  78          1HG       PRO  78 -34.723   4.607   4.607
  614   1HD   PRO  78          2HD       PRO  78 -32.434   5.827   5.827
  615   2HD   PRO  78          1HD       PRO  78 -33.960   6.605   6.605
  616    H    ARG  79           H        ARG  79 -34.478   2.395   2.395
  617    HA   ARG  79           HA       ARG  79 -31.549   2.384   2.384
  618   1HB   ARG  79          2HB       ARG  79 -33.850   1.493   1.493
  619   2HB   ARG  79          1HB       ARG  79 -32.186   0.994   0.994
  620   1HG   ARG  79          2HG       ARG  79 -31.505   3.379   3.379
  621   2HG   ARG  79          1HG       ARG  79 -33.182   3.856   3.856
  622   1HD   ARG  79          2HD       ARG  79 -33.793   2.586   2.586
  623   2HD   ARG  79          1HD       ARG  79 -32.072   2.315   2.315
  624    HE   ARG  79           HE       ARG  79 -32.918   5.127   5.127
  625   1HH1  ARG  79          1HH2      ARG  79 -30.402   3.918   3.918
  626   2HH1  ARG  79          2HH2      ARG  79 -30.740   4.289   4.289
  627   1HH2  ARG  79          2HH1      ARG  79 -34.082   5.014   5.014
  628   2HH2  ARG  79          1HH1      ARG  79 -32.825   4.907   4.907
  629    HA   PRO  80           HA       PRO  80 -29.803   0.991   0.991
  630   1HB   PRO  80          2HB       PRO  80 -28.196   0.139   0.139
  631   2HB   PRO  80          1HB       PRO  80 -28.544  -0.813  -0.813
  632   1HG   PRO  80          2HG       PRO  80 -29.641  -1.123  -1.123
  633   2HG   PRO  80          1HG       PRO  80 -29.371  -2.353  -2.353
  634   1HD   PRO  80          2HD       PRO  80 -31.859  -1.247  -1.247
  635   2HD   PRO  80          1HD       PRO  80 -31.474  -2.077  -2.077
  636    H    CYS  81           H        CYS  81 -28.072   2.340   2.340
  637    HA   CYS  81           HA       CYS  81 -29.357   4.623   4.623
  638   1HB   CYS  81          2HB       CYS  81 -26.651   3.704   3.704
  639   2HB   CYS  81          1HB       CYS  81 -26.739   4.638   4.638
  640    HA   PRO  82           HA       PRO  82 -29.909   3.459   3.459
  641   1HB   PRO  82          2HB       PRO  82 -30.182   5.949   5.949
  642   2HB   PRO  82          1HB       PRO  82 -31.465   5.172   5.172
  643   1HG   PRO  82          2HG       PRO  82 -29.647   7.406   7.406
  644   2HG   PRO  82          1HG       PRO  82 -31.282   7.040   7.040
  645   1HD   PRO  82          2HD       PRO  82 -28.881   6.489   6.489
  646   2HD   PRO  82          1HD       PRO  82 -30.492   5.838   5.838
  647    H    TYR  83           H        TYR  83 -28.065   2.715   2.715
  648    HA   TYR  83           HA       TYR  83 -26.059   4.738   4.738
  649   1HB   TYR  83          2HB       TYR  83 -25.535   2.318   2.318
  650   2HB   TYR  83          1HB       TYR  83 -24.340   2.777   2.777
  651    HD1  TYR  83           HD2      TYR  83 -26.423   4.307   4.307
  652    HD2  TYR  83           HD1      TYR  83 -22.753   4.350   4.350
  653    HE1  TYR  83           HE2      TYR  83 -25.552   6.103   6.103
  654    HE2  TYR  83           HE1      TYR  83 -21.885   6.143   6.143
  655    HH   TYR  83           HH       TYR  83 -23.916   7.736   7.736
  656    H    SER  84           H        SER  84 -25.264   4.399   4.399
  657    HA   SER  84           HA       SER  84 -26.180   1.930   1.930
  658   1HB   SER  84          2HB       SER  84 -25.274   4.461   4.461
  659   2HB   SER  84          1HB       SER  84 -26.370   3.214   3.214
  660    HG   SER  84           HG       SER  84 -27.978   4.125   4.125
  661    H    SER  85           H        SER  85 -24.557   0.600   0.600
  662    HA   SER  85           HA       SER  85 -21.754   1.453   1.453
  663   1HB   SER  85          2HB       SER  85 -22.763  -0.818  -0.818
  664   2HB   SER  85          1HB       SER  85 -22.588  -1.291  -1.291
  665    HG   SER  85           HG       SER  85 -20.455  -1.200  -1.200
  666    H    ARG  86           H        ARG  86 -20.136   1.333   1.333
  667    HA   ARG  86           HA       ARG  86 -20.823   0.726   0.726
  668   1HB   ARG  86          2HB       ARG  86 -21.367   3.214   3.214
  669   2HB   ARG  86          1HB       ARG  86 -19.617   3.424   3.424
  670   1HG   ARG  86          2HG       ARG  86 -19.380   3.159   3.159
  671   2HG   ARG  86          1HG       ARG  86 -20.643   1.930   1.930
  672   1HD   ARG  86          2HD       ARG  86 -21.791   3.625   3.625
  673   2HD   ARG  86          1HD       ARG  86 -22.163   4.065   4.065
  674    HE   ARG  86           HE       ARG  86 -19.853   5.289   5.289
  675   1HH1  ARG  86          2HH1      ARG  86 -23.055   5.853   5.853
  676   2HH1  ARG  86          1HH1      ARG  86 -22.777   7.362   7.362
  677   1HH2  ARG  86          1HH2      ARG  86 -19.323   7.081   7.081
  678   2HH2  ARG  86          2HH2      ARG  86 -20.665   8.059   8.059
  679    H    THR  87           H        THR  87 -18.889   0.529   0.529
  680    HA   THR  87           HA       THR  87 -16.329   0.361   0.361
  681    HB   THR  87           HB       THR  87 -17.200  -1.502  -1.502
  682    HG1  THR  87           HG1      THR  87 -18.448  -1.840  -1.840
  683   1HG2  THR  87          3HG2      THR  87 -14.830  -1.395  -1.395
  684   2HG2  THR  87          2HG2      THR  87 -15.286  -2.866  -2.866
  685   3HG2  THR  87          1HG2      THR  87 -14.823  -1.425  -1.425
  686    H    GLU  88           H        GLU  88 -14.497   1.156   1.156
  687    HA   GLU  88           HA       GLU  88 -14.408   1.678   1.678
  688   1HB   GLU  88          2HB       GLU  88 -15.652   3.660   3.660
  689   2HB   GLU  88          1HB       GLU  88 -14.055   4.292   4.292
  690   1HG   GLU  88          2HG       GLU  88 -14.555   3.595   3.595
  691   2HG   GLU  88          1HG       GLU  88 -16.229   3.401   3.401
  692    H    THR  89           H        THR  89 -12.470   3.518   3.518
  693    HA   THR  89           HA       THR  89 -10.069   2.178   2.178
  694    HB   THR  89           HB       THR  89 -10.501   5.004   5.004
  695    HG1  THR  89           HG1      THR  89 -11.138   3.214   3.214
  696   1HG2  THR  89          1HG2      THR  89  -8.137   3.749   3.749
  697   2HG2  THR  89          3HG2      THR  89  -7.955   3.943   3.943
  698   3HG2  THR  89          2HG2      THR  89  -8.303   5.343   5.343
  699    H    ASN  90           H        ASN  90  -8.592   2.734   2.734
  700    HA   ASN  90           HA       ASN  90  -9.721   4.626   4.626
  701   1HB   ASN  90          2HB       ASN  90  -9.412   2.172   2.172
  702   2HB   ASN  90          1HB       ASN  90  -7.686   2.515   2.515
  703   1HD2  ASN  90          2HD2      ASN  90  -8.108   3.426   3.426
  704   2HD2  ASN  90          1HD2      ASN  90  -7.472   2.275   2.275
  705    H    TYR  91           H        TYR  91  -8.826   6.459   6.459
  706    HA   TYR  91           HA       TYR  91  -5.854   6.731   6.731
  707   1HB   TYR  91          2HB       TYR  91  -7.478   7.687   7.687
  708   2HB   TYR  91          1HB       TYR  91  -7.721   8.980   8.980
  709    HD1  TYR  91           HD2      TYR  91  -5.708  10.214  10.214
  710    HD2  TYR  91           HD1      TYR  91  -5.472   7.547   7.547
  711    HE1  TYR  91           HE2      TYR  91  -3.539  11.225  11.225
  712    HE2  TYR  91           HE1      TYR  91  -3.302   8.562   8.562
  713    HH   TYR  91           HH       TYR  91  -2.164  10.872  10.872
  714    H    ILE  92           H        ILE  92  -5.517   6.778   6.778
  715    HA   ILE  92           HA       ILE  92  -6.985   8.922   8.922
  716    HB   ILE  92           HB       ILE  92  -7.764   6.518   6.518
  717   1HG1  ILE  92          2HG1      ILE  92  -6.773   7.606   7.606
  718   2HG1  ILE  92          1HG1      ILE  92  -7.895   8.570   8.570
  719   1HG2  ILE  92          3HG2      ILE  92  -5.204   5.807   5.807
  720   2HG2  ILE  92          2HG2      ILE  92  -5.454   6.134   6.134
  721   3HG2  ILE  92          1HG2      ILE  92  -6.453   4.936   4.936
  722   1HD1  ILE  92          1HD1      ILE  92  -9.435   6.609   6.609
  723   2HD1  ILE  92          3HD1      ILE  92  -8.338   5.725   5.725
  724   3HD1  ILE  92          2HD1      ILE  92  -9.165   7.165   7.165
  725    H    CYS  93           H        CYS  93  -5.841   9.288   9.288
  726    HA   CYS  93           HA       CYS  93  -2.887   9.410   9.410
  727   1HB   CYS  93          2HB       CYS  93  -3.993  11.638  11.638
  728   2HB   CYS  93          1HB       CYS  93  -4.619  11.343  11.343
  729    H    VAL  94           H        VAL  94  -1.880   8.039   8.039
  730    HA   VAL  94           HA       VAL  94  -3.130   7.383   7.383
  731    HB   VAL  94           HB       VAL  94  -2.823   5.475   5.475
  732   1HG1  VAL  94          1HG1      VAL  94  -0.551   6.653   6.653
  733   2HG1  VAL  94          3HG1      VAL  94   0.131   5.561   5.561
  734   3HG1  VAL  94          2HG1      VAL  94  -0.811   4.916   4.916
  735   1HG2  VAL  94          1HG2      VAL  94  -2.530   5.402   5.402
  736   2HG2  VAL  94          3HG2      VAL  94  -2.035   4.001   4.001
  737   3HG2  VAL  94          2HG2      VAL  94  -0.823   5.144   5.144
  738    H    LYS  95           H        LYS  95  -1.605   7.000   7.000
  739    HA   LYS  95           HA       LYS  95   0.784   8.739   8.739
  740   1HB   LYS  95          2HB       LYS  95  -1.070   8.398   8.398
  741   2HB   LYS  95          1HB       LYS  95   0.434   9.320   9.320
  742   1HG   LYS  95          2HG       LYS  95  -0.403  10.793  10.793
  743   2HG   LYS  95          1HG       LYS  95  -1.899   9.863   9.863
  744   1HD   LYS  95          2HD       LYS  95  -2.461  11.693  11.693
  745   2HD   LYS  95          1HD       LYS  95  -2.119  10.402  10.402
  746   1HE   LYS  95          2HE       LYS  95  -0.041  11.308  11.308
  747   2HE   LYS  95          1HE       LYS  95   0.085  12.242  12.242
  748   1HZ   LYS  95          3HZ       LYS  95  -1.762  13.621  13.621
  749   2HZ   LYS  95          2HZ       LYS  95  -1.812  12.747  12.747
  750   3HZ   LYS  95          1HZ       LYS  95  -0.446  13.681  13.681
  751    H    CYS  96           H        CYS  96   2.739   7.956   7.956
  752    HA   CYS  96           HA       CYS  96   2.560   5.103   5.103
  753   1HB   CYS  96          2HB       CYS  96   5.066   6.272   6.272
  754   2HB   CYS  96          1HB       CYS  96   4.534   4.593   4.593
  755    H    GLU  97           H        GLU  97   3.058   4.723   4.723
  756    HA   GLU  97           HA       GLU  97   5.329   6.162   6.162
  757   1HB   GLU  97          2HB       GLU  97   3.295   7.021   7.021
  758   2HB   GLU  97          1HB       GLU  97   2.702   5.382   5.382
  759   1HG   GLU  97          2HG       GLU  97   4.359   4.919   4.919
  760   2HG   GLU  97          1HG       GLU  97   5.367   6.269   6.269
  761    H    ASN  98           H        ASN  98   6.703   4.608   4.608
  762    HA   ASN  98           HA       ASN  98   7.630   2.418   2.418
  763   1HB   ASN  98          2HB       ASN  98   4.702   2.093   2.093
  764   2HB   ASN  98          1HB       ASN  98   5.657   0.630   0.630
  765   1HD2  ASN  98          2HD2      ASN  98   6.734   3.066   3.066
  766   2HD2  ASN  98          1HD2      ASN  98   6.138   3.774   3.774
  767    H    GLN  99           H        GLN  99   6.857   3.523   3.523
  768    HA   GLN  99           HA       GLN  99   6.615   3.065   3.065
  769   1HB   GLN  99          2HB       GLN  99   7.927   1.141   1.141
  770   2HB   GLN  99          1HB       GLN  99   8.824   2.114   2.114
  771   1HG   GLN  99          2HG       GLN  99   8.452   0.494   0.494
  772   2HG   GLN  99          1HG       GLN  99   7.339  -0.423  -0.423
  773   1HE2  GLN  99          2HE2      GLN  99  11.262  -0.492  -0.492
  774   2HE2  GLN  99          1HE2      GLN  99  10.569   0.985   0.985
  775    H    TYR 100           H        TYR 100   4.493   1.856   1.856
  776    HA   TYR 100           HA       TYR 100   3.201   0.254   0.254
  777   1HB   TYR 100          2HB       TYR 100   2.606  -1.414  -1.414
  778   2HB   TYR 100          1HB       TYR 100   3.753  -0.741  -0.741
  779    HD1  TYR 100           HD2      TYR 100   0.156  -0.058  -0.058
  780    HD2  TYR 100           HD1      TYR 100   2.955  -0.468  -0.468
  781    HE1  TYR 100           HE2      TYR 100  -1.671   0.353   0.353
  782    HE2  TYR 100           HE1      TYR 100   1.128  -0.062  -0.062
  783    HH   TYR 100           HH       TYR 100  -1.625   1.333   1.333
  784    HA   PRO 101           HA       PRO 101   0.535   3.727   3.727
  785   1HB   PRO 101          2HB       PRO 101  -1.877   2.554   2.554
  786   2HB   PRO 101          1HB       PRO 101  -0.596   2.935   2.935
  787   1HG   PRO 101          2HG       PRO 101  -1.296   0.284   0.284
  788   2HG   PRO 101          1HG       PRO 101  -0.697   0.640   0.640
  789   1HD   PRO 101          2HD       PRO 101   0.922  -0.349  -0.349
  790   2HD   PRO 101          1HD       PRO 101   1.527   0.684   0.684
  791    H    VAL 102           H        VAL 102   0.625   4.228   4.228
  792    HA   VAL 102           HA       VAL 102  -1.111   2.752   2.752
  793    HB   VAL 102           HB       VAL 102   0.920   4.973   4.973
  794   1HG1  VAL 102          3HG1      VAL 102  -0.779   3.561   3.561
  795   2HG1  VAL 102          2HG1      VAL 102   0.645   4.529   4.529
  796   3HG1  VAL 102          1HG1      VAL 102  -0.764   5.287   5.287
  797   1HG2  VAL 102          1HG2      VAL 102   1.365   2.339   2.339
  798   2HG2  VAL 102          3HG2      VAL 102   2.399   3.336   3.336
  799   3HG2  VAL 102          2HG2      VAL 102   1.153   2.335   2.335
  800    H    HIS 103           H        HIS 103  -1.326   5.585   5.585
  801    HA   HIS 103           HA       HIS 103  -3.814   6.369   6.369
  802   1HB   HIS 103          2HB       HIS 103  -2.559   8.824   8.824
  803   2HB   HIS 103          1HB       HIS 103  -2.854   8.223   8.223
  804    HD1  HIS 103           HD1      HIS 103  -0.717   8.531   8.531
  805    HD2  HIS 103           HD2      HIS 103   0.041   7.114   7.114
  806    HE1  HIS 103           HE1      HIS 103   1.781   8.081   8.081
  807    H    PHE 104           H        PHE 104  -5.355   7.355   7.355
  808    HA   PHE 104           HA       PHE 104  -4.413   7.159   7.159
  809   1HB   PHE 104          2HB       PHE 104  -6.751   6.092   6.092
  810   2HB   PHE 104          1HB       PHE 104  -7.327   7.635   7.635
  811    HD1  PHE 104           HD1      PHE 104  -4.916   7.606   7.606
  812    HD2  PHE 104           HD2      PHE 104  -8.088   4.906   4.906
  813    HE1  PHE 104           HE1      PHE 104  -4.749   6.625   6.625
  814    HE2  PHE 104           HE2      PHE 104  -7.944   3.912   3.912
  815    HZ   PHE 104           HZ       PHE 104  -6.285   4.759   4.759
  816    H    ALA 105           H        ALA 105  -3.936   9.070   9.070
  817    HA   ALA 105           HA       ALA 105  -4.343  11.627  11.627
  818   1HB   ALA 105          3HB       ALA 105  -3.279  10.649  10.649
  819   2HB   ALA 105          2HB       ALA 105  -4.002  12.253  12.253
  820   3HB   ALA 105          1HB       ALA 105  -2.691  11.933  11.933
  821    H    GLY 106           H        GLY 106  -6.258   9.854   9.854
  822   1HA   GLY 106          2HA       GLY 106  -8.769  10.433  10.433
  823   2HA   GLY 106          1HA       GLY 106  -8.250  12.086  12.086
  824    H    ILE 107           H        ILE 107  -9.736  12.017  12.017
  825    HA   ILE 107           HA       ILE 107  -9.642  10.230  10.230
  826    HB   ILE 107           HB       ILE 107 -11.375  11.987  11.987
  827   1HG1  ILE 107          2HG1      ILE 107 -11.597  12.680  12.680
  828   2HG1  ILE 107          1HG1      ILE 107  -9.930  12.209  12.209
  829   1HG2  ILE 107          1HG2      ILE 107  -9.703  13.767  13.767
  830   2HG2  ILE 107          3HG2      ILE 107  -9.307  13.933  13.933
  831   3HG2  ILE 107          2HG2      ILE 107 -10.936  14.300  14.300
  832   1HD1  ILE 107          2HD1      ILE 107 -11.319  10.019  10.019
  833   2HD1  ILE 107          1HD1      ILE 107 -12.244  10.572  10.572
  834   3HD1  ILE 107          3HD1      ILE 107 -10.567  10.071  10.071
  835    H    GLY 108           H        GLY 108  -8.717  10.647  10.647
  836   1HA   GLY 108          2HA       GLY 108  -5.891  10.893  10.893
  837   2HA   GLY 108          1HA       GLY 108  -6.886  11.000  11.000
  838    H    ARG 109           H        ARG 109  -5.303  12.833  12.833
  839    HA   ARG 109           HA       ARG 109  -4.951  15.172  15.172
  840   1HB   ARG 109          2HB       ARG 109  -7.474  14.977  14.977
  841   2HB   ARG 109          1HB       ARG 109  -6.538  16.337  16.337
  842   1HG   ARG 109          2HG       ARG 109  -6.183  17.044  17.044
  843   2HG   ARG 109          1HG       ARG 109  -7.376  15.823  15.823
  844   1HD   ARG 109          2HD       ARG 109  -8.949  16.923  16.923
  845   2HD   ARG 109          1HD       ARG 109  -7.785  18.245  18.245
  846    HE   ARG 109           HE       ARG 109  -9.017  17.452  17.452
  847   1HH1  ARG 109          2HH1      ARG 109  -6.903  19.662  19.662
  848   2HH1  ARG 109          1HH1      ARG 109  -7.910  21.070  21.070
  849   1HH2  ARG 109          1HH2      ARG 109 -10.864  19.300  19.300
  850   2HH2  ARG 109          2HH2      ARG 109 -10.152  20.866  20.866
  851    H    CYS 110           H        CYS 110  -2.896  15.466  15.466
  852    HA   CYS 110           HA       CYS 110  -2.564  16.236  16.236
  853   1HB   CYS 110          2HB       CYS 110  -1.382  13.768  13.768
  854   2HB   CYS 110          1HB       CYS 110  -0.490  14.635  14.635
  855    HA   PRO 111           HA       PRO 111   0.183  18.422  18.422
  856   1HB   PRO 111          2HB       PRO 111  -1.045  20.878  20.878
  857   2HB   PRO 111          1HB       PRO 111  -1.478  19.609  19.609
  858   1HG   PRO 111          2HG       PRO 111  -2.951  20.518  20.518
  859   2HG   PRO 111          1HG       PRO 111  -3.579  19.772  19.772
  860   1HD   PRO 111          1HD       PRO 111  -3.169  18.461  18.461
  861   2HD   PRO 111          2HD       PRO 111  -3.469  17.674  17.674

  Start of MODEL   11
    1    HN   PCA   1           HN       PCA   1  -2.537   4.558   4.558
    2    HA   PCA   1           HA       PCA   1  -2.329   5.187   5.187
    3   1HB   PCA   1          1HB       PCA   1  -4.319   5.403   5.403
    4   2HB   PCA   1          2HB       PCA   1  -4.597   3.659   3.659
    5   1HG   PCA   1          1HG       PCA   1  -5.828   5.806   5.806
    6   2HG   PCA   1          2HG       PCA   1  -6.111   4.063   4.063
    7    H    ASN   2           H        ASN   2  -3.580   2.254   2.254
    8    HA   ASN   2           HA       ASN   2  -1.323   0.688   0.688
    9   1HB   ASN   2          2HB       ASN   2  -2.802   0.576   0.576
   10   2HB   ASN   2          1HB       ASN   2  -4.133   0.038   0.038
   11   1HD2  ASN   2          2HD2      ASN   2  -1.009  -2.623  -2.623
   12   2HD2  ASN   2          1HD2      ASN   2  -0.663  -0.970  -0.970
   13    H    TRP   3           H        TRP   3  -1.213  -1.392  -1.392
   14    HA   TRP   3           HA       TRP   3  -2.116  -1.351  -1.351
   15   1HB   TRP   3          2HB       TRP   3  -0.178  -2.730  -2.730
   16   2HB   TRP   3          1HB       TRP   3  -1.225  -3.975  -3.975
   17    HD1  TRP   3           HD1      TRP   3   1.844  -2.481  -2.481
   18    HE1  TRP   3           HE1      TRP   3   2.499  -2.576  -2.576
   19    HE3  TRP   3           HE3      TRP   3  -2.755  -3.311  -3.311
   20    HZ2  TRP   3           HZ2      TRP   3   1.281  -2.961  -2.961
   21    HZ3  TRP   3           HZ3      TRP   3  -2.948  -3.562  -3.562
   22    HH2  TRP   3           HH2      TRP   3  -0.935  -3.390  -3.390
   23    H    ALA   4           H        ALA   4  -3.390  -2.851  -2.851
   24    HA   ALA   4           HA       ALA   4  -5.045  -4.850  -4.850
   25   1HB   ALA   4          3HB       ALA   4  -5.005  -3.671  -3.671
   26   2HB   ALA   4          2HB       ALA   4  -6.194  -4.876  -4.876
   27   3HB   ALA   4          1HB       ALA   4  -4.475  -5.272  -5.272
   28    H    THR   5           H        THR   5  -6.011  -1.914  -1.914
   29    HA   THR   5           HA       THR   5  -8.703  -1.855  -1.855
   30    HB   THR   5           HB       THR   5  -7.054   0.530   0.530
   31    HG1  THR   5           HG1      THR   5  -7.662  -0.043  -0.043
   32   1HG2  THR   5          1HG2      THR   5  -9.451   0.653   0.653
   33   2HG2  THR   5          3HG2      THR   5  -9.975   0.105   0.105
   34   3HG2  THR   5          2HG2      THR   5  -9.074   1.614   1.614
   35    H    PHE   6           H        PHE   6  -5.654  -0.607  -0.607
   36    HA   PHE   6           HA       PHE   6  -6.830   0.925   0.925
   37   1HB   PHE   6          2HB       PHE   6  -4.595   1.422   1.422
   38   2HB   PHE   6          1HB       PHE   6  -4.037  -0.098  -0.098
   39    HD1  PHE   6           HD2      PHE   6  -4.185  -0.455  -0.455
   40    HD2  PHE   6           HD1      PHE   6  -4.817   3.409   3.409
   41    HE1  PHE   6           HE2      PHE   6  -3.838   0.623   0.623
   42    HE2  PHE   6           HE1      PHE   6  -4.480   4.492   4.492
   43    HZ   PHE   6           HZ       PHE   6  -3.995   3.090   3.090
   44    H    GLN   7           H        GLN   7  -5.954  -2.397  -2.397
   45    HA   GLN   7           HA       GLN   7  -5.625  -3.331  -3.331
   46   1HB   GLN   7          2HB       GLN   7  -5.292  -4.781  -4.781
   47   2HB   GLN   7          1HB       GLN   7  -7.041  -4.793  -4.793
   48   1HG   GLN   7          2HG       GLN   7  -7.413  -5.958  -5.958
   49   2HG   GLN   7          1HG       GLN   7  -5.772  -5.651  -5.651
   50   1HE2  GLN   7          2HE2      GLN   7  -6.485  -8.966  -8.966
   51   2HE2  GLN   7          1HE2      GLN   7  -7.720  -7.995  -7.995
   52    H    GLN   8           H        GLN   8  -8.428  -2.478  -2.478
   53    HA   GLN   8           HA       GLN   8 -10.399  -3.302  -3.302
   54   1HB   GLN   8          2HB       GLN   8 -10.444  -1.854  -1.854
   55   2HB   GLN   8          1HB       GLN   8 -11.793  -1.595  -1.595
   56   1HG   GLN   8          2HG       GLN   8 -12.594  -3.466  -3.466
   57   2HG   GLN   8          1HG       GLN   8 -11.629  -4.269  -4.269
   58   1HE2  GLN   8          2HE2      GLN   8  -9.151  -5.421  -5.421
   59   2HE2  GLN   8          1HE2      GLN   8  -9.546  -5.184  -5.184
   60    H    LYS   9           H        LYS   9  -8.733  -0.321  -0.321
   61    HA   LYS   9           HA       LYS   9 -10.048   1.669   1.669
   62   1HB   LYS   9          2HB       LYS   9  -7.102   1.291   1.291
   63   2HB   LYS   9          1HB       LYS   9  -7.675   2.656   2.656
   64   1HG   LYS   9          2HG       LYS   9  -8.824   1.981   1.981
   65   2HG   LYS   9          1HG       LYS   9  -7.422   3.034   3.034
   66   1HD   LYS   9          2HD       LYS   9  -9.196   4.068   4.068
   67   2HD   LYS   9          1HD       LYS   9 -10.270   3.572   3.572
   68   1HE   LYS   9          2HE       LYS   9  -7.762   5.102   5.102
   69   2HE   LYS   9          1HE       LYS   9  -9.189   5.962   5.962
   70   1HZ   LYS   9          2HZ       LYS   9 -10.296   4.424   4.424
   71   2HZ   LYS   9          1HZ       LYS   9  -8.745   4.582   4.582
   72   3HZ   LYS   9          3HZ       LYS   9  -9.668   5.965   5.965
   73    H    HIS  10           H        HIS  10  -7.483  -0.406  -0.406
   74    HA   HIS  10           HA       HIS  10  -8.178   0.559   0.559
   75   1HB   HIS  10          2HB       HIS  10  -5.785  -0.765  -0.765
   76   2HB   HIS  10          1HB       HIS  10  -6.143  -1.117  -1.117
   77    HD1  HIS  10           HD1      HIS  10  -4.930   0.385   0.385
   78    HD2  HIS  10           HD2      HIS  10  -6.059   2.334   2.334
   79    HE1  HIS  10           HE1      HIS  10  -4.023   2.742   2.742
   80    H    ILE  11           H        ILE  11  -8.845  -2.219  -2.219
   81    HA   ILE  11           HA       ILE  11  -9.532  -3.696  -3.696
   82    HB   ILE  11           HB       ILE  11  -8.762  -5.068  -5.068
   83   1HG1  ILE  11          2HG1      ILE  11  -6.865  -3.667  -3.667
   84   2HG1  ILE  11          1HG1      ILE  11  -6.515  -5.361  -5.361
   85   1HG2  ILE  11          1HG2      ILE  11  -9.977  -6.050  -6.050
   86   2HG2  ILE  11          3HG2      ILE  11  -8.286  -6.246  -6.246
   87   3HG2  ILE  11          2HG2      ILE  11  -8.894  -7.000  -7.000
   88   1HD1  ILE  11          1HD1      ILE  11  -7.767  -4.457  -4.457
   89   2HD1  ILE  11          3HD1      ILE  11  -6.712  -3.126  -3.126
   90   3HD1  ILE  11          2HD1      ILE  11  -6.043  -4.733  -4.733
   91    H    ILE  12           H        ILE  12 -11.654  -2.419  -2.419
   92    HA   ILE  12           HA       ILE  12 -13.441  -4.112  -4.112
   93    HB   ILE  12           HB       ILE  12 -14.092  -1.515  -1.515
   94   1HG1  ILE  12          2HG1      ILE  12 -14.196  -1.149  -1.149
   95   2HG1  ILE  12          1HG1      ILE  12 -12.679  -1.987  -1.987
   96   1HG2  ILE  12          3HG2      ILE  12 -15.599  -3.417  -3.417
   97   2HG2  ILE  12          2HG2      ILE  12 -15.952  -1.699  -1.699
   98   3HG2  ILE  12          1HG2      ILE  12 -16.152  -2.494  -2.494
   99   1HD1  ILE  12          3HD1      ILE  12 -12.234  -0.253  -0.253
  100   2HD1  ILE  12          2HD1      ILE  12 -13.616   0.637   0.637
  101   3HD1  ILE  12          1HD1      ILE  12 -12.209   0.362   0.362
  102    H    ASN  13           H        ASN  13 -12.615  -5.626  -5.626
  103    HA   ASN  13           HA       ASN  13 -13.585  -5.317  -5.317
  104   1HB   ASN  13          2HB       ASN  13 -12.762  -7.611  -7.611
  105   2HB   ASN  13          1HB       ASN  13 -11.577  -6.622  -6.622
  106   1HD2  ASN  13          2HD2      ASN  13 -12.841  -9.996  -9.996
  107   2HD2  ASN  13          1HD2      ASN  13 -13.081  -9.631  -9.631
  108    H    THR  14           H        THR  14 -15.856  -4.887  -4.887
  109    HA   THR  14           HA       THR  14 -17.456  -7.402  -7.402
  110    HB   THR  14           HB       THR  14 -19.180  -6.043  -6.043
  111    HG1  THR  14           HG1      THR  14 -17.868  -4.110  -4.110
  112   1HG2  THR  14          3HG2      THR  14 -16.642  -7.251  -7.251
  113   2HG2  THR  14          2HG2      THR  14 -17.941  -6.706  -6.706
  114   3HG2  THR  14          1HG2      THR  14 -18.245  -7.984  -7.984
  115    HA   PRO  15           HA       PRO  15 -18.473  -4.325  -4.325
  116   1HB   PRO  15          2HB       PRO  15 -18.218  -6.061  -6.061
  117   2HB   PRO  15          1HB       PRO  15 -16.888  -5.094  -5.094
  118   1HG   PRO  15          2HG       PRO  15 -17.408  -8.006  -8.006
  119   2HG   PRO  15          1HG       PRO  15 -15.877  -7.121  -7.121
  120   1HD   PRO  15          2HD       PRO  15 -17.421  -8.100  -8.100
  121   2HD   PRO  15          1HD       PRO  15 -16.035  -6.987  -6.987
  122    H    ILE  16           H        ILE  16 -20.192  -6.713  -6.713
  123    HA   ILE  16           HA       ILE  16 -22.125  -7.523  -7.523
  124    HB   ILE  16           HB       ILE  16 -23.628  -7.882  -7.882
  125   1HG1  ILE  16          2HG1      ILE  16 -21.272  -7.005  -7.005
  126   2HG1  ILE  16          1HG1      ILE  16 -22.544  -5.866  -5.866
  127   1HG2  ILE  16          1HG2      ILE  16 -20.850  -8.936  -8.936
  128   2HG2  ILE  16          3HG2      ILE  16 -21.746  -9.340  -9.340
  129   3HG2  ILE  16          2HG2      ILE  16 -22.388  -9.788  -9.788
  130   1HD1  ILE  16          1HD1      ILE  16 -24.107  -7.851  -7.851
  131   2HD1  ILE  16          3HD1      ILE  16 -22.672  -8.237  -8.237
  132   3HD1  ILE  16          2HD1      ILE  16 -23.440  -6.657  -6.657
  133    H    ILE  17           H        ILE  17 -24.632  -6.652  -6.652
  134    HA   ILE  17           HA       ILE  17 -24.504  -3.735  -3.735
  135    HB   ILE  17           HB       ILE  17 -27.078  -5.266  -5.266
  136   1HG1  ILE  17          2HG1      ILE  17 -25.479  -6.779  -6.779
  137   2HG1  ILE  17          1HG1      ILE  17 -26.463  -5.960  -5.960
  138   1HG2  ILE  17          2HG2      ILE  17 -25.717  -2.939  -2.939
  139   2HG2  ILE  17          1HG2      ILE  17 -27.093  -3.740  -3.740
  140   3HG2  ILE  17          3HG2      ILE  17 -27.276  -2.984  -2.984
  141   1HD1  ILE  17          2HD1      ILE  17 -24.240  -4.273  -4.273
  142   2HD1  ILE  17          1HD1      ILE  17 -23.586  -5.908  -5.908
  143   3HD1  ILE  17          3HD1      ILE  17 -24.552  -5.275  -5.275
  144    H    ASN  18           H        ASN  18 -24.097  -4.637  -4.637
  145    HA   ASN  18           HA       ASN  18 -26.354  -3.208  -3.208
  146   1HB   ASN  18          2HB       ASN  18 -25.197  -5.754  -5.754
  147   2HB   ASN  18          1HB       ASN  18 -26.643  -4.877  -4.877
  148   1HD2  ASN  18          2HD2      ASN  18 -28.492  -6.053  -6.053
  149   2HD2  ASN  18          1HD2      ASN  18 -28.174  -4.574  -4.574
  150    H    CYS  19           H        CYS  19 -25.097  -1.435  -1.435
  151    HA   CYS  19           HA       CYS  19 -22.346  -1.762  -1.762
  152   1HB   CYS  19          2HB       CYS  19 -24.015   0.775   0.775
  153   2HB   CYS  19          1HB       CYS  19 -22.263   0.635   0.635
  154    H    ASN  20           H        ASN  20 -25.439  -1.896  -1.896
  155    HA   ASN  20           HA       ASN  20 -24.414  -0.980  -0.980
  156   1HB   ASN  20          2HB       ASN  20 -26.706  -1.825  -1.825
  157   2HB   ASN  20          1HB       ASN  20 -26.698  -0.443  -0.443
  158   1HD2  ASN  20          2HD2      ASN  20 -28.483  -3.904  -3.904
  159   2HD2  ASN  20          1HD2      ASN  20 -27.722  -3.771  -3.771
  160    H    THR  21           H        THR  21 -25.711  -4.066  -4.066
  161    HA   THR  21           HA       THR  21 -25.121  -5.709  -5.709
  162    HB   THR  21           HB       THR  21 -24.772  -7.486  -7.486
  163    HG1  THR  21           HG1      THR  21 -26.025  -6.710  -6.710
  164   1HG2  THR  21          1HG2      THR  21 -26.839  -6.730  -6.730
  165   2HG2  THR  21          3HG2      THR  21 -27.540  -6.492  -6.492
  166   3HG2  THR  21          2HG2      THR  21 -26.903  -8.071  -8.071
  167    H    ILE  22           H        ILE  22 -23.025  -4.652  -4.652
  168    HA   ILE  22           HA       ILE  22 -20.788  -6.319  -6.319
  169    HB   ILE  22           HB       ILE  22 -19.538  -5.299  -5.299
  170   1HG1  ILE  22          2HG1      ILE  22 -21.883  -3.398  -3.398
  171   2HG1  ILE  22          1HG1      ILE  22 -20.346  -2.955  -2.955
  172   1HG2  ILE  22          1HG2      ILE  22 -22.359  -6.166  -6.166
  173   2HG2  ILE  22          3HG2      ILE  22 -21.448  -5.516  -5.516
  174   3HG2  ILE  22          2HG2      ILE  22 -20.847  -6.926  -6.926
  175   1HD1  ILE  22          3HD1      ILE  22 -19.928  -4.273  -4.273
  176   2HD1  ILE  22          2HD1      ILE  22 -20.968  -2.868  -2.868
  177   3HD1  ILE  22          1HD1      ILE  22 -19.370  -2.693  -2.693
  178    H    MET  23           H        MET  23 -21.846  -2.981  -2.981
  179    HA   MET  23           HA       MET  23 -19.440  -2.293  -2.293
  180   1HB   MET  23          2HB       MET  23 -20.328  -0.785  -0.785
  181   2HB   MET  23          1HB       MET  23 -21.698  -0.446  -0.446
  182   1HG   MET  23          2HG       MET  23 -19.292  -0.153  -0.153
  183   2HG   MET  23          1HG       MET  23 -19.118   0.768   0.768
  184   1HE   MET  23          1HE       MET  23 -21.231   1.541   1.541
  185   2HE   MET  23          3HE       MET  23 -22.627   2.243   2.243
  186   3HE   MET  23          2HE       MET  23 -21.162   3.195   3.195
  187    H    ASP  24           H        ASP  24 -21.519  -4.115  -4.115
  188    HA   ASP  24           HA       ASP  24 -23.040  -2.588  -2.588
  189   1HB   ASP  24          2HB       ASP  24 -22.962  -5.410  -5.410
  190   2HB   ASP  24          1HB       ASP  24 -23.521  -5.153  -5.153
  191    H    ASN  25           H        ASN  25 -20.357  -2.140  -2.140
  192    HA   ASN  25           HA       ASN  25 -19.809  -3.677  -3.677
  193   1HB   ASN  25          2HB       ASN  25 -18.201  -4.262  -4.262
  194   2HB   ASN  25          1HB       ASN  25 -17.675  -2.589  -2.589
  195   1HD2  ASN  25          2HD2      ASN  25 -16.973  -4.634  -4.634
  196   2HD2  ASN  25          1HD2      ASN  25 -18.459  -4.841  -4.841
  197    H    ASN  26           H        ASN  26 -18.713  -2.441  -2.441
  198    HA   ASN  26           HA       ASN  26 -19.640   0.318   0.318
  199   1HB   ASN  26          2HB       ASN  26 -17.697  -1.156  -1.156
  200   2HB   ASN  26          1HB       ASN  26 -18.580   0.320   0.320
  201   1HD2  ASN  26          2HD2      ASN  26 -20.487  -3.287  -3.287
  202   2HD2  ASN  26          1HD2      ASN  26 -18.922  -3.174  -3.174
  203    H    ILE  27           H        ILE  27 -16.837  -1.082  -1.082
  204    HA   ILE  27           HA       ILE  27 -15.036   1.149   1.149
  205    HB   ILE  27           HB       ILE  27 -14.224  -1.170  -1.170
  206   1HG1  ILE  27          2HG1      ILE  27 -13.194   0.800   0.800
  207   2HG1  ILE  27          1HG1      ILE  27 -12.854   0.950   0.950
  208   1HG2  ILE  27          2HG2      ILE  27 -15.922  -1.452  -1.452
  209   2HG2  ILE  27          1HG2      ILE  27 -14.720  -0.605  -0.605
  210   3HG2  ILE  27          3HG2      ILE  27 -14.309  -2.137  -2.137
  211   1HD1  ILE  27          3HD1      ILE  27 -12.309  -1.619  -1.619
  212   2HD1  ILE  27          2HD1      ILE  27 -11.126  -0.312  -0.312
  213   3HD1  ILE  27          1HD1      ILE  27 -11.637  -1.078  -1.078
  214    H    TYR  28           H        TYR  28 -17.731   0.996   0.996
  215    HA   TYR  28           HA       TYR  28 -16.617   2.983   2.983
  216   1HB   TYR  28          2HB       TYR  28 -18.936   1.052   1.052
  217   2HB   TYR  28          1HB       TYR  28 -18.396   2.243   2.243
  218    HD1  TYR  28           HD2      TYR  28 -15.781   2.202   2.202
  219    HD2  TYR  28           HD1      TYR  28 -18.076  -1.117  -1.117
  220    HE1  TYR  28           HE2      TYR  28 -14.062   0.646   0.646
  221    HE2  TYR  28           HE1      TYR  28 -16.353  -2.683  -2.683
  222    HH   TYR  28           HH       TYR  28 -13.967  -2.651  -2.651
  223    H    ILE  29           H        ILE  29 -17.340   4.119   4.119
  224    HA   ILE  29           HA       ILE  29 -19.979   5.408   5.408
  225    HB   ILE  29           HB       ILE  29 -19.123   4.470   4.470
  226   1HG1  ILE  29          2HG1      ILE  29 -19.720   2.575   2.575
  227   2HG1  ILE  29          1HG1      ILE  29 -20.920   2.807   2.807
  228   1HG2  ILE  29          1HG2      ILE  29 -21.374   6.114   6.114
  229   2HG2  ILE  29          3HG2      ILE  29 -21.747   4.974   4.974
  230   3HG2  ILE  29          2HG2      ILE  29 -20.533   6.227   6.227
  231   1HD1  ILE  29          1HD1      ILE  29 -21.648   4.407   4.407
  232   2HD1  ILE  29          3HD1      ILE  29 -21.363   2.745   2.745
  233   3HD1  ILE  29          2HD1      ILE  29 -22.540   3.085   3.085
  234    H    VAL  30           H        VAL  30 -20.200   7.491   7.491
  235    HA   VAL  30           HA       VAL  30 -17.625   8.913   8.913
  236    HB   VAL  30           HB       VAL  30 -20.323  10.030  10.030
  237   1HG1  VAL  30          3HG1      VAL  30 -17.583  11.215  11.215
  238   2HG1  VAL  30          2HG1      VAL  30 -18.723  11.952  11.952
  239   3HG1  VAL  30          1HG1      VAL  30 -19.142  11.803  11.803
  240   1HG2  VAL  30          2HG2      VAL  30 -19.211   8.509   8.509
  241   2HG2  VAL  30          1HG2      VAL  30 -19.324  10.179  10.179
  242   3HG2  VAL  30          3HG2      VAL  30 -17.792   9.554   9.554
  243    H    GLY  31           H        GLY  31 -18.011  10.836  10.836
  244   1HA   GLY  31          2HA       GLY  31 -19.433   9.722   9.722
  245   2HA   GLY  31          1HA       GLY  31 -18.320  11.090  11.090
  246    H    GLY  32           H        GLY  32 -21.299  10.343  10.343
  247   1HA   GLY  32          2HA       GLY  32 -22.827  12.462  12.462
  248   2HA   GLY  32          1HA       GLY  32 -22.373  12.847  12.847
  249    H    GLN  33           H        GLN  33 -22.666  10.672  10.672
  250    HA   GLN  33           HA       GLN  33 -24.951   8.994   8.994
  251   1HB   GLN  33          2HB       GLN  33 -25.595  11.564  11.564
  252   2HB   GLN  33          1HB       GLN  33 -25.769  10.539  10.539
  253   1HG   GLN  33          2HG       GLN  33 -27.208   8.997   8.997
  254   2HG   GLN  33          1HG       GLN  33 -27.070  10.070  10.070
  255   1HE2  GLN  33          2HE2      GLN  33 -29.818  10.895  10.895
  256   2HE2  GLN  33          1HE2      GLN  33 -29.010   9.405   9.405
  257    H    CYS  34           H        CYS  34 -23.965  10.485  10.485
  258    HA   CYS  34           HA       CYS  34 -22.648   7.975   7.975
  259   1HB   CYS  34          2HB       CYS  34 -25.243   8.987   8.987
  260   2HB   CYS  34          1HB       CYS  34 -24.085   8.698   8.698
  261    H    LYS  35           H        LYS  35 -21.771   8.475   8.475
  262    HA   LYS  35           HA       LYS  35 -20.636  11.246  11.246
  263   1HB   LYS  35          2HB       LYS  35 -19.199   8.963   8.963
  264   2HB   LYS  35          1HB       LYS  35 -19.173   9.115   9.115
  265   1HG   LYS  35          2HG       LYS  35 -18.679  11.668  11.668
  266   2HG   LYS  35          1HG       LYS  35 -17.479  10.438  10.438
  267   1HD   LYS  35          2HD       LYS  35 -17.511  10.019  10.019
  268   2HD   LYS  35          1HD       LYS  35 -18.137  11.667  11.667
  269   1HE   LYS  35          2HE       LYS  35 -15.822  11.348  11.348
  270   2HE   LYS  35          1HE       LYS  35 -15.463  10.993  10.993
  271   1HZ   LYS  35          3HZ       LYS  35 -16.575  13.129  13.129
  272   2HZ   LYS  35          2HZ       LYS  35 -16.647  13.479  13.479
  273   3HZ   LYS  35          1HZ       LYS  35 -15.143  13.303  13.303
  274    H    ARG  36           H        ARG  36 -20.131  12.134  12.134
  275    HA   ARG  36           HA       ARG  36 -22.322  11.759  11.759
  276   1HB   ARG  36          2HB       ARG  36 -19.851  13.448  13.448
  277   2HB   ARG  36          1HB       ARG  36 -20.674  13.285  13.285
  278   1HG   ARG  36          2HG       ARG  36 -22.553  14.402  14.402
  279   2HG   ARG  36          1HG       ARG  36 -22.364  13.859  13.859
  280   1HD   ARG  36          2HD       ARG  36 -20.870  15.545  15.545
  281   2HD   ARG  36          1HD       ARG  36 -20.285  15.687  15.687
  282    HE   ARG  36           HE       ARG  36 -22.560  16.769  16.769
  283   1HH1  ARG  36          1HH2      ARG  36 -24.272  17.109  17.109
  284   2HH1  ARG  36          2HH2      ARG  36 -23.693  18.353  18.353
  285   1HH2  ARG  36          2HH1      ARG  36 -20.434  18.200  18.200
  286   2HH2  ARG  36          1HH1      ARG  36 -21.516  18.973  18.973
  287    H    VAL  37           H        VAL  37 -19.390  10.042  10.042
  288    HA   VAL  37           HA       VAL  37 -19.845   8.588   8.588
  289    HB   VAL  37           HB       VAL  37 -18.489  10.576  10.576
  290   1HG1  VAL  37          1HG1      VAL  37 -17.189  10.822  10.822
  291   2HG1  VAL  37          3HG1      VAL  37 -16.302   9.356   9.356
  292   3HG1  VAL  37          2HG1      VAL  37 -16.171  10.787  10.787
  293   1HG2  VAL  37          2HG2      VAL  37 -17.610   7.736   7.736
  294   2HG2  VAL  37          1HG2      VAL  37 -18.128   8.856   8.856
  295   3HG2  VAL  37          3HG2      VAL  37 -16.496   8.965   8.965
  296    H    ASN  38           H        ASN  38 -19.372   6.559   6.559
  297    HA   ASN  38           HA       ASN  38 -17.438   5.719   5.719
  298   1HB   ASN  38          2HB       ASN  38 -20.106   5.083   5.083
  299   2HB   ASN  38          1HB       ASN  38 -19.465   3.736   3.736
  300   1HD2  ASN  38          2HD2      ASN  38 -18.778   3.899   3.899
  301   2HD2  ASN  38          1HD2      ASN  38 -19.753   5.043   5.043
  302    H    THR  39           H        THR  39 -15.751   5.774   5.774
  303    HA   THR  39           HA       THR  39 -15.954   4.429   4.429
  304    HB   THR  39           HB       THR  39 -13.474   5.517   5.517
  305    HG1  THR  39           HG1      THR  39 -14.834   7.204   7.204
  306   1HG2  THR  39          2HG2      THR  39 -13.918   4.194   4.194
  307   2HG2  THR  39          1HG2      THR  39 -13.646   5.897   5.897
  308   3HG2  THR  39          3HG2      THR  39 -12.444   4.993   4.993
  309    H    PHE  40           H        PHE  40 -15.723   2.326   2.326
  310    HA   PHE  40           HA       PHE  40 -14.085   0.720   0.720
  311   1HB   PHE  40          2HB       PHE  40 -16.005  -0.191  -0.191
  312   2HB   PHE  40          1HB       PHE  40 -15.257  -1.213  -1.213
  313    HD1  PHE  40           HD1      PHE  40 -15.517   0.321   0.321
  314    HD2  PHE  40           HD2      PHE  40 -18.300  -0.146  -0.146
  315    HE1  PHE  40           HE1      PHE  40 -17.394   0.775   0.775
  316    HE2  PHE  40           HE2      PHE  40 -20.175   0.310   0.310
  317    HZ   PHE  40           HZ       PHE  40 -19.724   0.774   0.774
  318    H    ILE  41           H        ILE  41 -12.460  -0.802  -0.802
  319    HA   ILE  41           HA       ILE  41 -11.714  -0.018  -0.018
  320    HB   ILE  41           HB       ILE  41  -9.869  -0.177  -0.177
  321   1HG1  ILE  41          2HG1      ILE  41 -10.200   2.103   2.103
  322   2HG1  ILE  41          1HG1      ILE  41 -11.311   1.915   1.915
  323   1HG2  ILE  41          1HG2      ILE  41  -9.345  -0.358  -0.358
  324   2HG2  ILE  41          3HG2      ILE  41  -8.284   0.707   0.707
  325   3HG2  ILE  41          2HG2      ILE  41  -8.409  -1.000  -1.000
  326   1HD1  ILE  41          2HD1      ILE  41  -8.304   1.973   1.973
  327   2HD1  ILE  41          1HD1      ILE  41  -9.317   3.411   3.411
  328   3HD1  ILE  41          3HD1      ILE  41  -9.524   2.081   2.081
  329    H    ILE  42           H        ILE  42 -11.423  -1.750  -1.750
  330    HA   ILE  42           HA       ILE  42 -11.144  -4.430  -4.430
  331    HB   ILE  42           HB       ILE  42 -13.183  -4.254  -4.254
  332   1HG1  ILE  42          2HG1      ILE  42 -11.394  -5.787  -5.787
  333   2HG1  ILE  42          1HG1      ILE  42 -11.550  -6.316  -6.316
  334   1HG2  ILE  42          1HG2      ILE  42 -12.515  -2.398  -2.398
  335   2HG2  ILE  42          3HG2      ILE  42 -11.443  -3.486  -3.486
  336   3HG2  ILE  42          2HG2      ILE  42 -13.183  -3.747  -3.747
  337   1HD1  ILE  42          1HD1      ILE  42 -14.043  -5.671  -5.671
  338   2HD1  ILE  42          3HD1      ILE  42 -13.227  -7.202  -7.202
  339   3HD1  ILE  42          2HD1      ILE  42 -13.800  -6.835  -6.835
  340    H    SER  43           H        SER  43  -9.072  -4.974  -4.974
  341    HA   SER  43           HA       SER  43  -7.509  -5.637  -5.637
  342   1HB   SER  43          2HB       SER  43  -7.331  -3.220  -3.220
  343   2HB   SER  43          1HB       SER  43  -6.789  -2.959  -2.959
  344    HG   SER  43           HG       SER  43  -4.936  -4.121  -4.121
  345    H    SER  44           H        SER  44  -5.418  -6.526  -6.526
  346    HA   SER  44           HA       SER  44  -5.389  -7.618  -7.618
  347   1HB   SER  44          2HB       SER  44  -2.988  -8.272  -8.272
  348   2HB   SER  44          1HB       SER  44  -4.234  -8.864  -8.864
  349    HG   SER  44           HG       SER  44  -2.700  -7.965  -7.965
  350    H    ALA  45           H        ALA  45  -4.732  -6.703  -6.703
  351    HA   ALA  45           HA       ALA  45  -4.046  -4.003  -4.003
  352   1HB   ALA  45          1HB       ALA  45  -4.636  -5.981  -5.981
  353   2HB   ALA  45          3HB       ALA  45  -2.894  -5.891  -5.891
  354   3HB   ALA  45          2HB       ALA  45  -3.897  -4.464  -4.464
  355    H    THR  46           H        THR  46  -1.950  -6.703  -6.703
  356    HA   THR  46           HA       THR  46   0.493  -5.270  -5.270
  357    HB   THR  46           HB       THR  46   0.443  -7.655  -7.655
  358    HG1  THR  46           HG1      THR  46   2.433  -6.837  -6.837
  359   1HG2  THR  46          1HG2      THR  46  -0.576  -7.523  -7.523
  360   2HG2  THR  46          3HG2      THR  46   0.580  -8.817  -8.817
  361   3HG2  THR  46          2HG2      THR  46  -0.899  -8.713  -8.713
  362    H    THR  47           H        THR  47  -1.342  -5.746  -5.746
  363    HA   THR  47           HA       THR  47   0.721  -4.827  -4.827
  364    HB   THR  47           HB       THR  47  -1.360  -3.982  -3.982
  365    HG1  THR  47           HG1      THR  47  -3.266  -4.963  -4.963
  366   1HG2  THR  47          2HG2      THR  47  -0.020  -6.040  -6.040
  367   2HG2  THR  47          1HG2      THR  47  -1.079  -6.927  -6.927
  368   3HG2  THR  47          3HG2      THR  47  -1.727  -6.232  -6.232
  369    H    VAL  48           H        VAL  48  -1.749  -3.251  -3.251
  370    HA   VAL  48           HA       VAL  48  -1.132  -0.546  -0.546
  371    HB   VAL  48           HB       VAL  48  -2.381  -1.497  -1.497
  372   1HG1  VAL  48          1HG1      VAL  48  -1.583   1.052   1.052
  373   2HG1  VAL  48          3HG1      VAL  48  -3.311   1.015   1.015
  374   3HG1  VAL  48          2HG1      VAL  48  -2.736   0.679   0.679
  375   1HG2  VAL  48          1HG2      VAL  48  -3.375  -1.422  -1.422
  376   2HG2  VAL  48          3HG2      VAL  48  -3.964  -2.344  -2.344
  377   3HG2  VAL  48          2HG2      VAL  48  -4.440  -0.660  -0.660
  378    H    LYS  49           H        LYS  49  -0.015  -2.764  -2.764
  379    HA   LYS  49           HA       LYS  49   1.505  -0.981  -0.981
  380   1HB   LYS  49          2HB       LYS  49   1.050  -3.333  -3.333
  381   2HB   LYS  49          1HB       LYS  49   2.099  -3.890  -3.890
  382   1HG   LYS  49          2HG       LYS  49   3.853  -2.286  -2.286
  383   2HG   LYS  49          1HG       LYS  49   2.819  -2.592  -2.592
  384   1HD   LYS  49          2HD       LYS  49   3.117  -4.982  -4.982
  385   2HD   LYS  49          1HD       LYS  49   3.973  -4.777  -4.777
  386   1HE   LYS  49          2HE       LYS  49   5.641  -3.331  -3.331
  387   2HE   LYS  49          1HE       LYS  49   4.904  -4.049  -4.049
  388   1HZ   LYS  49          1HZ       LYS  49   5.359  -6.256  -6.256
  389   2HZ   LYS  49          3HZ       LYS  49   6.281  -5.452  -5.452
  390   3HZ   LYS  49          2HZ       LYS  49   6.745  -5.387  -5.387
  391    H    ALA  50           H        ALA  50   2.089  -2.279  -2.279
  392    HA   ALA  50           HA       ALA  50   4.933  -1.608  -1.608
  393   1HB   ALA  50          1HB       ALA  50   3.043  -2.993  -2.993
  394   2HB   ALA  50          3HB       ALA  50   4.110  -1.915  -1.915
  395   3HB   ALA  50          2HB       ALA  50   4.791  -3.173  -3.173
  396    H    ILE  51           H        ILE  51   1.890  -0.116  -0.116
  397    HA   ILE  51           HA       ILE  51   3.101   1.981   1.981
  398    HB   ILE  51           HB       ILE  51   0.682   1.223   1.223
  399   1HG1  ILE  51          2HG1      ILE  51   1.606   3.289   3.289
  400   2HG1  ILE  51          1HG1      ILE  51  -0.114   3.353   3.353
  401   1HG2  ILE  51          2HG2      ILE  51   0.704   2.199   2.199
  402   2HG2  ILE  51          1HG2      ILE  51  -0.470   3.105   3.105
  403   3HG2  ILE  51          3HG2      ILE  51  -0.571   1.348   1.348
  404   1HD1  ILE  51          1HD1      ILE  51   1.072   4.416   4.416
  405   2HD1  ILE  51          3HD1      ILE  51   2.048   5.059   5.059
  406   3HD1  ILE  51          2HD1      ILE  51   0.309   5.336   5.336
  407    H    CYS  52           H        CYS  52   2.571   1.647   1.647
  408    HA   CYS  52           HA       CYS  52   3.388   4.468   4.468
  409   1HB   CYS  52          2HB       CYS  52   1.475   2.899   2.899
  410   2HB   CYS  52          1HB       CYS  52   2.822   2.879   2.879
  411    H    THR  53           H        THR  53   5.171   2.044   2.044
  412    HA   THR  53           HA       THR  53   6.938   1.790   1.790
  413    HB   THR  53           HB       THR  53   7.452   0.826   0.826
  414    HG1  THR  53           HG1      THR  53   6.623  -1.171  -1.171
  415   1HG2  THR  53          1HG2      THR  53   9.264   0.954   0.954
  416   2HG2  THR  53          3HG2      THR  53   8.417  -0.447  -0.447
  417   3HG2  THR  53          2HG2      THR  53   9.120  -0.518  -0.518
  418    H    GLY  54           H        GLY  54   8.255   3.498   3.498
  419   1HA   GLY  54          2HA       GLY  54  10.040   4.544   4.544
  420   2HA   GLY  54          1HA       GLY  54   8.875   5.724   5.724
  421    H    VAL  55           H        VAL  55   8.791   5.682   5.682
  422    HA   VAL  55           HA       VAL  55  11.362   5.128   5.128
  423    HB   VAL  55           HB       VAL  55  11.546   7.322   7.322
  424   1HG1  VAL  55          1HG1      VAL  55   9.276   8.121   8.121
  425   2HG1  VAL  55          3HG1      VAL  55  10.298   8.652   8.652
  426   3HG1  VAL  55          2HG1      VAL  55  10.571   9.282   9.282
  427   1HG2  VAL  55          3HG2      VAL  55  12.736   6.454   6.454
  428   2HG2  VAL  55          2HG2      VAL  55  13.330   7.723   7.723
  429   3HG2  VAL  55          1HG2      VAL  55  12.324   8.140   8.140
  430    H    ILE  56           H        ILE  56  11.042   6.704   6.704
  431    HA   ILE  56           HA       ILE  56   8.680   5.410   5.410
  432    HB   ILE  56           HB       ILE  56  10.891   5.351   5.351
  433   1HG1  ILE  56          2HG1      ILE  56   9.275   7.043   7.043
  434   2HG1  ILE  56          1HG1      ILE  56   8.471   5.625   5.625
  435   1HG2  ILE  56          3HG2      ILE  56  11.141   7.957   7.957
  436   2HG2  ILE  56          2HG2      ILE  56  10.693   8.156   8.156
  437   3HG2  ILE  56          1HG2      ILE  56  12.116   7.208   7.208
  438   1HD1  ILE  56          1HD1      ILE  56  11.240   5.263   5.263
  439   2HD1  ILE  56          3HD1      ILE  56   9.942   5.481   5.481
  440   3HD1  ILE  56          2HD1      ILE  56   9.874   4.147   4.147
  441    H    ASN  57           H        ASN  57   8.366   7.741   7.741
  442    HA   ASN  57           HA       ASN  57   6.166   9.115   9.115
  443   1HB   ASN  57          2HB       ASN  57   8.200  10.058  10.058
  444   2HB   ASN  57          1HB       ASN  57   8.532  10.978  10.978
  445   1HD2  ASN  57          2HD2      ASN  57   5.934  12.577  12.577
  446   2HD2  ASN  57          1HD2      ASN  57   7.298  11.651  11.651
  447    H    MET  58           H        MET  58   5.167   9.572   9.572
  448    HA   MET  58           HA       MET  58   6.594  11.068  11.068
  449   1HB   MET  58          2HB       MET  58   7.001   8.395   8.395
  450   2HB   MET  58          1HB       MET  58   5.503   8.493   8.493
  451   1HG   MET  58          2HG       MET  58   7.110  10.608  10.608
  452   2HG   MET  58          1HG       MET  58   8.183   9.216   9.216
  453   1HE   MET  58          3HE       MET  58   8.393  10.013  10.013
  454   2HE   MET  58          2HE       MET  58   8.401   8.354   8.354
  455   3HE   MET  58          1HE       MET  58   7.389   9.560   9.560
  456    H    ASN  59           H        ASN  59   5.170  11.161  11.161
  457    HA   ASN  59           HA       ASN  59   2.244  11.002  11.002
  458   1HB   ASN  59          2HB       ASN  59   1.975  13.312  13.312
  459   2HB   ASN  59          1HB       ASN  59   2.823  13.308  13.308
  460   1HD2  ASN  59          2HD2      ASN  59   4.753  14.562  14.562
  461   2HD2  ASN  59          1HD2      ASN  59   3.144  14.023  14.023
  462    H    VAL  60           H        VAL  60   1.614   9.658   9.658
  463    HA   VAL  60           HA       VAL  60   2.530  10.279  10.279
  464    HB   VAL  60           HB       VAL  60   3.972   8.482   8.482
  465   1HG1  VAL  60          2HG1      VAL  60   1.359   7.011   7.011
  466   2HG1  VAL  60          1HG1      VAL  60   2.967   6.312   6.312
  467   3HG1  VAL  60          3HG1      VAL  60   2.437   7.610   7.610
  468   1HG2  VAL  60          1HG2      VAL  60   3.058   8.482   8.482
  469   2HG2  VAL  60          3HG2      VAL  60   3.735   6.969   6.969
  470   3HG2  VAL  60          2HG2      VAL  60   1.986   7.189   7.189
  471    H    LEU  61           H        LEU  61   1.091   9.058   9.058
  472    HA   LEU  61           HA       LEU  61  -1.616   8.492   8.492
  473   1HB   LEU  61          2HB       LEU  61  -2.575   9.754   9.754
  474   2HB   LEU  61          1HB       LEU  61  -1.806  10.763  10.763
  475    HG   LEU  61           HG       LEU  61   0.004   9.792   9.792
  476   1HD1  LEU  61          1HD1      LEU  61  -2.242  10.328  10.328
  477   2HD1  LEU  61          3HD1      LEU  61  -1.945  12.001  12.001
  478   3HD1  LEU  61          2HD1      LEU  61  -0.816  11.176  11.176
  479   1HD2  LEU  61          3HD2      LEU  61  -0.571  12.514  12.514
  480   2HD2  LEU  61          2HD2      LEU  61   0.688  11.398  11.398
  481   3HD2  LEU  61          1HD2      LEU  61   0.779  12.137  12.137
  482    H    SER  62           H        SER  62  -2.526   6.712   6.712
  483    HA   SER  62           HA       SER  62  -1.213   4.949   4.949
  484   1HB   SER  62          2HB       SER  62  -3.814   4.191   4.191
  485   2HB   SER  62          1HB       SER  62  -2.774   3.698   3.698
  486    HG   SER  62           HG       SER  62  -4.232   4.647   4.647
  487    H    THR  63           H        THR  63  -0.730   5.836   5.836
  488    HA   THR  63           HA       THR  63  -2.689   7.527   7.527
  489    HB   THR  63           HB       THR  63  -0.798   7.417   7.417
  490    HG1  THR  63           HG1      THR  63   0.415   5.765   5.765
  491   1HG2  THR  63          3HG2      THR  63  -1.020   8.879   8.879
  492   2HG2  THR  63          2HG2      THR  63   0.624   8.836   8.836
  493   3HG2  THR  63          1HG2      THR  63  -0.687   9.484   9.484
  494    H    THR  64           H        THR  64  -1.269   4.295   4.295
  495    HA   THR  64           HA       THR  64  -2.310   3.637   3.637
  496    HB   THR  64           HB       THR  64  -1.776   1.796   1.796
  497    HG1  THR  64           HG1      THR  64   0.005   3.062   3.062
  498   1HG2  THR  64          3HG2      THR  64  -3.173   0.822   0.822
  499   2HG2  THR  64          2HG2      THR  64  -1.858   1.183   1.183
  500   3HG2  THR  64          1HG2      THR  64  -1.610   0.031   0.031
  501    H    ARG  65           H        ARG  65  -3.681   1.657   1.657
  502    HA   ARG  65           HA       ARG  65  -6.218   2.855   2.855
  503   1HB   ARG  65          2HB       ARG  65  -7.611   1.492   1.492
  504   2HB   ARG  65          1HB       ARG  65  -6.504   2.530   2.530
  505   1HG   ARG  65          2HG       ARG  65  -5.026   0.206   0.206
  506   2HG   ARG  65          1HG       ARG  65  -6.657  -0.392  -0.392
  507   1HD   ARG  65          2HD       ARG  65  -6.682   1.288   1.288
  508   2HD   ARG  65          1HD       ARG  65  -4.929   1.311   1.311
  509    HE   ARG  65           HE       ARG  65  -6.468  -1.194  -1.194
  510   1HH1  ARG  65          1HH2      ARG  65  -3.452  -0.822  -0.822
  511   2HH1  ARG  65          2HH2      ARG  65  -2.674  -1.147  -1.147
  512   1HH2  ARG  65          2HH1      ARG  65  -5.595  -0.880  -0.880
  513   2HH2  ARG  65          1HH1      ARG  65  -3.890  -1.178  -1.178
  514    H    PHE  66           H        PHE  66  -6.303   2.002   2.002
  515    HA   PHE  66           HA       PHE  66  -5.881  -0.942  -0.942
  516   1HB   PHE  66          2HB       PHE  66  -6.062   1.380   1.380
  517   2HB   PHE  66          1HB       PHE  66  -6.058  -0.302  -0.302
  518    HD1  PHE  66           HD2      PHE  66  -4.068   2.283   2.283
  519    HD2  PHE  66           HD1      PHE  66  -4.017  -1.607  -1.607
  520    HE1  PHE  66           HE2      PHE  66  -1.605   2.217   2.217
  521    HE2  PHE  66           HE1      PHE  66  -1.553  -1.658  -1.658
  522    HZ   PHE  66           HZ       PHE  66  -0.346   0.249   0.249
  523    H    GLN  67           H        GLN  67  -8.200  -0.214  -0.214
  524    HA   GLN  67           HA       GLN  67 -10.595  -0.079  -0.079
  525   1HB   GLN  67          2HB       GLN  67  -9.485  -2.732  -2.732
  526   2HB   GLN  67          1HB       GLN  67 -11.233  -2.526  -2.526
  527   1HG   GLN  67          2HG       GLN  67 -11.194  -3.052  -3.052
  528   2HG   GLN  67          1HG       GLN  67 -10.743  -1.360  -1.360
  529   1HE2  GLN  67          2HE2      GLN  67  -8.012  -4.281  -4.281
  530   2HE2  GLN  67          1HE2      GLN  67  -9.558  -4.665  -4.665
  531    H    LEU  68           H        LEU  68 -11.734   1.267   1.267
  532    HA   LEU  68           HA       LEU  68 -11.938   0.352   0.352
  533   1HB   LEU  68          2HB       LEU  68 -12.914   2.678   2.678
  534   2HB   LEU  68          1HB       LEU  68 -11.203   2.584   2.584
  535    HG   LEU  68           HG       LEU  68 -11.513   3.482   3.482
  536   1HD1  LEU  68          1HD1      LEU  68 -14.454   2.906   2.906
  537   2HD1  LEU  68          3HD1      LEU  68 -13.876   4.002   4.002
  538   3HD1  LEU  68          2HD1      LEU  68 -13.411   2.304   2.304
  539   1HD2  LEU  68          1HD2      LEU  68 -11.896   5.008   5.008
  540   2HD2  LEU  68          3HD2      LEU  68 -12.464   5.613   5.613
  541   3HD2  LEU  68          2HD2      LEU  68 -13.609   4.924   4.924
  542    H    ASN  69           H        ASN  69 -13.952   0.463   0.463
  543    HA   ASN  69           HA       ASN  69 -16.374   0.140   0.140
  544   1HB   ASN  69          2HB       ASN  69 -15.433  -1.886  -1.886
  545   2HB   ASN  69          1HB       ASN  69 -16.241  -1.012  -1.012
  546   1HD2  ASN  69          2HD2      ASN  69 -18.474  -2.873  -2.873
  547   2HD2  ASN  69          1HD2      ASN  69 -16.796  -2.711  -2.711
  548    H    THR  70           H        THR  70 -17.169   2.277   2.277
  549    HA   THR  70           HA       THR  70 -17.049   3.569   3.569
  550    HB   THR  70           HB       THR  70 -18.015   4.774   4.774
  551    HG1  THR  70           HG1      THR  70 -15.434   4.825   4.825
  552   1HG2  THR  70          2HG2      THR  70 -18.478   5.813   5.813
  553   2HG2  THR  70          1HG2      THR  70 -16.753   6.182   6.182
  554   3HG2  THR  70          3HG2      THR  70 -17.797   6.844   6.844
  555    H    CYS  71           H        CYS  71 -18.694   3.894   3.894
  556    HA   CYS  71           HA       CYS  71 -21.481   3.554   3.554
  557   1HB   CYS  71          2HB       CYS  71 -20.293   2.629   2.629
  558   2HB   CYS  71          1HB       CYS  71 -22.028   2.843   2.843
  559    H    THR  72           H        THR  72 -22.361   5.595   5.595
  560    HA   THR  72           HA       THR  72 -21.145   7.579   7.579
  561    HB   THR  72           HB       THR  72 -22.911   8.244   8.244
  562    HG1  THR  72           HG1      THR  72 -20.119   7.746   7.746
  563   1HG2  THR  72          1HG2      THR  72 -20.812   9.694   9.694
  564   2HG2  THR  72          3HG2      THR  72 -21.330  10.265  10.265
  565   3HG2  THR  72          2HG2      THR  72 -22.496  10.152  10.152
  566    H    ARG  73           H        ARG  73 -22.390   8.888   8.888
  567    HA   ARG  73           HA       ARG  73 -24.903   7.847   7.847
  568   1HB   ARG  73          2HB       ARG  73 -23.024   9.408   9.408
  569   2HB   ARG  73          1HB       ARG  73 -24.135  10.670  10.670
  570   1HG   ARG  73          2HG       ARG  73 -25.955   9.099   9.099
  571   2HG   ARG  73          1HG       ARG  73 -24.571   8.479   8.479
  572   1HD   ARG  73          2HD       ARG  73 -24.304  10.409  10.409
  573   2HD   ARG  73          1HD       ARG  73 -24.765  11.432  11.432
  574    HE   ARG  73           HE       ARG  73 -26.843   9.881   9.881
  575   1HH1  ARG  73          2HH1      ARG  73 -28.439  11.273  11.273
  576   2HH1  ARG  73          1HH1      ARG  73 -28.521  12.909  12.909
  577   1HH2  ARG  73          1HH2      ARG  73 -25.667  12.659  12.659
  578   2HH2  ARG  73          2HH2      ARG  73 -26.952  13.694  13.694
  579    H    THR  74           H        THR  74 -26.542   7.894   7.894
  580    HA   THR  74           HA       THR  74 -27.237  10.561  10.561
  581    HB   THR  74           HB       THR  74 -28.361   9.089   9.089
  582    HG1  THR  74           HG1      THR  74 -27.931   7.146   7.146
  583   1HG2  THR  74          3HG2      THR  74 -26.152  10.477  10.477
  584   2HG2  THR  74          2HG2      THR  74 -25.362   8.902   8.902
  585   3HG2  THR  74          1HG2      THR  74 -26.440   9.293   9.293
  586    H    SER  75           H        SER  75 -29.627   8.161   8.161
  587    HA   SER  75           HA       SER  75 -31.099   8.462   8.462
  588   1HB   SER  75          2HB       SER  75 -33.058   9.555   9.555
  589   2HB   SER  75          1HB       SER  75 -31.662  10.598  10.598
  590    HG   SER  75           HG       SER  75 -31.979  10.872  10.872
  591    H    ILE  76           H        ILE  76 -31.348   6.220   6.220
  592    HA   ILE  76           HA       ILE  76 -33.369   5.061   5.061
  593    HB   ILE  76           HB       ILE  76 -31.889   3.113   3.113
  594   1HG1  ILE  76          2HG1      ILE  76 -29.367   4.502   4.502
  595   2HG1  ILE  76          1HG1      ILE  76 -30.127   4.429   4.429
  596   1HG2  ILE  76          3HG2      ILE  76 -32.337   5.223   5.223
  597   2HG2  ILE  76          2HG2      ILE  76 -30.677   5.667   5.667
  598   3HG2  ILE  76          1HG2      ILE  76 -31.006   4.165   4.165
  599   1HD1  ILE  76          3HD1      ILE  76 -30.560   1.934   1.934
  600   2HD1  ILE  76          2HD1      ILE  76 -29.356   2.149   2.149
  601   3HD1  ILE  76          1HD1      ILE  76 -28.915   2.411   2.411
  602    H    THR  77           H        THR  77 -34.472   3.433   3.433
  603    HA   THR  77           HA       THR  77 -35.235   2.110   2.110
  604    HB   THR  77           HB       THR  77 -33.695   0.531   0.531
  605    HG1  THR  77           HG1      THR  77 -31.872   1.220   1.220
  606   1HG2  THR  77          3HG2      THR  77 -33.996   0.555   0.555
  607   2HG2  THR  77          2HG2      THR  77 -32.403   1.305   1.305
  608   3HG2  THR  77          1HG2      THR  77 -32.584  -0.308  -0.308
  609    HA   PRO  78           HA       PRO  78 -35.134   4.546   4.546
  610   1HB   PRO  78          2HB       PRO  78 -35.723   2.728   2.728
  611   2HB   PRO  78          1HB       PRO  78 -36.918   3.359   3.359
  612   1HG   PRO  78          2HG       PRO  78 -35.638   0.673   0.673
  613   2HG   PRO  78          1HG       PRO  78 -37.200   1.153   1.153
  614   1HD   PRO  78          2HD       PRO  78 -34.828   0.660   0.660
  615   2HD   PRO  78          1HD       PRO  78 -36.306   1.426   1.426
  616    H    ARG  79           H        ARG  79 -33.853   1.463   1.463
  617    HA   ARG  79           HA       ARG  79 -31.456   2.967   2.967
  618   1HB   ARG  79          2HB       ARG  79 -33.213   0.934   0.934
  619   2HB   ARG  79          1HB       ARG  79 -31.487   0.712   0.712
  620   1HG   ARG  79          2HG       ARG  79 -31.826   2.199   2.199
  621   2HG   ARG  79          1HG       ARG  79 -31.721   3.400   3.400
  622   1HD   ARG  79          2HD       ARG  79 -34.057   3.636   3.636
  623   2HD   ARG  79          1HD       ARG  79 -34.353   2.092   2.092
  624    HE   ARG  79           HE       ARG  79 -33.330   3.303   3.303
  625   1HH1  ARG  79          1HH2      ARG  79 -33.707   5.630   5.630
  626   2HH1  ARG  79          2HH2      ARG  79 -34.897   6.565   6.565
  627   1HH2  ARG  79          2HH1      ARG  79 -35.471   4.150   4.150
  628   2HH2  ARG  79          1HH1      ARG  79 -35.895   5.727   5.727
  629    HA   PRO  80           HA       PRO  80 -29.773   1.778   1.778
  630   1HB   PRO  80          2HB       PRO  80 -27.057   1.919   1.919
  631   2HB   PRO  80          1HB       PRO  80 -27.880   0.480   0.480
  632   1HG   PRO  80          2HG       PRO  80 -26.766   0.979   0.979
  633   2HG   PRO  80          1HG       PRO  80 -26.977  -0.554  -0.554
  634   1HD   PRO  80          2HD       PRO  80 -28.656   0.415   0.415
  635   2HD   PRO  80          1HD       PRO  80 -29.052  -0.897  -0.897
  636    H    CYS  81           H        CYS  81 -27.873   2.688   2.688
  637    HA   CYS  81           HA       CYS  81 -28.754   5.509   5.509
  638   1HB   CYS  81          2HB       CYS  81 -26.009   4.435   4.435
  639   2HB   CYS  81          1HB       CYS  81 -26.221   5.783   5.783
  640    HA   PRO  82           HA       PRO  82 -29.566   5.153   5.153
  641   1HB   PRO  82          2HB       PRO  82 -29.219   7.735   7.735
  642   2HB   PRO  82          1HB       PRO  82 -30.634   7.198   7.198
  643   1HG   PRO  82          2HG       PRO  82 -28.281   8.795   8.795
  644   2HG   PRO  82          1HG       PRO  82 -29.956   8.829   8.829
  645   1HD   PRO  82          2HD       PRO  82 -27.832   7.545   7.545
  646   2HD   PRO  82          1HD       PRO  82 -29.560   7.223   7.223
  647    H    TYR  83           H        TYR  83 -28.091   4.118   4.118
  648    HA   TYR  83           HA       TYR  83 -25.710   5.645   5.645
  649   1HB   TYR  83          2HB       TYR  83 -25.594   3.096   3.096
  650   2HB   TYR  83          1HB       TYR  83 -24.426   3.344   3.344
  651    HD1  TYR  83           HD2      TYR  83 -25.850   4.967   4.967
  652    HD2  TYR  83           HD1      TYR  83 -22.544   4.688   4.688
  653    HE1  TYR  83           HE2      TYR  83 -24.509   6.442   6.442
  654    HE2  TYR  83           HE1      TYR  83 -21.205   6.154   6.154
  655    HH   TYR  83           HH       TYR  83 -21.331   6.672   6.672
  656    H    SER  84           H        SER  84 -25.182   5.288   5.288
  657    HA   SER  84           HA       SER  84 -26.644   3.111   3.111
  658   1HB   SER  84          2HB       SER  84 -26.952   5.602   5.602
  659   2HB   SER  84          1HB       SER  84 -25.282   5.522   5.522
  660    HG   SER  84           HG       SER  84 -27.569   4.197   4.197
  661    H    SER  85           H        SER  85 -25.281   1.890   1.890
  662    HA   SER  85           HA       SER  85 -22.416   1.882   1.882
  663   1HB   SER  85          2HB       SER  85 -23.982  -0.208  -0.208
  664   2HB   SER  85          1HB       SER  85 -23.699  -0.374  -0.374
  665    HG   SER  85           HG       SER  85 -21.466  -0.395  -0.395
  666    H    ARG  86           H        ARG  86 -20.766   1.477   1.477
  667    HA   ARG  86           HA       ARG  86 -21.289   1.552   1.552
  668   1HB   ARG  86          2HB       ARG  86 -21.678   3.957   3.957
  669   2HB   ARG  86          1HB       ARG  86 -20.000   4.022   4.022
  670   1HG   ARG  86          2HG       ARG  86 -19.145   3.770   3.770
  671   2HG   ARG  86          1HG       ARG  86 -20.634   3.046   3.046
  672   1HD   ARG  86          2HD       ARG  86 -21.767   5.274   5.274
  673   2HD   ARG  86          1HD       ARG  86 -20.177   5.952   5.952
  674    HE   ARG  86           HE       ARG  86 -19.812   6.001   6.001
  675   1HH1  ARG  86          1HH2      ARG  86 -22.889   4.949   4.949
  676   2HH1  ARG  86          2HH2      ARG  86 -22.848   3.857   3.857
  677   1HH2  ARG  86          2HH1      ARG  86 -19.402   4.002   4.002
  678   2HH2  ARG  86          1HH1      ARG  86 -20.873   3.323   3.323
  679    H    THR  87           H        THR  87 -19.254   1.436   1.436
  680    HA   THR  87           HA       THR  87 -16.814   0.841   0.841
  681    HB   THR  87           HB       THR  87 -16.407  -1.073  -1.073
  682    HG1  THR  87           HG1      THR  87 -19.201  -0.746  -0.746
  683   1HG2  THR  87          3HG2      THR  87 -18.308  -0.978  -0.978
  684   2HG2  THR  87          2HG2      THR  87 -18.435  -2.398  -2.398
  685   3HG2  THR  87          1HG2      THR  87 -16.903  -2.014  -2.014
  686    H    GLU  88           H        GLU  88 -14.830   1.336   1.336
  687    HA   GLU  88           HA       GLU  88 -14.738   2.068   2.068
  688   1HB   GLU  88          2HB       GLU  88 -15.638   4.077   4.077
  689   2HB   GLU  88          1HB       GLU  88 -14.040   4.547   4.547
  690   1HG   GLU  88          2HG       GLU  88 -14.910   4.009   4.009
  691   2HG   GLU  88          1HG       GLU  88 -16.518   3.993   3.993
  692    H    THR  89           H        THR  89 -12.626   3.644   3.644
  693    HA   THR  89           HA       THR  89 -10.359   2.035   2.035
  694    HB   THR  89           HB       THR  89 -10.473   4.923   4.923
  695    HG1  THR  89           HG1      THR  89 -10.134   2.475   2.475
  696   1HG2  THR  89          3HG2      THR  89  -8.284   3.413   3.413
  697   2HG2  THR  89          2HG2      THR  89  -8.190   3.342   3.342
  698   3HG2  THR  89          1HG2      THR  89  -8.227   4.902   4.902
  699    H    ASN  90           H        ASN  90  -8.868   2.380   2.380
  700    HA   ASN  90           HA       ASN  90  -9.818   4.351   4.351
  701   1HB   ASN  90          2HB       ASN  90  -9.652   1.895   1.895
  702   2HB   ASN  90          1HB       ASN  90  -7.907   2.086   2.086
  703   1HD2  ASN  90          2HD2      ASN  90  -9.552   4.580   4.580
  704   2HD2  ASN  90          1HD2      ASN  90 -10.150   4.607   4.607
  705    H    TYR  91           H        TYR  91  -8.825   6.158   6.158
  706    HA   TYR  91           HA       TYR  91  -5.851   6.233   6.233
  707   1HB   TYR  91          2HB       TYR  91  -6.159   8.508   8.508
  708   2HB   TYR  91          1HB       TYR  91  -6.389   7.056   7.056
  709    HD1  TYR  91           HD1      TYR  91  -8.689   6.268   6.268
  710    HD2  TYR  91           HD2      TYR  91  -7.973  10.010  10.010
  711    HE1  TYR  91           HE1      TYR  91 -10.978   7.009   7.009
  712    HE2  TYR  91           HE2      TYR  91 -10.268  10.755  10.755
  713    HH   TYR  91           HH       TYR  91 -12.046   9.632   9.632
  714    H    ILE  92           H        ILE  92  -5.440   6.745   6.745
  715    HA   ILE  92           HA       ILE  92  -6.911   9.084   9.084
  716    HB   ILE  92           HB       ILE  92  -6.939   7.798   7.798
  717   1HG1  ILE  92          2HG1      ILE  92  -6.319   5.515   5.515
  718   2HG1  ILE  92          1HG1      ILE  92  -5.288   6.074   6.074
  719   1HG2  ILE  92          3HG2      ILE  92  -8.871   8.130   8.130
  720   2HG2  ILE  92          2HG2      ILE  92  -8.543   6.486   6.486
  721   3HG2  ILE  92          1HG2      ILE  92  -9.029   6.779   6.779
  722   1HD1  ILE  92          3HD1      ILE  92  -7.403   5.597   5.597
  723   2HD1  ILE  92          2HD1      ILE  92  -7.878   4.567   4.567
  724   3HD1  ILE  92          1HD1      ILE  92  -6.368   4.259   4.259
  725    H    CYS  93           H        CYS  93  -5.902   9.527   9.527
  726    HA   CYS  93           HA       CYS  93  -2.933   9.695   9.695
  727   1HB   CYS  93          2HB       CYS  93  -4.218  11.850  11.850
  728   2HB   CYS  93          1HB       CYS  93  -4.716  11.629  11.629
  729    H    VAL  94           H        VAL  94  -2.018   8.243   8.243
  730    HA   VAL  94           HA       VAL  94  -3.152   7.876   7.876
  731    HB   VAL  94           HB       VAL  94  -0.931   6.106   6.106
  732   1HG1  VAL  94          3HG1      VAL  94  -3.386   6.020   6.020
  733   2HG1  VAL  94          2HG1      VAL  94  -2.790   4.495   4.495
  734   3HG1  VAL  94          1HG1      VAL  94  -1.747   5.481   5.481
  735   1HG2  VAL  94          3HG2      VAL  94  -2.716   6.377   6.377
  736   2HG2  VAL  94          2HG2      VAL  94  -2.090   4.797   4.797
  737   3HG2  VAL  94          1HG2      VAL  94  -3.668   5.313   5.313
  738    H    LYS  95           H        LYS  95  -1.337   7.432   7.432
  739    HA   LYS  95           HA       LYS  95   1.006   9.147   9.147
  740   1HB   LYS  95          2HB       LYS  95  -0.898   9.319   9.319
  741   2HB   LYS  95          1HB       LYS  95   0.796   9.741   9.741
  742   1HG   LYS  95          2HG       LYS  95   0.481  11.150  11.150
  743   2HG   LYS  95          1HG       LYS  95  -1.230  11.058  11.058
  744   1HD   LYS  95          2HD       LYS  95  -0.964  12.311  12.311
  745   2HD   LYS  95          1HD       LYS  95   0.726  11.843  11.843
  746   1HE   LYS  95          2HE       LYS  95   1.255  13.846  13.846
  747   2HE   LYS  95          1HE       LYS  95   0.691  13.200  13.200
  748   1HZ   LYS  95          2HZ       LYS  95  -1.292  14.275  14.275
  749   2HZ   LYS  95          1HZ       LYS  95  -0.328  15.372  15.372
  750   3HZ   LYS  95          3HZ       LYS  95  -1.302  14.262  14.262
  751    H    CYS  96           H        CYS  96   3.006   8.304   8.304
  752    HA   CYS  96           HA       CYS  96   2.757   5.564   5.564
  753   1HB   CYS  96          2HB       CYS  96   5.289   6.570   6.570
  754   2HB   CYS  96          1HB       CYS  96   4.676   4.924   4.924
  755    H    GLU  97           H        GLU  97   3.312   5.214   5.214
  756    HA   GLU  97           HA       GLU  97   5.705   6.503   6.503
  757   1HB   GLU  97          2HB       GLU  97   3.898   7.753   7.753
  758   2HB   GLU  97          1HB       GLU  97   2.985   6.281   6.281
  759   1HG   GLU  97          2HG       GLU  97   4.515   5.564   5.564
  760   2HG   GLU  97          1HG       GLU  97   5.757   6.693   6.693
  761    H    ASN  98           H        ASN  98   6.844   4.851   4.851
  762    HA   ASN  98           HA       ASN  98   7.460   2.581   2.581
  763   1HB   ASN  98          2HB       ASN  98   4.477   2.062   2.062
  764   2HB   ASN  98          1HB       ASN  98   5.787   1.183   1.183
  765   1HD2  ASN  98          2HD2      ASN  98   6.437   4.228   4.228
  766   2HD2  ASN  98          1HD2      ASN  98   7.341   3.376   3.376
  767    H    GLN  99           H        GLN  99   6.882   3.574   3.574
  768    HA   GLN  99           HA       GLN  99   6.512   3.017   3.017
  769   1HB   GLN  99          2HB       GLN  99   7.540   0.853   0.853
  770   2HB   GLN  99          1HB       GLN  99   8.577   1.821   1.821
  771   1HG   GLN  99          2HG       GLN  99   8.055   0.453   0.453
  772   2HG   GLN  99          1HG       GLN  99   6.800  -0.408  -0.408
  773   1HE2  GLN  99          2HE2      GLN  99  10.660  -1.577  -1.577
  774   2HE2  GLN  99          1HE2      GLN  99  10.193  -0.314  -0.314
  775    H    TYR 100           H        TYR 100   4.245   2.269   2.269
  776    HA   TYR 100           HA       TYR 100   2.770   0.678   0.678
  777   1HB   TYR 100          2HB       TYR 100   2.100  -0.899  -0.899
  778   2HB   TYR 100          1HB       TYR 100   3.277  -0.248  -0.248
  779    HD1  TYR 100           HD2      TYR 100  -0.272   0.453   0.453
  780    HD2  TYR 100           HD1      TYR 100   2.514   0.375   0.375
  781    HE1  TYR 100           HE2      TYR 100  -2.083   1.132   1.132
  782    HE2  TYR 100           HE1      TYR 100   0.698   1.043   1.043
  783    HH   TYR 100           HH       TYR 100  -2.152   2.350   2.350
  784    HA   PRO 101           HA       PRO 101   0.396   4.380   4.380
  785   1HB   PRO 101          2HB       PRO 101  -2.123   3.374   3.374
  786   2HB   PRO 101          1HB       PRO 101  -0.862   3.631   3.631
  787   1HG   PRO 101          2HG       PRO 101  -1.699   1.068   1.068
  788   2HG   PRO 101          1HG       PRO 101  -1.155   1.335   1.335
  789   1HD   PRO 101          2HD       PRO 101   0.493   0.282   0.282
  790   2HD   PRO 101          1HD       PRO 101   1.101   1.269   1.269
  791    H    VAL 102           H        VAL 102   0.686   4.867   4.867
  792    HA   VAL 102           HA       VAL 102  -1.066   3.700   3.700
  793    HB   VAL 102           HB       VAL 102   1.183   5.730   5.730
  794   1HG1  VAL 102          2HG1      VAL 102  -0.545   4.786   4.786
  795   2HG1  VAL 102          1HG1      VAL 102   1.021   5.570   5.570
  796   3HG1  VAL 102          3HG1      VAL 102  -0.311   6.448   6.448
  797   1HG2  VAL 102          3HG2      VAL 102   1.367   3.070   3.070
  798   2HG2  VAL 102          2HG2      VAL 102   2.496   4.020   4.020
  799   3HG2  VAL 102          1HG2      VAL 102   1.141   3.209   3.209
  800    H    HIS 103           H        HIS 103  -1.002   6.522   6.522
  801    HA   HIS 103           HA       HIS 103  -3.359   7.577   7.577
  802   1HB   HIS 103          2HB       HIS 103  -1.920   9.821   9.821
  803   2HB   HIS 103          1HB       HIS 103  -2.215   9.435   9.435
  804    HD1  HIS 103           HD1      HIS 103  -0.043   9.471   9.471
  805    HD2  HIS 103           HD2      HIS 103   0.476   7.922   7.922
  806    HE1  HIS 103           HE1      HIS 103   2.397   8.775   8.775
  807    H    PHE 104           H        PHE 104  -4.938   8.530   8.530
  808    HA   PHE 104           HA       PHE 104  -4.276   8.142   8.142
  809   1HB   PHE 104          2HB       PHE 104  -6.550   7.205   7.205
  810   2HB   PHE 104          1HB       PHE 104  -7.135   8.555   8.555
  811    HD1  PHE 104           HD2      PHE 104  -5.007   8.253   8.253
  812    HD2  PHE 104           HD1      PHE 104  -7.606   5.428   5.428
  813    HE1  PHE 104           HE2      PHE 104  -4.873   6.825   6.825
  814    HE2  PHE 104           HE1      PHE 104  -7.495   3.976   3.976
  815    HZ   PHE 104           HZ       PHE 104  -6.137   4.676   4.676
  816    H    ALA 105           H        ALA 105  -4.140   9.901   9.901
  817    HA   ALA 105           HA       ALA 105  -4.570  12.560  12.560
  818   1HB   ALA 105          3HB       ALA 105  -3.491  11.465  11.465
  819   2HB   ALA 105          2HB       ALA 105  -4.025  13.144  13.144
  820   3HB   ALA 105          1HB       ALA 105  -2.755  12.600  12.600
  821    H    GLY 106           H        GLY 106  -6.276  10.454  10.454
  822   1HA   GLY 106          2HA       GLY 106  -8.822  10.984  10.984
  823   2HA   GLY 106          1HA       GLY 106  -8.337  12.586  12.586
  824    H    ILE 107           H        ILE 107  -9.092  12.731  12.731
  825    HA   ILE 107           HA       ILE 107  -9.333  10.523  10.523
  826    HB   ILE 107           HB       ILE 107  -9.881  12.301  12.301
  827   1HG1  ILE 107          2HG1      ILE 107  -9.555  14.280  14.280
  828   2HG1  ILE 107          1HG1      ILE 107  -8.213  13.935  13.935
  829   1HG2  ILE 107          3HG2      ILE 107 -11.381  11.393  11.393
  830   2HG2  ILE 107          2HG2      ILE 107 -11.300  13.084  13.084
  831   3HG2  ILE 107          1HG2      ILE 107 -11.962  12.656  12.656
  832   1HD1  ILE 107          1HD1      ILE 107 -10.970  14.718  14.718
  833   2HD1  ILE 107          3HD1      ILE 107  -9.686  15.891  15.891
  834   3HD1  ILE 107          2HD1      ILE 107  -9.480  14.643  14.643
  835    H    GLY 108           H        GLY 108  -8.420  11.220  11.220
  836   1HA   GLY 108          2HA       GLY 108  -5.635  10.543  10.543
  837   2HA   GLY 108          1HA       GLY 108  -6.550  10.987  10.987
  838    H    ARG 109           H        ARG 109  -7.307  13.588  13.588
  839    HA   ARG 109           HA       ARG 109  -5.095  15.140  15.140
  840   1HB   ARG 109          2HB       ARG 109  -7.749  15.763  15.763
  841   2HB   ARG 109          1HB       ARG 109  -6.547  17.053  17.053
  842   1HG   ARG 109          2HG       ARG 109  -6.304  16.700  16.700
  843   2HG   ARG 109          1HG       ARG 109  -7.460  15.370  15.370
  844   1HD   ARG 109          2HD       ARG 109  -8.129  18.197  18.197
  845   2HD   ARG 109          1HD       ARG 109  -8.436  17.577  17.577
  846    HE   ARG 109           HE       ARG 109  -9.781  15.742  15.742
  847   1HH1  ARG 109          2HH1      ARG 109  -9.202  17.869  17.869
  848   2HH1  ARG 109          1HH1      ARG 109 -10.798  18.525  18.525
  849   1HH2  ARG 109          1HH2      ARG 109 -11.949  17.099  17.099
  850   2HH2  ARG 109          2HH2      ARG 109 -12.352  18.091  18.091
  851    H    CYS 110           H        CYS 110  -3.233  15.406  15.406
  852    HA   CYS 110           HA       CYS 110  -3.299  16.217  16.217
  853   1HB   CYS 110          2HB       CYS 110  -2.473  13.637  13.637
  854   2HB   CYS 110          1HB       CYS 110  -1.046  14.481  14.481
  855    HA   PRO 111           HA       PRO 111  -0.007  18.907  18.907
  856   1HB   PRO 111          2HB       PRO 111   1.666  19.023  19.023
  857   2HB   PRO 111          1HB       PRO 111   0.092  19.834  19.834
  858   1HG   PRO 111          2HG       PRO 111   0.873  17.366  17.366
  859   2HG   PRO 111          1HG       PRO 111  -0.397  18.544  18.544
  860   1HD   PRO 111          1HD       PRO 111  -0.786  16.010  16.010
  861   2HD   PRO 111          2HD       PRO 111  -1.974  17.329  17.329

  Start of MODEL   12
    1    HN   PCA   1           HN       PCA   1  -4.041   3.995   3.995
    2    HA   PCA   1           HA       PCA   1  -2.555   5.060   5.060
    3   1HB   PCA   1          1HB       PCA   1  -3.682   5.724   5.724
    4   2HB   PCA   1          2HB       PCA   1  -3.943   4.023   4.023
    5   1HG   PCA   1          1HG       PCA   1  -5.852   5.901   5.901
    6   2HG   PCA   1          2HG       PCA   1  -6.104   4.184   4.184
    7    H    ASN   2           H        ASN   2  -4.312   2.028   2.028
    8    HA   ASN   2           HA       ASN   2  -1.795   0.592   0.592
    9   1HB   ASN   2          2HB       ASN   2  -3.267   0.410   0.410
   10   2HB   ASN   2          1HB       ASN   2  -4.609  -0.080  -0.080
   11   1HD2  ASN   2          2HD2      ASN   2  -1.557  -2.828  -2.828
   12   2HD2  ASN   2          1HD2      ASN   2  -1.164  -1.182  -1.182
   13    H    TRP   3           H        TRP   3  -1.599  -1.492  -1.492
   14    HA   TRP   3           HA       TRP   3  -2.387  -1.483  -1.483
   15   1HB   TRP   3          2HB       TRP   3  -0.532  -2.866  -2.866
   16   2HB   TRP   3          1HB       TRP   3  -1.547  -4.104  -4.104
   17    HD1  TRP   3           HD1      TRP   3   1.564  -2.670  -2.670
   18    HE1  TRP   3           HE1      TRP   3   2.344  -2.752  -2.752
   19    HE3  TRP   3           HE3      TRP   3  -2.932  -3.355  -3.355
   20    HZ2  TRP   3           HZ2      TRP   3   1.246  -3.075  -3.075
   21    HZ3  TRP   3           HZ3      TRP   3  -3.013  -3.570  -3.570
   22    HH2  TRP   3           HH2      TRP   3  -0.926  -3.436  -3.436
   23    H    ALA   4           H        ALA   4  -3.722  -3.038  -3.038
   24    HA   ALA   4           HA       ALA   4  -5.365  -5.001  -5.001
   25   1HB   ALA   4          1HB       ALA   4  -5.488  -3.871  -3.871
   26   2HB   ALA   4          3HB       ALA   4  -6.492  -5.202  -5.202
   27   3HB   ALA   4          2HB       ALA   4  -4.740  -5.386  -5.386
   28    H    THR   5           H        THR   5  -6.320  -2.079  -2.079
   29    HA   THR   5           HA       THR   5  -9.018  -2.015  -2.015
   30    HB   THR   5           HB       THR   5  -7.472   0.467   0.467
   31    HG1  THR   5           HG1      THR   5  -8.499  -1.517  -1.517
   32   1HG2  THR   5          3HG2      THR   5 -10.307  -0.525  -0.525
   33   2HG2  THR   5          2HG2      THR   5  -9.691   0.900   0.900
   34   3HG2  THR   5          1HG2      THR   5  -9.748   0.870   0.870
   35    H    PHE   6           H        PHE   6  -5.968  -0.869  -0.869
   36    HA   PHE   6           HA       PHE   6  -7.151   0.714   0.714
   37   1HB   PHE   6          2HB       PHE   6  -4.922   1.221   1.221
   38   2HB   PHE   6          1HB       PHE   6  -4.352  -0.302  -0.302
   39    HD1  PHE   6           HD2      PHE   6  -4.486  -0.677  -0.677
   40    HD2  PHE   6           HD1      PHE   6  -5.123   3.210   3.210
   41    HE1  PHE   6           HE2      PHE   6  -4.106   0.377   0.377
   42    HE2  PHE   6           HE1      PHE   6  -4.743   4.271   4.271
   43    HZ   PHE   6           HZ       PHE   6  -4.237   2.841   2.841
   44    H    GLN   7           H        GLN   7  -6.273  -2.624  -2.624
   45    HA   GLN   7           HA       GLN   7  -5.964  -3.466  -3.466
   46   1HB   GLN   7          2HB       GLN   7  -6.828  -4.879  -4.879
   47   2HB   GLN   7          1HB       GLN   7  -7.111  -5.664  -5.664
   48   1HG   GLN   7          2HG       GLN   7  -4.428  -4.571  -4.571
   49   2HG   GLN   7          1HG       GLN   7  -4.707  -5.631  -5.631
   50   1HE2  GLN   7          2HE2      GLN   7  -5.011  -7.262  -7.262
   51   2HE2  GLN   7          1HE2      GLN   7  -5.378  -5.619  -5.619
   52    H    GLN   8           H        GLN   8  -8.750  -2.791  -2.791
   53    HA   GLN   8           HA       GLN   8 -10.702  -3.580  -3.580
   54   1HB   GLN   8          2HB       GLN   8 -10.791  -2.344  -2.344
   55   2HB   GLN   8          1HB       GLN   8 -12.131  -1.968  -1.968
   56   1HG   GLN   8          2HG       GLN   8 -12.701  -3.958  -3.958
   57   2HG   GLN   8          1HG       GLN   8 -12.430  -4.422  -4.422
   58   1HE2  GLN   8          2HE2      GLN   8  -9.328  -5.276  -5.276
   59   2HE2  GLN   8          1HE2      GLN   8 -10.114  -3.777  -3.777
   60    H    LYS   9           H        LYS   9  -9.064  -0.645  -0.645
   61    HA   LYS   9           HA       LYS   9 -10.451   1.406   1.406
   62   1HB   LYS   9          2HB       LYS   9  -8.474   1.799   1.799
   63   2HB   LYS   9          1HB       LYS   9  -7.418   1.182   1.182
   64   1HG   LYS   9          2HG       LYS   9  -7.321   3.488   3.488
   65   2HG   LYS   9          1HG       LYS   9  -8.563   2.995   2.995
   66   1HD   LYS   9          2HD       LYS   9 -10.116   3.384   3.384
   67   2HD   LYS   9          1HD       LYS   9  -8.834   4.548   4.548
   68   1HE   LYS   9          2HE       LYS   9  -9.157   5.314   5.314
   69   2HE   LYS   9          1HE       LYS   9 -10.684   4.436   4.436
   70   1HZ   LYS   9          2HZ       LYS   9 -10.980   5.773   5.773
   71   2HZ   LYS   9          1HZ       LYS   9  -9.841   6.823   6.823
   72   3HZ   LYS   9          3HZ       LYS   9 -11.305   6.518   6.518
   73    H    HIS  10           H        HIS  10  -7.730  -0.332  -0.332
   74    HA   HIS  10           HA       HIS  10  -8.954   0.503   0.503
   75   1HB   HIS  10          2HB       HIS  10  -6.175   0.261   0.261
   76   2HB   HIS  10          1HB       HIS  10  -6.477  -0.662  -0.662
   77    HD1  HIS  10           HD1      HIS  10  -5.567   0.859   0.859
   78    HD2  HIS  10           HD2      HIS  10  -8.129   2.858   2.858
   79    HE1  HIS  10           HE1      HIS  10  -5.984   3.139   3.139
   80    H    ILE  11           H        ILE  11  -8.986  -2.236  -2.236
   81    HA   ILE  11           HA       ILE  11  -9.479  -3.847  -3.847
   82    HB   ILE  11           HB       ILE  11  -7.837  -4.922  -4.922
   83   1HG1  ILE  11          2HG1      ILE  11  -6.122  -4.845  -4.845
   84   2HG1  ILE  11          1HG1      ILE  11  -7.109  -3.465  -3.465
   85   1HG2  ILE  11          1HG2      ILE  11  -8.427  -5.954  -5.954
   86   2HG2  ILE  11          3HG2      ILE  11  -7.363  -6.726  -6.726
   87   3HG2  ILE  11          2HG2      ILE  11  -9.088  -6.604  -6.604
   88   1HD1  ILE  11          1HD1      ILE  11  -6.804  -2.739  -2.739
   89   2HD1  ILE  11          3HD1      ILE  11  -5.447  -3.863  -3.863
   90   3HD1  ILE  11          2HD1      ILE  11  -5.470  -2.490  -2.490
   91    H    ILE  12           H        ILE  12 -11.759  -3.429  -3.429
   92    HA   ILE  12           HA       ILE  12 -12.666  -5.423  -5.423
   93    HB   ILE  12           HB       ILE  12 -14.376  -3.448  -3.448
   94   1HG1  ILE  12          2HG1      ILE  12 -13.078  -3.182  -3.182
   95   2HG1  ILE  12          1HG1      ILE  12 -12.782  -2.168  -2.168
   96   1HG2  ILE  12          3HG2      ILE  12 -14.926  -5.644  -5.644
   97   2HG2  ILE  12          2HG2      ILE  12 -15.470  -4.143  -4.143
   98   3HG2  ILE  12          1HG2      ILE  12 -16.065  -4.600  -4.600
   99   1HD1  ILE  12          1HD1      ILE  12 -15.474  -1.878  -1.878
  100   2HD1  ILE  12          3HD1      ILE  12 -15.037  -2.117  -2.117
  101   3HD1  ILE  12          2HD1      ILE  12 -14.311  -0.801  -0.801
  102    H    ASN  13           H        ASN  13 -11.564  -6.813  -6.813
  103    HA   ASN  13           HA       ASN  13 -12.755  -7.112  -7.112
  104   1HB   ASN  13          2HB       ASN  13 -10.319  -7.642  -7.642
  105   2HB   ASN  13          1HB       ASN  13 -11.006  -9.231  -9.231
  106   1HD2  ASN  13          2HD2      ASN  13 -10.298  -8.146  -8.146
  107   2HD2  ASN  13          1HD2      ASN  13  -9.934  -7.107  -7.107
  108    H    THR  14           H        THR  14 -14.996  -7.457  -7.457
  109    HA   THR  14           HA       THR  14 -15.510 -10.303 -10.303
  110    HB   THR  14           HB       THR  14 -17.945  -9.249  -9.249
  111    HG1  THR  14           HG1      THR  14 -16.235  -7.062  -7.062
  112   1HG2  THR  14          1HG2      THR  14 -16.405 -10.294 -10.294
  113   2HG2  THR  14          3HG2      THR  14 -15.808  -8.665  -8.665
  114   3HG2  THR  14          2HG2      THR  14 -17.504  -9.052  -9.052
  115    HA   PRO  15           HA       PRO  15 -16.629 -10.553 -10.553
  116   1HB   PRO  15          2HB       PRO  15 -17.917 -12.991 -12.991
  117   2HB   PRO  15          1HB       PRO  15 -16.156 -12.796 -12.796
  118   1HG   PRO  15          2HG       PRO  15 -17.920 -13.529 -13.529
  119   2HG   PRO  15          1HG       PRO  15 -16.250 -14.018 -14.018
  120   1HD   PRO  15          2HD       PRO  15 -16.960 -12.076 -12.076
  121   2HD   PRO  15          1HD       PRO  15 -15.361 -12.197 -12.197
  122    H    ILE  16           H        ILE  16 -18.936 -10.838 -10.838
  123    HA   ILE  16           HA       ILE  16 -21.344 -10.619 -10.619
  124    HB   ILE  16           HB       ILE  16 -22.408  -9.997  -9.997
  125   1HG1  ILE  16          2HG1      ILE  16 -19.926 -10.701 -10.701
  126   2HG1  ILE  16          1HG1      ILE  16 -19.916  -9.118  -9.118
  127   1HG2  ILE  16          2HG2      ILE  16 -20.796 -12.457 -12.457
  128   2HG2  ILE  16          1HG2      ILE  16 -21.456 -12.236 -12.236
  129   3HG2  ILE  16          3HG2      ILE  16 -22.536 -12.282 -12.282
  130   1HD1  ILE  16          2HD1      ILE  16 -22.101 -10.116 -10.116
  131   2HD1  ILE  16          1HD1      ILE  16 -20.797  -9.027  -9.027
  132   3HD1  ILE  16          3HD1      ILE  16 -21.989  -8.507  -8.507
  133    H    ILE  17           H        ILE  17 -22.566  -8.692  -8.692
  134    HA   ILE  17           HA       ILE  17 -20.994  -6.159  -6.159
  135    HB   ILE  17           HB       ILE  17 -22.484  -5.328  -5.328
  136   1HG1  ILE  17          2HG1      ILE  17 -22.914  -8.304  -8.304
  137   2HG1  ILE  17          1HG1      ILE  17 -24.147  -7.214  -7.214
  138   1HG2  ILE  17          3HG2      ILE  17 -20.273  -7.318  -7.318
  139   2HG2  ILE  17          2HG2      ILE  17 -21.124  -6.990  -6.990
  140   3HG2  ILE  17          1HG2      ILE  17 -20.343  -5.674  -5.674
  141   1HD1  ILE  17          3HD1      ILE  17 -22.746  -6.811  -6.811
  142   2HD1  ILE  17          2HD1      ILE  17 -24.320  -7.589  -7.589
  143   3HD1  ILE  17          1HD1      ILE  17 -24.118  -5.895  -5.895
  144    H    ASN  18           H        ASN  18 -21.823  -5.839  -5.839
  145    HA   ASN  18           HA       ASN  18 -24.536  -4.594  -4.594
  146   1HB   ASN  18          2HB       ASN  18 -23.629  -6.770  -6.770
  147   2HB   ASN  18          1HB       ASN  18 -25.096  -5.809  -5.809
  148   1HD2  ASN  18          2HD2      ASN  18 -26.659  -7.369  -7.369
  149   2HD2  ASN  18          1HD2      ASN  18 -26.457  -5.828  -5.828
  150    H    CYS  19           H        CYS  19 -23.824  -2.558  -2.558
  151    HA   CYS  19           HA       CYS  19 -21.582  -2.077  -2.077
  152   1HB   CYS  19          2HB       CYS  19 -23.631  -0.013  -0.013
  153   2HB   CYS  19          1HB       CYS  19 -21.965   0.249   0.249
  154    H    ASN  20           H        ASN  20 -24.847  -2.878  -2.878
  155    HA   ASN  20           HA       ASN  20 -25.308  -1.199  -1.199
  156   1HB   ASN  20          2HB       ASN  20 -27.041  -3.002  -3.002
  157   2HB   ASN  20          1HB       ASN  20 -27.270  -2.153  -2.153
  158   1HD2  ASN  20          2HD2      ASN  20 -26.916  -5.066  -5.066
  159   2HD2  ASN  20          1HD2      ASN  20 -27.213  -3.396  -3.396
  160    H    THR  21           H        THR  21 -24.152  -4.558  -4.558
  161    HA   THR  21           HA       THR  21 -23.573  -4.793  -4.793
  162    HB   THR  21           HB       THR  21 -22.656  -6.737  -6.737
  163    HG1  THR  21           HG1      THR  21 -24.724  -6.800  -6.800
  164   1HG2  THR  21          2HG2      THR  21 -21.872  -7.002  -7.002
  165   2HG2  THR  21          1HG2      THR  21 -23.554  -7.082  -7.082
  166   3HG2  THR  21          3HG2      THR  21 -22.895  -8.339  -8.339
  167    H    ILE  22           H        ILE  22 -21.900  -3.695  -3.695
  168    HA   ILE  22           HA       ILE  22 -19.227  -4.084  -4.084
  169    HB   ILE  22           HB       ILE  22 -20.004  -2.602  -2.602
  170   1HG1  ILE  22          2HG1      ILE  22 -18.897  -5.405  -5.405
  171   2HG1  ILE  22          1HG1      ILE  22 -20.634  -5.105  -5.105
  172   1HG2  ILE  22          2HG2      ILE  22 -17.404  -3.581  -3.581
  173   2HG2  ILE  22          1HG2      ILE  22 -17.572  -3.259  -3.259
  174   3HG2  ILE  22          3HG2      ILE  22 -17.805  -1.958  -1.958
  175   1HD1  ILE  22          2HD1      ILE  22 -20.390  -3.842  -3.842
  176   2HD1  ILE  22          1HD1      ILE  22 -18.687  -4.303  -4.303
  177   3HD1  ILE  22          3HD1      ILE  22 -19.939  -5.542  -5.542
  178    H    MET  23           H        MET  23 -21.685  -1.775  -1.775
  179    HA   MET  23           HA       MET  23 -19.694   0.366   0.366
  180   1HB   MET  23          2HB       MET  23 -21.544   1.967   1.967
  181   2HB   MET  23          1HB       MET  23 -21.471   0.997   0.997
  182   1HG   MET  23          2HG       MET  23 -23.221  -0.527  -0.527
  183   2HG   MET  23          1HG       MET  23 -23.437   0.772   0.772
  184   1HE   MET  23          2HE       MET  23 -24.755   2.341   2.341
  185   2HE   MET  23          1HE       MET  23 -24.109   3.565   3.565
  186   3HE   MET  23          3HE       MET  23 -25.778   3.004   3.004
  187    H    ASP  24           H        ASP  24 -22.585  -1.328  -1.328
  188    HA   ASP  24           HA       ASP  24 -22.634  -0.141  -0.141
  189   1HB   ASP  24          2HB       ASP  24 -23.854  -2.490  -2.490
  190   2HB   ASP  24          1HB       ASP  24 -23.732  -2.600  -2.600
  191    H    ASN  25           H        ASN  25 -20.585  -0.150  -0.150
  192    HA   ASN  25           HA       ASN  25 -19.601  -2.589  -2.589
  193   1HB   ASN  25          2HB       ASN  25 -18.767  -2.813  -2.813
  194   2HB   ASN  25          1HB       ASN  25 -17.887  -1.315  -1.315
  195   1HD2  ASN  25          2HD2      ASN  25 -15.167  -3.291  -3.291
  196   2HD2  ASN  25          1HD2      ASN  25 -15.753  -2.211  -2.211
  197    H    ASN  26           H        ASN  26 -17.774  -2.110  -2.110
  198    HA   ASN  26           HA       ASN  26 -17.910   0.551   0.551
  199   1HB   ASN  26          2HB       ASN  26 -16.021  -1.780  -1.780
  200   2HB   ASN  26          1HB       ASN  26 -16.000  -0.294  -0.294
  201   1HD2  ASN  26          1HD2      ASN  26 -17.652  -3.324  -3.324
  202   2HD2  ASN  26          2HD2      ASN  26 -18.846  -3.091  -3.091
  203    H    ILE  27           H        ILE  27 -16.168  -0.669  -0.669
  204    HA   ILE  27           HA       ILE  27 -13.916   1.222   1.222
  205    HB   ILE  27           HB       ILE  27 -14.537  -0.641  -0.641
  206   1HG1  ILE  27          2HG1      ILE  27 -12.678  -1.047  -1.047
  207   2HG1  ILE  27          1HG1      ILE  27 -14.259  -1.811  -1.811
  208   1HG2  ILE  27          3HG2      ILE  27 -12.339   1.239   1.239
  209   2HG2  ILE  27          2HG2      ILE  27 -11.848  -0.329  -0.329
  210   3HG2  ILE  27          1HG2      ILE  27 -12.914   0.715   0.715
  211   1HD1  ILE  27          3HD1      ILE  27 -13.378  -2.644  -2.644
  212   2HD1  ILE  27          2HD1      ILE  27 -11.782  -2.244  -2.244
  213   3HD1  ILE  27          1HD1      ILE  27 -12.783  -3.441  -3.441
  214    H    TYR  28           H        TYR  28 -16.964   1.849   1.849
  215    HA   TYR  28           HA       TYR  28 -16.288   4.038   4.038
  216   1HB   TYR  28          2HB       TYR  28 -18.334   1.906   1.906
  217   2HB   TYR  28          1HB       TYR  28 -18.228   3.452   3.452
  218    HD1  TYR  28           HD2      TYR  28 -15.637   4.058   4.058
  219    HD2  TYR  28           HD1      TYR  28 -17.315   0.120   0.120
  220    HE1  TYR  28           HE2      TYR  28 -13.879   3.155   3.155
  221    HE2  TYR  28           HE1      TYR  28 -15.558  -0.779  -0.779
  222    HH   TYR  28           HH       TYR  28 -13.737   1.016   1.016
  223    H    ILE  29           H        ILE  29 -16.866   4.912   4.912
  224    HA   ILE  29           HA       ILE  29 -19.722   5.757   5.757
  225    HB   ILE  29           HB       ILE  29 -18.519   4.633   4.633
  226   1HG1  ILE  29          2HG1      ILE  29 -20.546   3.400   3.400
  227   2HG1  ILE  29          1HG1      ILE  29 -18.881   2.856   2.856
  228   1HG2  ILE  29          3HG2      ILE  29 -21.117   5.896   5.896
  229   2HG2  ILE  29          2HG2      ILE  29 -21.141   4.654   4.654
  230   3HG2  ILE  29          1HG2      ILE  29 -20.184   6.116   6.116
  231   1HD1  ILE  29          2HD1      ILE  29 -19.826   2.898   2.898
  232   2HD1  ILE  29          1HD1      ILE  29 -21.218   2.330   2.330
  233   3HD1  ILE  29          3HD1      ILE  29 -19.684   1.466   1.466
  234    H    VAL  30           H        VAL  30 -19.995   7.827   7.827
  235    HA   VAL  30           HA       VAL  30 -17.655   9.243   9.243
  236    HB   VAL  30           HB       VAL  30 -18.480   9.825   9.825
  237   1HG1  VAL  30          1HG1      VAL  30 -20.910   9.961   9.961
  238   2HG1  VAL  30          3HG1      VAL  30 -20.490  11.522  11.522
  239   3HG1  VAL  30          2HG1      VAL  30 -20.324  11.263  11.263
  240   1HG2  VAL  30          3HG2      VAL  30 -17.256  11.311  11.311
  241   2HG2  VAL  30          2HG2      VAL  30 -17.245  11.668  11.668
  242   3HG2  VAL  30          1HG2      VAL  30 -18.467  12.398  12.398
  243    H    GLY  31           H        GLY  31 -19.165  11.574  11.574
  244   1HA   GLY  31          2HA       GLY  31 -20.564  10.333  10.333
  245   2HA   GLY  31          1HA       GLY  31 -19.983  11.990  11.990
  246    H    GLY  32           H        GLY  32 -22.395   9.877   9.877
  247   1HA   GLY  32          2HA       GLY  32 -24.560  11.701  11.701
  248   2HA   GLY  32          1HA       GLY  32 -24.108  11.779  11.779
  249    H    GLN  33           H        GLN  33 -23.809   9.485   9.485
  250    HA   GLN  33           HA       GLN  33 -25.394   7.282   7.282
  251   1HB   GLN  33          2HB       GLN  33 -27.205   8.805   8.805
  252   2HB   GLN  33          1HB       GLN  33 -26.486   8.808   8.808
  253   1HG   GLN  33          2HG       GLN  33 -28.174   7.156   7.156
  254   2HG   GLN  33          1HG       GLN  33 -26.689   6.235   6.235
  255   1HE2  GLN  33          2HE2      GLN  33 -27.854   4.788   4.788
  256   2HE2  GLN  33          1HE2      GLN  33 -26.779   4.726   4.726
  257    H    CYS  34           H        CYS  34 -24.675   8.598   8.598
  258    HA   CYS  34           HA       CYS  34 -22.589   6.584   6.584
  259   1HB   CYS  34          2HB       CYS  34 -23.672   5.607   5.607
  260   2HB   CYS  34          1HB       CYS  34 -24.693   5.368   5.368
  261    H    LYS  35           H        LYS  35 -21.181   7.250   7.250
  262    HA   LYS  35           HA       LYS  35 -21.151  10.053  10.053
  263   1HB   LYS  35          2HB       LYS  35 -19.464   7.691   7.691
  264   2HB   LYS  35          1HB       LYS  35 -19.430   8.884   8.884
  265   1HG   LYS  35          2HG       LYS  35 -19.241  10.521  10.521
  266   2HG   LYS  35          1HG       LYS  35 -18.417   9.088   9.088
  267   1HD   LYS  35          2HD       LYS  35 -17.136   9.120   9.120
  268   2HD   LYS  35          1HD       LYS  35 -17.708  10.785  10.785
  269   1HE   LYS  35          2HE       LYS  35 -16.569  11.448  11.448
  270   2HE   LYS  35          1HE       LYS  35 -16.324   9.782   9.782
  271   1HZ   LYS  35          1HZ       LYS  35 -15.107   9.859   9.859
  272   2HZ   LYS  35          3HZ       LYS  35 -14.759  11.395  11.395
  273   3HZ   LYS  35          2HZ       LYS  35 -14.324  10.000  10.000
  274    H    ARG  36           H        ARG  36 -20.751  10.613  10.613
  275    HA   ARG  36           HA       ARG  36 -23.157   9.599   9.599
  276   1HB   ARG  36          2HB       ARG  36 -23.056  11.750  11.750
  277   2HB   ARG  36          1HB       ARG  36 -23.210  12.000  12.000
  278   1HG   ARG  36          2HG       ARG  36 -20.410  11.816  11.816
  279   2HG   ARG  36          1HG       ARG  36 -21.268  13.136  13.136
  280   1HD   ARG  36          2HD       ARG  36 -21.564  12.743  12.743
  281   2HD   ARG  36          1HD       ARG  36 -20.138  13.562  13.562
  282    HE   ARG  36           HE       ARG  36 -22.756  14.568  14.568
  283   1HH1  ARG  36          1HH2      ARG  36 -21.353  16.709  16.709
  284   2HH1  ARG  36          2HH2      ARG  36 -21.028  17.562  17.562
  285   1HH2  ARG  36          2HH1      ARG  36 -21.771  14.861  14.861
  286   2HH2  ARG  36          1HH1      ARG  36 -21.262  16.516  16.516
  287    H    VAL  37           H        VAL  37 -20.133   8.675   8.675
  288    HA   VAL  37           HA       VAL  37 -20.033   7.954   7.954
  289    HB   VAL  37           HB       VAL  37 -19.105  10.304  10.304
  290   1HG1  VAL  37          3HG1      VAL  37 -18.001  10.018  10.018
  291   2HG1  VAL  37          2HG1      VAL  37 -16.709   9.182   9.182
  292   3HG1  VAL  37          1HG1      VAL  37 -17.076  10.864  10.864
  293   1HG2  VAL  37          2HG2      VAL  37 -17.679   7.846   7.846
  294   2HG2  VAL  37          1HG2      VAL  37 -18.253   9.213   9.213
  295   3HG2  VAL  37          3HG2      VAL  37 -16.740   9.338   9.338
  296    H    ASN  38           H        ASN  38 -19.354   5.960   5.960
  297    HA   ASN  38           HA       ASN  38 -17.265   5.107   5.107
  298   1HB   ASN  38          2HB       ASN  38 -19.565   3.413   3.413
  299   2HB   ASN  38          1HB       ASN  38 -18.322   2.884   2.884
  300   1HD2  ASN  38          2HD2      ASN  38 -21.501   4.161   4.161
  301   2HD2  ASN  38          1HD2      ASN  38 -21.336   3.174   3.174
  302    H    THR  39           H        THR  39 -15.643   5.514   5.514
  303    HA   THR  39           HA       THR  39 -15.767   4.335   4.335
  304    HB   THR  39           HB       THR  39 -13.377   5.600   5.600
  305    HG1  THR  39           HG1      THR  39 -14.293   7.460   7.460
  306   1HG2  THR  39          2HG2      THR  39 -12.991   4.357   4.357
  307   2HG2  THR  39          1HG2      THR  39 -14.182   5.392   5.392
  308   3HG2  THR  39          3HG2      THR  39 -12.687   6.088   6.088
  309    H    PHE  40           H        PHE  40 -15.557   2.171   2.171
  310    HA   PHE  40           HA       PHE  40 -13.526   0.774   0.774
  311   1HB   PHE  40          2HB       PHE  40 -15.550  -0.454  -0.454
  312   2HB   PHE  40          1HB       PHE  40 -14.672  -1.260  -1.260
  313    HD1  PHE  40           HD1      PHE  40 -14.954   0.567   0.567
  314    HD2  PHE  40           HD2      PHE  40 -17.814  -0.543  -0.543
  315    HE1  PHE  40           HE1      PHE  40 -16.804   1.062   1.062
  316    HE2  PHE  40           HE2      PHE  40 -19.661  -0.051  -0.051
  317    HZ   PHE  40           HZ       PHE  40 -19.157   0.754   0.754
  318    H    ILE  41           H        ILE  41 -12.017  -0.742  -0.742
  319    HA   ILE  41           HA       ILE  41 -11.643   0.082   0.082
  320    HB   ILE  41           HB       ILE  41  -9.528  -0.125  -0.125
  321   1HG1  ILE  41          2HG1      ILE  41  -9.099   2.248   2.248
  322   2HG1  ILE  41          1HG1      ILE  41 -10.712   2.089   2.089
  323   1HG2  ILE  41          1HG2      ILE  41  -9.275   0.092   0.092
  324   2HG2  ILE  41          3HG2      ILE  41  -7.980   0.575   0.575
  325   3HG2  ILE  41          2HG2      ILE  41  -8.525  -1.102  -1.102
  326   1HD1  ILE  41          2HD1      ILE  41 -10.762   1.256   1.256
  327   2HD1  ILE  41          1HD1      ILE  41 -10.057   2.868   2.868
  328   3HD1  ILE  41          3HD1      ILE  41 -11.663   2.554   2.554
  329    H    ILE  42           H        ILE  42 -11.468  -1.613  -1.613
  330    HA   ILE  42           HA       ILE  42 -11.215  -4.339  -4.339
  331    HB   ILE  42           HB       ILE  42 -13.239  -4.038  -4.038
  332   1HG1  ILE  42          2HG1      ILE  42 -11.380  -5.617  -5.617
  333   2HG1  ILE  42          1HG1      ILE  42 -11.821  -6.187  -6.187
  334   1HG2  ILE  42          2HG2      ILE  42 -12.457  -2.178  -2.178
  335   2HG2  ILE  42          1HG2      ILE  42 -11.452  -3.313  -3.313
  336   3HG2  ILE  42          3HG2      ILE  42 -13.201  -3.474  -3.474
  337   1HD1  ILE  42          3HD1      ILE  42 -14.258  -5.430  -5.430
  338   2HD1  ILE  42          2HD1      ILE  42 -13.387  -6.215  -6.215
  339   3HD1  ILE  42          1HD1      ILE  42 -13.663  -7.079  -7.079
  340    H    SER  43           H        SER  43  -9.137  -4.920  -4.920
  341    HA   SER  43           HA       SER  43  -7.583  -5.572  -5.572
  342   1HB   SER  43          2HB       SER  43  -7.379  -3.131  -3.131
  343   2HB   SER  43          1HB       SER  43  -6.797  -2.944  -2.944
  344    HG   SER  43           HG       SER  43  -5.251  -3.183  -3.183
  345    H    SER  44           H        SER  44  -5.508  -6.507  -6.507
  346    HA   SER  44           HA       SER  44  -5.489  -7.710  -7.710
  347   1HB   SER  44          2HB       SER  44  -3.028  -8.225  -8.225
  348   2HB   SER  44          1HB       SER  44  -4.266  -8.852  -8.852
  349    HG   SER  44           HG       SER  44  -3.380  -7.707  -7.707
  350    H    ALA  45           H        ALA  45  -4.779  -6.958  -6.958
  351    HA   ALA  45           HA       ALA  45  -4.227  -4.265  -4.265
  352   1HB   ALA  45          2HB       ALA  45  -4.890  -6.033  -6.033
  353   2HB   ALA  45          1HB       ALA  45  -3.222  -6.608  -6.608
  354   3HB   ALA  45          3HB       ALA  45  -3.584  -4.983  -4.983
  355    H    THR  46           H        THR  46  -1.995  -6.779  -6.779
  356    HA   THR  46           HA       THR  46   0.365  -5.238  -5.238
  357    HB   THR  46           HB       THR  46   0.456  -7.631  -7.631
  358    HG1  THR  46           HG1      THR  46   2.048  -6.745  -6.745
  359   1HG2  THR  46          2HG2      THR  46  -0.603  -7.418  -7.418
  360   2HG2  THR  46          1HG2      THR  46   0.650  -8.640  -8.640
  361   3HG2  THR  46          3HG2      THR  46  -0.814  -8.703  -8.703
  362    H    THR  47           H        THR  47  -1.475  -5.662  -5.662
  363    HA   THR  47           HA       THR  47   0.515  -4.531  -4.531
  364    HB   THR  47           HB       THR  47  -1.583  -3.824  -3.824
  365    HG1  THR  47           HG1      THR  47  -3.468  -4.812  -4.812
  366   1HG2  THR  47          2HG2      THR  47  -0.549  -6.540  -6.540
  367   2HG2  THR  47          1HG2      THR  47  -2.066  -6.460  -6.460
  368   3HG2  THR  47          3HG2      THR  47  -0.621  -5.675  -5.675
  369    H    VAL  48           H        VAL  48  -1.980  -3.231  -3.231
  370    HA   VAL  48           HA       VAL  48  -1.605  -0.445  -0.445
  371    HB   VAL  48           HB       VAL  48  -2.666  -1.577  -1.577
  372   1HG1  VAL  48          1HG1      VAL  48  -2.057   0.911   0.911
  373   2HG1  VAL  48          3HG1      VAL  48  -3.396   1.004   1.004
  374   3HG1  VAL  48          2HG1      VAL  48  -3.698   0.544   0.544
  375   1HG2  VAL  48          1HG2      VAL  48  -3.853  -1.366  -1.366
  376   2HG2  VAL  48          3HG2      VAL  48  -4.153  -2.560  -2.560
  377   3HG2  VAL  48          2HG2      VAL  48  -4.890  -0.963  -0.963
  378    H    LYS  49           H        LYS  49  -0.269  -2.701  -2.701
  379    HA   LYS  49           HA       LYS  49   1.257  -0.876  -0.876
  380   1HB   LYS  49          2HB       LYS  49   0.838  -3.192  -3.192
  381   2HB   LYS  49          1HB       LYS  49   1.776  -3.801  -3.801
  382   1HG   LYS  49          2HG       LYS  49   3.752  -2.494  -2.494
  383   2HG   LYS  49          1HG       LYS  49   2.787  -2.199  -2.199
  384   1HD   LYS  49          2HD       LYS  49   2.751  -4.470  -4.470
  385   2HD   LYS  49          1HD       LYS  49   3.145  -4.999  -4.999
  386   1HE   LYS  49          2HE       LYS  49   5.213  -5.265  -5.265
  387   2HE   LYS  49          1HE       LYS  49   5.358  -3.595  -3.595
  388   1HZ   LYS  49          2HZ       LYS  49   4.576  -2.868  -2.868
  389   2HZ   LYS  49          1HZ       LYS  49   4.521  -4.484  -4.484
  390   3HZ   LYS  49          3HZ       LYS  49   6.007  -3.777  -3.777
  391    H    ALA  50           H        ALA  50   1.733  -2.158  -2.158
  392    HA   ALA  50           HA       ALA  50   4.593  -1.553  -1.553
  393   1HB   ALA  50          2HB       ALA  50   2.613  -2.854  -2.854
  394   2HB   ALA  50          1HB       ALA  50   3.721  -1.818  -1.818
  395   3HB   ALA  50          3HB       ALA  50   4.351  -3.117  -3.117
  396    H    ILE  51           H        ILE  51   1.562   0.012   0.012
  397    HA   ILE  51           HA       ILE  51   2.795   2.104   2.104
  398    HB   ILE  51           HB       ILE  51   0.372   1.421   1.421
  399   1HG1  ILE  51          2HG1      ILE  51   1.305   3.543   3.543
  400   2HG1  ILE  51          1HG1      ILE  51  -0.412   3.591   3.591
  401   1HG2  ILE  51          1HG2      ILE  51   0.445   2.284   2.284
  402   2HG2  ILE  51          3HG2      ILE  51  -0.771   3.184   3.184
  403   3HG2  ILE  51          2HG2      ILE  51  -0.818   1.424   1.424
  404   1HD1  ILE  51          2HD1      ILE  51   0.809   4.520   4.520
  405   2HD1  ILE  51          1HD1      ILE  51   1.747   5.247   5.247
  406   3HD1  ILE  51          3HD1      ILE  51   0.006   5.504   5.504
  407    H    CYS  52           H        CYS  52   2.265   1.716   1.716
  408    HA   CYS  52           HA       CYS  52   3.107   4.506   4.506
  409   1HB   CYS  52          2HB       CYS  52   1.246   2.872   2.872
  410   2HB   CYS  52          1HB       CYS  52   2.627   2.777   2.777
  411    H    THR  53           H        THR  53   4.928   2.282   2.282
  412    HA   THR  53           HA       THR  53   6.761   1.844   1.844
  413    HB   THR  53           HB       THR  53   7.198   1.118   1.118
  414    HG1  THR  53           HG1      THR  53   6.448  -0.961  -0.961
  415   1HG2  THR  53          1HG2      THR  53   8.466   0.357   0.357
  416   2HG2  THR  53          3HG2      THR  53   8.593  -0.692  -0.692
  417   3HG2  THR  53          2HG2      THR  53   9.245   0.946   0.946
  418    H    GLY  54           H        GLY  54   8.074   3.500   3.500
  419   1HA   GLY  54          2HA       GLY  54   9.793   4.752   4.752
  420   2HA   GLY  54          1HA       GLY  54   8.643   5.865   5.865
  421    H    VAL  55           H        VAL  55   8.598   5.569   5.569
  422    HA   VAL  55           HA       VAL  55  11.114   4.796   4.796
  423    HB   VAL  55           HB       VAL  55  11.443   7.102   7.102
  424   1HG1  VAL  55          3HG1      VAL  55   9.239   7.948   7.948
  425   2HG1  VAL  55          2HG1      VAL  55  10.279   8.247   8.247
  426   3HG1  VAL  55          1HG1      VAL  55  10.616   9.038   9.038
  427   1HG2  VAL  55          1HG2      VAL  55  12.564   5.918   5.918
  428   2HG2  VAL  55          3HG2      VAL  55  13.254   7.231   7.231
  429   3HG2  VAL  55          2HG2      VAL  55  12.281   7.595   7.595
  430    H    ILE  56           H        ILE  56  10.792   6.252   6.252
  431    HA   ILE  56           HA       ILE  56   8.349   4.935   4.935
  432    HB   ILE  56           HB       ILE  56   9.260   5.450   5.450
  433   1HG1  ILE  56          2HG1      ILE  56  11.546   6.769   6.769
  434   2HG1  ILE  56          1HG1      ILE  56  10.280   7.653   7.653
  435   1HG2  ILE  56          2HG2      ILE  56  10.055   3.477   3.477
  436   2HG2  ILE  56          1HG2      ILE  56  11.483   4.439   4.439
  437   3HG2  ILE  56          3HG2      ILE  56  11.147   3.988   3.988
  438   1HD1  ILE  56          2HD1      ILE  56  11.211   5.752   5.752
  439   2HD1  ILE  56          1HD1      ILE  56  12.660   6.377   6.377
  440   3HD1  ILE  56          3HD1      ILE  56  11.540   7.483   7.483
  441    H    ASN  57           H        ASN  57   8.195   7.458   7.458
  442    HA   ASN  57           HA       ASN  57   6.016   8.796   8.796
  443   1HB   ASN  57          2HB       ASN  57   8.044   9.493   9.493
  444   2HB   ASN  57          1HB       ASN  57   8.457  10.541  10.541
  445   1HD2  ASN  57          2HD2      ASN  57   6.259  12.942  12.942
  446   2HD2  ASN  57          1HD2      ASN  57   7.841  12.575  12.575
  447    H    MET  58           H        MET  58   5.085   9.430   9.430
  448    HA   MET  58           HA       MET  58   6.513  11.251  11.251
  449   1HB   MET  58          2HB       MET  58   6.436   8.345   8.345
  450   2HB   MET  58          1HB       MET  58   5.949   9.350   9.350
  451   1HG   MET  58          2HG       MET  58   8.284  10.487  10.487
  452   2HG   MET  58          1HG       MET  58   8.581   8.802   8.802
  453   1HE   MET  58          1HE       MET  58   7.685  12.168  12.168
  454   2HE   MET  58          3HE       MET  58   9.236  12.242  12.242
  455   3HE   MET  58          2HE       MET  58   7.729  12.409  12.409
  456    H    ASN  59           H        ASN  59   5.218  11.412  11.412
  457    HA   ASN  59           HA       ASN  59   2.270  11.155  11.155
  458   1HB   ASN  59          2HB       ASN  59   2.037  13.427  13.427
  459   2HB   ASN  59          1HB       ASN  59   2.782  13.489  13.489
  460   1HD2  ASN  59          2HD2      ASN  59   4.914  14.666  14.666
  461   2HD2  ASN  59          1HD2      ASN  59   3.316  14.115  14.115
  462    H    VAL  60           H        VAL  60   1.607   9.851   9.851
  463    HA   VAL  60           HA       VAL  60   2.935  10.232  10.232
  464    HB   VAL  60           HB       VAL  60   2.043   7.558   7.558
  465   1HG1  VAL  60          1HG1      VAL  60   3.523   8.484   8.484
  466   2HG1  VAL  60          3HG1      VAL  60   3.781   6.859   6.859
  467   3HG1  VAL  60          2HG1      VAL  60   2.170   7.358   7.358
  468   1HG2  VAL  60          2HG2      VAL  60   4.812   8.803   8.803
  469   2HG2  VAL  60          1HG2      VAL  60   3.871   8.417   8.417
  470   3HG2  VAL  60          3HG2      VAL  60   4.471   7.121   7.121
  471    H    LEU  61           H        LEU  61   1.564   9.278   9.278
  472    HA   LEU  61           HA       LEU  61  -1.347   9.643   9.643
  473   1HB   LEU  61          2HB       LEU  61   0.036  10.301  10.301
  474   2HB   LEU  61          1HB       LEU  61  -1.604  10.727  10.727
  475    HG   LEU  61           HG       LEU  61  -0.269  11.916  11.916
  476   1HD1  LEU  61          1HD1      LEU  61   1.947  11.195  11.195
  477   2HD1  LEU  61          3HD1      LEU  61   1.618  12.047  12.047
  478   3HD1  LEU  61          2HD1      LEU  61   1.789  12.949  12.949
  479   1HD2  LEU  61          1HD2      LEU  61  -0.666  13.012  13.012
  480   2HD2  LEU  61          3HD2      LEU  61  -1.850  13.036  13.036
  481   3HD2  LEU  61          2HD2      LEU  61  -0.382  14.005  14.005
  482    H    SER  62           H        SER  62  -2.262   7.614   7.614
  483    HA   SER  62           HA       SER  62  -1.220   5.353   5.353
  484   1HB   SER  62          2HB       SER  62  -4.168   5.852   5.852
  485   2HB   SER  62          1HB       SER  62  -3.312   4.314   4.314
  486    HG   SER  62           HG       SER  62  -3.381   6.318   6.318
  487    H    THR  63           H        THR  63  -0.574   6.008   6.008
  488    HA   THR  63           HA       THR  63  -2.473   7.245   7.245
  489    HB   THR  63           HB       THR  63  -0.532   6.701   6.701
  490    HG1  THR  63           HG1      THR  63   1.067   5.658   5.658
  491   1HG2  THR  63          1HG2      THR  63  -1.010   8.818   8.818
  492   2HG2  THR  63          3HG2      THR  63   0.707   8.452   8.452
  493   3HG2  THR  63          2HG2      THR  63   0.049   8.841   8.841
  494    H    THR  64           H        THR  64  -0.794   4.097   4.097
  495    HA   THR  64           HA       THR  64  -2.145   2.855   2.855
  496    HB   THR  64           HB       THR  64  -1.073   1.515   1.515
  497    HG1  THR  64           HG1      THR  64   0.422   2.871   2.871
  498   1HG2  THR  64          1HG2      THR  64  -1.694   0.515   0.515
  499   2HG2  THR  64          3HG2      THR  64  -0.746  -0.398  -0.398
  500   3HG2  THR  64          2HG2      THR  64  -2.432  -0.010  -0.010
  501    H    ARG  65           H        ARG  65  -4.314   2.837   2.837
  502    HA   ARG  65           HA       ARG  65  -6.247   3.244   3.244
  503   1HB   ARG  65          2HB       ARG  65  -7.802   1.972   1.972
  504   2HB   ARG  65          1HB       ARG  65  -6.698   2.934   2.934
  505   1HG   ARG  65          2HG       ARG  65  -5.232   0.766   0.766
  506   2HG   ARG  65          1HG       ARG  65  -6.739  -0.039  -0.039
  507   1HD   ARG  65          2HD       ARG  65  -7.847   0.839   0.839
  508   2HD   ARG  65          1HD       ARG  65  -6.429   1.806   1.806
  509    HE   ARG  65           HE       ARG  65  -5.269  -0.244  -0.244
  510   1HH1  ARG  65          1HH2      ARG  65  -5.976  -2.477  -2.477
  511   2HH1  ARG  65          2HH2      ARG  65  -7.277  -3.238  -3.238
  512   1HH2  ARG  65          2HH1      ARG  65  -8.061  -0.420  -0.420
  513   2HH2  ARG  65          1HH1      ARG  65  -8.457  -2.075  -2.075
  514    H    PHE  66           H        PHE  66  -6.350   2.410   2.410
  515    HA   PHE  66           HA       PHE  66  -5.905  -0.529  -0.529
  516   1HB   PHE  66          2HB       PHE  66  -6.047   1.849   1.849
  517   2HB   PHE  66          1HB       PHE  66  -6.174   0.201   0.201
  518    HD1  PHE  66           HD2      PHE  66  -4.264  -1.417  -1.417
  519    HD2  PHE  66           HD1      PHE  66  -3.926   2.750   2.750
  520    HE1  PHE  66           HE2      PHE  66  -1.809  -1.648  -1.648
  521    HE2  PHE  66           HE1      PHE  66  -1.470   2.497   2.497
  522    HZ   PHE  66           HZ       PHE  66  -0.411   0.303   0.303
  523    H    GLN  67           H        GLN  67  -8.206   0.125   0.125
  524    HA   GLN  67           HA       GLN  67 -10.612   0.345   0.345
  525   1HB   GLN  67          2HB       GLN  67  -9.679  -1.983  -1.983
  526   2HB   GLN  67          1HB       GLN  67 -10.177  -2.415  -2.415
  527   1HG   GLN  67          2HG       GLN  67 -12.415  -2.285  -2.285
  528   2HG   GLN  67          1HG       GLN  67 -12.187  -0.986  -0.986
  529   1HE2  GLN  67          2HE2      GLN  67 -12.569  -4.706  -4.706
  530   2HE2  GLN  67          1HE2      GLN  67 -13.031  -4.207  -4.207
  531    H    LEU  68           H        LEU  68 -11.719   1.618   1.618
  532    HA   LEU  68           HA       LEU  68 -11.844   0.649   0.649
  533   1HB   LEU  68          2HB       LEU  68 -12.929   2.942   2.942
  534   2HB   LEU  68          1HB       LEU  68 -11.218   2.909   2.909
  535    HG   LEU  68           HG       LEU  68 -11.596   3.732   3.732
  536   1HD1  LEU  68          2HD1      LEU  68 -14.507   3.079   3.079
  537   2HD1  LEU  68          1HD1      LEU  68 -14.004   4.181   4.181
  538   3HD1  LEU  68          3HD1      LEU  68 -13.480   2.499   2.499
  539   1HD2  LEU  68          3HD2      LEU  68 -11.969   5.290   5.290
  540   2HD2  LEU  68          2HD2      LEU  68 -12.560   5.853   5.853
  541   3HD2  LEU  68          1HD2      LEU  68 -13.684   5.174   5.174
  542    H    ASN  69           H        ASN  69 -13.806   0.671   0.671
  543    HA   ASN  69           HA       ASN  69 -16.305   0.312   0.312
  544   1HB   ASN  69          2HB       ASN  69 -15.217  -1.773  -1.773
  545   2HB   ASN  69          1HB       ASN  69 -15.934  -1.019  -1.019
  546   1HD2  ASN  69          2HD2      ASN  69 -18.314  -2.974  -2.974
  547   2HD2  ASN  69          1HD2      ASN  69 -16.628  -2.934  -2.934
  548    H    THR  70           H        THR  70 -17.064   2.454   2.454
  549    HA   THR  70           HA       THR  70 -16.990   3.447   3.447
  550    HB   THR  70           HB       THR  70 -17.813   5.028   5.028
  551    HG1  THR  70           HG1      THR  70 -15.826   4.816   4.816
  552   1HG2  THR  70          3HG2      THR  70 -18.243   5.870   5.870
  553   2HG2  THR  70          2HG2      THR  70 -16.493   5.903   5.903
  554   3HG2  THR  70          1HG2      THR  70 -17.248   6.925   6.925
  555    H    CYS  71           H        CYS  71 -18.696   3.419   3.419
  556    HA   CYS  71           HA       CYS  71 -21.444   3.282   3.282
  557   1HB   CYS  71          2HB       CYS  71 -20.613   2.495   2.495
  558   2HB   CYS  71          1HB       CYS  71 -22.174   2.204   2.204
  559    H    THR  72           H        THR  72 -22.113   5.423   5.423
  560    HA   THR  72           HA       THR  72 -21.266   7.134   7.134
  561    HB   THR  72           HB       THR  72 -22.293   8.175   8.175
  562    HG1  THR  72           HG1      THR  72 -19.644   7.449   7.449
  563   1HG2  THR  72          2HG2      THR  72 -20.526   9.270   9.270
  564   2HG2  THR  72          1HG2      THR  72 -20.785  10.082  10.082
  565   3HG2  THR  72          3HG2      THR  72 -22.140   9.823   9.823
  566    H    ARG  73           H        ARG  73 -22.736   8.279   8.279
  567    HA   ARG  73           HA       ARG  73 -25.492   7.456   7.456
  568   1HB   ARG  73          2HB       ARG  73 -24.033   8.499   8.499
  569   2HB   ARG  73          1HB       ARG  73 -24.405  10.049  10.049
  570   1HG   ARG  73          2HG       ARG  73 -26.897   8.987   8.987
  571   2HG   ARG  73          1HG       ARG  73 -26.162   8.225   8.225
  572   1HD   ARG  73          2HD       ARG  73 -25.803  10.249  10.249
  573   2HD   ARG  73          1HD       ARG  73 -25.737  11.160  11.160
  574    HE   ARG  73           HE       ARG  73 -28.287  10.628  10.628
  575   1HH1  ARG  73          2HH1      ARG  73 -28.446   9.252   9.252
  576   2HH1  ARG  73          1HH1      ARG  73 -28.868  10.535  10.535
  577   1HH2  ARG  73          1HH2      ARG  73 -27.959  13.051  13.051
  578   2HH2  ARG  73          2HH2      ARG  73 -28.590  12.687  12.687
  579    H    THR  74           H        THR  74 -26.992   8.029   8.029
  580    HA   THR  74           HA       THR  74 -26.599  10.550  10.550
  581    HB   THR  74           HB       THR  74 -28.194   9.513   9.513
  582    HG1  THR  74           HG1      THR  74 -28.631   7.248   7.248
  583   1HG2  THR  74          1HG2      THR  74 -25.638   9.093   9.093
  584   2HG2  THR  74          3HG2      THR  74 -26.060   7.489   7.489
  585   3HG2  THR  74          2HG2      THR  74 -26.631   8.014   8.014
  586    H    SER  75           H        SER  75 -29.772   9.884   9.884
  587    HA   SER  75           HA       SER  75 -30.832  11.021  11.021
  588   1HB   SER  75          2HB       SER  75 -30.152  12.962  12.962
  589   2HB   SER  75          1HB       SER  75 -31.322  12.392  12.392
  590    HG   SER  75           HG       SER  75 -32.701  13.488  13.488
  591    H    ILE  76           H        ILE  76 -33.334  11.281  11.281
  592    HA   ILE  76           HA       ILE  76 -35.397  10.253  10.253
  593    HB   ILE  76           HB       ILE  76 -34.096   9.084   9.084
  594   1HG1  ILE  76          2HG1      ILE  76 -33.597  11.500  11.500
  595   2HG1  ILE  76          1HG1      ILE  76 -34.791  11.146  11.146
  596   1HG2  ILE  76          3HG2      ILE  76 -36.361   8.295   8.295
  597   2HG2  ILE  76          2HG2      ILE  76 -36.932   9.963   9.963
  598   3HG2  ILE  76          1HG2      ILE  76 -36.377   9.215   9.215
  599   1HD1  ILE  76          1HD1      ILE  76 -36.597  11.810  11.810
  600   2HD1  ILE  76          3HD1      ILE  76 -35.362  12.243  12.243
  601   3HD1  ILE  76          2HD1      ILE  76 -35.478  13.130  13.130
  602    H    THR  77           H        THR  77 -36.389   8.198   8.198
  603    HA   THR  77           HA       THR  77 -36.481   6.022   6.022
  604    HB   THR  77           HB       THR  77 -34.007   5.671   5.671
  605    HG1  THR  77           HG1      THR  77 -36.757   5.237   5.237
  606   1HG2  THR  77          2HG2      THR  77 -35.752   3.824   3.824
  607   2HG2  THR  77          1HG2      THR  77 -35.218   3.279   3.279
  608   3HG2  THR  77          3HG2      THR  77 -34.030   3.707   3.707
  609    HA   PRO  78           HA       PRO  78 -33.069   7.157   7.157
  610   1HB   PRO  78          2HB       PRO  78 -34.698   7.703   7.703
  611   2HB   PRO  78          1HB       PRO  78 -34.165   8.922   8.922
  612   1HG   PRO  78          2HG       PRO  78 -36.839   7.639   7.639
  613   2HG   PRO  78          1HG       PRO  78 -36.416   9.222   9.222
  614   1HD   PRO  78          2HD       PRO  78 -37.049   6.915   6.915
  615   2HD   PRO  78          1HD       PRO  78 -36.294   8.391   8.391
  616    H    ARG  79           H        ARG  79 -32.165   5.589   5.589
  617    HA   ARG  79           HA       ARG  79 -33.706   3.129   3.129
  618   1HB   ARG  79          2HB       ARG  79 -30.838   3.819   3.819
  619   2HB   ARG  79          1HB       ARG  79 -31.228   2.438   2.438
  620   1HG   ARG  79          2HG       ARG  79 -32.702   1.614   1.614
  621   2HG   ARG  79          1HG       ARG  79 -31.929   2.847   2.847
  622   1HD   ARG  79          2HD       ARG  79 -29.697   1.820   1.820
  623   2HD   ARG  79          1HD       ARG  79 -30.675   0.439   0.439
  624    HE   ARG  79           HE       ARG  79 -31.495   0.731   0.731
  625   1HH1  ARG  79          1HH2      ARG  79 -29.544   1.982   1.982
  626   2HH1  ARG  79          2HH2      ARG  79 -28.213   0.886   0.886
  627   1HH2  ARG  79          2HH1      ARG  79 -29.288  -1.204  -1.204
  628   2HH2  ARG  79          1HH1      ARG  79 -28.065  -0.920  -0.920
  629    HA   PRO  80           HA       PRO  80 -32.217   6.420   6.420
  630   1HB   PRO  80          2HB       PRO  80 -30.528   7.398   7.398
  631   2HB   PRO  80          1HB       PRO  80 -32.275   7.693   7.693
  632   1HG   PRO  80          2HG       PRO  80 -30.696   5.847   5.847
  633   2HG   PRO  80          1HG       PRO  80 -32.213   6.696   6.696
  634   1HD   PRO  80          2HD       PRO  80 -32.008   3.987   3.987
  635   2HD   PRO  80          1HD       PRO  80 -33.489   4.959   4.959
  636    H    CYS  81           H        CYS  81 -29.892   7.332   7.332
  637    HA   CYS  81           HA       CYS  81 -27.671   7.047   7.047
  638   1HB   CYS  81          2HB       CYS  81 -27.859   5.500   5.500
  639   2HB   CYS  81          1HB       CYS  81 -27.258   4.356   4.356
  640    HA   PRO  82           HA       PRO  82 -29.337   3.984   3.984
  641   1HB   PRO  82          2HB       PRO  82 -30.093   5.808   5.808
  642   2HB   PRO  82          1HB       PRO  82 -31.191   5.180   5.180
  643   1HG   PRO  82          2HG       PRO  82 -29.896   7.861   7.861
  644   2HG   PRO  82          1HG       PRO  82 -31.413   7.393   7.393
  645   1HD   PRO  82          2HD       PRO  82 -28.952   7.862   7.862
  646   2HD   PRO  82          1HD       PRO  82 -30.378   7.069   7.069
  647    H    TYR  83           H        TYR  83 -27.600   3.186   3.186
  648    HA   TYR  83           HA       TYR  83 -25.618   5.128   5.128
  649   1HB   TYR  83          2HB       TYR  83 -25.221   2.501   2.501
  650   2HB   TYR  83          1HB       TYR  83 -24.076   2.984   2.984
  651    HD1  TYR  83           HD2      TYR  83 -25.966   4.868   4.868
  652    HD2  TYR  83           HD1      TYR  83 -22.176   3.872   3.872
  653    HE1  TYR  83           HE2      TYR  83 -24.851   6.441   6.441
  654    HE2  TYR  83           HE1      TYR  83 -21.055   5.448   5.448
  655    HH   TYR  83           HH       TYR  83 -22.290   6.534   6.534
  656    H    SER  84           H        SER  84 -24.975   4.951   4.951
  657    HA   SER  84           HA       SER  84 -26.207   2.780   2.780
  658   1HB   SER  84          2HB       SER  84 -25.894   4.402   4.402
  659   2HB   SER  84          1HB       SER  84 -26.969   5.027   5.027
  660    HG   SER  84           HG       SER  84 -25.283   6.493   6.493
  661    H    SER  85           H        SER  85 -24.758   1.412   1.412
  662    HA   SER  85           HA       SER  85 -21.874   1.911   1.911
  663   1HB   SER  85          2HB       SER  85 -21.608  -0.475  -0.475
  664   2HB   SER  85          1HB       SER  85 -22.797  -0.259  -0.259
  665    HG   SER  85           HG       SER  85 -23.356  -1.660  -1.660
  666    H    ARG  86           H        ARG  86 -20.365   2.057   2.057
  667    HA   ARG  86           HA       ARG  86 -21.002   1.571   1.571
  668   1HB   ARG  86          2HB       ARG  86 -21.650   4.026   4.026
  669   2HB   ARG  86          1HB       ARG  86 -19.905   4.292   4.292
  670   1HG   ARG  86          2HG       ARG  86 -19.636   3.848   3.848
  671   2HG   ARG  86          1HG       ARG  86 -21.122   2.900   2.900
  672   1HD   ARG  86          2HD       ARG  86 -22.485   4.883   4.883
  673   2HD   ARG  86          1HD       ARG  86 -21.078   5.884   5.884
  674    HE   ARG  86           HE       ARG  86 -20.533   4.718   4.718
  675   1HH1  ARG  86          1HH2      ARG  86 -23.184   4.756   4.756
  676   2HH1  ARG  86          2HH2      ARG  86 -23.506   6.402   6.402
  677   1HH2  ARG  86          2HH1      ARG  86 -20.864   7.686   7.686
  678   2HH2  ARG  86          1HH1      ARG  86 -22.197   8.057   8.057
  679    H    THR  87           H        THR  87 -19.193   0.672   0.672
  680    HA   THR  87           HA       THR  87 -16.584   1.027   1.027
  681    HB   THR  87           HB       THR  87 -17.232  -1.172  -1.172
  682    HG1  THR  87           HG1      THR  87 -18.775  -1.322  -1.322
  683   1HG2  THR  87          1HG2      THR  87 -14.860  -0.556  -0.556
  684   2HG2  THR  87          3HG2      THR  87 -15.431  -1.322  -1.322
  685   3HG2  THR  87          2HG2      THR  87 -15.362  -2.244  -2.244
  686    H    GLU  88           H        GLU  88 -14.679   1.413   1.413
  687    HA   GLU  88           HA       GLU  88 -14.570   1.551   1.551
  688   1HB   GLU  88          2HB       GLU  88 -14.557   3.988   3.988
  689   2HB   GLU  88          1HB       GLU  88 -16.100   3.467   3.467
  690   1HG   GLU  88          2HG       GLU  88 -15.461   4.187   4.187
  691   2HG   GLU  88          1HG       GLU  88 -13.815   4.529   4.529
  692    H    THR  89           H        THR  89 -12.663   3.452   3.452
  693    HA   THR  89           HA       THR  89 -10.245   2.285   2.285
  694    HB   THR  89           HB       THR  89 -10.756   5.116   5.116
  695    HG1  THR  89           HG1      THR  89 -10.920   4.190   4.190
  696   1HG2  THR  89          3HG2      THR  89  -8.378   3.934   3.934
  697   2HG2  THR  89          2HG2      THR  89  -8.213   3.996   3.996
  698   3HG2  THR  89          1HG2      THR  89  -8.545   5.469   5.469
  699    H    ASN  90           H        ASN  90  -8.831   2.779   2.779
  700    HA   ASN  90           HA       ASN  90  -9.924   4.682   4.682
  701   1HB   ASN  90          2HB       ASN  90  -9.706   2.299   2.299
  702   2HB   ASN  90          1HB       ASN  90  -7.970   2.444   2.444
  703   1HD2  ASN  90          2HD2      ASN  90  -9.436   4.993   4.993
  704   2HD2  ASN  90          1HD2      ASN  90 -10.212   4.906   4.906
  705    H    TYR  91           H        TYR  91  -8.998   6.512   6.512
  706    HA   TYR  91           HA       TYR  91  -6.016   6.723   6.723
  707   1HB   TYR  91          2HB       TYR  91  -7.692   7.560   7.560
  708   2HB   TYR  91          1HB       TYR  91  -7.717   8.992   8.992
  709    HD1  TYR  91           HD1      TYR  91  -5.220   9.580   9.580
  710    HD2  TYR  91           HD2      TYR  91  -6.100   7.558   7.558
  711    HE1  TYR  91           HE1      TYR  91  -3.015  10.265  10.265
  712    HE2  TYR  91           HE2      TYR  91  -3.896   8.247   8.247
  713    HH   TYR  91           HH       TYR  91  -2.223  10.436  10.436
  714    H    ILE  92           H        ILE  92  -5.612   7.083   7.083
  715    HA   ILE  92           HA       ILE  92  -7.066   9.400   9.400
  716    HB   ILE  92           HB       ILE  92  -6.999   8.103   8.103
  717   1HG1  ILE  92          2HG1      ILE  92  -6.814   5.651   5.651
  718   2HG1  ILE  92          1HG1      ILE  92  -5.332   6.409   6.409
  719   1HG2  ILE  92          1HG2      ILE  92  -9.013   8.424   8.424
  720   2HG2  ILE  92          3HG2      ILE  92  -8.642   6.861   6.861
  721   3HG2  ILE  92          2HG2      ILE  92  -9.061   6.958   6.958
  722   1HD1  ILE  92          1HD1      ILE  92  -6.852   6.357   6.357
  723   2HD1  ILE  92          3HD1      ILE  92  -7.357   4.870   4.870
  724   3HD1  ILE  92          2HD1      ILE  92  -5.655   5.138   5.138
  725    H    CYS  93           H        CYS  93  -5.975   9.828   9.828
  726    HA   CYS  93           HA       CYS  93  -3.013  10.052  10.052
  727   1HB   CYS  93          2HB       CYS  93  -4.475  12.186  12.186
  728   2HB   CYS  93          1HB       CYS  93  -4.687  11.873  11.873
  729    H    VAL  94           H        VAL  94  -1.888   8.809   8.809
  730    HA   VAL  94           HA       VAL  94  -3.143   8.084   8.084
  731    HB   VAL  94           HB       VAL  94  -2.734   6.240   6.240
  732   1HG1  VAL  94          3HG1      VAL  94  -0.483   7.138   7.138
  733   2HG1  VAL  94          2HG1      VAL  94   0.147   6.570   6.570
  734   3HG1  VAL  94          1HG1      VAL  94  -0.505   5.416   5.416
  735   1HG2  VAL  94          3HG2      VAL  94  -2.817   6.139   6.139
  736   2HG2  VAL  94          2HG2      VAL  94  -2.413   4.706   4.706
  737   3HG2  VAL  94          1HG2      VAL  94  -1.132   5.652   5.652
  738    H    LYS  95           H        LYS  95  -1.421   7.506   7.506
  739    HA   LYS  95           HA       LYS  95   0.978   9.204   9.204
  740   1HB   LYS  95          2HB       LYS  95  -1.074   9.234   9.234
  741   2HB   LYS  95          1HB       LYS  95   0.599   9.668   9.668
  742   1HG   LYS  95          2HG       LYS  95   0.324  11.164  11.164
  743   2HG   LYS  95          1HG       LYS  95  -1.384  11.070  11.070
  744   1HD   LYS  95          2HD       LYS  95  -0.763  11.812  11.812
  745   2HD   LYS  95          1HD       LYS  95   0.876  12.093  12.093
  746   1HE   LYS  95          2HE       LYS  95  -0.723  13.385  13.385
  747   2HE   LYS  95          1HE       LYS  95  -1.525  13.725  13.725
  748   1HZ   LYS  95          3HZ       LYS  95   1.389  14.068  14.068
  749   2HZ   LYS  95          2HZ       LYS  95   0.271  15.317  15.317
  750   3HZ   LYS  95          1HZ       LYS  95   0.437  14.648  14.648
  751    H    CYS  96           H        CYS  96   2.883   8.255   8.255
  752    HA   CYS  96           HA       CYS  96   2.494   5.471   5.471
  753   1HB   CYS  96          2HB       CYS  96   5.077   6.459   6.459
  754   2HB   CYS  96          1HB       CYS  96   4.451   4.813   4.813
  755    H    GLU  97           H        GLU  97   2.992   5.042   5.042
  756    HA   GLU  97           HA       GLU  97   5.347   6.310   6.310
  757   1HB   GLU  97          2HB       GLU  97   3.469   7.407   7.407
  758   2HB   GLU  97          1HB       GLU  97   2.613   5.877   5.877
  759   1HG   GLU  97          2HG       GLU  97   4.128   5.130   5.130
  760   2HG   GLU  97          1HG       GLU  97   5.348   6.321   6.321
  761    H    ASN  98           H        ASN  98   6.537   4.641   4.641
  762    HA   ASN  98           HA       ASN  98   7.263   2.376   2.376
  763   1HB   ASN  98          2HB       ASN  98   4.335   2.346   2.346
  764   2HB   ASN  98          1HB       ASN  98   5.153   0.796   0.796
  765   1HD2  ASN  98          2HD2      ASN  98   5.831   2.996   2.996
  766   2HD2  ASN  98          1HD2      ASN  98   4.739   3.506   3.506
  767    H    GLN  99           H        GLN  99   6.565   3.476   3.476
  768    HA   GLN  99           HA       GLN  99   6.278   3.019   3.019
  769   1HB   GLN  99          2HB       GLN  99   7.291   0.921   0.921
  770   2HB   GLN  99          1HB       GLN  99   8.317   1.761   1.761
  771   1HG   GLN  99          2HG       GLN  99   7.760   0.218   0.218
  772   2HG   GLN  99          1HG       GLN  99   6.472  -0.505  -0.505
  773   1HE2  GLN  99          2HE2      GLN  99  10.270  -1.810  -1.810
  774   2HE2  GLN  99          1HE2      GLN  99   9.847  -0.651  -0.651
  775    H    TYR 100           H        TYR 100   4.033   1.840   1.840
  776    HA   TYR 100           HA       TYR 100   2.548   0.532   0.532
  777   1HB   TYR 100          2HB       TYR 100   1.796  -1.056  -1.056
  778   2HB   TYR 100          1HB       TYR 100   2.939  -0.443  -0.443
  779    HD1  TYR 100           HD2      TYR 100  -0.542   0.345   0.345
  780    HD2  TYR 100           HD1      TYR 100   2.097   0.166   0.166
  781    HE1  TYR 100           HE2      TYR 100  -2.408   1.025   1.025
  782    HE2  TYR 100           HE1      TYR 100   0.226   0.838   0.838
  783    HH   TYR 100           HH       TYR 100  -2.632   2.139   2.139
  784    HA   PRO 101           HA       PRO 101   0.261   4.305   4.305
  785   1HB   PRO 101          2HB       PRO 101  -2.252   3.379   3.379
  786   2HB   PRO 101          1HB       PRO 101  -0.921   3.644   3.644
  787   1HG   PRO 101          2HG       PRO 101  -1.883   1.064   1.064
  788   2HG   PRO 101          1HG       PRO 101  -1.257   1.370   1.370
  789   1HD   PRO 101          2HD       PRO 101   0.272   0.210   0.210
  790   2HD   PRO 101          1HD       PRO 101   0.969   1.223   1.223
  791    H    VAL 102           H        VAL 102   0.451   4.670   4.670
  792    HA   VAL 102           HA       VAL 102  -1.449   3.443   3.443
  793    HB   VAL 102           HB       VAL 102   0.690   5.569   5.569
  794   1HG1  VAL 102          2HG1      VAL 102  -1.012   4.093   4.093
  795   2HG1  VAL 102          1HG1      VAL 102   0.402   5.065   5.065
  796   3HG1  VAL 102          3HG1      VAL 102  -1.017   5.828   5.828
  797   1HG2  VAL 102          3HG2      VAL 102   0.999   2.862   2.862
  798   2HG2  VAL 102          2HG2      VAL 102   2.156   3.888   3.888
  799   3HG2  VAL 102          1HG2      VAL 102   0.986   2.949   2.949
  800    H    HIS 103           H        HIS 103  -1.190   6.358   6.358
  801    HA   HIS 103           HA       HIS 103  -3.660   7.367   7.367
  802   1HB   HIS 103          2HB       HIS 103  -2.173   9.633   9.633
  803   2HB   HIS 103          1HB       HIS 103  -2.570   9.235   9.235
  804    HD1  HIS 103           HD1      HIS 103  -0.495   9.207   9.207
  805    HD2  HIS 103           HD2      HIS 103   0.278   7.798   7.798
  806    HE1  HIS 103           HE1      HIS 103   1.953   8.503   8.503
  807    H    PHE 104           H        PHE 104  -5.151   8.293   8.293
  808    HA   PHE 104           HA       PHE 104  -4.239   8.062   8.062
  809   1HB   PHE 104          2HB       PHE 104  -6.408   6.682   6.682
  810   2HB   PHE 104          1HB       PHE 104  -7.097   7.831   7.831
  811    HD1  PHE 104           HD2      PHE 104  -5.538   8.083   8.083
  812    HD2  PHE 104           HD1      PHE 104  -5.877   4.574   4.574
  813    HE1  PHE 104           HE2      PHE 104  -4.684   6.719   6.719
  814    HE2  PHE 104           HE1      PHE 104  -5.024   3.198   3.198
  815    HZ   PHE 104           HZ       PHE 104  -4.440   4.269   4.269
  816    H    ALA 105           H        ALA 105  -4.400   9.831   9.831
  817    HA   ALA 105           HA       ALA 105  -5.310  12.337  12.337
  818   1HB   ALA 105          3HB       ALA 105  -3.973  11.508  11.508
  819   2HB   ALA 105          2HB       ALA 105  -4.948  12.973  12.973
  820   3HB   ALA 105          1HB       ALA 105  -3.633  12.867  12.867
  821    H    GLY 106           H        GLY 106  -6.621  10.183  10.183
  822   1HA   GLY 106          2HA       GLY 106  -9.190  10.093  10.093
  823   2HA   GLY 106          1HA       GLY 106  -9.111  11.845  11.845
  824    H    ILE 107           H        ILE 107  -9.843  12.361  12.361
  825    HA   ILE 107           HA       ILE 107  -9.890  10.673  10.673
  826    HB   ILE 107           HB       ILE 107 -11.336  12.692  12.692
  827   1HG1  ILE 107          2HG1      ILE 107 -10.028  13.056  13.056
  828   2HG1  ILE 107          1HG1      ILE 107 -10.793  11.510  11.510
  829   1HG2  ILE 107          2HG2      ILE 107  -9.043  14.064  14.064
  830   2HG2  ILE 107          1HG2      ILE 107  -9.331  14.456  14.456
  831   3HG2  ILE 107          3HG2      ILE 107 -10.552  14.835  14.835
  832   1HD1  ILE 107          2HD1      ILE 107 -12.258  14.086  14.086
  833   2HD1  ILE 107          1HD1      ILE 107 -12.237  13.390  13.390
  834   3HD1  ILE 107          3HD1      ILE 107 -12.917  12.473  12.473
  835    H    GLY 108           H        GLY 108  -8.792  11.177  11.177
  836   1HA   GLY 108          2HA       GLY 108  -6.018  10.809  10.809
  837   2HA   GLY 108          1HA       GLY 108  -6.876  11.440  11.440
  838    H    ARG 109           H        ARG 109  -7.726  13.899  13.899
  839    HA   ARG 109           HA       ARG 109  -5.378  15.513  15.513
  840   1HB   ARG 109          2HB       ARG 109  -8.280  16.046  16.046
  841   2HB   ARG 109          1HB       ARG 109  -7.116  17.336  17.336
  842   1HG   ARG 109          2HG       ARG 109  -7.289  15.796  15.796
  843   2HG   ARG 109          1HG       ARG 109  -8.085  17.344  17.344
  844   1HD   ARG 109          2HD       ARG 109  -5.222  17.299  17.299
  845   2HD   ARG 109          1HD       ARG 109  -5.546  17.077  17.077
  846    HE   ARG 109           HE       ARG 109  -6.102  19.357  19.357
  847   1HH1  ARG 109          2HH1      ARG 109  -5.302  18.740  18.740
  848   2HH1  ARG 109          1HH1      ARG 109  -6.331  19.943  19.943
  849   1HH2  ARG 109          1HH2      ARG 109  -7.990  20.630  20.630
  850   2HH2  ARG 109          2HH2      ARG 109  -7.856  21.016  21.016
  851    H    CYS 110           H        CYS 110  -3.910  15.206  15.206
  852    HA   CYS 110           HA       CYS 110  -4.490  14.850  14.850
  853   1HB   CYS 110          2HB       CYS 110  -2.032  16.119  16.119
  854   2HB   CYS 110          1HB       CYS 110  -2.121  15.432  15.432
  855    HA   PRO 111           HA       PRO 111  -5.602  19.023  19.023
  856   1HB   PRO 111          2HB       PRO 111  -4.957  19.032  19.032
  857   2HB   PRO 111          1HB       PRO 111  -6.392  18.221  18.221
  858   1HG   PRO 111          2HG       PRO 111  -3.825  17.028  17.028
  859   2HG   PRO 111          1HG       PRO 111  -5.454  16.331  16.331
  860   1HD   PRO 111          1HD       PRO 111  -3.428  15.729  15.729
  861   2HD   PRO 111          2HD       PRO 111  -5.160  15.384  15.384

  Start of MODEL   13
    1    HN   PCA   1           HN       PCA   1  -4.634   4.165   4.165
    2    HA   PCA   1           HA       PCA   1  -2.371   5.352   5.352
    3   1HB   PCA   1          1HB       PCA   1  -2.191   6.599   6.599
    4   2HB   PCA   1          2HB       PCA   1  -2.449   5.162   5.162
    5   1HG   PCA   1          1HG       PCA   1  -4.317   7.266   7.266
    6   2HG   PCA   1          2HG       PCA   1  -4.567   5.855   5.855
    7    H    ASN   2           H        ASN   2  -4.116   2.743   2.743
    8    HA   ASN   2           HA       ASN   2  -1.622   1.177   1.177
    9   1HB   ASN   2          2HB       ASN   2  -3.164   1.241   1.241
   10   2HB   ASN   2          1HB       ASN   2  -4.484   0.691   0.691
   11   1HD2  ASN   2          2HD2      ASN   2  -3.743  -2.627  -2.627
   12   2HD2  ASN   2          1HD2      ASN   2  -4.918  -1.420  -1.420
   13    H    TRP   3           H        TRP   3  -1.501  -0.992  -0.992
   14    HA   TRP   3           HA       TRP   3  -2.304  -1.167  -1.167
   15   1HB   TRP   3          2HB       TRP   3  -0.458  -2.472  -2.472
   16   2HB   TRP   3          1HB       TRP   3  -1.485  -3.726  -3.726
   17    HD1  TRP   3           HD1      TRP   3   1.636  -2.264  -2.264
   18    HE1  TRP   3           HE1      TRP   3   2.406  -2.470  -2.470
   19    HE3  TRP   3           HE3      TRP   3  -2.863  -3.199  -3.199
   20    HZ2  TRP   3           HZ2      TRP   3   1.303  -2.964  -2.964
   21    HZ3  TRP   3           HZ3      TRP   3  -2.940  -3.547  -3.547
   22    HH2  TRP   3           HH2      TRP   3  -0.863  -3.434  -3.434
   23    H    ALA   4           H        ALA   4  -3.595  -2.498  -2.498
   24    HA   ALA   4           HA       ALA   4  -5.261  -4.537  -4.537
   25   1HB   ALA   4          3HB       ALA   4  -4.439  -4.168  -4.168
   26   2HB   ALA   4          2HB       ALA   4  -5.989  -3.340  -3.340
   27   3HB   ALA   4          1HB       ALA   4  -5.933  -5.032  -5.032
   28    H    THR   5           H        THR   5  -6.156  -1.454  -1.454
   29    HA   THR   5           HA       THR   5  -8.868  -1.448  -1.448
   30    HB   THR   5           HB       THR   5  -7.172   0.985   0.985
   31    HG1  THR   5           HG1      THR   5  -6.984  -0.290  -0.290
   32   1HG2  THR   5          2HG2      THR   5  -9.539   1.135   1.135
   33   2HG2  THR   5          1HG2      THR   5 -10.105   0.565   0.565
   34   3HG2  THR   5          3HG2      THR   5  -9.209   2.079   2.079
   35    H    PHE   6           H        PHE   6  -5.816  -0.401  -0.401
   36    HA   PHE   6           HA       PHE   6  -7.006   0.998   0.998
   37   1HB   PHE   6          2HB       PHE   6  -4.759   1.555   1.555
   38   2HB   PHE   6          1HB       PHE   6  -4.220  -0.033  -0.033
   39    HD1  PHE   6           HD2      PHE   6  -4.420  -0.631  -0.631
   40    HD2  PHE   6           HD1      PHE   6  -4.914   3.405   3.405
   41    HE1  PHE   6           HE2      PHE   6  -4.023   0.230   0.230
   42    HE2  PHE   6           HE1      PHE   6  -4.518   4.277   4.277
   43    HZ   PHE   6           HZ       PHE   6  -4.072   2.669   2.669
   44    H    GLN   7           H        GLN   7  -6.214  -2.288  -2.288
   45    HA   GLN   7           HA       GLN   7  -5.970  -3.354  -3.354
   46   1HB   GLN   7          2HB       GLN   7  -5.456  -4.634  -4.634
   47   2HB   GLN   7          1HB       GLN   7  -7.191  -4.734  -4.734
   48   1HG   GLN   7          2HG       GLN   7  -6.686  -6.758  -6.758
   49   2HG   GLN   7          1HG       GLN   7  -7.363  -5.726  -5.726
   50   1HE2  GLN   7          2HE2      GLN   7  -3.436  -6.833  -6.833
   51   2HE2  GLN   7          1HE2      GLN   7  -4.371  -7.190  -7.190
   52    H    GLN   8           H        GLN   8  -8.684  -2.605  -2.605
   53    HA   GLN   8           HA       GLN   8 -10.711  -3.533  -3.533
   54   1HB   GLN   8          2HB       GLN   8 -10.671  -2.347  -2.347
   55   2HB   GLN   8          1HB       GLN   8 -11.995  -1.762  -1.762
   56   1HG   GLN   8          2HG       GLN   8 -12.842  -3.709  -3.709
   57   2HG   GLN   8          1HG       GLN   8 -12.443  -4.219  -4.219
   58   1HE2  GLN   8          2HE2      GLN   8 -10.369  -6.767  -6.767
   59   2HE2  GLN   8          1HE2      GLN   8 -11.510  -6.266  -6.266
   60    H    LYS   9           H        LYS   9  -9.090  -0.535  -0.535
   61    HA   LYS   9           HA       LYS   9 -10.557   1.446   1.446
   62   1HB   LYS   9          2HB       LYS   9  -8.510   1.928   1.928
   63   2HB   LYS   9          1HB       LYS   9  -7.525   1.206   1.206
   64   1HG   LYS   9          2HG       LYS   9  -7.413   3.496   3.496
   65   2HG   LYS   9          1HG       LYS   9  -8.675   2.938   2.938
   66   1HD   LYS   9          2HD       LYS   9 -10.176   3.472   3.472
   67   2HD   LYS   9          1HD       LYS   9  -8.895   4.666   4.666
   68   1HE   LYS   9          2HE       LYS   9  -9.793   5.953   5.953
   69   2HE   LYS   9          1HE       LYS   9  -9.715   4.622   4.622
   70   1HZ   LYS   9          1HZ       LYS   9 -11.786   3.776   3.776
   71   2HZ   LYS   9          3HZ       LYS   9 -11.908   5.343   5.343
   72   3HZ   LYS   9          2HZ       LYS   9 -11.963   5.106   5.106
   73    H    HIS  10           H        HIS  10  -8.018  -0.435  -0.435
   74    HA   HIS  10           HA       HIS  10  -9.431   0.407   0.407
   75   1HB   HIS  10          2HB       HIS  10  -6.526  -0.176  -0.176
   76   2HB   HIS  10          1HB       HIS  10  -7.194  -0.219  -0.219
   77    HD1  HIS  10           HD1      HIS  10  -8.171   1.928   1.928
   78    HD2  HIS  10           HD2      HIS  10  -6.654   2.408   2.408
   79    HE1  HIS  10           HE1      HIS  10  -8.359   4.388   4.388
   80    H    ILE  11           H        ILE  11  -9.211  -2.386  -2.386
   81    HA   ILE  11           HA       ILE  11  -9.709  -3.958  -3.958
   82    HB   ILE  11           HB       ILE  11  -8.394  -5.011  -5.011
   83   1HG1  ILE  11          2HG1      ILE  11  -6.994  -3.412  -3.412
   84   2HG1  ILE  11          1HG1      ILE  11  -6.347  -5.048  -5.048
   85   1HG2  ILE  11          2HG2      ILE  11  -9.257  -6.260  -6.260
   86   2HG2  ILE  11          1HG2      ILE  11  -7.850  -6.897  -6.897
   87   3HG2  ILE  11          3HG2      ILE  11  -9.426  -6.879  -6.879
   88   1HD1  ILE  11          2HD1      ILE  11  -8.232  -4.426  -4.426
   89   2HD1  ILE  11          1HD1      ILE  11  -6.719  -3.527  -3.527
   90   3HD1  ILE  11          3HD1      ILE  11  -6.701  -5.288  -5.288
   91    H    ILE  12           H        ILE  12 -11.957  -3.081  -3.081
   92    HA   ILE  12           HA       ILE  12 -13.348  -4.991  -4.991
   93    HB   ILE  12           HB       ILE  12 -14.654  -2.719  -2.719
   94   1HG1  ILE  12          2HG1      ILE  12 -14.389  -1.608  -1.608
   95   2HG1  ILE  12          1HG1      ILE  12 -12.938  -2.609  -2.609
   96   1HG2  ILE  12          3HG2      ILE  12 -15.760  -4.716  -4.716
   97   2HG2  ILE  12          2HG2      ILE  12 -15.450  -3.590  -3.590
   98   3HG2  ILE  12          1HG2      ILE  12 -16.456  -3.096  -3.096
   99   1HD1  ILE  12          2HD1      ILE  12 -13.365  -1.112  -1.112
  100   2HD1  ILE  12          1HD1      ILE  12 -13.035  -0.113  -0.113
  101   3HD1  ILE  12          3HD1      ILE  12 -11.883  -1.355  -1.355
  102    H    ASN  13           H        ASN  13 -12.309  -6.345  -6.345
  103    HA   ASN  13           HA       ASN  13 -13.400  -6.360  -6.360
  104   1HB   ASN  13          2HB       ASN  13 -12.810  -8.868  -8.868
  105   2HB   ASN  13          1HB       ASN  13 -11.506  -7.721  -7.721
  106   1HD2  ASN  13          2HD2      ASN  13 -10.727  -9.205  -9.205
  107   2HD2  ASN  13          1HD2      ASN  13 -10.200  -8.364  -8.364
  108    H    THR  14           H        THR  14 -15.627  -5.911  -5.911
  109    HA   THR  14           HA       THR  14 -17.359  -8.248  -8.248
  110    HB   THR  14           HB       THR  14 -18.927  -7.274  -7.274
  111    HG1  THR  14           HG1      THR  14 -17.982  -5.293  -5.293
  112   1HG2  THR  14          1HG2      THR  14 -17.270  -9.275  -9.275
  113   2HG2  THR  14          3HG2      THR  14 -16.338  -8.170  -8.170
  114   3HG2  THR  14          2HG2      THR  14 -17.987  -8.598  -8.598
  115    HA   PRO  15           HA       PRO  15 -18.481  -4.262  -4.262
  116   1HB   PRO  15          2HB       PRO  15 -17.882  -5.099  -5.099
  117   2HB   PRO  15          1HB       PRO  15 -16.740  -4.242  -4.242
  118   1HG   PRO  15          2HG       PRO  15 -16.816  -7.137  -7.137
  119   2HG   PRO  15          1HG       PRO  15 -15.432  -6.126  -6.126
  120   1HD   PRO  15          2HD       PRO  15 -16.729  -7.963  -7.963
  121   2HD   PRO  15          1HD       PRO  15 -15.619  -6.675  -6.675
  122    H    ILE  16           H        ILE  16 -20.584  -5.132  -5.132
  123    HA   ILE  16           HA       ILE  16 -22.048  -6.617  -6.617
  124    HB   ILE  16           HB       ILE  16 -23.193  -6.706  -6.706
  125   1HG1  ILE  16          2HG1      ILE  16 -20.862  -8.538  -8.538
  126   2HG1  ILE  16          1HG1      ILE  16 -20.670  -7.088  -7.088
  127   1HG2  ILE  16          2HG2      ILE  16 -23.111  -8.306  -8.306
  128   2HG2  ILE  16          1HG2      ILE  16 -23.112  -9.261  -9.261
  129   3HG2  ILE  16          3HG2      ILE  16 -24.413  -8.111  -8.111
  130   1HD1  ILE  16          1HD1      ILE  16 -22.643  -9.307  -9.307
  131   2HD1  ILE  16          3HD1      ILE  16 -21.060  -9.144  -9.144
  132   3HD1  ILE  16          2HD1      ILE  16 -22.290  -7.906  -7.906
  133    H    ILE  17           H        ILE  17 -24.632  -6.179  -6.179
  134    HA   ILE  17           HA       ILE  17 -24.901  -3.231  -3.231
  135    HB   ILE  17           HB       ILE  17 -27.349  -3.831  -3.831
  136   1HG1  ILE  17          2HG1      ILE  17 -26.266  -6.649  -6.649
  137   2HG1  ILE  17          1HG1      ILE  17 -27.095  -6.083  -6.083
  138   1HG2  ILE  17          3HG2      ILE  17 -25.239  -5.101  -5.101
  139   2HG2  ILE  17          2HG2      ILE  17 -26.883  -4.701  -4.701
  140   3HG2  ILE  17          1HG2      ILE  17 -25.757  -3.416  -3.416
  141   1HD1  ILE  17          1HD1      ILE  17 -28.264  -5.978  -5.978
  142   2HD1  ILE  17          3HD1      ILE  17 -28.631  -7.227  -7.227
  143   3HD1  ILE  17          2HD1      ILE  17 -29.090  -5.552  -5.552
  144    H    ASN  18           H        ASN  18 -24.092  -4.457  -4.457
  145    HA   ASN  18           HA       ASN  18 -26.205  -3.276  -3.276
  146   1HB   ASN  18          2HB       ASN  18 -24.815  -5.882  -5.882
  147   2HB   ASN  18          1HB       ASN  18 -26.194  -5.130  -5.130
  148   1HD2  ASN  18          2HD2      ASN  18 -28.568  -6.625  -6.625
  149   2HD2  ASN  18          1HD2      ASN  18 -28.264  -5.686  -5.686
  150    H    CYS  19           H        CYS  19 -24.857  -1.493  -1.493
  151    HA   CYS  19           HA       CYS  19 -22.033  -1.837  -1.837
  152   1HB   CYS  19          2HB       CYS  19 -23.723   0.654   0.654
  153   2HB   CYS  19          1HB       CYS  19 -21.967   0.551   0.551
  154    H    ASN  20           H        ASN  20 -24.966  -1.964  -1.964
  155    HA   ASN  20           HA       ASN  20 -23.638  -1.209  -1.209
  156   1HB   ASN  20          2HB       ASN  20 -25.805  -2.069  -2.069
  157   2HB   ASN  20          1HB       ASN  20 -25.975  -0.714  -0.714
  158   1HD2  ASN  20          2HD2      ASN  20 -27.677  -4.297  -4.297
  159   2HD2  ASN  20          1HD2      ASN  20 -26.719  -4.117  -4.117
  160    H    THR  21           H        THR  21 -24.962  -4.271  -4.271
  161    HA   THR  21           HA       THR  21 -24.176  -6.007  -6.007
  162    HB   THR  21           HB       THR  21 -23.797  -7.619  -7.619
  163    HG1  THR  21           HG1      THR  21 -24.038  -5.707  -5.707
  164   1HG2  THR  21          1HG2      THR  21 -26.134  -6.707  -6.707
  165   2HG2  THR  21          3HG2      THR  21 -26.520  -7.508  -7.508
  166   3HG2  THR  21          2HG2      THR  21 -25.551  -8.342  -8.342
  167    H    ILE  22           H        ILE  22 -22.269  -4.590  -4.590
  168    HA   ILE  22           HA       ILE  22 -19.899  -6.191  -6.191
  169    HB   ILE  22           HB       ILE  22 -18.779  -4.825  -4.825
  170   1HG1  ILE  22          2HG1      ILE  22 -21.427  -3.354  -3.354
  171   2HG1  ILE  22          1HG1      ILE  22 -19.983  -2.683  -2.683
  172   1HG2  ILE  22          3HG2      ILE  22 -20.301  -6.779  -6.779
  173   2HG2  ILE  22          2HG2      ILE  22 -21.557  -5.598  -5.598
  174   3HG2  ILE  22          1HG2      ILE  22 -20.064  -5.623  -5.623
  175   1HD1  ILE  22          2HD1      ILE  22 -19.004  -3.582  -3.582
  176   2HD1  ILE  22          1HD1      ILE  22 -20.613  -3.008  -3.008
  177   3HD1  ILE  22          3HD1      ILE  22 -19.469  -1.918  -1.918
  178    H    MET  23           H        MET  23 -21.069  -2.890  -2.890
  179    HA   MET  23           HA       MET  23 -18.648  -2.443  -2.443
  180   1HB   MET  23          2HB       MET  23 -18.964  -0.098  -0.098
  181   2HB   MET  23          1HB       MET  23 -19.280  -0.745  -0.745
  182   1HG   MET  23          2HG       MET  23 -21.270   0.306   0.306
  183   2HG   MET  23          1HG       MET  23 -21.771  -0.782  -0.782
  184   1HE   MET  23          2HE       MET  23 -23.308   0.575   0.575
  185   2HE   MET  23          1HE       MET  23 -22.667   0.515   0.515
  186   3HE   MET  23          3HE       MET  23 -23.164   2.060   2.060
  187    H    ASP  24           H        ASP  24 -20.599  -4.204  -4.204
  188    HA   ASP  24           HA       ASP  24 -22.297  -2.775  -2.775
  189   1HB   ASP  24          2HB       ASP  24 -22.021  -5.572  -5.572
  190   2HB   ASP  24          1HB       ASP  24 -22.631  -5.386  -5.386
  191    H    ASN  25           H        ASN  25 -19.705  -2.133  -2.133
  192    HA   ASN  25           HA       ASN  25 -19.095  -3.663  -3.663
  193   1HB   ASN  25          2HB       ASN  25 -17.406  -4.075  -4.075
  194   2HB   ASN  25          1HB       ASN  25 -17.013  -2.369  -2.369
  195   1HD2  ASN  25          2HD2      ASN  25 -16.215  -4.475  -4.475
  196   2HD2  ASN  25          1HD2      ASN  25 -17.654  -4.786  -4.786
  197    H    ASN  26           H        ASN  26 -17.971  -2.325  -2.325
  198    HA   ASN  26           HA       ASN  26 -19.231   0.297   0.297
  199   1HB   ASN  26          2HB       ASN  26 -17.892   0.419   0.419
  200   2HB   ASN  26          1HB       ASN  26 -18.895  -1.024  -1.024
  201   1HD2  ASN  26          2HD2      ASN  26 -14.827  -1.385  -1.385
  202   2HD2  ASN  26          1HD2      ASN  26 -15.549   0.147   0.147
  203    H    ILE  27           H        ILE  27 -16.378  -0.710  -0.710
  204    HA   ILE  27           HA       ILE  27 -14.797   1.683   1.683
  205    HB   ILE  27           HB       ILE  27 -13.211   0.810   0.810
  206   1HG1  ILE  27          2HG1      ILE  27 -15.336  -1.250  -1.250
  207   2HG1  ILE  27          1HG1      ILE  27 -14.880   0.109   0.109
  208   1HG2  ILE  27          1HG2      ILE  27 -14.439  -0.972  -0.972
  209   2HG2  ILE  27          3HG2      ILE  27 -13.331  -1.735  -1.735
  210   3HG2  ILE  27          2HG2      ILE  27 -12.781  -0.392  -0.392
  211   1HD1  ILE  27          1HD1      ILE  27 -12.441  -1.098  -1.098
  212   2HD1  ILE  27          3HD1      ILE  27 -13.533  -2.459  -2.459
  213   3HD1  ILE  27          2HD1      ILE  27 -13.318  -1.256  -1.256
  214    H    TYR  28           H        TYR  28 -17.526   1.233   1.233
  215    HA   TYR  28           HA       TYR  28 -16.673   3.323   3.323
  216   1HB   TYR  28          2HB       TYR  28 -18.970   1.344   1.344
  217   2HB   TYR  28          1HB       TYR  28 -18.457   2.481   2.481
  218    HD1  TYR  28           HD2      TYR  28 -15.915   2.413   2.413
  219    HD2  TYR  28           HD1      TYR  28 -18.048  -0.822  -0.822
  220    HE1  TYR  28           HE2      TYR  28 -14.196   0.832   0.832
  221    HE2  TYR  28           HE1      TYR  28 -16.316  -2.408  -2.408
  222    HH   TYR  28           HH       TYR  28 -14.598  -2.368  -2.368
  223    H    ILE  29           H        ILE  29 -17.373   4.312   4.312
  224    HA   ILE  29           HA       ILE  29 -19.852   5.828   5.828
  225    HB   ILE  29           HB       ILE  29 -19.591   4.456   4.456
  226   1HG1  ILE  29          2HG1      ILE  29 -21.258   3.625   3.625
  227   2HG1  ILE  29          1HG1      ILE  29 -19.862   2.753   2.753
  228   1HG2  ILE  29          1HG2      ILE  29 -21.345   6.476   6.476
  229   2HG2  ILE  29          3HG2      ILE  29 -22.260   5.080   5.080
  230   3HG2  ILE  29          2HG2      ILE  29 -21.208   5.959   5.959
  231   1HD1  ILE  29          3HD1      ILE  29 -21.900   3.329   3.329
  232   2HD1  ILE  29          2HD1      ILE  29 -22.461   2.275   2.275
  233   3HD1  ILE  29          1HD1      ILE  29 -21.044   1.827   1.827
  234    H    VAL  30           H        VAL  30 -19.931   7.806   7.806
  235    HA   VAL  30           HA       VAL  30 -17.488   8.711   8.711
  236    HB   VAL  30           HB       VAL  30 -19.516  10.330  10.330
  237   1HG1  VAL  30          3HG1      VAL  30 -16.993  11.031  11.031
  238   2HG1  VAL  30          2HG1      VAL  30 -17.554  12.012  12.012
  239   3HG1  VAL  30          1HG1      VAL  30 -18.573  11.815  11.815
  240   1HG2  VAL  30          3HG2      VAL  30 -16.762   9.255   9.255
  241   2HG2  VAL  30          2HG2      VAL  30 -18.265   8.984   8.984
  242   3HG2  VAL  30          1HG2      VAL  30 -17.507  10.576  10.576
  243    H    GLY  31           H        GLY  31 -18.090  10.554  10.554
  244   1HA   GLY  31          2HA       GLY  31 -20.401   9.608   9.608
  245   2HA   GLY  31          1HA       GLY  31 -19.158  10.731  10.731
  246    H    GLY  32           H        GLY  32 -21.588  10.584  10.584
  247   1HA   GLY  32          2HA       GLY  32 -22.704  13.180  13.180
  248   2HA   GLY  32          1HA       GLY  32 -22.093  13.070  13.070
  249    H    GLN  33           H        GLN  33 -22.939  10.940  10.940
  250    HA   GLN  33           HA       GLN  33 -25.543   9.920   9.920
  251   1HB   GLN  33          2HB       GLN  33 -25.410  12.310  12.310
  252   2HB   GLN  33          1HB       GLN  33 -26.531  11.036  11.036
  253   1HG   GLN  33          2HG       GLN  33 -27.200  11.146  11.146
  254   2HG   GLN  33          1HG       GLN  33 -26.566  12.785  12.785
  255   1HE2  GLN  33          2HE2      GLN  33 -30.251  12.193  12.193
  256   2HE2  GLN  33          1HE2      GLN  33 -29.448  11.262  11.262
  257    H    CYS  34           H        CYS  34 -24.496  10.798  10.798
  258    HA   CYS  34           HA       CYS  34 -23.649   8.009   8.009
  259   1HB   CYS  34          2HB       CYS  34 -26.210   8.604   8.604
  260   2HB   CYS  34          1HB       CYS  34 -25.500   9.329   9.329
  261    H    LYS  35           H        LYS  35 -21.867   8.053   8.053
  262    HA   LYS  35           HA       LYS  35 -20.616  10.513  10.513
  263   1HB   LYS  35          2HB       LYS  35 -19.854   7.839   7.839
  264   2HB   LYS  35          1HB       LYS  35 -19.821   8.208   8.208
  265   1HG   LYS  35          2HG       LYS  35 -18.410  10.182  10.182
  266   2HG   LYS  35          1HG       LYS  35 -18.442   9.817   9.817
  267   1HD   LYS  35          2HD       LYS  35 -17.348   7.656   7.656
  268   2HD   LYS  35          1HD       LYS  35 -17.339   7.989   7.989
  269   1HE   LYS  35          2HE       LYS  35 -15.904   9.578   9.578
  270   2HE   LYS  35          1HE       LYS  35 -15.154   8.546   8.546
  271   1HZ   LYS  35          3HZ       LYS  35 -16.395  10.059  10.059
  272   2HZ   LYS  35          2HZ       LYS  35 -16.496  11.147  11.147
  273   3HZ   LYS  35          1HZ       LYS  35 -14.979  10.640  10.640
  274    H    ARG  36           H        ARG  36 -20.069  11.122  11.122
  275    HA   ARG  36           HA       ARG  36 -22.529  10.941  10.941
  276   1HB   ARG  36          2HB       ARG  36 -20.187  12.871  12.871
  277   2HB   ARG  36          1HB       ARG  36 -21.600  12.936  12.936
  278   1HG   ARG  36          2HG       ARG  36 -22.999  13.018  13.018
  279   2HG   ARG  36          1HG       ARG  36 -21.483  13.370  13.370
  280   1HD   ARG  36          2HD       ARG  36 -22.227  15.520  15.520
  281   2HD   ARG  36          1HD       ARG  36 -21.229  15.190  15.190
  282    HE   ARG  36           HE       ARG  36 -23.538  14.378  14.378
  283   1HH1  ARG  36          1HH2      ARG  36 -25.590  15.155  15.155
  284   2HH1  ARG  36          2HH2      ARG  36 -25.826  16.856  16.856
  285   1HH2  ARG  36          2HH1      ARG  36 -22.710  17.362  17.362
  286   2HH2  ARG  36          1HH1      ARG  36 -24.197  18.104  18.104
  287    H    VAL  37           H        VAL  37 -19.513   9.436   9.436
  288    HA   VAL  37           HA       VAL  37 -19.801   8.378   8.378
  289    HB   VAL  37           HB       VAL  37 -18.659  10.561  10.561
  290   1HG1  VAL  37          2HG1      VAL  37 -17.377  10.512  10.512
  291   2HG1  VAL  37          1HG1      VAL  37 -16.254   9.418   9.418
  292   3HG1  VAL  37          3HG1      VAL  37 -16.486  11.053  11.053
  293   1HG2  VAL  37          3HG2      VAL  37 -18.252   8.272   8.272
  294   2HG2  VAL  37          2HG2      VAL  37 -17.193   9.638   9.638
  295   3HG2  VAL  37          1HG2      VAL  37 -16.658   8.367   8.367
  296    H    ASN  38           H        ASN  38 -19.472   6.321   6.321
  297    HA   ASN  38           HA       ASN  38 -17.315   5.432   5.432
  298   1HB   ASN  38          2HB       ASN  38 -19.622   3.741   3.741
  299   2HB   ASN  38          1HB       ASN  38 -18.514   3.353   3.353
  300   1HD2  ASN  38          2HD2      ASN  38 -20.102   6.218   6.218
  301   2HD2  ASN  38          1HD2      ASN  38 -18.572   6.052   6.052
  302    H    THR  39           H        THR  39 -15.730   5.790   5.790
  303    HA   THR  39           HA       THR  39 -15.922   4.503   4.503
  304    HB   THR  39           HB       THR  39 -13.494   5.756   5.756
  305    HG1  THR  39           HG1      THR  39 -14.197   7.640   7.640
  306   1HG2  THR  39          3HG2      THR  39 -13.338   4.304   4.304
  307   2HG2  THR  39          2HG2      THR  39 -14.169   5.644   5.644
  308   3HG2  THR  39          1HG2      THR  39 -12.599   5.906   5.906
  309    H    PHE  40           H        PHE  40 -15.753   2.354   2.354
  310    HA   PHE  40           HA       PHE  40 -13.816   0.887   0.887
  311   1HB   PHE  40          2HB       PHE  40 -15.878  -0.254  -0.254
  312   2HB   PHE  40          1HB       PHE  40 -15.047  -1.104  -1.104
  313    HD1  PHE  40           HD2      PHE  40 -15.235   0.510   0.510
  314    HD2  PHE  40           HD1      PHE  40 -18.141   0.022   0.022
  315    HE1  PHE  40           HE2      PHE  40 -17.041   1.149   1.149
  316    HE2  PHE  40           HE1      PHE  40 -19.943   0.668   0.668
  317    HZ   PHE  40           HZ       PHE  40 -19.393   1.231   1.231
  318    H    ILE  41           H        ILE  41 -12.367  -0.757  -0.757
  319    HA   ILE  41           HA       ILE  41 -11.939   0.106   0.106
  320    HB   ILE  41           HB       ILE  41  -9.975   0.072   0.072
  321   1HG1  ILE  41          2HG1      ILE  41  -9.286   2.061   2.061
  322   2HG1  ILE  41          1HG1      ILE  41 -10.992   1.891   1.891
  323   1HG2  ILE  41          2HG2      ILE  41  -9.265  -0.349  -0.349
  324   2HG2  ILE  41          1HG2      ILE  41  -8.111   0.133   0.133
  325   3HG2  ILE  41          3HG2      ILE  41  -8.900  -1.443  -1.443
  326   1HD1  ILE  41          2HD1      ILE  41 -10.248   1.966   1.966
  327   2HD1  ILE  41          1HD1      ILE  41 -10.211   3.478   3.478
  328   3HD1  ILE  41          3HD1      ILE  41 -11.708   2.552   2.552
  329    H    ILE  42           H        ILE  42 -11.699  -1.492  -1.492
  330    HA   ILE  42           HA       ILE  42 -11.517  -4.290  -4.290
  331    HB   ILE  42           HB       ILE  42 -13.612  -3.880  -3.880
  332   1HG1  ILE  42          2HG1      ILE  42 -13.349  -5.563  -5.563
  333   2HG1  ILE  42          1HG1      ILE  42 -11.608  -5.515  -5.515
  334   1HG2  ILE  42          3HG2      ILE  42 -12.711  -1.968  -1.968
  335   2HG2  ILE  42          2HG2      ILE  42 -11.988  -3.181  -3.181
  336   3HG2  ILE  42          1HG2      ILE  42 -13.737  -3.111  -3.111
  337   1HD1  ILE  42          3HD1      ILE  42 -13.153  -5.892  -5.892
  338   2HD1  ILE  42          2HD1      ILE  42 -13.388  -7.191  -7.191
  339   3HD1  ILE  42          1HD1      ILE  42 -11.765  -6.797  -6.797
  340    H    SER  43           H        SER  43  -9.421  -4.837  -4.837
  341    HA   SER  43           HA       SER  43  -8.013  -5.286  -5.286
  342   1HB   SER  43          2HB       SER  43  -7.823  -2.843  -2.843
  343   2HB   SER  43          1HB       SER  43  -7.194  -2.782  -2.782
  344    HG   SER  43           HG       SER  43  -5.994  -4.196  -4.196
  345    H    SER  44           H        SER  44  -5.948  -6.286  -6.286
  346    HA   SER  44           HA       SER  44  -5.734  -7.835  -7.835
  347   1HB   SER  44          2HB       SER  44  -3.162  -7.862  -7.862
  348   2HB   SER  44          1HB       SER  44  -4.429  -8.757  -8.757
  349    HG   SER  44           HG       SER  44  -3.799  -7.620  -7.620
  350    H    ALA  45           H        ALA  45  -5.257  -7.324  -7.324
  351    HA   ALA  45           HA       ALA  45  -4.804  -4.841  -4.841
  352   1HB   ALA  45          3HB       ALA  45  -5.380  -6.924  -6.924
  353   2HB   ALA  45          2HB       ALA  45  -3.686  -7.406  -7.406
  354   3HB   ALA  45          1HB       ALA  45  -4.134  -5.954  -5.954
  355    H    THR  46           H        THR  46  -2.088  -7.186  -7.186
  356    HA   THR  46           HA       THR  46  -0.157  -5.218  -5.218
  357    HB   THR  46           HB       THR  46   1.515  -6.803  -6.803
  358    HG1  THR  46           HG1      THR  46  -0.373  -8.165  -8.165
  359   1HG2  THR  46          1HG2      THR  46  -0.631  -7.438  -7.438
  360   2HG2  THR  46          3HG2      THR  46  -0.561  -8.841  -8.841
  361   3HG2  THR  46          2HG2      THR  46   0.842  -8.401  -8.401
  362    H    THR  47           H        THR  47  -1.724  -5.731  -5.731
  363    HA   THR  47           HA       THR  47   0.344  -4.715  -4.715
  364    HB   THR  47           HB       THR  47  -2.672  -4.635  -4.635
  365    HG1  THR  47           HG1      THR  47  -0.707  -6.432  -6.432
  366   1HG2  THR  47          2HG2      THR  47  -0.776  -3.251  -3.251
  367   2HG2  THR  47          1HG2      THR  47  -0.856  -4.771  -4.771
  368   3HG2  THR  47          3HG2      THR  47  -2.314  -3.808  -3.808
  369    H    VAL  48           H        VAL  48  -2.181  -3.268  -3.268
  370    HA   VAL  48           HA       VAL  48  -1.690  -0.528  -0.528
  371    HB   VAL  48           HB       VAL  48  -2.898  -1.523  -1.523
  372   1HG1  VAL  48          2HG1      VAL  48  -2.181   0.869   0.869
  373   2HG1  VAL  48          1HG1      VAL  48  -3.232   1.110   1.110
  374   3HG1  VAL  48          3HG1      VAL  48  -3.927   0.680   0.680
  375   1HG2  VAL  48          1HG2      VAL  48  -3.872  -1.960  -1.960
  376   2HG2  VAL  48          3HG2      VAL  48  -4.818  -2.010  -2.010
  377   3HG2  VAL  48          2HG2      VAL  48  -4.743  -0.526  -0.526
  378    H    LYS  49           H        LYS  49  -0.516  -2.719  -2.719
  379    HA   LYS  49           HA       LYS  49   1.060  -0.888  -0.888
  380   1HB   LYS  49          2HB       LYS  49   0.486  -3.106  -3.106
  381   2HB   LYS  49          1HB       LYS  49   1.338  -3.875  -3.875
  382   1HG   LYS  49          2HG       LYS  49   3.449  -2.708  -2.708
  383   2HG   LYS  49          1HG       LYS  49   2.522  -2.306  -2.306
  384   1HD   LYS  49          2HD       LYS  49   2.109  -4.654  -4.654
  385   2HD   LYS  49          1HD       LYS  49   2.860  -5.123  -5.123
  386   1HE   LYS  49          2HE       LYS  49   4.805  -5.305  -5.305
  387   2HE   LYS  49          1HE       LYS  49   4.796  -3.549  -3.549
  388   1HZ   LYS  49          2HZ       LYS  49   3.308  -5.302  -5.302
  389   2HZ   LYS  49          1HZ       LYS  49   4.941  -4.913  -4.913
  390   3HZ   LYS  49          3HZ       LYS  49   3.774  -3.683  -3.683
  391    H    ALA  50           H        ALA  50   1.507  -2.342  -2.342
  392    HA   ALA  50           HA       ALA  50   4.405  -1.973  -1.973
  393   1HB   ALA  50          1HB       ALA  50   2.373  -3.218  -3.218
  394   2HB   ALA  50          3HB       ALA  50   3.554  -2.304  -2.304
  395   3HB   ALA  50          2HB       ALA  50   4.090  -3.583  -3.583
  396    H    ILE  51           H        ILE  51   1.539  -0.241  -0.241
  397    HA   ILE  51           HA       ILE  51   3.022   1.679   1.679
  398    HB   ILE  51           HB       ILE  51   0.597   1.304   1.304
  399   1HG1  ILE  51          2HG1      ILE  51  -0.065   3.732   3.732
  400   2HG1  ILE  51          1HG1      ILE  51   1.415   4.110   4.110
  401   1HG2  ILE  51          1HG2      ILE  51   0.567   2.075   2.075
  402   2HG2  ILE  51          3HG2      ILE  51  -0.696   2.818   2.818
  403   3HG2  ILE  51          2HG2      ILE  51  -0.554   1.063   1.063
  404   1HD1  ILE  51          2HD1      ILE  51   2.016   2.399   2.399
  405   2HD1  ILE  51          1HD1      ILE  51   1.120   3.819   3.819
  406   3HD1  ILE  51          3HD1      ILE  51   2.625   4.014   4.014
  407    H    CYS  52           H        CYS  52   2.456   1.380   1.380
  408    HA   CYS  52           HA       CYS  52   3.398   4.160   4.160
  409   1HB   CYS  52          2HB       CYS  52   1.376   2.735   2.735
  410   2HB   CYS  52          1HB       CYS  52   2.712   2.598   2.598
  411    H    THR  53           H        THR  53   5.226   2.139   2.139
  412    HA   THR  53           HA       THR  53   6.918   1.494   1.494
  413    HB   THR  53           HB       THR  53   7.437   0.774   0.774
  414    HG1  THR  53           HG1      THR  53   6.315  -1.072  -1.072
  415   1HG2  THR  53          3HG2      THR  53   9.150   0.634   0.634
  416   2HG2  THR  53          2HG2      THR  53   8.279  -0.871  -0.871
  417   3HG2  THR  53          1HG2      THR  53   9.096  -0.613  -0.613
  418    H    GLY  54           H        GLY  54   8.295   3.129   3.129
  419   1HA   GLY  54          2HA       GLY  54  10.124   4.273   4.273
  420   2HA   GLY  54          1HA       GLY  54   8.981   5.448   5.448
  421    H    VAL  55           H        VAL  55   8.833   5.220   5.220
  422    HA   VAL  55           HA       VAL  55  11.294   4.464   4.464
  423    HB   VAL  55           HB       VAL  55  11.717   6.696   6.696
  424   1HG1  VAL  55          3HG1      VAL  55   9.486   7.646   7.646
  425   2HG1  VAL  55          2HG1      VAL  55  10.474   8.004   8.004
  426   3HG1  VAL  55          1HG1      VAL  55  10.892   8.699   8.699
  427   1HG2  VAL  55          2HG2      VAL  55  12.732   5.620   5.620
  428   2HG2  VAL  55          1HG2      VAL  55  13.472   6.889   6.889
  429   3HG2  VAL  55          3HG2      VAL  55  12.442   7.316   7.316
  430    H    ILE  56           H        ILE  56  10.973   5.968   5.968
  431    HA   ILE  56           HA       ILE  56   8.460   4.797   4.797
  432    HB   ILE  56           HB       ILE  56   9.349   5.451   5.451
  433   1HG1  ILE  56          2HG1      ILE  56  11.872   6.311   6.311
  434   2HG1  ILE  56          1HG1      ILE  56  10.586   7.478   7.478
  435   1HG2  ILE  56          1HG2      ILE  56  11.324   4.045   4.045
  436   2HG2  ILE  56          3HG2      ILE  56  11.324   3.959   3.959
  437   3HG2  ILE  56          2HG2      ILE  56   9.975   3.286   3.286
  438   1HD1  ILE  56          1HD1      ILE  56  10.632   6.665   6.665
  439   2HD1  ILE  56          3HD1      ILE  56  12.150   5.864   5.864
  440   3HD1  ILE  56          2HD1      ILE  56  12.017   7.619   7.619
  441    H    ASN  57           H        ASN  57   8.438   7.264   7.264
  442    HA   ASN  57           HA       ASN  57   6.277   8.731   8.731
  443   1HB   ASN  57          2HB       ASN  57   8.311   9.422   9.422
  444   2HB   ASN  57          1HB       ASN  57   8.771  10.403  10.403
  445   1HD2  ASN  57          2HD2      ASN  57   5.318  11.338  11.338
  446   2HD2  ASN  57          1HD2      ASN  57   5.951   9.767   9.767
  447    H    MET  58           H        MET  58   5.421   9.199   9.199
  448    HA   MET  58           HA       MET  58   6.918  10.917  10.917
  449   1HB   MET  58          2HB       MET  58   7.476   8.266   8.266
  450   2HB   MET  58          1HB       MET  58   6.108   8.406   8.406
  451   1HG   MET  58          2HG       MET  58   7.286   9.646   9.646
  452   2HG   MET  58          1HG       MET  58   8.098  10.576  10.576
  453   1HE   MET  58          2HE       MET  58   8.489   8.302   8.302
  454   2HE   MET  58          1HE       MET  58   9.541   9.706   9.706
  455   3HE   MET  58          3HE       MET  58  10.234   8.079   8.079
  456    H    ASN  59           H        ASN  59   5.670  10.819  10.819
  457    HA   ASN  59           HA       ASN  59   2.723  10.666  10.666
  458   1HB   ASN  59          2HB       ASN  59   3.526  13.039  13.039
  459   2HB   ASN  59          1HB       ASN  59   4.137  13.065  13.065
  460   1HD2  ASN  59          2HD2      ASN  59   0.998  14.044  14.044
  461   2HD2  ASN  59          1HD2      ASN  59   2.689  14.138  14.138
  462    H    VAL  60           H        VAL  60   1.945   9.501   9.501
  463    HA   VAL  60           HA       VAL  60   3.439   9.680   9.680
  464    HB   VAL  60           HB       VAL  60   4.237   7.682   7.682
  465   1HG1  VAL  60          1HG1      VAL  60   1.980   7.447   7.447
  466   2HG1  VAL  60          3HG1      VAL  60   1.448   6.559   6.559
  467   3HG1  VAL  60          2HG1      VAL  60   2.811   5.967   5.967
  468   1HG2  VAL  60          2HG2      VAL  60   3.834   7.715   7.715
  469   2HG2  VAL  60          1HG2      VAL  60   3.988   6.131   6.131
  470   3HG2  VAL  60          3HG2      VAL  60   2.394   6.753   6.753
  471    H    LEU  61           H        LEU  61   2.097   8.735   8.735
  472    HA   LEU  61           HA       LEU  61  -0.823   9.148   9.148
  473   1HB   LEU  61          2HB       LEU  61   0.735   9.954   9.954
  474   2HB   LEU  61          1HB       LEU  61  -0.982  10.237  10.237
  475    HG   LEU  61           HG       LEU  61   0.896  11.214  11.214
  476   1HD1  LEU  61          3HD1      LEU  61   1.816  11.757  11.757
  477   2HD1  LEU  61          2HD1      LEU  61   0.471  12.895  12.895
  478   3HD1  LEU  61          1HD1      LEU  61   1.700  13.052  13.052
  479   1HD2  LEU  61          2HD2      LEU  61  -1.576  11.480  11.480
  480   2HD2  LEU  61          1HD2      LEU  61  -0.732  13.028  13.028
  481   3HD2  LEU  61          3HD2      LEU  61  -1.520  12.427  12.427
  482    H    SER  62           H        SER  62  -1.838   7.217   7.217
  483    HA   SER  62           HA       SER  62  -0.903   5.077   5.077
  484   1HB   SER  62          2HB       SER  62  -3.752   5.454   5.454
  485   2HB   SER  62          1HB       SER  62  -2.888   3.957   3.957
  486    HG   SER  62           HG       SER  62  -2.642   5.732   5.732
  487    H    THR  63           H        THR  63  -0.579   6.113   6.113
  488    HA   THR  63           HA       THR  63  -2.738   7.662   7.662
  489    HB   THR  63           HB       THR  63  -0.997   7.606   7.606
  490    HG1  THR  63           HG1      THR  63   0.346   6.027   6.027
  491   1HG2  THR  63          1HG2      THR  63  -1.574   9.444   9.444
  492   2HG2  THR  63          3HG2      THR  63  -0.041   8.972   8.972
  493   3HG2  THR  63          2HG2      THR  63  -0.076   9.581   9.581
  494    H    THR  64           H        THR  64  -1.240   4.465   4.465
  495    HA   THR  64           HA       THR  64  -2.405   3.813   3.813
  496    HB   THR  64           HB       THR  64  -1.893   1.943   1.943
  497    HG1  THR  64           HG1      THR  64   0.056   1.599   1.599
  498   1HG2  THR  64          2HG2      THR  64  -2.784   1.551   1.551
  499   2HG2  THR  64          1HG2      THR  64  -1.470   0.503   0.503
  500   3HG2  THR  64          3HG2      THR  64  -3.002   0.511   0.511
  501    H    ARG  65           H        ARG  65  -3.781   1.941   1.941
  502    HA   ARG  65           HA       ARG  65  -6.291   3.196   3.196
  503   1HB   ARG  65          2HB       ARG  65  -7.706   1.735   1.735
  504   2HB   ARG  65          1HB       ARG  65  -6.646   2.792   2.792
  505   1HG   ARG  65          2HG       ARG  65  -4.986   0.758   0.758
  506   2HG   ARG  65          1HG       ARG  65  -6.444  -0.173  -0.173
  507   1HD   ARG  65          2HD       ARG  65  -6.959  -0.172  -0.172
  508   2HD   ARG  65          1HD       ARG  65  -7.018   1.591   1.591
  509    HE   ARG  65           HE       ARG  65  -4.456   0.103   0.103
  510   1HH1  ARG  65          1HH2      ARG  65  -5.124   3.204   3.204
  511   2HH1  ARG  65          2HH2      ARG  65  -4.867   3.666   3.666
  512   1HH2  ARG  65          2HH1      ARG  65  -4.834   0.407   0.407
  513   2HH2  ARG  65          1HH1      ARG  65  -4.708   2.082   2.082
  514    H    PHE  66           H        PHE  66  -6.377   2.418   2.418
  515    HA   PHE  66           HA       PHE  66  -6.051  -0.533  -0.533
  516   1HB   PHE  66          2HB       PHE  66  -6.067   1.858   1.858
  517   2HB   PHE  66          1HB       PHE  66  -6.277   0.225   0.225
  518    HD1  PHE  66           HD2      PHE  66  -3.950   2.514   2.514
  519    HD2  PHE  66           HD1      PHE  66  -4.404  -1.360  -1.360
  520    HE1  PHE  66           HE2      PHE  66  -1.508   2.158   2.158
  521    HE2  PHE  66           HE1      PHE  66  -1.961  -1.694  -1.694
  522    HZ   PHE  66           HZ       PHE  66  -0.511   0.059   0.059
  523    H    GLN  67           H        GLN  67  -8.297   0.166   0.166
  524    HA   GLN  67           HA       GLN  67 -10.700   0.526   0.526
  525   1HB   GLN  67          2HB       GLN  67  -9.951  -2.274  -2.274
  526   2HB   GLN  67          1HB       GLN  67 -11.581  -1.813  -1.813
  527   1HG   GLN  67          2HG       GLN  67  -9.437  -0.940  -0.940
  528   2HG   GLN  67          1HG       GLN  67  -9.653  -2.686  -2.686
  529   1HE2  GLN  67          2HE2      GLN  67 -13.047  -2.549  -2.549
  530   2HE2  GLN  67          1HE2      GLN  67 -12.105  -3.375  -3.375
  531    H    LEU  68           H        LEU  68 -11.767   1.812   1.812
  532    HA   LEU  68           HA       LEU  68 -11.978   0.713   0.713
  533   1HB   LEU  68          2HB       LEU  68 -12.880   3.054   3.054
  534   2HB   LEU  68          1HB       LEU  68 -11.173   2.908   2.908
  535    HG   LEU  68           HG       LEU  68 -11.456   3.892   3.892
  536   1HD1  LEU  68          1HD1      LEU  68 -14.409   3.445   3.445
  537   2HD1  LEU  68          3HD1      LEU  68 -13.822   4.606   4.606
  538   3HD1  LEU  68          2HD1      LEU  68 -13.427   2.897   2.897
  539   1HD2  LEU  68          3HD2      LEU  68 -11.788   5.314   5.314
  540   2HD2  LEU  68          2HD2      LEU  68 -12.121   6.053   6.053
  541   3HD2  LEU  68          1HD2      LEU  68 -13.449   5.461   5.461
  542    H    ASN  69           H        ASN  69 -13.968   0.789   0.789
  543    HA   ASN  69           HA       ASN  69 -16.432   0.693   0.693
  544   1HB   ASN  69          2HB       ASN  69 -15.527  -1.501  -1.501
  545   2HB   ASN  69          1HB       ASN  69 -16.254  -0.757  -0.757
  546   1HD2  ASN  69          2HD2      ASN  69 -19.600  -0.845  -0.845
  547   2HD2  ASN  69          1HD2      ASN  69 -18.605   0.247   0.247
  548    H    THR  70           H        THR  70 -17.133   2.825   2.825
  549    HA   THR  70           HA       THR  70 -17.038   3.776   3.776
  550    HB   THR  70           HB       THR  70 -17.789   5.353   5.353
  551    HG1  THR  70           HG1      THR  70 -15.762   4.934   4.934
  552   1HG2  THR  70          3HG2      THR  70 -17.383   5.925   5.925
  553   2HG2  THR  70          2HG2      THR  70 -16.628   7.063   7.063
  554   3HG2  THR  70          1HG2      THR  70 -18.366   6.774   6.774
  555    H    CYS  71           H        CYS  71 -18.747   3.795   3.795
  556    HA   CYS  71           HA       CYS  71 -21.494   3.704   3.704
  557   1HB   CYS  71          2HB       CYS  71 -20.513   2.912   2.912
  558   2HB   CYS  71          1HB       CYS  71 -22.213   3.013   3.013
  559    H    THR  72           H        THR  72 -22.191   5.800   5.800
  560    HA   THR  72           HA       THR  72 -21.136   7.751   7.751
  561    HB   THR  72           HB       THR  72 -22.745   8.526   8.526
  562    HG1  THR  72           HG1      THR  72 -21.251   7.695   7.695
  563   1HG2  THR  72          1HG2      THR  72 -20.514   9.784   9.784
  564   2HG2  THR  72          3HG2      THR  72 -21.126  10.459  10.459
  565   3HG2  THR  72          2HG2      THR  72 -22.191  10.322  10.322
  566    H    ARG  73           H        ARG  73 -22.443   8.960   8.960
  567    HA   ARG  73           HA       ARG  73 -25.098   7.968   7.968
  568   1HB   ARG  73          2HB       ARG  73 -23.540   8.915   8.915
  569   2HB   ARG  73          1HB       ARG  73 -23.749  10.502  10.502
  570   1HG   ARG  73          2HG       ARG  73 -26.250   9.046   9.046
  571   2HG   ARG  73          1HG       ARG  73 -25.291   9.606   9.606
  572   1HD   ARG  73          2HD       ARG  73 -25.222  11.884  11.884
  573   2HD   ARG  73          1HD       ARG  73 -26.366  11.289  11.289
  574    HE   ARG  73           HE       ARG  73 -27.285  10.861  10.861
  575   1HH1  ARG  73          2HH1      ARG  73 -28.852  11.608  11.608
  576   2HH1  ARG  73          1HH1      ARG  73 -29.417  13.188  13.188
  577   1HH2  ARG  73          1HH2      ARG  73 -27.210  13.543  13.543
  578   2HH2  ARG  73          2HH2      ARG  73 -28.484  14.286  14.286
  579    H    THR  74           H        THR  74 -26.675   8.374   8.374
  580    HA   THR  74           HA       THR  74 -27.156  11.218  11.218
  581    HB   THR  74           HB       THR  74 -27.857  10.200  10.200
  582    HG1  THR  74           HG1      THR  74 -27.207   8.246   8.246
  583   1HG2  THR  74          1HG2      THR  74 -25.715  11.620  11.620
  584   2HG2  THR  74          3HG2      THR  74 -24.908  10.180  10.180
  585   3HG2  THR  74          2HG2      THR  74 -25.943  11.135  11.135
  586    H    SER  75           H        SER  75 -28.810   8.305   8.305
  587    HA   SER  75           HA       SER  75 -30.999   8.312   8.312
  588   1HB   SER  75          2HB       SER  75 -31.131  10.516  10.516
  589   2HB   SER  75          1HB       SER  75 -32.018   9.365   9.365
  590    HG   SER  75           HG       SER  75 -32.561  10.313  10.313
  591    H    ILE  76           H        ILE  76 -31.263   6.121   6.121
  592    HA   ILE  76           HA       ILE  76 -32.543   4.871   4.871
  593    HB   ILE  76           HB       ILE  76 -30.334   5.169   5.169
  594   1HG1  ILE  76          2HG1      ILE  76 -29.918   2.731   2.731
  595   2HG1  ILE  76          1HG1      ILE  76 -31.106   2.330   2.330
  596   1HG2  ILE  76          2HG2      ILE  76 -29.355   3.513   3.513
  597   2HG2  ILE  76          1HG2      ILE  76 -28.412   3.827   3.827
  598   3HG2  ILE  76          3HG2      ILE  76 -28.878   5.163   5.163
  599   1HD1  ILE  76          2HD1      ILE  76 -31.754   4.246   4.246
  600   2HD1  ILE  76          1HD1      ILE  76 -31.946   2.503   2.503
  601   3HD1  ILE  76          3HD1      ILE  76 -32.870   3.361   3.361
  602    H    THR  77           H        THR  77 -33.039   2.644   2.644
  603    HA   THR  77           HA       THR  77 -33.623   0.905   0.905
  604    HB   THR  77           HB       THR  77 -31.479   0.660   0.660
  605    HG1  THR  77           HG1      THR  77 -29.734   1.306   1.306
  606   1HG2  THR  77          1HG2      THR  77 -32.499  -0.657  -0.657
  607   2HG2  THR  77          3HG2      THR  77 -30.779  -0.923  -0.923
  608   3HG2  THR  77          2HG2      THR  77 -31.958  -1.359  -1.359
  609    HA   PRO  78           HA       PRO  78 -35.187   2.544   2.544
  610   1HB   PRO  78          2HB       PRO  78 -35.241   0.396   0.396
  611   2HB   PRO  78          1HB       PRO  78 -36.345   0.583   0.583
  612   1HG   PRO  78          2HG       PRO  78 -34.002  -1.236  -1.236
  613   2HG   PRO  78          1HG       PRO  78 -35.447  -1.418  -1.418
  614   1HD   PRO  78          2HD       PRO  78 -32.887  -0.582  -0.582
  615   2HD   PRO  78          1HD       PRO  78 -34.409  -0.498  -0.498
  616    H    ARG  79           H        ARG  79 -33.154   0.191   0.191
  617    HA   ARG  79           HA       ARG  79 -31.591   2.444   2.444
  618   1HB   ARG  79          2HB       ARG  79 -33.337   0.469   0.469
  619   2HB   ARG  79          1HB       ARG  79 -31.707   0.361   0.361
  620   1HG   ARG  79          2HG       ARG  79 -31.971   2.274   2.274
  621   2HG   ARG  79          1HG       ARG  79 -32.506   3.142   3.142
  622   1HD   ARG  79          2HD       ARG  79 -34.772   1.972   1.972
  623   2HD   ARG  79          1HD       ARG  79 -34.177   1.558   1.558
  624    HE   ARG  79           HE       ARG  79 -34.371   4.390   4.390
  625   1HH1  ARG  79          2HH1      ARG  79 -32.956   3.996   3.996
  626   2HH1  ARG  79          1HH1      ARG  79 -34.225   4.142   4.142
  627   1HH2  ARG  79          1HH2      ARG  79 -36.770   3.689   3.689
  628   2HH2  ARG  79          2HH2      ARG  79 -36.380   3.973   3.973
  629    HA   PRO  80           HA       PRO  80 -30.243   1.653   1.653
  630   1HB   PRO  80          2HB       PRO  80 -27.629   2.431   2.431
  631   2HB   PRO  80          1HB       PRO  80 -28.271   0.874   0.874
  632   1HG   PRO  80          2HG       PRO  80 -26.569   1.469   1.469
  633   2HG   PRO  80          1HG       PRO  80 -26.646   0.000   0.000
  634   1HD   PRO  80          2HD       PRO  80 -27.841   0.298   0.298
  635   2HD   PRO  80          1HD       PRO  80 -28.294  -0.928  -0.928
  636    H    CYS  81           H        CYS  81 -27.701   2.995   2.995
  637    HA   CYS  81           HA       CYS  81 -29.178   5.588   5.588
  638   1HB   CYS  81          2HB       CYS  81 -26.268   4.859   4.859
  639   2HB   CYS  81          1HB       CYS  81 -26.767   6.354   6.354
  640    HA   PRO  82           HA       PRO  82 -29.679   5.081   5.081
  641   1HB   PRO  82          2HB       PRO  82 -29.469   7.668   7.668
  642   2HB   PRO  82          1HB       PRO  82 -30.909   7.033   7.033
  643   1HG   PRO  82          2HG       PRO  82 -28.772   8.832   8.832
  644   2HG   PRO  82          1HG       PRO  82 -30.491   8.754   8.754
  645   1HD   PRO  82          2HD       PRO  82 -28.432   7.685   7.685
  646   2HD   PRO  82          1HD       PRO  82 -30.137   7.192   7.192
  647    H    TYR  83           H        TYR  83 -28.008   4.091   4.091
  648    HA   TYR  83           HA       TYR  83 -25.640   5.753   5.753
  649   1HB   TYR  83          2HB       TYR  83 -25.591   3.175   3.175
  650   2HB   TYR  83          1HB       TYR  83 -24.319   3.488   3.488
  651    HD1  TYR  83           HD2      TYR  83 -26.110   5.148   5.148
  652    HD2  TYR  83           HD1      TYR  83 -22.481   4.735   4.735
  653    HE1  TYR  83           HE2      TYR  83 -24.938   6.633   6.633
  654    HE2  TYR  83           HE1      TYR  83 -21.323   6.220   6.220
  655    HH   TYR  83           HH       TYR  83 -21.511   7.000   7.000
  656    H    SER  84           H        SER  84 -25.019   5.487   5.487
  657    HA   SER  84           HA       SER  84 -26.285   3.262   3.262
  658   1HB   SER  84          2HB       SER  84 -25.600   4.825   4.825
  659   2HB   SER  84          1HB       SER  84 -26.970   5.319   5.319
  660    HG   SER  84           HG       SER  84 -25.806   7.081   7.081
  661    H    SER  85           H        SER  85 -24.903   1.747   1.747
  662    HA   SER  85           HA       SER  85 -22.017   2.078   2.078
  663   1HB   SER  85          2HB       SER  85 -21.875  -0.308  -0.308
  664   2HB   SER  85          1HB       SER  85 -23.149  -0.036  -0.036
  665    HG   SER  85           HG       SER  85 -24.121  -1.236  -1.236
  666    H    ARG  86           H        ARG  86 -20.455   2.199   2.199
  667    HA   ARG  86           HA       ARG  86 -21.097   1.849   1.849
  668   1HB   ARG  86          2HB       ARG  86 -21.367   4.357   4.357
  669   2HB   ARG  86          1HB       ARG  86 -19.624   4.354   4.354
  670   1HG   ARG  86          2HG       ARG  86 -20.595   5.106   5.106
  671   2HG   ARG  86          1HG       ARG  86 -20.123   3.430   3.430
  672   1HD   ARG  86          2HD       ARG  86 -22.360   2.652   2.652
  673   2HD   ARG  86          1HD       ARG  86 -22.901   4.176   4.176
  674    HE   ARG  86           HE       ARG  86 -23.219   4.953   4.953
  675   1HH1  ARG  86          1HH2      ARG  86 -20.530   5.132   5.132
  676   2HH1  ARG  86          2HH2      ARG  86 -20.433   3.920   3.920
  677   1HH2  ARG  86          2HH1      ARG  86 -23.248   2.211   2.211
  678   2HH2  ARG  86          1HH1      ARG  86 -21.968   2.263   2.263
  679    H    THR  87           H        THR  87 -19.089   1.723   1.723
  680    HA   THR  87           HA       THR  87 -16.577   1.364   1.364
  681    HB   THR  87           HB       THR  87 -17.524  -0.646  -0.646
  682    HG1  THR  87           HG1      THR  87 -18.901  -0.905  -0.905
  683   1HG2  THR  87          1HG2      THR  87 -15.273  -0.546  -0.546
  684   2HG2  THR  87          3HG2      THR  87 -15.771  -2.035  -2.035
  685   3HG2  THR  87          2HG2      THR  87 -15.146  -0.688  -0.688
  686    H    GLU  88           H        GLU  88 -14.665   1.715   1.715
  687    HA   GLU  88           HA       GLU  88 -14.577   2.002   2.002
  688   1HB   GLU  88          2HB       GLU  88 -14.351   4.500   4.500
  689   2HB   GLU  88          1HB       GLU  88 -15.979   3.955   3.955
  690   1HG   GLU  88          2HG       GLU  88 -15.322   4.214   4.214
  691   2HG   GLU  88          1HG       GLU  88 -13.878   5.054   5.054
  692    H    THR  89           H        THR  89 -12.577   3.626   3.626
  693    HA   THR  89           HA       THR  89 -10.208   2.420   2.420
  694    HB   THR  89           HB       THR  89 -10.532   5.275   5.275
  695    HG1  THR  89           HG1      THR  89 -10.140   2.803   2.803
  696   1HG2  THR  89          3HG2      THR  89  -8.255   3.893   3.893
  697   2HG2  THR  89          2HG2      THR  89  -8.154   3.838   3.838
  698   3HG2  THR  89          1HG2      THR  89  -8.287   5.389   5.389
  699    H    ASN  90           H        ASN  90  -8.794   2.870   2.870
  700    HA   ASN  90           HA       ASN  90  -9.826   4.890   4.890
  701   1HB   ASN  90          2HB       ASN  90  -9.751   2.447   2.447
  702   2HB   ASN  90          1HB       ASN  90  -7.996   2.609   2.609
  703   1HD2  ASN  90          2HD2      ASN  90  -8.195   3.845   3.845
  704   2HD2  ASN  90          1HD2      ASN  90  -7.515   2.707   2.707
  705    H    TYR  91           H        TYR  91  -8.723   6.641   6.641
  706    HA   TYR  91           HA       TYR  91  -5.743   6.639   6.639
  707   1HB   TYR  91          2HB       TYR  91  -6.098   9.113   9.113
  708   2HB   TYR  91          1HB       TYR  91  -6.161   7.784   7.784
  709    HD1  TYR  91           HD1      TYR  91  -8.355   6.946   6.946
  710    HD2  TYR  91           HD2      TYR  91  -8.045  10.425  10.425
  711    HE1  TYR  91           HE1      TYR  91 -10.647   7.618   7.618
  712    HE2  TYR  91           HE2      TYR  91 -10.338  11.101  11.101
  713    HH   TYR  91           HH       TYR  91 -12.527   9.113   9.113
  714    H    ILE  92           H        ILE  92  -5.383   6.771   6.771
  715    HA   ILE  92           HA       ILE  92  -6.855   8.891   8.891
  716    HB   ILE  92           HB       ILE  92  -7.551   6.651   6.651
  717   1HG1  ILE  92          2HG1      ILE  92  -5.795   6.901   6.901
  718   2HG1  ILE  92          1HG1      ILE  92  -6.423   8.468   8.468
  719   1HG2  ILE  92          1HG2      ILE  92  -4.585   6.125   6.125
  720   2HG2  ILE  92          3HG2      ILE  92  -5.801   5.059   5.059
  721   3HG2  ILE  92          2HG2      ILE  92  -5.753   5.313   5.313
  722   1HD1  ILE  92          3HD1      ILE  92  -8.727   7.352   7.352
  723   2HD1  ILE  92          2HD1      ILE  92  -7.985   5.988   5.988
  724   3HD1  ILE  92          1HD1      ILE  92  -8.042   7.571   7.571
  725    H    CYS  93           H        CYS  93  -5.742  10.036  10.036
  726    HA   CYS  93           HA       CYS  93  -2.769  10.179  10.179
  727   1HB   CYS  93          2HB       CYS  93  -4.285  12.263  12.263
  728   2HB   CYS  93          1HB       CYS  93  -4.600  11.944  11.944
  729    H    VAL  94           H        VAL  94  -1.472   9.440   9.440
  730    HA   VAL  94           HA       VAL  94  -2.783   8.612   8.612
  731    HB   VAL  94           HB       VAL  94  -1.963   6.365   6.365
  732   1HG1  VAL  94          3HG1      VAL  94  -2.897   7.254   7.254
  733   2HG1  VAL  94          2HG1      VAL  94  -2.850   5.583   5.583
  734   3HG1  VAL  94          1HG1      VAL  94  -3.924   6.741   6.741
  735   1HG2  VAL  94          2HG2      VAL  94  -0.324   7.360   7.360
  736   2HG2  VAL  94          1HG2      VAL  94   0.283   6.709   6.709
  737   3HG2  VAL  94          3HG2      VAL  94  -0.539   5.652   5.652
  738    H    LYS  95           H        LYS  95  -0.847   7.532   7.532
  739    HA   LYS  95           HA       LYS  95   1.645   9.047   9.047
  740   1HB   LYS  95          2HB       LYS  95  -0.327   9.461   9.461
  741   2HB   LYS  95          1HB       LYS  95   1.398   9.655   9.655
  742   1HG   LYS  95          2HG       LYS  95   1.575  11.304  11.304
  743   2HG   LYS  95          1HG       LYS  95  -0.126  11.077  11.077
  744   1HD   LYS  95          2HD       LYS  95   0.611  11.830  11.830
  745   2HD   LYS  95          1HD       LYS  95   0.605  13.077  13.077
  746   1HE   LYS  95          2HE       LYS  95  -1.708  12.566  12.566
  747   2HE   LYS  95          1HE       LYS  95  -1.720  11.222  11.222
  748   1HZ   LYS  95          2HZ       LYS  95  -1.015  13.051  13.051
  749   2HZ   LYS  95          1HZ       LYS  95  -1.696  14.112  14.112
  750   3HZ   LYS  95          3HZ       LYS  95  -2.649  12.896  12.896
  751    H    CYS  96           H        CYS  96   3.403   8.079   8.079
  752    HA   CYS  96           HA       CYS  96   2.761   5.360   5.360
  753   1HB   CYS  96          2HB       CYS  96   5.442   6.051   6.051
  754   2HB   CYS  96          1HB       CYS  96   4.654   4.482   4.482
  755    H    GLU  97           H        GLU  97   3.088   5.145   5.145
  756    HA   GLU  97           HA       GLU  97   5.494   6.350   6.350
  757   1HB   GLU  97          2HB       GLU  97   3.500   7.507   7.507
  758   2HB   GLU  97          1HB       GLU  97   2.740   5.959   5.959
  759   1HG   GLU  97          2HG       GLU  97   4.203   5.499   5.499
  760   2HG   GLU  97          1HG       GLU  97   5.453   6.571   6.571
  761    H    ASN  98           H        ASN  98   6.590   4.708   4.708
  762    HA   ASN  98           HA       ASN  98   7.201   2.432   2.432
  763   1HB   ASN  98          2HB       ASN  98   4.209   2.480   2.480
  764   2HB   ASN  98          1HB       ASN  98   5.054   0.932   0.932
  765   1HD2  ASN  98          2HD2      ASN  98   5.731   1.463   1.463
  766   2HD2  ASN  98          1HD2      ASN  98   5.098   0.432   0.432
  767    H    GLN  99           H        GLN  99   6.668   3.457   3.457
  768    HA   GLN  99           HA       GLN  99   6.532   2.886   2.886
  769   1HB   GLN  99          2HB       GLN  99   7.631   0.818   0.818
  770   2HB   GLN  99          1HB       GLN  99   8.539   1.598   1.598
  771   1HG   GLN  99          2HG       GLN  99   7.773   0.022   0.022
  772   2HG   GLN  99          1HG       GLN  99   6.542  -0.611  -0.611
  773   1HE2  GLN  99          2HE2      GLN  99  10.189  -2.244  -2.244
  774   2HE2  GLN  99          1HE2      GLN  99   9.642  -1.203  -1.203
  775    H    TYR 100           H        TYR 100   4.155   1.926   1.926
  776    HA   TYR 100           HA       TYR 100   2.782   0.490   0.490
  777   1HB   TYR 100          2HB       TYR 100   1.886  -1.006  -1.006
  778   2HB   TYR 100          1HB       TYR 100   2.996  -0.390  -0.390
  779    HD1  TYR 100           HD2      TYR 100  -0.407   0.389   0.389
  780    HD2  TYR 100           HD1      TYR 100   2.099   0.415   0.415
  781    HE1  TYR 100           HE2      TYR 100  -2.312   1.215   1.215
  782    HE2  TYR 100           HE1      TYR 100   0.189   1.228   1.228
  783    HH   TYR 100           HH       TYR 100  -2.655   2.439   2.439
  784    HA   PRO 101           HA       PRO 101   0.542   4.260   4.260
  785   1HB   PRO 101          2HB       PRO 101  -1.963   3.290   3.290
  786   2HB   PRO 101          1HB       PRO 101  -0.616   3.476   3.476
  787   1HG   PRO 101          2HG       PRO 101  -1.616   0.991   0.991
  788   2HG   PRO 101          1HG       PRO 101  -0.946   1.179   1.179
  789   1HD   PRO 101          2HD       PRO 101   0.521   0.153   0.153
  790   2HD   PRO 101          1HD       PRO 101   1.257   1.073   1.073
  791    H    VAL 102           H        VAL 102   0.684   4.797   4.797
  792    HA   VAL 102           HA       VAL 102  -1.271   3.768   3.768
  793    HB   VAL 102           HB       VAL 102   0.988   5.783   5.783
  794   1HG1  VAL 102          3HG1      VAL 102  -0.879   6.332   6.332
  795   2HG1  VAL 102          2HG1      VAL 102  -0.596   4.751   4.751
  796   3HG1  VAL 102          1HG1      VAL 102   0.679   5.966   5.966
  797   1HG2  VAL 102          2HG2      VAL 102   1.122   3.094   3.094
  798   2HG2  VAL 102          1HG2      VAL 102   2.246   4.071   4.071
  799   3HG2  VAL 102          3HG2      VAL 102   0.880   3.306   3.306
  800    H    HIS 103           H        HIS 103  -1.043   6.460   6.460
  801    HA   HIS 103           HA       HIS 103  -3.490   7.583   7.583
  802   1HB   HIS 103          2HB       HIS 103  -1.936   9.760   9.760
  803   2HB   HIS 103          1HB       HIS 103  -2.443   9.518   9.518
  804    HD1  HIS 103           HD1      HIS 103  -0.447   9.516   9.516
  805    HD2  HIS 103           HD2      HIS 103   0.499   7.804   7.804
  806    HE1  HIS 103           HE1      HIS 103   1.962   8.703   8.703
  807    H    PHE 104           H        PHE 104  -5.052   8.125   8.125
  808    HA   PHE 104           HA       PHE 104  -4.209   8.064   8.064
  809   1HB   PHE 104          2HB       PHE 104  -6.121   6.371   6.371
  810   2HB   PHE 104          1HB       PHE 104  -6.928   7.298   7.298
  811    HD1  PHE 104           HD1      PHE 104  -3.610   5.560   5.560
  812    HD2  PHE 104           HD2      PHE 104  -7.006   6.284   6.284
  813    HE1  PHE 104           HE1      PHE 104  -2.671   4.046   4.046
  814    HE2  PHE 104           HE2      PHE 104  -6.069   4.752   4.752
  815    HZ   PHE 104           HZ       PHE 104  -3.900   3.629   3.629
  816    H    ALA 105           H        ALA 105  -4.817   9.840   9.840
  817    HA   ALA 105           HA       ALA 105  -6.350  11.958  11.958
  818   1HB   ALA 105          3HB       ALA 105  -4.284  11.903  11.903
  819   2HB   ALA 105          2HB       ALA 105  -5.686  12.642  12.642
  820   3HB   ALA 105          1HB       ALA 105  -5.049  13.316  13.316
  821    H    GLY 106           H        GLY 106  -6.735   9.914   9.914
  822   1HA   GLY 106          2HA       GLY 106  -9.169   9.194   9.194
  823   2HA   GLY 106          1HA       GLY 106  -9.567  10.898  10.898
  824    H    ILE 107           H        ILE 107  -9.407  12.241  12.241
  825    HA   ILE 107           HA       ILE 107  -9.499  11.140  11.140
  826    HB   ILE 107           HB       ILE 107  -9.222  13.506  13.506
  827   1HG1  ILE 107          2HG1      ILE 107  -9.032  14.195  14.195
  828   2HG1  ILE 107          1HG1      ILE 107  -7.595  14.028  14.028
  829   1HG2  ILE 107          1HG2      ILE 107 -11.420  12.607  12.607
  830   2HG2  ILE 107          3HG2      ILE 107 -11.059  13.152  13.152
  831   3HG2  ILE 107          2HG2      ILE 107 -11.258  14.330  14.330
  832   1HD1  ILE 107          2HD1      ILE 107  -9.690  15.703  15.703
  833   2HD1  ILE 107          1HD1      ILE 107  -9.055  16.347  16.347
  834   3HD1  ILE 107          3HD1      ILE 107  -7.962  16.011  16.011
  835    H    GLY 108           H        GLY 108  -8.013  11.077  11.077
  836   1HA   GLY 108          2HA       GLY 108  -5.273  10.520  10.520
  837   2HA   GLY 108          1HA       GLY 108  -5.916  10.631  10.631
  838    H    ARG 109           H        ARG 109  -6.939  13.324  13.324
  839    HA   ARG 109           HA       ARG 109  -4.596  14.816  14.816
  840   1HB   ARG 109          2HB       ARG 109  -7.454  15.568  15.568
  841   2HB   ARG 109          1HB       ARG 109  -6.239  16.807  16.807
  842   1HG   ARG 109          2HG       ARG 109  -6.244  14.549  14.549
  843   2HG   ARG 109          1HG       ARG 109  -7.685  15.564  15.564
  844   1HD   ARG 109          2HD       ARG 109  -6.275  16.678  16.678
  845   2HD   ARG 109          1HD       ARG 109  -5.965  17.546  17.546
  846    HE   ARG 109           HE       ARG 109  -3.934  16.011  16.011
  847   1HH1  ARG 109          1HH2      ARG 109  -3.422  14.204  14.204
  848   2HH1  ARG 109          2HH2      ARG 109  -2.884  14.981  14.981
  849   1HH2  ARG 109          2HH1      ARG 109  -4.101  18.101  18.101
  850   2HH2  ARG 109          1HH1      ARG 109  -3.272  17.189  17.189
  851    H    CYS 110           H        CYS 110  -3.081  15.498  15.498
  852    HA   CYS 110           HA       CYS 110  -3.864  16.443  16.443
  853   1HB   CYS 110          2HB       CYS 110  -2.203  14.236  14.236
  854   2HB   CYS 110          1HB       CYS 110  -1.169  15.453  15.453
  855    HA   PRO 111           HA       PRO 111  -1.350  19.995  19.995
  856   1HB   PRO 111          2HB       PRO 111  -0.111  20.596  20.596
  857   2HB   PRO 111          1HB       PRO 111  -1.834  20.892  20.892
  858   1HG   PRO 111          2HG       PRO 111  -0.551  18.756  18.756
  859   2HG   PRO 111          1HG       PRO 111  -2.147  19.503  19.503
  860   1HD   PRO 111          1HD       PRO 111  -1.633  16.980  16.980
  861   2HD   PRO 111          2HD       PRO 111  -3.147  17.898  17.898

  Start of MODEL   14
    1    HN   PCA   1           HN       PCA   1  -4.165   3.657   3.657
    2    HA   PCA   1           HA       PCA   1  -1.836   4.709   4.709
    3   1HB   PCA   1          1HB       PCA   1  -1.233   5.898   5.898
    4   2HB   PCA   1          2HB       PCA   1  -1.290   4.426   4.426
    5   1HG   PCA   1          1HG       PCA   1  -3.199   6.581   6.581
    6   2HG   PCA   1          2HG       PCA   1  -3.245   5.127   5.127
    7    H    ASN   2           H        ASN   2  -3.352   2.125   2.125
    8    HA   ASN   2           HA       ASN   2  -0.927   0.471   0.471
    9   1HB   ASN   2          2HB       ASN   2  -2.449   0.326   0.326
   10   2HB   ASN   2          1HB       ASN   2  -3.803  -0.034  -0.034
   11   1HD2  ASN   2          2HD2      ASN   2  -1.015  -2.992  -2.992
   12   2HD2  ASN   2          1HD2      ASN   2  -0.543  -1.365  -1.365
   13    H    TRP   3           H        TRP   3  -0.777  -1.585  -1.585
   14    HA   TRP   3           HA       TRP   3  -1.596  -1.492  -1.492
   15   1HB   TRP   3          2HB       TRP   3   0.350  -2.855  -2.855
   16   2HB   TRP   3          1HB       TRP   3  -0.698  -4.123  -4.123
   17    HD1  TRP   3           HD1      TRP   3   2.350  -2.621  -2.621
   18    HE1  TRP   3           HE1      TRP   3   2.926  -2.746  -2.746
   19    HE3  TRP   3           HE3      TRP   3  -2.311  -3.520  -3.520
   20    HZ2  TRP   3           HZ2      TRP   3   1.628  -3.181  -3.181
   21    HZ3  TRP   3           HZ3      TRP   3  -2.579  -3.807  -3.807
   22    HH2  TRP   3           HH2      TRP   3  -0.615  -3.640  -3.640
   23    H    ALA   4           H        ALA   4  -2.583  -3.508  -3.508
   24    HA   ALA   4           HA       ALA   4  -4.373  -5.235  -5.235
   25   1HB   ALA   4          2HB       ALA   4  -3.415  -5.462  -5.462
   26   2HB   ALA   4          1HB       ALA   4  -4.783  -4.458  -4.458
   27   3HB   ALA   4          3HB       ALA   4  -5.063  -6.017  -6.017
   28    H    THR   5           H        THR   5  -5.091  -2.391  -2.391
   29    HA   THR   5           HA       THR   5  -7.889  -2.295  -2.295
   30    HB   THR   5           HB       THR   5  -6.232   0.120   0.120
   31    HG1  THR   5           HG1      THR   5  -5.911  -0.715  -0.715
   32   1HG2  THR   5          2HG2      THR   5  -8.661   0.359   0.359
   33   2HG2  THR   5          1HG2      THR   5  -9.025  -0.773  -0.773
   34   3HG2  THR   5          3HG2      THR   5  -8.280   0.784   0.784
   35    H    PHE   6           H        PHE   6  -4.983  -1.071  -1.071
   36    HA   PHE   6           HA       PHE   6  -6.413   0.628   0.628
   37   1HB   PHE   6          2HB       PHE   6  -4.103   1.147   1.147
   38   2HB   PHE   6          1HB       PHE   6  -3.609  -0.415  -0.415
   39    HD1  PHE   6           HD2      PHE   6  -3.910  -0.906  -0.906
   40    HD2  PHE   6           HD1      PHE   6  -4.533   3.052   3.052
   41    HE1  PHE   6           HE2      PHE   6  -3.714   0.033   0.033
   42    HE2  PHE   6           HE1      PHE   6  -4.336   4.005   4.005
   43    HZ   PHE   6           HZ       PHE   6  -3.926   2.475   2.475
   44    H    GLN   7           H        GLN   7  -5.696  -2.737  -2.737
   45    HA   GLN   7           HA       GLN   7  -5.779  -3.415  -3.415
   46   1HB   GLN   7          2HB       GLN   7  -5.076  -4.945  -4.945
   47   2HB   GLN   7          1HB       GLN   7  -6.804  -5.205  -5.205
   48   1HG   GLN   7          2HG       GLN   7  -7.037  -6.045  -6.045
   49   2HG   GLN   7          1HG       GLN   7  -5.339  -5.698  -5.698
   50   1HE2  GLN   7          2HE2      GLN   7  -6.052  -8.713  -8.713
   51   2HE2  GLN   7          1HE2      GLN   7  -7.026  -7.323  -7.323
   52    H    GLN   8           H        GLN   8  -8.178  -2.973  -2.973
   53    HA   GLN   8           HA       GLN   8 -10.423  -3.574  -3.574
   54   1HB   GLN   8          2HB       GLN   8 -10.116  -2.633  -2.633
   55   2HB   GLN   8          1HB       GLN   8 -11.632  -2.276  -2.276
   56   1HG   GLN   8          2HG       GLN   8 -12.224  -4.358  -4.358
   57   2HG   GLN   8          1HG       GLN   8 -11.302  -4.886  -4.886
   58   1HE2  GLN   8          2HE2      GLN   8  -9.266  -6.796  -6.796
   59   2HE2  GLN   8          1HE2      GLN   8 -10.238  -6.743  -6.743
   60    H    LYS   9           H        LYS   9  -8.589  -0.769  -0.769
   61    HA   LYS   9           HA       LYS   9 -10.147   1.402   1.402
   62   1HB   LYS   9          2HB       LYS   9  -7.935   1.739   1.739
   63   2HB   LYS   9          1HB       LYS   9  -7.166   1.094   1.094
   64   1HG   LYS   9          2HG       LYS   9  -7.030   3.232   3.232
   65   2HG   LYS   9          1HG       LYS   9  -8.758   3.117   3.117
   66   1HD   LYS   9          2HD       LYS   9  -9.350   4.136   4.136
   67   2HD   LYS   9          1HD       LYS   9  -7.758   3.844   3.844
   68   1HE   LYS   9          2HE       LYS   9  -7.255   5.962   5.962
   69   2HE   LYS   9          1HE       LYS   9  -7.188   5.352   5.352
   70   1HZ   LYS   9          1HZ       LYS   9  -9.697   6.262   6.262
   71   2HZ   LYS   9          3HZ       LYS   9  -8.698   7.289   7.289
   72   3HZ   LYS   9          2HZ       LYS   9  -9.424   5.942   5.942
   73    H    HIS  10           H        HIS  10  -7.899  -0.037  -0.037
   74    HA   HIS  10           HA       HIS  10  -9.802   0.947   0.947
   75   1HB   HIS  10          2HB       HIS  10  -6.806   0.605   0.605
   76   2HB   HIS  10          1HB       HIS  10  -7.770   0.844   0.844
   77    HD1  HIS  10           HD1      HIS  10  -9.504   2.960   2.960
   78    HD2  HIS  10           HD2      HIS  10  -6.308   2.983   2.983
   79    HE1  HIS  10           HE1      HIS  10  -9.422   5.285   5.285
   80    H    ILE  11           H        ILE  11  -8.306  -2.008  -2.008
   81    HA   ILE  11           HA       ILE  11  -9.084  -3.391  -3.391
   82    HB   ILE  11           HB       ILE  11  -7.791  -4.671  -4.671
   83   1HG1  ILE  11          2HG1      ILE  11  -6.412  -2.764  -2.764
   84   2HG1  ILE  11          1HG1      ILE  11  -5.639  -4.288  -4.288
   85   1HG2  ILE  11          2HG2      ILE  11  -8.918  -5.867  -5.867
   86   2HG2  ILE  11          1HG2      ILE  11  -7.335  -5.529  -5.529
   87   3HG2  ILE  11          3HG2      ILE  11  -7.464  -6.496  -6.496
   88   1HD1  ILE  11          1HD1      ILE  11  -7.257  -3.732  -3.732
   89   2HD1  ILE  11          3HD1      ILE  11  -6.634  -2.149  -2.149
   90   3HD1  ILE  11          2HD1      ILE  11  -5.517  -3.462  -3.462
   91    H    ILE  12           H        ILE  12 -11.419  -2.656  -2.656
   92    HA   ILE  12           HA       ILE  12 -12.603  -4.823  -4.823
   93    HB   ILE  12           HB       ILE  12 -14.035  -2.526  -2.526
   94   1HG1  ILE  12          2HG1      ILE  12 -13.939  -1.762  -1.762
   95   2HG1  ILE  12          1HG1      ILE  12 -12.394  -2.601  -2.601
   96   1HG2  ILE  12          3HG2      ILE  12 -15.286  -4.583  -4.583
   97   2HG2  ILE  12          2HG2      ILE  12 -14.825  -4.008  -4.008
   98   3HG2  ILE  12          1HG2      ILE  12 -15.835  -3.003  -3.003
   99   1HD1  ILE  12          1HD1      ILE  12 -13.146  -0.681  -0.681
  100   2HD1  ILE  12          3HD1      ILE  12 -12.599  -0.025  -0.025
  101   3HD1  ILE  12          2HD1      ILE  12 -11.547  -1.096  -1.096
  102    H    ASN  13           H        ASN  13 -11.871  -6.378  -6.378
  103    HA   ASN  13           HA       ASN  13 -12.946  -6.266  -6.266
  104   1HB   ASN  13          2HB       ASN  13 -10.785  -7.464  -7.464
  105   2HB   ASN  13          1HB       ASN  13 -11.865  -8.775  -8.775
  106   1HD2  ASN  13          2HD2      ASN  13 -10.782  -8.642  -8.642
  107   2HD2  ASN  13          1HD2      ASN  13  -9.913  -7.968  -7.968
  108    H    THR  14           H        THR  14 -15.204  -6.003  -6.003
  109    HA   THR  14           HA       THR  14 -16.582  -8.619  -8.619
  110    HB   THR  14           HB       THR  14 -18.287  -7.493  -7.493
  111    HG1  THR  14           HG1      THR  14 -18.307  -5.413  -5.413
  112   1HG2  THR  14          3HG2      THR  14 -15.785  -8.329  -8.329
  113   2HG2  THR  14          2HG2      THR  14 -15.866  -6.708  -6.708
  114   3HG2  THR  14          1HG2      THR  14 -17.097  -7.903  -7.903
  115    HA   PRO  15           HA       PRO  15 -17.868  -6.088  -6.088
  116   1HB   PRO  15          2HB       PRO  15 -17.550  -8.091  -8.091
  117   2HB   PRO  15          1HB       PRO  15 -16.290  -6.923  -6.923
  118   1HG   PRO  15          2HG       PRO  15 -16.540  -9.795  -9.795
  119   2HG   PRO  15          1HG       PRO  15 -15.086  -8.797  -8.797
  120   1HD   PRO  15          2HD       PRO  15 -16.304  -9.509  -9.509
  121   2HD   PRO  15          1HD       PRO  15 -15.116  -8.202  -8.202
  122    H    ILE  16           H        ILE  16 -19.944  -6.187  -6.187
  123    HA   ILE  16           HA       ILE  16 -21.771  -8.218  -8.218
  124    HB   ILE  16           HB       ILE  16 -23.028  -8.227  -8.227
  125   1HG1  ILE  16          2HG1      ILE  16 -20.491  -6.989  -6.989
  126   2HG1  ILE  16          1HG1      ILE  16 -21.955  -6.059  -6.059
  127   1HG2  ILE  16          3HG2      ILE  16 -21.444 -10.033 -10.033
  128   2HG2  ILE  16          2HG2      ILE  16 -20.142  -9.143  -9.143
  129   3HG2  ILE  16          1HG2      ILE  16 -21.485  -9.772  -9.772
  130   1HD1  ILE  16          3HD1      ILE  16 -23.221  -7.574  -7.574
  131   2HD1  ILE  16          2HD1      ILE  16 -21.723  -8.434  -8.434
  132   3HD1  ILE  16          1HD1      ILE  16 -21.907  -6.747  -6.747
  133    H    ILE  17           H        ILE  17 -24.168  -7.177  -7.177
  134    HA   ILE  17           HA       ILE  17 -24.118  -4.377  -4.377
  135    HB   ILE  17           HB       ILE  17 -25.321  -5.997  -5.997
  136   1HG1  ILE  17          2HG1      ILE  17 -27.679  -4.576  -4.576
  137   2HG1  ILE  17          1HG1      ILE  17 -26.272  -3.517  -3.517
  138   1HG2  ILE  17          1HG2      ILE  17 -26.501  -6.743  -6.743
  139   2HG2  ILE  17          3HG2      ILE  17 -27.678  -6.579  -6.579
  140   3HG2  ILE  17          2HG2      ILE  17 -26.322  -7.694  -7.694
  141   1HD1  ILE  17          1HD1      ILE  17 -26.299  -5.099  -5.099
  142   2HD1  ILE  17          3HD1      ILE  17 -27.828  -4.241  -4.241
  143   3HD1  ILE  17          2HD1      ILE  17 -26.309  -3.346  -3.346
  144    H    ASN  18           H        ASN  18 -23.577  -4.980  -4.980
  145    HA   ASN  18           HA       ASN  18 -25.718  -3.399  -3.399
  146   1HB   ASN  18          2HB       ASN  18 -24.887  -6.126  -6.126
  147   2HB   ASN  18          1HB       ASN  18 -26.042  -5.023  -5.023
  148   1HD2  ASN  18          2HD2      ASN  18 -27.374  -7.578  -7.578
  149   2HD2  ASN  18          1HD2      ASN  18 -25.874  -7.728  -7.728
  150    H    CYS  19           H        CYS  19 -24.291  -1.764  -1.764
  151    HA   CYS  19           HA       CYS  19 -21.628  -2.341  -2.341
  152   1HB   CYS  19          2HB       CYS  19 -22.964   0.372   0.372
  153   2HB   CYS  19          1HB       CYS  19 -21.248  -0.009  -0.009
  154    H    ASN  20           H        ASN  20 -24.725  -2.323  -2.323
  155    HA   ASN  20           HA       ASN  20 -23.974  -1.111  -1.111
  156   1HB   ASN  20          2HB       ASN  20 -26.266  -2.008  -2.008
  157   2HB   ASN  20          1HB       ASN  20 -26.248  -0.777  -0.777
  158   1HD2  ASN  20          2HD2      ASN  20 -27.677  -4.490  -4.490
  159   2HD2  ASN  20          1HD2      ASN  20 -27.062  -4.120  -4.120
  160    H    THR  21           H        THR  21 -24.951  -4.450  -4.450
  161    HA   THR  21           HA       THR  21 -24.369  -5.606  -5.606
  162    HB   THR  21           HB       THR  21 -24.121  -7.143  -7.143
  163    HG1  THR  21           HG1      THR  21 -26.293  -7.163  -7.163
  164   1HG2  THR  21          3HG2      THR  21 -24.088  -7.837  -7.837
  165   2HG2  THR  21          2HG2      THR  21 -25.677  -8.310  -8.310
  166   3HG2  THR  21          1HG2      THR  21 -24.224  -8.930  -8.930
  167    H    ILE  22           H        ILE  22 -22.211  -4.651  -4.651
  168    HA   ILE  22           HA       ILE  22 -20.006  -6.319  -6.319
  169    HB   ILE  22           HB       ILE  22 -18.632  -5.012  -5.012
  170   1HG1  ILE  22          2HG1      ILE  22 -21.299  -4.051  -4.051
  171   2HG1  ILE  22          1HG1      ILE  22 -20.329  -3.057  -3.057
  172   1HG2  ILE  22          1HG2      ILE  22 -21.005  -6.721  -6.721
  173   2HG2  ILE  22          3HG2      ILE  22 -20.108  -6.000  -6.000
  174   3HG2  ILE  22          2HG2      ILE  22 -19.287  -7.066  -7.066
  175   1HD1  ILE  22          3HD1      ILE  22 -18.388  -3.621  -3.621
  176   2HD1  ILE  22          2HD1      ILE  22 -19.718  -3.948  -3.948
  177   3HD1  ILE  22          1HD1      ILE  22 -19.545  -2.348  -2.348
  178    H    MET  23           H        MET  23 -21.081  -2.954  -2.954
  179    HA   MET  23           HA       MET  23 -18.709  -2.244  -2.244
  180   1HB   MET  23          2HB       MET  23 -20.709  -0.762  -0.762
  181   2HB   MET  23          1HB       MET  23 -20.247   0.021   0.021
  182   1HG   MET  23          2HG       MET  23 -18.780   0.687   0.687
  183   2HG   MET  23          1HG       MET  23 -17.885  -0.110  -0.110
  184   1HE   MET  23          2HE       MET  23 -16.815  -1.790  -1.790
  185   2HE   MET  23          1HE       MET  23 -16.986  -3.309  -3.309
  186   3HE   MET  23          3HE       MET  23 -15.813  -2.102  -2.102
  187    H    ASP  24           H        ASP  24 -21.323  -3.897  -3.897
  188    HA   ASP  24           HA       ASP  24 -22.550  -2.384  -2.384
  189   1HB   ASP  24          2HB       ASP  24 -22.419  -5.310  -5.310
  190   2HB   ASP  24          1HB       ASP  24 -23.121  -4.824  -4.824
  191    H    ASN  25           H        ASN  25 -20.785  -1.488  -1.488
  192    HA   ASN  25           HA       ASN  25 -19.665  -3.117  -3.117
  193   1HB   ASN  25          2HB       ASN  25 -18.258  -3.769  -3.769
  194   2HB   ASN  25          1HB       ASN  25 -17.701  -2.117  -2.117
  195   1HD2  ASN  25          2HD2      ASN  25 -15.053  -3.405  -3.405
  196   2HD2  ASN  25          1HD2      ASN  25 -15.494  -2.997  -2.997
  197    H    ASN  26           H        ASN  26 -18.538  -1.801  -1.801
  198    HA   ASN  26           HA       ASN  26 -19.353   0.981   0.981
  199   1HB   ASN  26          2HB       ASN  26 -17.810   1.074   1.074
  200   2HB   ASN  26          1HB       ASN  26 -19.045  -0.183  -0.183
  201   1HD2  ASN  26          2HD2      ASN  26 -16.658  -2.748  -2.748
  202   2HD2  ASN  26          1HD2      ASN  26 -18.257  -2.228  -2.228
  203    H    ILE  27           H        ILE  27 -16.731  -0.574  -0.574
  204    HA   ILE  27           HA       ILE  27 -14.915   1.741   1.741
  205    HB   ILE  27           HB       ILE  27 -14.718  -0.766  -0.766
  206   1HG1  ILE  27          2HG1      ILE  27 -13.455  -0.132  -0.132
  207   2HG1  ILE  27          1HG1      ILE  27 -14.849  -1.190  -1.190
  208   1HG2  ILE  27          3HG2      ILE  27 -12.995   1.612   1.612
  209   2HG2  ILE  27          2HG2      ILE  27 -12.179   0.050   0.050
  210   3HG2  ILE  27          1HG2      ILE  27 -13.098   0.560   0.560
  211   1HD1  ILE  27          2HD1      ILE  27 -13.223  -2.334  -2.334
  212   2HD1  ILE  27          1HD1      ILE  27 -11.992  -1.648  -1.648
  213   3HD1  ILE  27          3HD1      ILE  27 -13.181  -2.778  -2.778
  214    H    TYR  28           H        TYR  28 -17.739   1.472   1.472
  215    HA   TYR  28           HA       TYR  28 -16.843   3.165   3.165
  216   1HB   TYR  28          2HB       TYR  28 -18.468   0.618   0.618
  217   2HB   TYR  28          1HB       TYR  28 -18.505   1.867   1.867
  218    HD1  TYR  28           HD2      TYR  28 -16.143   2.730   2.730
  219    HD2  TYR  28           HD1      TYR  28 -16.864  -1.068  -1.068
  220    HE1  TYR  28           HE2      TYR  28 -14.056   1.849   1.849
  221    HE2  TYR  28           HE1      TYR  28 -14.766  -1.947  -1.947
  222    HH   TYR  28           HH       TYR  28 -12.369  -0.121  -0.121
  223    H    ILE  29           H        ILE  29 -17.956   4.543   4.543
  224    HA   ILE  29           HA       ILE  29 -20.773   5.030   5.030
  225    HB   ILE  29           HB       ILE  29 -20.082   4.658   4.658
  226   1HG1  ILE  29          2HG1      ILE  29 -21.563   2.753   2.753
  227   2HG1  ILE  29          1HG1      ILE  29 -19.922   2.502   2.502
  228   1HG2  ILE  29          2HG2      ILE  29 -22.466   5.475   5.475
  229   2HG2  ILE  29          1HG2      ILE  29 -22.769   4.379   4.379
  230   3HG2  ILE  29          3HG2      ILE  29 -21.987   5.935   5.935
  231   1HD1  ILE  29          2HD1      ILE  29 -22.374   2.796   2.796
  232   2HD1  ILE  29          1HD1      ILE  29 -21.568   1.275   1.275
  233   3HD1  ILE  29          3HD1      ILE  29 -20.727   2.506   2.506
  234    H    VAL  30           H        VAL  30 -21.558   7.059   7.059
  235    HA   VAL  30           HA       VAL  30 -19.476   9.105   9.105
  236    HB   VAL  30           HB       VAL  30 -22.191   9.449   9.449
  237   1HG1  VAL  30          1HG1      VAL  30 -19.945  11.336  11.336
  238   2HG1  VAL  30          3HG1      VAL  30 -21.031  11.681  11.681
  239   3HG1  VAL  30          2HG1      VAL  30 -21.676  11.526  11.526
  240   1HG2  VAL  30          2HG2      VAL  30 -19.373   9.130   9.130
  241   2HG2  VAL  30          1HG2      VAL  30 -20.845   8.324   8.324
  242   3HG2  VAL  30          3HG2      VAL  30 -20.573  10.024  10.024
  243    H    GLY  31           H        GLY  31 -20.537  11.006  11.006
  244   1HA   GLY  31          2HA       GLY  31 -21.989   9.742   9.742
  245   2HA   GLY  31          1HA       GLY  31 -21.251  11.343  11.343
  246    H    GLY  32           H        GLY  32 -23.661   9.768   9.768
  247   1HA   GLY  32          2HA       GLY  32 -25.840  11.471  11.471
  248   2HA   GLY  32          1HA       GLY  32 -25.227  11.932  11.932
  249    H    GLN  33           H        GLN  33 -24.716   9.689   9.689
  250    HA   GLN  33           HA       GLN  33 -26.682   7.560   7.560
  251   1HB   GLN  33          2HB       GLN  33 -27.712   9.828   9.828
  252   2HB   GLN  33          1HB       GLN  33 -27.203   8.890   8.890
  253   1HG   GLN  33          2HG       GLN  33 -28.670   7.159   7.159
  254   2HG   GLN  33          1HG       GLN  33 -28.691   7.487   7.487
  255   1HE2  GLN  33          2HE2      GLN  33 -31.635   9.379   9.379
  256   2HE2  GLN  33          1HE2      GLN  33 -30.636   8.382   8.382
  257    H    CYS  34           H        CYS  34 -25.266   9.154   9.154
  258    HA   CYS  34           HA       CYS  34 -23.404   6.866   6.866
  259   1HB   CYS  34          2HB       CYS  34 -25.197   7.986   7.986
  260   2HB   CYS  34          1HB       CYS  34 -24.018   6.691   6.691
  261    H    LYS  35           H        LYS  35 -22.254   7.643   7.643
  262    HA   LYS  35           HA       LYS  35 -21.282  10.418  10.418
  263   1HB   LYS  35          2HB       LYS  35 -19.763   8.144   8.144
  264   2HB   LYS  35          1HB       LYS  35 -19.565   8.644   8.644
  265   1HG   LYS  35          2HG       LYS  35 -19.237  11.037  11.037
  266   2HG   LYS  35          1HG       LYS  35 -18.688  10.008  10.008
  267   1HD   LYS  35          2HD       LYS  35 -16.907   9.140   9.140
  268   2HD   LYS  35          1HD       LYS  35 -17.666   9.515   9.515
  269   1HE   LYS  35          2HE       LYS  35 -15.744  11.034  11.034
  270   2HE   LYS  35          1HE       LYS  35 -17.267  11.885  11.885
  271   1HZ   LYS  35          2HZ       LYS  35 -16.639  11.018  11.018
  272   2HZ   LYS  35          1HZ       LYS  35 -15.778  12.344  12.344
  273   3HZ   LYS  35          3HZ       LYS  35 -17.470  12.399  12.399
  274    H    ARG  36           H        ARG  36 -20.417  11.512  11.512
  275    HA   ARG  36           HA       ARG  36 -22.479  11.425  11.425
  276   1HB   ARG  36          2HB       ARG  36 -21.019  13.444  13.444
  277   2HB   ARG  36          1HB       ARG  36 -19.933  12.953  12.953
  278   1HG   ARG  36          2HG       ARG  36 -21.758  13.141  13.141
  279   2HG   ARG  36          1HG       ARG  36 -22.883  13.572  13.572
  280   1HD   ARG  36          2HD       ARG  36 -22.336  15.715  15.715
  281   2HD   ARG  36          1HD       ARG  36 -20.855  15.392  15.392
  282    HE   ARG  36           HE       ARG  36 -20.953  14.871  14.871
  283   1HH1  ARG  36          1HH2      ARG  36 -18.863  15.122  15.122
  284   2HH1  ARG  36          2HH2      ARG  36 -17.843  16.337  16.337
  285   1HH2  ARG  36          2HH1      ARG  36 -19.992  17.009  17.009
  286   2HH2  ARG  36          1HH1      ARG  36 -18.484  17.408  17.408
  287    H    VAL  37           H        VAL  37 -19.410   9.865   9.865
  288    HA   VAL  37           HA       VAL  37 -19.710   8.489   8.489
  289    HB   VAL  37           HB       VAL  37 -18.605  10.643  10.643
  290   1HG1  VAL  37          1HG1      VAL  37 -17.285  10.864  10.864
  291   2HG1  VAL  37          3HG1      VAL  37 -16.186   9.653   9.653
  292   3HG1  VAL  37          2HG1      VAL  37 -16.395  11.194  11.194
  293   1HG2  VAL  37          2HG2      VAL  37 -18.191   8.229   8.229
  294   2HG2  VAL  37          1HG2      VAL  37 -17.179   9.572   9.572
  295   3HG2  VAL  37          3HG2      VAL  37 -16.579   8.445   8.445
  296    H    ASN  38           H        ASN  38 -19.256   6.487   6.487
  297    HA   ASN  38           HA       ASN  38 -17.046   5.846   5.846
  298   1HB   ASN  38          2HB       ASN  38 -19.422   4.065   4.065
  299   2HB   ASN  38          1HB       ASN  38 -18.216   3.807   3.807
  300   1HD2  ASN  38          2HD2      ASN  38 -20.227   5.500   5.500
  301   2HD2  ASN  38          1HD2      ASN  38 -19.199   4.194   4.194
  302    H    THR  39           H        THR  39 -15.547   5.970   5.970
  303    HA   THR  39           HA       THR  39 -15.924   4.325   4.325
  304    HB   THR  39           HB       THR  39 -13.433   5.837   5.837
  305    HG1  THR  39           HG1      THR  39 -14.358   7.597   7.597
  306   1HG2  THR  39          3HG2      THR  39 -13.284   4.275   4.275
  307   2HG2  THR  39          2HG2      THR  39 -14.636   5.107   5.107
  308   3HG2  THR  39          1HG2      THR  39 -13.111   5.955   5.955
  309    H    PHE  40           H        PHE  40 -15.306   2.308   2.308
  310    HA   PHE  40           HA       PHE  40 -13.255   1.167   1.167
  311   1HB   PHE  40          2HB       PHE  40 -15.248  -0.365  -0.365
  312   2HB   PHE  40          1HB       PHE  40 -14.327  -0.964  -0.964
  313    HD1  PHE  40           HD1      PHE  40 -14.650   0.892   0.892
  314    HD2  PHE  40           HD2      PHE  40 -17.521  -0.236  -0.236
  315    HE1  PHE  40           HE1      PHE  40 -16.498   1.551   1.551
  316    HE2  PHE  40           HE2      PHE  40 -19.360   0.426   0.426
  317    HZ   PHE  40           HZ       PHE  40 -18.852   1.321   1.321
  318    H    ILE  41           H        ILE  41 -11.752  -0.490  -0.490
  319    HA   ILE  41           HA       ILE  41 -11.483   0.142   0.142
  320    HB   ILE  41           HB       ILE  41  -9.214   0.064   0.064
  321   1HG1  ILE  41          2HG1      ILE  41 -10.408   2.298   2.298
  322   2HG1  ILE  41          1HG1      ILE  41 -10.582   2.121   2.121
  323   1HG2  ILE  41          3HG2      ILE  41  -9.268   0.375   0.375
  324   2HG2  ILE  41          2HG2      ILE  41  -7.873   0.797   0.797
  325   3HG2  ILE  41          1HG2      ILE  41  -8.437  -0.872  -0.872
  326   1HD1  ILE  41          2HD1      ILE  41  -8.019   2.186   2.186
  327   2HD1  ILE  41          1HD1      ILE  41  -8.070   2.733   2.733
  328   3HD1  ILE  41          3HD1      ILE  41  -8.824   3.700   3.700
  329    H    ILE  42           H        ILE  42 -11.212  -1.608  -1.608
  330    HA   ILE  42           HA       ILE  42 -10.951  -4.273  -4.273
  331    HB   ILE  42           HB       ILE  42 -11.626  -3.877  -3.877
  332   1HG1  ILE  42          2HG1      ILE  42 -13.218  -2.475  -2.475
  333   2HG1  ILE  42          1HG1      ILE  42 -14.024  -3.906  -3.906
  334   1HG2  ILE  42          2HG2      ILE  42 -11.847  -6.037  -6.037
  335   2HG2  ILE  42          1HG2      ILE  42 -13.026  -5.994  -5.994
  336   3HG2  ILE  42          3HG2      ILE  42 -11.306  -6.135  -6.135
  337   1HD1  ILE  42          2HD1      ILE  42 -13.106  -4.759  -4.759
  338   2HD1  ILE  42          1HD1      ILE  42 -13.597  -3.093  -3.093
  339   3HD1  ILE  42          3HD1      ILE  42 -14.754  -4.245  -4.245
  340    H    SER  43           H        SER  43  -8.875  -4.875  -4.875
  341    HA   SER  43           HA       SER  43  -7.265  -5.532  -5.532
  342   1HB   SER  43          2HB       SER  43  -7.026  -3.118  -3.118
  343   2HB   SER  43          1HB       SER  43  -6.536  -2.897  -2.897
  344    HG   SER  43           HG       SER  43  -4.602  -3.553  -3.553
  345    H    SER  44           H        SER  44  -5.313  -6.569  -6.569
  346    HA   SER  44           HA       SER  44  -5.303  -7.721  -7.721
  347   1HB   SER  44          2HB       SER  44  -2.876  -8.355  -8.355
  348   2HB   SER  44          1HB       SER  44  -4.163  -8.944  -8.944
  349    HG   SER  44           HG       SER  44  -2.993  -7.985  -7.985
  350    H    ALA  45           H        ALA  45  -4.525  -6.959  -6.959
  351    HA   ALA  45           HA       ALA  45  -3.852  -4.293  -4.293
  352   1HB   ALA  45          1HB       ALA  45  -4.446  -6.130  -6.130
  353   2HB   ALA  45          3HB       ALA  45  -2.743  -6.584  -6.584
  354   3HB   ALA  45          2HB       ALA  45  -3.212  -4.979  -4.979
  355    H    THR  46           H        THR  46  -1.748  -6.828  -6.828
  356    HA   THR  46           HA       THR  46   0.693  -5.341  -5.341
  357    HB   THR  46           HB       THR  46   0.717  -7.760  -7.760
  358    HG1  THR  46           HG1      THR  46   2.290  -6.765  -6.765
  359   1HG2  THR  46          3HG2      THR  46  -0.579  -7.542  -7.542
  360   2HG2  THR  46          2HG2      THR  46   0.890  -8.495  -8.495
  361   3HG2  THR  46          1HG2      THR  46  -0.343  -8.978  -8.978
  362    H    THR  47           H        THR  47  -1.306  -5.777  -5.777
  363    HA   THR  47           HA       THR  47   0.576  -4.687  -4.687
  364    HB   THR  47           HB       THR  47  -1.628  -3.957  -3.957
  365    HG1  THR  47           HG1      THR  47  -3.402  -5.217  -5.217
  366   1HG2  THR  47          3HG2      THR  47  -0.823  -6.802  -6.802
  367   2HG2  THR  47          2HG2      THR  47  -2.093  -6.414  -6.414
  368   3HG2  THR  47          1HG2      THR  47  -0.448  -5.840  -5.840
  369    H    VAL  48           H        VAL  48  -1.823  -3.325  -3.325
  370    HA   VAL  48           HA       VAL  48  -1.440  -0.560  -0.560
  371    HB   VAL  48           HB       VAL  48  -2.441  -1.632  -1.632
  372   1HG1  VAL  48          1HG1      VAL  48  -1.851   0.805   0.805
  373   2HG1  VAL  48          3HG1      VAL  48  -3.038   0.959   0.959
  374   3HG1  VAL  48          2HG1      VAL  48  -3.559   0.512   0.512
  375   1HG2  VAL  48          3HG2      VAL  48  -3.680  -1.496  -1.496
  376   2HG2  VAL  48          2HG2      VAL  48  -4.002  -2.612  -2.612
  377   3HG2  VAL  48          1HG2      VAL  48  -4.687  -0.987  -0.987
  378    H    LYS  49           H        LYS  49  -0.049  -2.772  -2.772
  379    HA   LYS  49           HA       LYS  49   1.517  -0.926  -0.926
  380   1HB   LYS  49          2HB       LYS  49   1.097  -3.251  -3.251
  381   2HB   LYS  49          1HB       LYS  49   2.043  -3.853  -3.853
  382   1HG   LYS  49          2HG       LYS  49   3.964  -2.388  -2.388
  383   2HG   LYS  49          1HG       LYS  49   2.997  -2.364  -2.364
  384   1HD   LYS  49          2HD       LYS  49   3.061  -4.761  -4.761
  385   2HD   LYS  49          1HD       LYS  49   3.764  -4.918  -4.918
  386   1HE   LYS  49          2HE       LYS  49   5.860  -4.188  -4.188
  387   2HE   LYS  49          1HE       LYS  49   5.210  -3.278  -3.278
  388   1HZ   LYS  49          3HZ       LYS  49   5.010  -6.221  -6.221
  389   2HZ   LYS  49          2HZ       LYS  49   6.410  -5.460  -5.460
  390   3HZ   LYS  49          1HZ       LYS  49   4.915  -5.201  -5.201
  391    H    ALA  50           H        ALA  50   1.914  -2.272  -2.272
  392    HA   ALA  50           HA       ALA  50   4.768  -1.664  -1.664
  393   1HB   ALA  50          2HB       ALA  50   2.803  -3.084  -3.084
  394   2HB   ALA  50          1HB       ALA  50   3.764  -2.001  -2.001
  395   3HB   ALA  50          3HB       ALA  50   4.560  -3.218  -3.218
  396    H    ILE  51           H        ILE  51   1.720  -0.117  -0.117
  397    HA   ILE  51           HA       ILE  51   2.977   1.929   1.929
  398    HB   ILE  51           HB       ILE  51   0.563   1.368   1.368
  399   1HG1  ILE  51          2HG1      ILE  51  -0.241   3.773   3.773
  400   2HG1  ILE  51          1HG1      ILE  51   1.305   4.221   4.221
  401   1HG2  ILE  51          2HG2      ILE  51   0.639   2.141   2.141
  402   2HG2  ILE  51          1HG2      ILE  51  -0.683   2.878   2.878
  403   3HG2  ILE  51          3HG2      ILE  51  -0.512   1.127   1.127
  404   1HD1  ILE  51          1HD1      ILE  51   1.377   2.489   2.489
  405   2HD1  ILE  51          3HD1      ILE  51   0.945   4.183   4.183
  406   3HD1  ILE  51          2HD1      ILE  51   2.491   3.758   3.758
  407    H    CYS  52           H        CYS  52   2.589   1.565   1.565
  408    HA   CYS  52           HA       CYS  52   3.376   4.397   4.397
  409   1HB   CYS  52          2HB       CYS  52   1.490   2.831   2.831
  410   2HB   CYS  52          1HB       CYS  52   2.864   2.756   2.756
  411    H    THR  53           H        THR  53   5.208   2.223   2.223
  412    HA   THR  53           HA       THR  53   7.032   1.799   1.799
  413    HB   THR  53           HB       THR  53   7.539   1.013   1.013
  414    HG1  THR  53           HG1      THR  53   6.057  -0.312  -0.312
  415   1HG2  THR  53          3HG2      THR  53   8.487   0.019   0.019
  416   2HG2  THR  53          2HG2      THR  53   8.817  -0.813  -0.813
  417   3HG2  THR  53          1HG2      THR  53   9.456   0.808   0.808
  418    H    GLY  54           H        GLY  54   8.409   3.434   3.434
  419   1HA   GLY  54          2HA       GLY  54  10.110   4.615   4.615
  420   2HA   GLY  54          1HA       GLY  54   8.969   5.763   5.763
  421    H    VAL  55           H        VAL  55   8.929   5.523   5.523
  422    HA   VAL  55           HA       VAL  55  11.484   4.849   4.849
  423    HB   VAL  55           HB       VAL  55  11.735   7.128   7.128
  424   1HG1  VAL  55          1HG1      VAL  55   9.482   7.894   7.894
  425   2HG1  VAL  55          3HG1      VAL  55  10.582   8.369   8.369
  426   3HG1  VAL  55          2HG1      VAL  55  10.780   9.041   9.041
  427   1HG2  VAL  55          2HG2      VAL  55  12.923   6.047   6.047
  428   2HG2  VAL  55          1HG2      VAL  55  13.520   7.426   7.426
  429   3HG2  VAL  55          3HG2      VAL  55  12.515   7.687   7.687
  430    H    ILE  56           H        ILE  56  11.202   6.237   6.237
  431    HA   ILE  56           HA       ILE  56   8.786   4.926   4.926
  432    HB   ILE  56           HB       ILE  56   9.754   5.538   5.538
  433   1HG1  ILE  56          2HG1      ILE  56  12.216   6.509   6.509
  434   2HG1  ILE  56          1HG1      ILE  56  10.881   7.636   7.636
  435   1HG2  ILE  56          3HG2      ILE  56  11.499   4.178   4.178
  436   2HG2  ILE  56          2HG2      ILE  56  11.943   4.244   4.244
  437   3HG2  ILE  56          1HG2      ILE  56  10.458   3.432   3.432
  438   1HD1  ILE  56          1HD1      ILE  56  10.882   7.013   7.013
  439   2HD1  ILE  56          3HD1      ILE  56  12.356   6.089   6.089
  440   3HD1  ILE  56          2HD1      ILE  56  12.347   7.836   7.836
  441    H    ASN  57           H        ASN  57   8.598   7.460   7.460
  442    HA   ASN  57           HA       ASN  57   6.421   8.777   8.777
  443   1HB   ASN  57          2HB       ASN  57   8.434   9.501   9.501
  444   2HB   ASN  57          1HB       ASN  57   8.860  10.535  10.535
  445   1HD2  ASN  57          2HD2      ASN  57   6.092  11.866  11.866
  446   2HD2  ASN  57          1HD2      ASN  57   7.279  10.711  10.711
  447    H    MET  58           H        MET  58   5.466   9.352   9.352
  448    HA   MET  58           HA       MET  58   6.875  11.138  11.138
  449   1HB   MET  58          2HB       MET  58   7.423   8.556   8.556
  450   2HB   MET  58          1HB       MET  58   5.882   8.622   8.622
  451   1HG   MET  58          2HG       MET  58   7.401  10.934  10.934
  452   2HG   MET  58          1HG       MET  58   8.433   9.514   9.514
  453   1HE   MET  58          2HE       MET  58   8.416  10.721  10.721
  454   2HE   MET  58          1HE       MET  58   7.709   9.867   9.867
  455   3HE   MET  58          3HE       MET  58   6.921  11.313  11.313
  456    H    ASN  59           H        ASN  59   5.464  11.394  11.394
  457    HA   ASN  59           HA       ASN  59   2.543  11.162  11.162
  458   1HB   ASN  59          2HB       ASN  59   3.321  13.452  13.452
  459   2HB   ASN  59          1HB       ASN  59   3.912  13.709  13.709
  460   1HD2  ASN  59          2HD2      ASN  59   0.619  14.013  14.013
  461   2HD2  ASN  59          1HD2      ASN  59   2.215  13.566  13.566
  462    H    VAL  60           H        VAL  60   1.773  10.054  10.054
  463    HA   VAL  60           HA       VAL  60   2.675  10.830  10.830
  464    HB   VAL  60           HB       VAL  60   4.283   9.097   9.097
  465   1HG1  VAL  60          1HG1      VAL  60   1.770   7.613   7.613
  466   2HG1  VAL  60          3HG1      VAL  60   3.260   6.745   6.745
  467   3HG1  VAL  60          2HG1      VAL  60   3.216   7.892   7.892
  468   1HG2  VAL  60          2HG2      VAL  60   3.343   9.127   9.127
  469   2HG2  VAL  60          1HG2      VAL  60   3.964   7.558   7.558
  470   3HG2  VAL  60          3HG2      VAL  60   2.226   7.858   7.858
  471    H    LEU  61           H        LEU  61   1.271   9.699   9.699
  472    HA   LEU  61           HA       LEU  61  -1.416   9.020   9.020
  473   1HB   LEU  61          2HB       LEU  61  -0.907  10.497  10.497
  474   2HB   LEU  61          1HB       LEU  61  -2.461  10.232  10.232
  475    HG   LEU  61           HG       LEU  61  -1.264  11.472  11.472
  476   1HD1  LEU  61          3HD1      LEU  61   0.443  11.986  11.986
  477   2HD1  LEU  61          2HD1      LEU  61   0.058  13.385  13.385
  478   3HD1  LEU  61          1HD1      LEU  61   0.869  11.989  11.989
  479   1HD2  LEU  61          2HD2      LEU  61  -2.599  12.552  12.552
  480   2HD2  LEU  61          1HD2      LEU  61  -3.195  12.494  12.494
  481   3HD2  LEU  61          3HD2      LEU  61  -1.984  13.689  13.689
  482    H    SER  62           H        SER  62  -2.146   7.060   7.060
  483    HA   SER  62           HA       SER  62  -0.785   5.273   5.273
  484   1HB   SER  62          2HB       SER  62  -3.717   4.910   4.910
  485   2HB   SER  62          1HB       SER  62  -2.411   3.772   3.772
  486    HG   SER  62           HG       SER  62  -3.079   4.159   4.159
  487    H    THR  63           H        THR  63  -0.377   6.391   6.391
  488    HA   THR  63           HA       THR  63  -2.592   7.622   7.622
  489    HB   THR  63           HB       THR  63  -0.686   7.916   7.916
  490    HG1  THR  63           HG1      THR  63   0.779   6.466   6.466
  491   1HG2  THR  63          2HG2      THR  63  -1.314   9.290   9.290
  492   2HG2  THR  63          1HG2      THR  63   0.398   9.466   9.466
  493   3HG2  THR  63          3HG2      THR  63  -0.823   9.964   9.964
  494    H    THR  64           H        THR  64  -0.926   4.560   4.560
  495    HA   THR  64           HA       THR  64  -1.395   3.721   3.721
  496    HB   THR  64           HB       THR  64  -1.300   2.032   2.032
  497    HG1  THR  64           HG1      THR  64   0.570   3.214   3.214
  498   1HG2  THR  64          3HG2      THR  64  -1.476   1.412   1.412
  499   2HG2  THR  64          2HG2      THR  64  -0.319   0.466   0.466
  500   3HG2  THR  64          1HG2      THR  64  -2.026   0.469   0.469
  501    H    ARG  65           H        ARG  65  -3.221   2.010   2.010
  502    HA   ARG  65           HA       ARG  65  -5.829   2.973   2.973
  503   1HB   ARG  65          2HB       ARG  65  -5.702   2.407   2.407
  504   2HB   ARG  65          1HB       ARG  65  -4.927   0.864   0.864
  505   1HG   ARG  65          2HG       ARG  65  -6.976  -0.047  -0.047
  506   2HG   ARG  65          1HG       ARG  65  -7.756   1.527   1.527
  507   1HD   ARG  65          2HD       ARG  65  -7.941   1.519   1.519
  508   2HD   ARG  65          1HD       ARG  65  -6.666   0.314   0.314
  509    HE   ARG  65           HE       ARG  65  -9.443  -0.273  -0.273
  510   1HH1  ARG  65          1HH2      ARG  65  -6.878  -1.957  -1.957
  511   2HH1  ARG  65          2HH2      ARG  65  -7.076  -3.273  -3.273
  512   1HH2  ARG  65          2HH1      ARG  65  -9.484  -1.657  -1.657
  513   2HH2  ARG  65          1HH1      ARG  65  -8.555  -3.106  -3.106
  514    H    PHE  66           H        PHE  66  -6.062   2.353   2.353
  515    HA   PHE  66           HA       PHE  66  -5.823  -0.587  -0.587
  516   1HB   PHE  66          2HB       PHE  66  -5.768   1.872   1.872
  517   2HB   PHE  66          1HB       PHE  66  -5.959   0.248   0.248
  518    HD1  PHE  66           HD2      PHE  66  -3.653   2.573   2.573
  519    HD2  PHE  66           HD1      PHE  66  -4.125  -1.396  -1.396
  520    HE1  PHE  66           HE2      PHE  66  -1.218   2.196   2.196
  521    HE2  PHE  66           HE1      PHE  66  -1.685  -1.752  -1.752
  522    HZ   PHE  66           HZ       PHE  66  -0.232   0.040   0.040
  523    H    GLN  67           H        GLN  67  -7.958  -0.272  -0.272
  524    HA   GLN  67           HA       GLN  67 -10.379   0.426   0.426
  525   1HB   GLN  67          2HB       GLN  67 -11.344  -1.848  -1.848
  526   2HB   GLN  67          1HB       GLN  67  -9.876  -1.782  -1.782
  527   1HG   GLN  67          2HG       GLN  67  -8.727  -2.354  -2.354
  528   2HG   GLN  67          1HG       GLN  67 -10.319  -3.035  -3.035
  529   1HE2  GLN  67          2HE2      GLN  67  -7.820  -4.982  -4.982
  530   2HE2  GLN  67          1HE2      GLN  67  -7.348  -3.565  -3.565
  531    H    LEU  68           H        LEU  68 -11.637   1.513   1.513
  532    HA   LEU  68           HA       LEU  68 -11.735   0.479   0.479
  533   1HB   LEU  68          2HB       LEU  68 -12.861   2.758   2.758
  534   2HB   LEU  68          1HB       LEU  68 -11.140   2.730   2.730
  535    HG   LEU  68           HG       LEU  68 -11.467   3.550   3.550
  536   1HD1  LEU  68          3HD1      LEU  68 -14.379   2.971   2.971
  537   2HD1  LEU  68          2HD1      LEU  68 -13.883   4.118   4.118
  538   3HD1  LEU  68          1HD1      LEU  68 -13.389   2.430   2.430
  539   1HD2  LEU  68          3HD2      LEU  68 -11.613   5.225   5.225
  540   2HD2  LEU  68          2HD2      LEU  68 -12.610   5.684   5.684
  541   3HD2  LEU  68          1HD2      LEU  68 -13.355   4.991   4.991
  542    H    ASN  69           H        ASN  69 -13.695   0.489   0.489
  543    HA   ASN  69           HA       ASN  69 -16.205   0.120   0.120
  544   1HB   ASN  69          2HB       ASN  69 -15.126  -1.909  -1.909
  545   2HB   ASN  69          1HB       ASN  69 -15.833  -1.086  -1.086
  546   1HD2  ASN  69          2HD2      ASN  69 -18.235  -3.100  -3.100
  547   2HD2  ASN  69          1HD2      ASN  69 -16.556  -3.023  -3.023
  548    H    THR  70           H        THR  70 -16.986   2.270   2.270
  549    HA   THR  70           HA       THR  70 -16.843   3.422   3.422
  550    HB   THR  70           HB       THR  70 -17.747   4.807   4.807
  551    HG1  THR  70           HG1      THR  70 -15.735   4.913   4.913
  552   1HG2  THR  70          3HG2      THR  70 -17.702   5.570   5.570
  553   2HG2  THR  70          2HG2      THR  70 -16.308   6.362   6.362
  554   3HG2  THR  70          1HG2      THR  70 -17.921   6.624   6.624
  555    H    CYS  71           H        CYS  71 -18.503   3.562   3.562
  556    HA   CYS  71           HA       CYS  71 -21.300   3.321   3.321
  557   1HB   CYS  71          2HB       CYS  71 -20.270   2.693   2.693
  558   2HB   CYS  71          1HB       CYS  71 -21.949   2.585   2.585
  559    H    THR  72           H        THR  72 -21.850   5.481   5.481
  560    HA   THR  72           HA       THR  72 -20.882   7.419   7.419
  561    HB   THR  72           HB       THR  72 -22.149   8.127   8.127
  562    HG1  THR  72           HG1      THR  72 -20.321   7.709   7.709
  563   1HG2  THR  72          1HG2      THR  72 -20.281   9.513   9.513
  564   2HG2  THR  72          3HG2      THR  72 -20.547  10.088  10.088
  565   3HG2  THR  72          2HG2      THR  72 -21.892  10.025  10.025
  566    H    ARG  73           H        ARG  73 -22.263   8.832   8.832
  567    HA   ARG  73           HA       ARG  73 -24.978   8.001   8.001
  568   1HB   ARG  73          2HB       ARG  73 -23.334   9.310   9.310
  569   2HB   ARG  73          1HB       ARG  73 -23.930  10.732  10.732
  570   1HG   ARG  73          2HG       ARG  73 -26.290   9.863   9.863
  571   2HG   ARG  73          1HG       ARG  73 -25.501   8.774   8.774
  572   1HD   ARG  73          2HD       ARG  73 -26.020  10.654  10.654
  573   2HD   ARG  73          1HD       ARG  73 -24.328  10.910  10.910
  574    HE   ARG  73           HE       ARG  73 -25.397  12.323  12.323
  575   1HH1  ARG  73          2HH1      ARG  73 -25.406  12.798  12.798
  576   2HH1  ARG  73          1HH1      ARG  73 -26.686  13.965  13.965
  577   1HH2  ARG  73          1HH2      ARG  73 -27.563  13.462  13.462
  578   2HH2  ARG  73          2HH2      ARG  73 -27.908  14.338  14.338
  579    H    THR  74           H        THR  74 -26.891   8.819   8.819
  580    HA   THR  74           HA       THR  74 -26.578  10.920  10.920
  581    HB   THR  74           HB       THR  74 -28.710   9.739   9.739
  582    HG1  THR  74           HG1      THR  74 -29.057   7.749   7.749
  583   1HG2  THR  74          1HG2      THR  74 -25.950   8.496   8.496
  584   2HG2  THR  74          3HG2      THR  74 -27.243   8.175   8.175
  585   3HG2  THR  74          2HG2      THR  74 -26.551   9.793   9.793
  586    H    SER  75           H        SER  75 -29.613   9.538   9.538
  587    HA   SER  75           HA       SER  75 -30.220  12.162  12.162
  588   1HB   SER  75          2HB       SER  75 -32.255  10.697  10.697
  589   2HB   SER  75          1HB       SER  75 -32.329  12.346  12.346
  590    HG   SER  75           HG       SER  75 -31.512  11.660  11.660
  591    H    ILE  76           H        ILE  76 -30.658  11.713  11.713
  592    HA   ILE  76           HA       ILE  76 -31.289   9.111   9.111
  593    HB   ILE  76           HB       ILE  76 -31.750  11.809  11.809
  594   1HG1  ILE  76          2HG1      ILE  76 -29.342  10.194  10.194
  595   2HG1  ILE  76          1HG1      ILE  76 -29.355  10.923  10.923
  596   1HG2  ILE  76          2HG2      ILE  76 -32.724   9.575   9.575
  597   2HG2  ILE  76          1HG2      ILE  76 -31.047   9.236   9.236
  598   3HG2  ILE  76          3HG2      ILE  76 -31.850  10.665  10.665
  599   1HD1  ILE  76          3HD1      ILE  76 -30.272  12.786  12.786
  600   2HD1  ILE  76          2HD1      ILE  76 -28.636  12.203  12.203
  601   3HD1  ILE  76          1HD1      ILE  76 -29.022  12.995  12.995
  602    H    THR  77           H        THR  77 -33.155   8.065   8.065
  603    HA   THR  77           HA       THR  77 -35.673   9.120   9.120
  604    HB   THR  77           HB       THR  77 -36.362   8.529   8.529
  605    HG1  THR  77           HG1      THR  77 -35.144   9.973   9.973
  606   1HG2  THR  77          1HG2      THR  77 -36.664  10.666  10.666
  607   2HG2  THR  77          3HG2      THR  77 -36.509  11.300  11.300
  608   3HG2  THR  77          2HG2      THR  77 -37.775  10.132  10.132
  609    HA   PRO  78           HA       PRO  78 -36.226   4.653   4.653
  610   1HB   PRO  78          2HB       PRO  78 -34.332   3.542   3.542
  611   2HB   PRO  78          1HB       PRO  78 -35.731   4.443   4.443
  612   1HG   PRO  78          2HG       PRO  78 -32.876   5.279   5.279
  613   2HG   PRO  78          1HG       PRO  78 -34.153   5.822   5.822
  614   1HD   PRO  78          2HD       PRO  78 -33.198   7.232   7.232
  615   2HD   PRO  78          1HD       PRO  78 -34.658   7.600   7.600
  616    H    ARG  79           H        ARG  79 -35.386   2.587   2.587
  617    HA   ARG  79           HA       ARG  79 -32.898   2.926   2.926
  618   1HB   ARG  79          2HB       ARG  79 -35.524   1.633   1.633
  619   2HB   ARG  79          1HB       ARG  79 -34.074   0.933   0.933
  620   1HG   ARG  79          2HG       ARG  79 -34.697   2.518   2.518
  621   2HG   ARG  79          1HG       ARG  79 -33.519   3.412   3.412
  622   1HD   ARG  79          2HD       ARG  79 -35.771   3.956   3.956
  623   2HD   ARG  79          1HD       ARG  79 -36.456   3.779   3.779
  624    HE   ARG  79           HE       ARG  79 -34.315   5.746   5.746
  625   1HH1  ARG  79          2HH1      ARG  79 -35.545   4.447   4.447
  626   2HH1  ARG  79          1HH1      ARG  79 -36.215   5.910   5.910
  627   1HH2  ARG  79          1HH2      ARG  79 -35.771   7.716   7.716
  628   2HH2  ARG  79          2HH2      ARG  79 -36.344   7.755   7.755
  629    HA   PRO  80           HA       PRO  80 -31.465   1.507   1.507
  630   1HB   PRO  80          2HB       PRO  80 -28.857   0.955   0.955
  631   2HB   PRO  80          1HB       PRO  80 -29.932  -0.194  -0.194
  632   1HG   PRO  80          2HG       PRO  80 -29.055  -0.125  -0.125
  633   2HG   PRO  80          1HG       PRO  80 -29.510  -1.513  -1.513
  634   1HD   PRO  80          2HD       PRO  80 -31.150  -0.314  -0.314
  635   2HD   PRO  80          1HD       PRO  80 -31.711  -1.384  -1.384
  636    H    CYS  81           H        CYS  81 -29.009   2.853   2.853
  637    HA   CYS  81           HA       CYS  81 -29.586   5.406   5.406
  638   1HB   CYS  81          2HB       CYS  81 -27.215   3.973   3.973
  639   2HB   CYS  81          1HB       CYS  81 -26.824   5.031   5.031
  640    HA   PRO  82           HA       PRO  82 -29.614   5.420   5.420
  641   1HB   PRO  82          2HB       PRO  82 -28.754   7.953   7.953
  642   2HB   PRO  82          1HB       PRO  82 -30.363   7.613   7.613
  643   1HG   PRO  82          2HG       PRO  82 -27.939   8.692   8.692
  644   2HG   PRO  82          1HG       PRO  82 -29.645   9.045   9.045
  645   1HD   PRO  82          2HD       PRO  82 -28.087   7.318   7.318
  646   2HD   PRO  82          1HD       PRO  82 -29.867   7.296   7.296
  647    H    TYR  83           H        TYR  83 -28.004   4.138   4.138
  648    HA   TYR  83           HA       TYR  83 -25.373   5.447   5.447
  649   1HB   TYR  83          2HB       TYR  83 -25.757   2.876   2.876
  650   2HB   TYR  83          1HB       TYR  83 -24.335   3.081   3.081
  651    HD1  TYR  83           HD2      TYR  83 -26.272   4.707   4.707
  652    HD2  TYR  83           HD1      TYR  83 -22.509   4.345   4.345
  653    HE1  TYR  83           HE2      TYR  83 -25.193   6.109   6.109
  654    HE2  TYR  83           HE1      TYR  83 -21.437   5.742   5.742
  655    HH   TYR  83           HH       TYR  83 -22.600   6.268   6.268
  656    H    SER  84           H        SER  84 -24.629   5.123   5.123
  657    HA   SER  84           HA       SER  84 -25.878   2.956   2.956
  658   1HB   SER  84          2HB       SER  84 -26.328   5.530   5.530
  659   2HB   SER  84          1HB       SER  84 -24.703   5.459   5.459
  660    HG   SER  84           HG       SER  84 -27.065   4.212   4.212
  661    H    SER  85           H        SER  85 -24.399   1.538   1.538
  662    HA   SER  85           HA       SER  85 -21.528   2.090   2.090
  663   1HB   SER  85          2HB       SER  85 -22.685  -0.090  -0.090
  664   2HB   SER  85          1HB       SER  85 -22.692  -0.513  -0.513
  665    HG   SER  85           HG       SER  85 -20.388  -0.113  -0.113
  666    H    ARG  86           H        ARG  86 -19.974   2.120   2.120
  667    HA   ARG  86           HA       ARG  86 -20.608   1.524   1.524
  668   1HB   ARG  86          2HB       ARG  86 -21.270   3.943   3.943
  669   2HB   ARG  86          1HB       ARG  86 -19.579   4.272   4.272
  670   1HG   ARG  86          2HG       ARG  86 -19.734   4.783   4.783
  671   2HG   ARG  86          1HG       ARG  86 -19.075   3.148   3.148
  672   1HD   ARG  86          2HD       ARG  86 -20.816   3.040   3.040
  673   2HD   ARG  86          1HD       ARG  86 -21.543   2.368   2.368
  674    HE   ARG  86           HE       ARG  86 -21.926   5.261   5.261
  675   1HH1  ARG  86          1HH2      ARG  86 -23.274   3.444   3.444
  676   2HH1  ARG  86          2HH2      ARG  86 -24.859   3.302   3.302
  677   1HH2  ARG  86          2HH1      ARG  86 -23.909   4.482   4.482
  678   2HH2  ARG  86          1HH1      ARG  86 -25.218   3.891   3.891
  679    H    THR  87           H        THR  87 -18.840   0.490   0.490
  680    HA   THR  87           HA       THR  87 -16.232   0.807   0.807
  681    HB   THR  87           HB       THR  87 -16.886  -1.380  -1.380
  682    HG1  THR  87           HG1      THR  87 -17.547  -2.578  -2.578
  683   1HG2  THR  87          1HG2      THR  87 -14.544  -1.042  -1.042
  684   2HG2  THR  87          3HG2      THR  87 -15.098  -1.280  -1.280
  685   3HG2  THR  87          2HG2      THR  87 -15.210  -2.599  -2.599
  686    H    GLU  88           H        GLU  88 -14.329   1.208   1.208
  687    HA   GLU  88           HA       GLU  88 -14.132   1.316   1.316
  688   1HB   GLU  88          2HB       GLU  88 -15.370   3.608   3.608
  689   2HB   GLU  88          1HB       GLU  88 -13.835   4.088   4.088
  690   1HG   GLU  88          2HG       GLU  88 -15.902   2.447   2.447
  691   2HG   GLU  88          1HG       GLU  88 -15.844   4.210   4.210
  692    H    THR  89           H        THR  89 -12.168   3.157   3.157
  693    HA   THR  89           HA       THR  89  -9.839   1.990   1.990
  694    HB   THR  89           HB       THR  89 -10.141   4.657   4.657
  695    HG1  THR  89           HG1      THR  89 -10.698   3.114   3.114
  696   1HG2  THR  89          1HG2      THR  89  -7.931   3.667   3.667
  697   2HG2  THR  89          3HG2      THR  89  -7.598   3.256   3.256
  698   3HG2  THR  89          2HG2      THR  89  -7.910   4.930   4.930
  699    H    ASN  90           H        ASN  90  -8.721   2.528   2.528
  700    HA   ASN  90           HA       ASN  90  -9.796   4.822   4.822
  701   1HB   ASN  90          2HB       ASN  90  -9.853   2.483   2.483
  702   2HB   ASN  90          1HB       ASN  90  -8.103   2.586   2.586
  703   1HD2  ASN  90          2HD2      ASN  90  -9.394   5.701   5.701
  704   2HD2  ASN  90          1HD2      ASN  90  -9.410   5.741   5.741
  705    H    TYR  91           H        TYR  91  -8.569   6.470   6.470
  706    HA   TYR  91           HA       TYR  91  -5.604   6.342   6.342
  707   1HB   TYR  91          2HB       TYR  91  -5.941   8.917   8.917
  708   2HB   TYR  91          1HB       TYR  91  -5.877   7.637   7.637
  709    HD1  TYR  91           HD2      TYR  91  -7.895   6.874   6.874
  710    HD2  TYR  91           HD1      TYR  91  -8.048  10.032  10.032
  711    HE1  TYR  91           HE2      TYR  91 -10.157   7.491   7.491
  712    HE2  TYR  91           HE1      TYR  91 -10.315  10.655  10.655
  713    HH   TYR  91           HH       TYR  91 -12.276   9.224   9.224
  714    H    ILE  92           H        ILE  92  -5.088   6.541   6.541
  715    HA   ILE  92           HA       ILE  92  -6.795   8.338   8.338
  716    HB   ILE  92           HB       ILE  92  -4.891   6.328   6.328
  717   1HG1  ILE  92          2HG1      ILE  92  -7.660   5.362   5.362
  718   2HG1  ILE  92          1HG1      ILE  92  -6.780   5.461   5.461
  719   1HG2  ILE  92          1HG2      ILE  92  -7.515   7.582   7.582
  720   2HG2  ILE  92          3HG2      ILE  92  -6.802   6.229   6.229
  721   3HG2  ILE  92          2HG2      ILE  92  -5.944   7.766   7.766
  722   1HD1  ILE  92          1HD1      ILE  92  -5.305   4.290   4.290
  723   2HD1  ILE  92          3HD1      ILE  92  -6.628   3.327   3.327
  724   3HD1  ILE  92          2HD1      ILE  92  -5.297   3.821   3.821
  725    H    CYS  93           H        CYS  93  -5.855   9.457   9.457
  726    HA   CYS  93           HA       CYS  93  -3.029  10.418  10.418
  727   1HB   CYS  93          2HB       CYS  93  -4.668  12.256  12.256
  728   2HB   CYS  93          1HB       CYS  93  -5.420  11.842  11.842
  729    H    VAL  94           H        VAL  94  -1.916   9.095   9.095
  730    HA   VAL  94           HA       VAL  94  -2.982   8.707   8.707
  731    HB   VAL  94           HB       VAL  94  -2.028   6.473   6.473
  732   1HG1  VAL  94          2HG1      VAL  94  -3.588   7.266   7.266
  733   2HG1  VAL  94          1HG1      VAL  94  -3.179   5.591   5.591
  734   3HG1  VAL  94          3HG1      VAL  94  -4.189   6.502   6.502
  735   1HG2  VAL  94          3HG2      VAL  94   0.023   7.025   7.025
  736   2HG2  VAL  94          2HG2      VAL  94  -0.820   5.646   5.646
  737   3HG2  VAL  94          1HG2      VAL  94  -0.954   7.239   7.239
  738    H    LYS  95           H        LYS  95  -0.935   7.601   7.601
  739    HA   LYS  95           HA       LYS  95   1.503   9.183   9.183
  740   1HB   LYS  95          2HB       LYS  95  -0.336   9.472   9.472
  741   2HB   LYS  95          1HB       LYS  95   1.403   9.598   9.598
  742   1HG   LYS  95          2HG       LYS  95   1.522  11.634  11.634
  743   2HG   LYS  95          1HG       LYS  95   0.545  11.122  11.122
  744   1HD   LYS  95          2HD       LYS  95  -0.877  12.681  12.681
  745   2HD   LYS  95          1HD       LYS  95  -1.418  11.223  11.223
  746   1HE   LYS  95          2HE       LYS  95  -1.079  12.526  12.526
  747   2HE   LYS  95          1HE       LYS  95   0.576  11.951  11.951
  748   1HZ   LYS  95          1HZ       LYS  95   0.970  13.945  13.945
  749   2HZ   LYS  95          3HZ       LYS  95  -0.560  14.518  14.518
  750   3HZ   LYS  95          2HZ       LYS  95   0.646  14.297  14.297
  751    H    CYS  96           H        CYS  96   3.374   8.233   8.233
  752    HA   CYS  96           HA       CYS  96   2.881   5.430   5.430
  753   1HB   CYS  96          2HB       CYS  96   5.462   6.273   6.273
  754   2HB   CYS  96          1HB       CYS  96   4.740   4.671   4.671
  755    H    GLU  97           H        GLU  97   3.387   5.061   5.061
  756    HA   GLU  97           HA       GLU  97   5.820   6.291   6.291
  757   1HB   GLU  97          2HB       GLU  97   3.842   7.352   7.352
  758   2HB   GLU  97          1HB       GLU  97   3.164   5.764   5.764
  759   1HG   GLU  97          2HG       GLU  97   4.677   5.343   5.343
  760   2HG   GLU  97          1HG       GLU  97   5.928   6.361   6.361
  761    H    ASN  98           H        ASN  98   7.015   4.636   4.636
  762    HA   ASN  98           HA       ASN  98   7.748   2.370   2.370
  763   1HB   ASN  98          2HB       ASN  98   4.830   2.388   2.388
  764   2HB   ASN  98          1HB       ASN  98   5.590   0.813   0.813
  765   1HD2  ASN  98          2HD2      ASN  98   7.420   3.081   3.081
  766   2HD2  ASN  98          1HD2      ASN  98   7.085   3.767   3.767
  767    H    GLN  99           H        GLN  99   7.031   3.457   3.457
  768    HA   GLN  99           HA       GLN  99   6.768   2.987   2.987
  769   1HB   GLN  99          2HB       GLN  99   7.708   0.816   0.816
  770   2HB   GLN  99          1HB       GLN  99   8.790   1.738   1.738
  771   1HG   GLN  99          2HG       GLN  99   8.314   0.292   0.292
  772   2HG   GLN  99          1HG       GLN  99   7.057  -0.547  -0.547
  773   1HE2  GLN  99          2HE2      GLN  99   9.421  -2.355  -2.355
  774   2HE2  GLN  99          1HE2      GLN  99   7.870  -1.668  -1.668
  775    H    TYR 100           H        TYR 100   4.520   1.792   1.792
  776    HA   TYR 100           HA       TYR 100   3.034   0.512   0.512
  777   1HB   TYR 100          2HB       TYR 100   2.202  -1.045  -1.045
  778   2HB   TYR 100          1HB       TYR 100   3.395  -0.497  -0.497
  779    HD1  TYR 100           HD2      TYR 100  -0.086   0.391   0.391
  780    HD2  TYR 100           HD1      TYR 100   2.631   0.173   0.173
  781    HE1  TYR 100           HE2      TYR 100  -1.904   1.110   1.110
  782    HE2  TYR 100           HE1      TYR 100   0.804   0.882   0.882
  783    HH   TYR 100           HH       TYR 100  -2.107   2.196   2.196
  784    HA   PRO 101           HA       PRO 101   0.722   4.264   4.264
  785   1HB   PRO 101          2HB       PRO 101  -1.792   3.283   3.283
  786   2HB   PRO 101          1HB       PRO 101  -0.511   3.542   3.542
  787   1HG   PRO 101          2HG       PRO 101  -1.414   0.986   0.986
  788   2HG   PRO 101          1HG       PRO 101  -0.813   1.255   1.255
  789   1HD   PRO 101          2HD       PRO 101   0.751   0.160   0.160
  790   2HD   PRO 101          1HD       PRO 101   1.420   1.135   1.135
  791    H    VAL 102           H        VAL 102   0.954   4.697   4.697
  792    HA   VAL 102           HA       VAL 102  -0.859   3.530   3.530
  793    HB   VAL 102           HB       VAL 102   1.388   5.561   5.561
  794   1HG1  VAL 102          3HG1      VAL 102  -0.298   6.145   6.145
  795   2HG1  VAL 102          2HG1      VAL 102  -0.158   4.506   4.506
  796   3HG1  VAL 102          1HG1      VAL 102   1.229   5.590   5.590
  797   1HG2  VAL 102          1HG2      VAL 102   1.483   2.857   2.857
  798   2HG2  VAL 102          3HG2      VAL 102   2.696   3.830   3.830
  799   3HG2  VAL 102          2HG2      VAL 102   1.405   3.068   3.068
  800    H    HIS 103           H        HIS 103  -0.932   6.249   6.249
  801    HA   HIS 103           HA       HIS 103  -3.282   7.272   7.272
  802   1HB   HIS 103          2HB       HIS 103  -1.827   9.570   9.570
  803   2HB   HIS 103          1HB       HIS 103  -2.231   9.145   9.145
  804    HD1  HIS 103           HD1      HIS 103  -0.166   9.090   9.090
  805    HD2  HIS 103           HD2      HIS 103   0.623   7.706   7.706
  806    HE1  HIS 103           HE1      HIS 103   2.272   8.357   8.357
  807    H    PHE 104           H        PHE 104  -4.928   7.362   7.362
  808    HA   PHE 104           HA       PHE 104  -4.257   7.877   7.877
  809   1HB   PHE 104          2HB       PHE 104  -6.389   6.279   6.279
  810   2HB   PHE 104          1HB       PHE 104  -6.949   7.302   7.302
  811    HD1  PHE 104           HD2      PHE 104  -3.611   5.645   5.645
  812    HD2  PHE 104           HD1      PHE 104  -7.299   5.797   5.797
  813    HE1  PHE 104           HE2      PHE 104  -2.703   4.052   4.052
  814    HE2  PHE 104           HE1      PHE 104  -6.388   4.174   4.174
  815    HZ   PHE 104           HZ       PHE 104  -4.091   3.290   3.290
  816    H    ALA 105           H        ALA 105  -4.588   9.970   9.970
  817    HA   ALA 105           HA       ALA 105  -6.040  11.807  11.807
  818   1HB   ALA 105          2HB       ALA 105  -3.762  12.299  12.299
  819   2HB   ALA 105          1HB       ALA 105  -4.601  12.557  12.557
  820   3HB   ALA 105          3HB       ALA 105  -4.965  13.581  13.581
  821    H    GLY 106           H        GLY 106  -6.551  10.437  10.437
  822   1HA   GLY 106          2HA       GLY 106  -9.318  11.229  11.229
  823   2HA   GLY 106          1HA       GLY 106  -8.393  12.338  12.338
  824    H    ILE 107           H        ILE 107  -9.949  11.362  11.362
  825    HA   ILE 107           HA       ILE 107  -9.222   8.665   8.665
  826    HB   ILE 107           HB       ILE 107 -11.314  10.586  10.586
  827   1HG1  ILE 107          2HG1      ILE 107 -11.740   8.233   8.233
  828   2HG1  ILE 107          1HG1      ILE 107 -11.561   9.886   9.886
  829   1HG2  ILE 107          2HG2      ILE 107 -10.526   7.756   7.756
  830   2HG2  ILE 107          1HG2      ILE 107 -12.241   8.165   8.165
  831   3HG2  ILE 107          3HG2      ILE 107 -11.099   9.000   9.000
  832   1HD1  ILE 107          1HD1      ILE 107 -13.427  10.209  10.209
  833   2HD1  ILE 107          3HD1      ILE 107 -13.844   8.617   8.617
  834   3HD1  ILE 107          2HD1      ILE 107 -13.814  10.011  10.011
  835    H    GLY 108           H        GLY 108  -7.212  10.730  10.730
  836   1HA   GLY 108          2HA       GLY 108  -5.561  10.988  10.988
  837   2HA   GLY 108          1HA       GLY 108  -6.773  10.563  10.563
  838    H    ARG 109           H        ARG 109  -6.827  13.059  13.059
  839    HA   ARG 109           HA       ARG 109  -6.666  15.210  15.210
  840   1HB   ARG 109          2HB       ARG 109  -9.156  14.441  14.441
  841   2HB   ARG 109          1HB       ARG 109  -8.797  16.167  16.167
  842   1HG   ARG 109          2HG       ARG 109  -9.933  15.918  15.918
  843   2HG   ARG 109          1HG       ARG 109  -8.289  15.589  15.589
  844   1HD   ARG 109          2HD       ARG 109  -8.938  13.546  13.546
  845   2HD   ARG 109          1HD       ARG 109  -9.351  13.132  13.132
  846    HE   ARG 109           HE       ARG 109 -11.559  14.532  14.532
  847   1HH1  ARG 109          2HH1      ARG 109 -11.725  14.217  14.217
  848   2HH1  ARG 109          1HH1      ARG 109 -12.172  12.573  12.573
  849   1HH2  ARG 109          1HH2      ARG 109 -11.261  11.454  11.454
  850   2HH2  ARG 109          2HH2      ARG 109 -11.906  11.009  11.009
  851    H    CYS 110           H        CYS 110  -4.868  16.061  16.061
  852    HA   CYS 110           HA       CYS 110  -5.186  17.554  17.554
  853   1HB   CYS 110          2HB       CYS 110  -3.260  16.338  16.338
  854   2HB   CYS 110          1HB       CYS 110  -4.770  15.433  15.433
  855    HA   PRO 111           HA       PRO 111  -1.933  18.953  18.953
  856   1HB   PRO 111          2HB       PRO 111  -3.215  21.226  21.226
  857   2HB   PRO 111          1HB       PRO 111  -3.401  19.646  19.646
  858   1HG   PRO 111          2HG       PRO 111  -5.311  21.104  21.104
  859   2HG   PRO 111          1HG       PRO 111  -5.641  19.909  19.909
  860   1HD   PRO 111          1HD       PRO 111  -5.641  19.423  19.423
  861   2HD   PRO 111          2HD       PRO 111  -5.648  18.185  18.185

  Start of MODEL   15
    1    HN   PCA   1           HN       PCA   1  -3.852   2.856   2.856
    2    HA   PCA   1           HA       PCA   1  -2.540   3.770   3.770
    3   1HB   PCA   1          1HB       PCA   1  -3.713   3.785   3.785
    4   2HB   PCA   1          2HB       PCA   1  -3.687   2.010   2.010
    5   1HG   PCA   1          1HG       PCA   1  -5.890   3.747   3.747
    6   2HG   PCA   1          2HG       PCA   1  -5.862   1.973   1.973
    7    H    ASN   2           H        ASN   2  -3.883   0.474   0.474
    8    HA   ASN   2           HA       ASN   2  -1.083  -0.584  -0.584
    9   1HB   ASN   2          2HB       ASN   2  -2.243  -1.178  -1.178
   10   2HB   ASN   2          1HB       ASN   2  -3.547  -1.911  -1.911
   11   1HD2  ASN   2          2HD2      ASN   2   0.115  -3.813  -3.813
   12   2HD2  ASN   2          1HD2      ASN   2   0.068  -2.123  -2.123
   13    H    TRP   3           H        TRP   3  -0.936  -2.695  -2.695
   14    HA   TRP   3           HA       TRP   3  -2.030  -2.360  -2.360
   15   1HB   TRP   3          2HB       TRP   3   0.017  -3.915  -3.915
   16   2HB   TRP   3          1HB       TRP   3  -1.065  -5.060  -5.060
   17    HD1  TRP   3           HD1      TRP   3   1.944  -3.386  -3.386
   18    HE1  TRP   3           HE1      TRP   3   2.442  -3.110  -3.110
   19    HE3  TRP   3           HE3      TRP   3  -2.749  -4.116  -4.116
   20    HZ2  TRP   3           HZ2      TRP   3   1.078  -3.206  -3.206
   21    HZ3  TRP   3           HZ3      TRP   3  -3.089  -4.041  -4.041
   22    HH2  TRP   3           HH2      TRP   3  -1.183  -3.593  -3.593
   23    H    ALA   4           H        ALA   4  -3.135  -4.183  -4.183
   24    HA   ALA   4           HA       ALA   4  -4.831  -6.063  -6.063
   25   1HB   ALA   4          1HB       ALA   4  -4.462  -5.235  -5.235
   26   2HB   ALA   4          3HB       ALA   4  -5.944  -6.089  -6.089
   27   3HB   ALA   4          2HB       ALA   4  -4.376  -6.842  -6.842
   28    H    THR   5           H        THR   5  -5.793  -3.358  -3.358
   29    HA   THR   5           HA       THR   5  -8.513  -3.237  -3.237
   30    HB   THR   5           HB       THR   5  -7.738  -0.590  -0.590
   31    HG1  THR   5           HG1      THR   5  -6.142  -0.870  -0.870
   32   1HG2  THR   5          3HG2      THR   5  -9.380  -2.822  -2.822
   33   2HG2  THR   5          2HG2      THR   5  -8.820  -1.713  -1.713
   34   3HG2  THR   5          1HG2      THR   5  -9.755  -1.102  -1.102
   35    H    PHE   6           H        PHE   6  -5.532  -1.694  -1.694
   36    HA   PHE   6           HA       PHE   6  -6.762  -0.021  -0.021
   37   1HB   PHE   6          2HB       PHE   6  -4.494   0.416   0.416
   38   2HB   PHE   6          1HB       PHE   6  -3.943  -1.020  -1.020
   39    HD1  PHE   6           HD2      PHE   6  -4.172  -1.143  -1.143
   40    HD2  PHE   6           HD1      PHE   6  -4.864   2.519   2.519
   41    HE1  PHE   6           HE2      PHE   6  -4.007   0.127   0.127
   42    HE2  PHE   6           HE1      PHE   6  -4.710   3.801   3.801
   43    HZ   PHE   6           HZ       PHE   6  -4.288   2.588   2.588
   44    H    GLN   7           H        GLN   7  -5.803  -3.363  -3.363
   45    HA   GLN   7           HA       GLN   7  -5.561  -4.042  -4.042
   46   1HB   GLN   7          2HB       GLN   7  -5.293  -5.670  -5.670
   47   2HB   GLN   7          1HB       GLN   7  -7.054  -5.736  -5.736
   48   1HG   GLN   7          2HG       GLN   7  -7.229  -6.976  -6.976
   49   2HG   GLN   7          1HG       GLN   7  -5.902  -6.129  -6.129
   50   1HE2  GLN   7          2HE2      GLN   7  -4.637  -8.955  -8.955
   51   2HE2  GLN   7          1HE2      GLN   7  -5.803  -7.814  -7.814
   52    H    GLN   8           H        GLN   8  -8.309  -3.251  -3.251
   53    HA   GLN   8           HA       GLN   8 -10.326  -3.855  -3.855
   54   1HB   GLN   8          2HB       GLN   8 -10.281  -2.927  -2.927
   55   2HB   GLN   8          1HB       GLN   8 -11.457  -2.049  -2.049
   56   1HG   GLN   8          2HG       GLN   8 -12.751  -3.856  -3.856
   57   2HG   GLN   8          1HG       GLN   8 -12.013  -4.510  -4.510
   58   1HE2  GLN   8          2HE2      GLN   8 -11.160  -6.168  -6.168
   59   2HE2  GLN   8          1HE2      GLN   8 -12.255  -4.880  -4.880
   60    H    LYS   9           H        LYS   9  -8.658  -0.987  -0.987
   61    HA   LYS   9           HA       LYS   9  -9.903   1.120   1.120
   62   1HB   LYS   9          2HB       LYS   9  -6.980   0.666   0.666
   63   2HB   LYS   9          1HB       LYS   9  -7.522   2.135   2.135
   64   1HG   LYS   9          2HG       LYS   9  -8.547   1.116   1.116
   65   2HG   LYS   9          1HG       LYS   9  -7.375   2.418   2.418
   66   1HD   LYS   9          2HD       LYS   9  -9.426   3.211   3.211
   67   2HD   LYS   9          1HD       LYS   9 -10.304   2.456   2.456
   68   1HE   LYS   9          2HE       LYS   9 -10.061   4.711   4.711
   69   2HE   LYS   9          1HE       LYS   9  -8.792   3.859   3.859
   70   1HZ   LYS   9          1HZ       LYS   9  -7.309   4.437   4.437
   71   2HZ   LYS   9          3HZ       LYS   9  -8.527   5.501   5.501
   72   3HZ   LYS   9          2HZ       LYS   9  -7.776   5.735   5.735
   73    H    HIS  10           H        HIS  10  -7.246  -0.763  -0.763
   74    HA   HIS  10           HA       HIS  10  -7.920   0.440   0.440
   75   1HB   HIS  10          2HB       HIS  10  -5.505  -0.869  -0.869
   76   2HB   HIS  10          1HB       HIS  10  -5.848  -1.243  -1.243
   77    HD1  HIS  10           HD1      HIS  10  -3.422   0.510   0.510
   78    HD2  HIS  10           HD2      HIS  10  -7.092   2.002   2.002
   79    HE1  HIS  10           HE1      HIS  10  -2.965   2.812   2.812
   80    H    ILE  11           H        ILE  11  -8.473  -2.549  -2.549
   81    HA   ILE  11           HA       ILE  11  -9.378  -3.716  -3.716
   82    HB   ILE  11           HB       ILE  11  -8.200  -5.398  -5.398
   83   1HG1  ILE  11          2HG1      ILE  11  -6.440  -3.852  -3.852
   84   2HG1  ILE  11          1HG1      ILE  11  -6.117  -5.456  -5.456
   85   1HG2  ILE  11          3HG2      ILE  11  -9.706  -6.212  -6.212
   86   2HG2  ILE  11          2HG2      ILE  11  -8.188  -6.077  -6.077
   87   3HG2  ILE  11          1HG2      ILE  11  -8.299  -7.141  -7.141
   88   1HD1  ILE  11          3HD1      ILE  11  -7.751  -4.085  -4.085
   89   2HD1  ILE  11          2HD1      ILE  11  -6.446  -2.995  -2.995
   90   3HD1  ILE  11          1HD1      ILE  11  -6.077  -4.587  -4.587
   91    H    ILE  12           H        ILE  12 -11.499  -2.925  -2.925
   92    HA   ILE  12           HA       ILE  12 -12.914  -4.601  -4.601
   93    HB   ILE  12           HB       ILE  12 -13.958  -2.256  -2.256
   94   1HG1  ILE  12          2HG1      ILE  12 -12.298  -1.471  -1.471
   95   2HG1  ILE  12          1HG1      ILE  12 -13.906  -1.010  -1.010
   96   1HG2  ILE  12          1HG2      ILE  12 -15.140  -3.885  -3.885
   97   2HG2  ILE  12          3HG2      ILE  12 -15.823  -2.358  -2.358
   98   3HG2  ILE  12          2HG2      ILE  12 -15.748  -3.742  -3.742
   99   1HD1  ILE  12          3HD1      ILE  12 -13.955  -2.997  -2.997
  100   2HD1  ILE  12          2HD1      ILE  12 -12.311  -3.394  -3.394
  101   3HD1  ILE  12          1HD1      ILE  12 -12.624  -1.909  -1.909
  102    H    ASN  13           H        ASN  13 -12.375  -6.411  -6.411
  103    HA   ASN  13           HA       ASN  13 -13.500  -6.436  -6.436
  104   1HB   ASN  13          2HB       ASN  13 -12.634  -8.804  -8.804
  105   2HB   ASN  13          1HB       ASN  13 -11.416  -7.581  -7.581
  106   1HD2  ASN  13          2HD2      ASN  13 -10.551  -9.329  -9.329
  107   2HD2  ASN  13          1HD2      ASN  13 -10.038  -8.547  -8.547
  108    H    THR  14           H        THR  14 -15.700  -5.967  -5.967
  109    HA   THR  14           HA       THR  14 -17.252  -8.476  -8.476
  110    HB   THR  14           HB       THR  14 -18.450  -7.996  -7.996
  111    HG1  THR  14           HG1      THR  14 -17.635  -6.314  -6.314
  112   1HG2  THR  14          1HG2      THR  14 -16.112  -9.211  -9.211
  113   2HG2  THR  14          3HG2      THR  14 -15.560  -7.797  -7.797
  114   3HG2  THR  14          2HG2      THR  14 -16.829  -8.826  -8.826
  115    HA   PRO  15           HA       PRO  15 -19.059  -4.618  -4.618
  116   1HB   PRO  15          2HB       PRO  15 -18.836  -5.380  -5.380
  117   2HB   PRO  15          1HB       PRO  15 -17.578  -4.492  -4.492
  118   1HG   PRO  15          2HG       PRO  15 -17.613  -7.336  -7.336
  119   2HG   PRO  15          1HG       PRO  15 -16.232  -6.295  -6.295
  120   1HD   PRO  15          2HD       PRO  15 -17.394  -8.286  -8.286
  121   2HD   PRO  15          1HD       PRO  15 -16.118  -7.130  -7.130
  122    H    ILE  16           H        ILE  16 -20.547  -6.783  -6.783
  123    HA   ILE  16           HA       ILE  16 -22.315  -8.016  -8.016
  124    HB   ILE  16           HB       ILE  16 -23.653  -8.618  -8.618
  125   1HG1  ILE  16          2HG1      ILE  16 -21.529  -7.155  -7.155
  126   2HG1  ILE  16          1HG1      ILE  16 -23.069  -6.405  -6.405
  127   1HG2  ILE  16          2HG2      ILE  16 -21.066  -9.454  -9.454
  128   2HG2  ILE  16          1HG2      ILE  16 -21.009  -9.228  -9.228
  129   3HG2  ILE  16          3HG2      ILE  16 -22.205 -10.311 -10.311
  130   1HD1  ILE  16          1HD1      ILE  16 -24.253  -8.298  -8.298
  131   2HD1  ILE  16          3HD1      ILE  16 -22.692  -8.966  -8.966
  132   3HD1  ILE  16          2HD1      ILE  16 -23.219  -7.413  -7.413
  133    H    ILE  17           H        ILE  17 -24.882  -7.492  -7.492
  134    HA   ILE  17           HA       ILE  17 -25.294  -4.703  -4.703
  135    HB   ILE  17           HB       ILE  17 -27.654  -5.406  -5.406
  136   1HG1  ILE  17          2HG1      ILE  17 -26.709  -8.147  -8.147
  137   2HG1  ILE  17          1HG1      ILE  17 -27.581  -7.040  -7.040
  138   1HG2  ILE  17          2HG2      ILE  17 -25.830  -5.850  -5.850
  139   2HG2  ILE  17          1HG2      ILE  17 -25.790  -7.509  -7.509
  140   3HG2  ILE  17          3HG2      ILE  17 -27.263  -6.871  -6.871
  141   1HD1  ILE  17          1HD1      ILE  17 -29.115  -7.067  -7.067
  142   2HD1  ILE  17          3HD1      ILE  17 -28.597  -8.743  -8.743
  143   3HD1  ILE  17          2HD1      ILE  17 -29.472  -7.943  -7.943
  144    H    ASN  18           H        ASN  18 -24.252  -4.900  -4.900
  145    HA   ASN  18           HA       ASN  18 -26.333  -3.480  -3.480
  146   1HB   ASN  18          2HB       ASN  18 -25.237  -6.174  -6.174
  147   2HB   ASN  18          1HB       ASN  18 -25.908  -5.023  -5.023
  148   1HD2  ASN  18          2HD2      ASN  18 -28.405  -7.178  -7.178
  149   2HD2  ASN  18          1HD2      ASN  18 -26.720  -7.359  -7.359
  150    H    CYS  19           H        CYS  19 -24.960  -1.690  -1.690
  151    HA   CYS  19           HA       CYS  19 -22.120  -1.968  -1.968
  152   1HB   CYS  19          2HB       CYS  19 -23.695   0.616   0.616
  153   2HB   CYS  19          1HB       CYS  19 -21.978   0.398   0.398
  154    H    ASN  20           H        ASN  20 -24.970  -1.958  -1.958
  155    HA   ASN  20           HA       ASN  20 -23.953  -0.585  -0.585
  156   1HB   ASN  20          2HB       ASN  20 -25.623  -2.073  -2.073
  157   2HB   ASN  20          1HB       ASN  20 -26.302  -1.037  -1.037
  158   1HD2  ASN  20          2HD2      ASN  20 -27.319  -3.750  -3.750
  159   2HD2  ASN  20          1HD2      ASN  20 -27.129  -2.067  -2.067
  160    H    THR  21           H        THR  21 -23.954  -4.046  -4.046
  161    HA   THR  21           HA       THR  21 -22.324  -4.805  -4.805
  162    HB   THR  21           HB       THR  21 -22.878  -6.387  -6.387
  163    HG1  THR  21           HG1      THR  21 -24.824  -6.194  -6.194
  164   1HG2  THR  21          1HG2      THR  21 -20.981  -7.178  -7.178
  165   2HG2  THR  21          3HG2      THR  21 -22.092  -7.283  -7.283
  166   3HG2  THR  21          2HG2      THR  21 -22.329  -8.315  -8.315
  167    H    ILE  22           H        ILE  22 -21.655  -3.506  -3.506
  168    HA   ILE  22           HA       ILE  22 -18.890  -4.501  -4.501
  169    HB   ILE  22           HB       ILE  22 -20.178  -2.423  -2.423
  170   1HG1  ILE  22          2HG1      ILE  22 -19.805  -5.369  -5.369
  171   2HG1  ILE  22          1HG1      ILE  22 -21.296  -4.735  -4.735
  172   1HG2  ILE  22          1HG2      ILE  22 -17.651  -4.072  -4.072
  173   2HG2  ILE  22          3HG2      ILE  22 -18.343  -3.352  -3.352
  174   3HG2  ILE  22          2HG2      ILE  22 -17.811  -2.324  -2.324
  175   1HD1  ILE  22          1HD1      ILE  22 -20.171  -3.435  -3.435
  176   2HD1  ILE  22          3HD1      ILE  22 -21.038  -4.962  -4.962
  177   3HD1  ILE  22          2HD1      ILE  22 -21.848  -3.556  -3.556
  178    H    MET  23           H        MET  23 -20.479  -1.945  -1.945
  179    HA   MET  23           HA       MET  23 -17.877  -0.501  -0.501
  180   1HB   MET  23          2HB       MET  23 -19.155   1.595   1.595
  181   2HB   MET  23          1HB       MET  23 -19.414   0.908   0.908
  182   1HG   MET  23          2HG       MET  23 -21.626   0.910   0.910
  183   2HG   MET  23          1HG       MET  23 -21.378  -0.235  -0.235
  184   1HE   MET  23          1HE       MET  23 -23.711   1.471   1.471
  185   2HE   MET  23          3HE       MET  23 -23.725   3.011   3.011
  186   3HE   MET  23          2HE       MET  23 -23.064   2.922   2.922
  187    H    ASP  24           H        ASP  24 -19.909  -2.506  -2.506
  188    HA   ASP  24           HA       ASP  24 -20.477  -1.272  -1.272
  189   1HB   ASP  24          2HB       ASP  24 -19.943  -4.126  -4.126
  190   2HB   ASP  24          1HB       ASP  24 -20.244  -3.729  -3.729
  191    H    ASN  25           H        ASN  25 -18.694   0.018   0.018
  192    HA   ASN  25           HA       ASN  25 -16.614  -1.227  -1.227
  193   1HB   ASN  25          2HB       ASN  25 -15.805  -1.583  -1.583
  194   2HB   ASN  25          1HB       ASN  25 -15.692   0.154   0.154
  195   1HD2  ASN  25          2HD2      ASN  25 -12.322  -0.473  -0.473
  196   2HD2  ASN  25          1HD2      ASN  25 -13.306  -0.227  -0.227
  197    H    ASN  26           H        ASN  26 -15.428   0.378   0.378
  198    HA   ASN  26           HA       ASN  26 -16.841   2.883   2.883
  199   1HB   ASN  26          2HB       ASN  26 -14.075   2.095   2.095
  200   2HB   ASN  26          1HB       ASN  26 -15.106   3.359   3.359
  201   1HD2  ASN  26          2HD2      ASN  26 -15.511  -0.280  -0.280
  202   2HD2  ASN  26          1HD2      ASN  26 -14.125   0.310   0.310
  203    H    ILE  27           H        ILE  27 -14.527   1.948   1.948
  204    HA   ILE  27           HA       ILE  27 -13.321   4.631   4.631
  205    HB   ILE  27           HB       ILE  27 -12.982   2.200   2.200
  206   1HG1  ILE  27          2HG1      ILE  27 -11.238   3.139   3.139
  207   2HG1  ILE  27          1HG1      ILE  27 -12.384   1.803   1.803
  208   1HG2  ILE  27          1HG2      ILE  27 -11.670   4.887   4.887
  209   2HG2  ILE  27          3HG2      ILE  27 -10.689   3.504   3.504
  210   3HG2  ILE  27          2HG2      ILE  27 -12.089   3.973   3.973
  211   1HD1  ILE  27          1HD1      ILE  27 -11.039   1.073   1.073
  212   2HD1  ILE  27          3HD1      ILE  27  -9.760   1.932   1.932
  213   3HD1  ILE  27          2HD1      ILE  27 -10.567   0.561   0.561
  214    H    TYR  28           H        TYR  28 -16.310   3.715   3.715
  215    HA   TYR  28           HA       TYR  28 -16.416   5.380   5.380
  216   1HB   TYR  28          2HB       TYR  28 -17.452   2.560   2.560
  217   2HB   TYR  28          1HB       TYR  28 -18.192   3.673   3.673
  218    HD1  TYR  28           HD2      TYR  28 -16.366   5.072   5.072
  219    HD2  TYR  28           HD1      TYR  28 -15.762   1.198   1.198
  220    HE1  TYR  28           HE2      TYR  28 -14.552   4.619   4.619
  221    HE2  TYR  28           HE1      TYR  28 -13.947   0.749   0.749
  222    HH   TYR  28           HH       TYR  28 -12.490   3.129   3.129
  223    H    ILE  29           H        ILE  29 -17.181   6.560   6.560
  224    HA   ILE  29           HA       ILE  29 -20.147   6.741   6.741
  225    HB   ILE  29           HB       ILE  29 -18.812   6.291   6.291
  226   1HG1  ILE  29          2HG1      ILE  29 -18.866   4.215   4.215
  227   2HG1  ILE  29          1HG1      ILE  29 -19.875   4.103   4.103
  228   1HG2  ILE  29          1HG2      ILE  29 -21.540   7.077   7.077
  229   2HG2  ILE  29          3HG2      ILE  29 -21.460   5.876   5.876
  230   3HG2  ILE  29          2HG2      ILE  29 -20.691   7.448   7.448
  231   1HD1  ILE  29          2HD1      ILE  29 -21.165   5.087   5.087
  232   2HD1  ILE  29          1HD1      ILE  29 -20.785   3.370   3.370
  233   3HD1  ILE  29          3HD1      ILE  29 -21.843   4.117   4.117
  234    H    VAL  30           H        VAL  30 -20.996   8.677   8.677
  235    HA   VAL  30           HA       VAL  30 -18.972  10.853  10.853
  236    HB   VAL  30           HB       VAL  30 -21.808  11.034  11.034
  237   1HG1  VAL  30          1HG1      VAL  30 -19.652  13.093  13.093
  238   2HG1  VAL  30          3HG1      VAL  30 -20.977  13.374  13.374
  239   3HG1  VAL  30          2HG1      VAL  30 -21.320  13.096  13.096
  240   1HG2  VAL  30          3HG2      VAL  30 -19.062  11.015  11.015
  241   2HG2  VAL  30          2HG2      VAL  30 -20.482  10.071  10.071
  242   3HG2  VAL  30          1HG2      VAL  30 -20.422  11.799  11.799
  243    H    GLY  31           H        GLY  31 -19.955  12.624  12.624
  244   1HA   GLY  31          2HA       GLY  31 -21.179  11.254  11.254
  245   2HA   GLY  31          1HA       GLY  31 -20.480  12.876  12.876
  246    H    GLY  32           H        GLY  32 -23.030  11.258  11.258
  247   1HA   GLY  32          2HA       GLY  32 -25.138  12.973  12.973
  248   2HA   GLY  32          1HA       GLY  32 -24.678  13.375  13.375
  249    H    GLN  33           H        GLN  33 -24.256  11.029  11.029
  250    HA   GLN  33           HA       GLN  33 -26.266   8.990   8.990
  251   1HB   GLN  33          2HB       GLN  33 -26.777  11.077  11.077
  252   2HB   GLN  33          1HB       GLN  33 -27.367   9.433   9.433
  253   1HG   GLN  33          2HG       GLN  33 -28.200   9.805   9.805
  254   2HG   GLN  33          1HG       GLN  33 -28.220  11.483  11.483
  255   1HE2  GLN  33          2HE2      GLN  33 -31.183   9.051   9.051
  256   2HE2  GLN  33          1HE2      GLN  33 -30.082   8.657   8.657
  257    H    CYS  34           H        CYS  34 -25.103  10.169  10.169
  258    HA   CYS  34           HA       CYS  34 -23.317   7.782   7.782
  259   1HB   CYS  34          2HB       CYS  34 -24.942   8.771   8.771
  260   2HB   CYS  34          1HB       CYS  34 -24.135   7.219   7.219
  261    H    LYS  35           H        LYS  35 -22.119   8.149   8.149
  262    HA   LYS  35           HA       LYS  35 -20.937  10.888  10.888
  263   1HB   LYS  35          2HB       LYS  35 -19.685   8.389   8.389
  264   2HB   LYS  35          1HB       LYS  35 -19.443   8.949   8.949
  265   1HG   LYS  35          2HG       LYS  35 -18.917  11.237  11.237
  266   2HG   LYS  35          1HG       LYS  35 -18.316   9.995   9.995
  267   1HD   LYS  35          2HD       LYS  35 -16.752   9.194   9.194
  268   2HD   LYS  35          1HD       LYS  35 -17.601   9.927   9.927
  269   1HE   LYS  35          2HE       LYS  35 -16.886  12.120  12.120
  270   2HE   LYS  35          1HE       LYS  35 -16.348  11.587  11.587
  271   1HZ   LYS  35          3HZ       LYS  35 -14.672  10.201  10.201
  272   2HZ   LYS  35          2HZ       LYS  35 -15.156  10.833  10.833
  273   3HZ   LYS  35          1HZ       LYS  35 -14.465  11.851  11.851
  274    H    ARG  36           H        ARG  36 -20.031  11.607  11.607
  275    HA   ARG  36           HA       ARG  36 -22.282  11.615  11.615
  276   1HB   ARG  36          2HB       ARG  36 -20.861  13.181  13.181
  277   2HB   ARG  36          1HB       ARG  36 -20.993  13.667  13.667
  278   1HG   ARG  36          2HG       ARG  36 -18.807  12.890  12.890
  279   2HG   ARG  36          1HG       ARG  36 -18.702  11.960  11.960
  280   1HD   ARG  36          2HD       ARG  36 -19.160  14.476  14.476
  281   2HD   ARG  36          1HD       ARG  36 -18.212  14.836  14.836
  282    HE   ARG  36           HE       ARG  36 -16.656  12.941  12.941
  283   1HH1  ARG  36          2HH1      ARG  36 -18.677  14.014  14.014
  284   2HH1  ARG  36          1HH1      ARG  36 -17.487  14.814  14.814
  285   1HH2  ARG  36          1HH2      ARG  36 -14.995  14.598  14.598
  286   2HH2  ARG  36          2HH2      ARG  36 -15.402  15.145  15.145
  287    H    VAL  37           H        VAL  37 -19.394   9.722   9.722
  288    HA   VAL  37           HA       VAL  37 -20.094   8.183   8.183
  289    HB   VAL  37           HB       VAL  37 -18.836  10.130  10.130
  290   1HG1  VAL  37          1HG1      VAL  37 -17.238  10.204  10.204
  291   2HG1  VAL  37          3HG1      VAL  37 -16.330   8.972   8.972
  292   3HG1  VAL  37          2HG1      VAL  37 -16.585  10.559  10.559
  293   1HG2  VAL  37          3HG2      VAL  37 -18.877   7.805   7.805
  294   2HG2  VAL  37          2HG2      VAL  37 -17.481   8.781   8.781
  295   3HG2  VAL  37          1HG2      VAL  37 -17.312   7.524   7.524
  296    H    ASN  38           H        ASN  38 -19.937   6.204   6.204
  297    HA   ASN  38           HA       ASN  38 -17.701   5.450   5.450
  298   1HB   ASN  38          2HB       ASN  38 -20.045   3.686   3.686
  299   2HB   ASN  38          1HB       ASN  38 -18.978   3.497   3.497
  300   1HD2  ASN  38          2HD2      ASN  38 -22.265   5.111   5.111
  301   2HD2  ASN  38          1HD2      ASN  38 -21.913   3.717   3.717
  302    H    THR  39           H        THR  39 -16.126   5.535   5.535
  303    HA   THR  39           HA       THR  39 -16.463   3.997   3.997
  304    HB   THR  39           HB       THR  39 -13.887   5.223   5.223
  305    HG1  THR  39           HG1      THR  39 -14.604   7.151   7.151
  306   1HG2  THR  39          2HG2      THR  39 -14.980   4.175   4.175
  307   2HG2  THR  39          1HG2      THR  39 -14.106   5.703   5.703
  308   3HG2  THR  39          3HG2      THR  39 -13.306   4.285   4.285
  309    H    PHE  40           H        PHE  40 -16.016   1.956   1.956
  310    HA   PHE  40           HA       PHE  40 -14.241   0.468   0.468
  311   1HB   PHE  40          2HB       PHE  40 -16.151  -0.543  -0.543
  312   2HB   PHE  40          1HB       PHE  40 -15.302  -1.537  -1.537
  313    HD1  PHE  40           HD2      PHE  40 -15.602   0.040   0.040
  314    HD2  PHE  40           HD1      PHE  40 -18.422  -0.791  -0.791
  315    HE1  PHE  40           HE2      PHE  40 -17.472   0.307   0.307
  316    HE2  PHE  40           HE1      PHE  40 -20.289  -0.524  -0.524
  317    HZ   PHE  40           HZ       PHE  40 -19.815   0.024   0.024
  318    H    ILE  41           H        ILE  41 -12.610  -1.073  -1.073
  319    HA   ILE  41           HA       ILE  41 -11.921  -0.076  -0.076
  320    HB   ILE  41           HB       ILE  41 -10.039  -0.480  -0.480
  321   1HG1  ILE  41          2HG1      ILE  41  -9.517   1.975   1.975
  322   2HG1  ILE  41          1HG1      ILE  41 -11.186   1.845   1.845
  323   1HG2  ILE  41          3HG2      ILE  41  -9.532  -0.183  -0.183
  324   2HG2  ILE  41          2HG2      ILE  41  -8.368   0.450   0.450
  325   3HG2  ILE  41          1HG2      ILE  41  -8.753  -1.272  -1.272
  326   1HD1  ILE  41          1HD1      ILE  41 -10.719   0.952   0.952
  327   2HD1  ILE  41          3HD1      ILE  41 -10.487   2.677   2.677
  328   3HD1  ILE  41          2HD1      ILE  41 -12.033   1.920   1.920
  329    H    ILE  42           H        ILE  42 -11.836  -1.687  -1.687
  330    HA   ILE  42           HA       ILE  42 -11.554  -4.515  -4.515
  331    HB   ILE  42           HB       ILE  42 -12.128  -3.788  -3.788
  332   1HG1  ILE  42          2HG1      ILE  42 -14.263  -3.945  -3.945
  333   2HG1  ILE  42          1HG1      ILE  42 -13.699  -2.434  -2.434
  334   1HG2  ILE  42          3HG2      ILE  42 -12.477  -6.094  -6.094
  335   2HG2  ILE  42          2HG2      ILE  42 -13.693  -5.883  -5.883
  336   3HG2  ILE  42          1HG2      ILE  42 -11.996  -6.071  -6.071
  337   1HD1  ILE  42          3HD1      ILE  42 -14.730  -4.719  -4.719
  338   2HD1  ILE  42          2HD1      ILE  42 -15.803  -3.476  -3.476
  339   3HD1  ILE  42          1HD1      ILE  42 -14.505  -3.034  -3.034
  340    H    SER  43           H        SER  43  -9.423  -5.050  -5.050
  341    HA   SER  43           HA       SER  43  -7.783  -5.387  -5.387
  342   1HB   SER  43          2HB       SER  43  -7.641  -2.944  -2.944
  343   2HB   SER  43          1HB       SER  43  -7.205  -2.858  -2.858
  344    HG   SER  43           HG       SER  43  -5.224  -3.165  -3.165
  345    H    SER  44           H        SER  44  -5.474  -5.975  -5.975
  346    HA   SER  44           HA       SER  44  -5.521  -7.386  -7.386
  347   1HB   SER  44          2HB       SER  44  -3.077  -7.963  -7.963
  348   2HB   SER  44          1HB       SER  44  -4.480  -8.732  -8.732
  349    HG   SER  44           HG       SER  44  -3.487  -7.956  -7.956
  350    H    ALA  45           H        ALA  45  -4.734  -6.541  -6.541
  351    HA   ALA  45           HA       ALA  45  -3.956  -3.902  -3.902
  352   1HB   ALA  45          1HB       ALA  45  -3.650  -6.402  -6.402
  353   2HB   ALA  45          3HB       ALA  45  -2.664  -5.028  -5.028
  354   3HB   ALA  45          2HB       ALA  45  -4.418  -4.877  -4.877
  355    H    THR  46           H        THR  46  -1.851  -6.592  -6.592
  356    HA   THR  46           HA       THR  46   0.598  -5.136  -5.136
  357    HB   THR  46           HB       THR  46   0.522  -7.569  -7.569
  358    HG1  THR  46           HG1      THR  46   2.484  -6.516  -6.516
  359   1HG2  THR  46          1HG2      THR  46  -0.824  -7.337  -7.337
  360   2HG2  THR  46          3HG2      THR  46   0.720  -8.100  -8.100
  361   3HG2  THR  46          2HG2      THR  46  -0.358  -8.828  -8.828
  362    H    THR  47           H        THR  47  -1.375  -5.532  -5.532
  363    HA   THR  47           HA       THR  47   0.585  -4.494  -4.494
  364    HB   THR  47           HB       THR  47  -2.403  -4.139  -4.139
  365    HG1  THR  47           HG1      THR  47  -0.811  -6.420  -6.420
  366   1HG2  THR  47          3HG2      THR  47  -0.311  -3.369  -3.369
  367   2HG2  THR  47          2HG2      THR  47  -0.621  -4.990  -4.990
  368   3HG2  THR  47          1HG2      THR  47  -1.909  -3.786  -3.786
  369    H    VAL  48           H        VAL  48  -1.759  -3.046  -3.046
  370    HA   VAL  48           HA       VAL  48  -1.398  -0.311  -0.311
  371    HB   VAL  48           HB       VAL  48  -2.271  -1.237  -1.237
  372   1HG1  VAL  48          2HG1      VAL  48  -2.311   1.317   1.317
  373   2HG1  VAL  48          1HG1      VAL  48  -3.707   0.966   0.966
  374   3HG1  VAL  48          3HG1      VAL  48  -2.096   1.049   1.049
  375   1HG2  VAL  48          3HG2      VAL  48  -3.625  -1.392  -1.392
  376   2HG2  VAL  48          2HG2      VAL  48  -3.940  -2.294  -2.294
  377   3HG2  VAL  48          1HG2      VAL  48  -4.583  -0.664  -0.664
  378    H    LYS  49           H        LYS  49   0.075  -2.458  -2.458
  379    HA   LYS  49           HA       LYS  49   1.734  -0.576  -0.576
  380   1HB   LYS  49          2HB       LYS  49   1.147  -2.988  -2.988
  381   2HB   LYS  49          1HB       LYS  49   2.410  -3.488  -3.488
  382   1HG   LYS  49          2HG       LYS  49   3.760  -1.590  -1.590
  383   2HG   LYS  49          1HG       LYS  49   2.644  -2.121  -2.121
  384   1HD   LYS  49          2HD       LYS  49   3.335  -4.488  -4.488
  385   2HD   LYS  49          1HD       LYS  49   4.549  -3.870  -3.870
  386   1HE   LYS  49          2HE       LYS  49   4.374  -3.331  -3.331
  387   2HE   LYS  49          1HE       LYS  49   5.629  -4.238  -4.238
  388   1HZ   LYS  49          1HZ       LYS  49   5.841  -2.005  -2.005
  389   2HZ   LYS  49          3HZ       LYS  49   5.163  -1.348  -1.348
  390   3HZ   LYS  49          2HZ       LYS  49   6.620  -2.216  -2.216
  391    H    ALA  50           H        ALA  50   1.982  -2.067  -2.067
  392    HA   ALA  50           HA       ALA  50   4.870  -1.657  -1.657
  393   1HB   ALA  50          1HB       ALA  50   2.773  -2.970  -2.970
  394   2HB   ALA  50          3HB       ALA  50   3.861  -2.031  -2.031
  395   3HB   ALA  50          2HB       ALA  50   4.506  -3.282  -3.282
  396    H    ILE  51           H        ILE  51   1.907   0.008   0.008
  397    HA   ILE  51           HA       ILE  51   3.303   1.966   1.966
  398    HB   ILE  51           HB       ILE  51   0.920   1.472   1.472
  399   1HG1  ILE  51          2HG1      ILE  51   0.063   3.831   3.831
  400   2HG1  ILE  51          1HG1      ILE  51   1.490   4.316   4.316
  401   1HG2  ILE  51          3HG2      ILE  51   0.822   2.255   2.255
  402   2HG2  ILE  51          2HG2      ILE  51  -0.536   2.762   2.762
  403   3HG2  ILE  51          1HG2      ILE  51  -0.125   1.052   1.052
  404   1HD1  ILE  51          3HD1      ILE  51   1.773   2.788   2.788
  405   2HD1  ILE  51          2HD1      ILE  51   1.546   4.537   4.537
  406   3HD1  ILE  51          1HD1      ILE  51   2.946   3.836   3.836
  407    H    CYS  52           H        CYS  52   2.899   1.640   1.640
  408    HA   CYS  52           HA       CYS  52   3.463   4.513   4.513
  409   1HB   CYS  52          2HB       CYS  52   1.803   2.847   2.847
  410   2HB   CYS  52          1HB       CYS  52   3.268   2.594   2.594
  411    H    THR  53           H        THR  53   5.428   2.210   2.210
  412    HA   THR  53           HA       THR  53   7.397   1.920   1.920
  413    HB   THR  53           HB       THR  53   7.922   1.881   1.881
  414    HG1  THR  53           HG1      THR  53   7.264  -0.224  -0.224
  415   1HG2  THR  53          3HG2      THR  53   9.724   1.737   1.737
  416   2HG2  THR  53          2HG2      THR  53   9.194   0.054   0.054
  417   3HG2  THR  53          1HG2      THR  53   9.862   0.747   0.747
  418    H    GLY  54           H        GLY  54   8.264   3.755   3.755
  419   1HA   GLY  54          2HA       GLY  54   9.765   5.599   5.599
  420   2HA   GLY  54          1HA       GLY  54   8.462   6.332   6.332
  421    H    VAL  55           H        VAL  55   8.592   5.551   5.551
  422    HA   VAL  55           HA       VAL  55  11.240   5.054   5.054
  423    HB   VAL  55           HB       VAL  55  11.227   7.478   7.478
  424   1HG1  VAL  55          1HG1      VAL  55   8.953   7.863   7.863
  425   2HG1  VAL  55          3HG1      VAL  55  10.043   8.277   8.277
  426   3HG1  VAL  55          2HG1      VAL  55  10.123   9.168   9.168
  427   1HG2  VAL  55          1HG2      VAL  55  12.633   6.255   6.255
  428   2HG2  VAL  55          3HG2      VAL  55  12.998   7.848   7.848
  429   3HG2  VAL  55          2HG2      VAL  55  12.030   7.706   7.706
  430    H    ILE  56           H        ILE  56  11.006   5.982   5.982
  431    HA   ILE  56           HA       ILE  56   8.702   4.432   4.432
  432    HB   ILE  56           HB       ILE  56  11.015   4.108   4.108
  433   1HG1  ILE  56          2HG1      ILE  56   9.292   5.202   5.202
  434   2HG1  ILE  56          1HG1      ILE  56   8.802   3.763   3.763
  435   1HG2  ILE  56          1HG2      ILE  56  10.606   6.956   6.956
  436   2HG2  ILE  56          3HG2      ILE  56  11.795   5.873   5.873
  437   3HG2  ILE  56          2HG2      ILE  56  11.926   6.317   6.317
  438   1HD1  ILE  56          1HD1      ILE  56  11.218   2.921   2.921
  439   2HD1  ILE  56          3HD1      ILE  56  11.222   4.167   4.167
  440   3HD1  ILE  56          2HD1      ILE  56  10.027   2.871   2.871
  441    H    ASN  57           H        ASN  57   8.172   7.065   7.065
  442    HA   ASN  57           HA       ASN  57   6.165   8.178   8.178
  443   1HB   ASN  57          2HB       ASN  57   8.378   8.786   8.786
  444   2HB   ASN  57          1HB       ASN  57   8.541  10.020  10.020
  445   1HD2  ASN  57          2HD2      ASN  57   5.919  12.023  12.023
  446   2HD2  ASN  57          1HD2      ASN  57   7.045  11.792  11.792
  447    H    MET  58           H        MET  58   4.995   8.944   8.944
  448    HA   MET  58           HA       MET  58   6.174  11.038  11.038
  449   1HB   MET  58          2HB       MET  58   6.747   8.491   8.491
  450   2HB   MET  58          1HB       MET  58   5.245   8.775   8.775
  451   1HG   MET  58          2HG       MET  58   6.175  10.375  10.375
  452   2HG   MET  58          1HG       MET  58   7.210  10.995  10.995
  453   1HE   MET  58          3HE       MET  58   8.662  11.362  11.362
  454   2HE   MET  58          2HE       MET  58   9.818  10.199  10.199
  455   3HE   MET  58          1HE       MET  58   8.187  10.266  10.266
  456    H    ASN  59           H        ASN  59   4.676  11.385  11.385
  457    HA   ASN  59           HA       ASN  59   1.779  10.998  10.998
  458   1HB   ASN  59          2HB       ASN  59   2.687  13.301  13.301
  459   2HB   ASN  59          1HB       ASN  59   2.927  13.640  13.640
  460   1HD2  ASN  59          2HD2      ASN  59  -0.631  14.430  14.430
  461   2HD2  ASN  59          1HD2      ASN  59   0.843  14.489  14.489
  462    H    VAL  60           H        VAL  60   1.228   9.750   9.750
  463    HA   VAL  60           HA       VAL  60   2.100  10.737  10.737
  464    HB   VAL  60           HB       VAL  60   1.840   7.790   7.790
  465   1HG1  VAL  60          2HG1      VAL  60   2.933   9.507   9.507
  466   2HG1  VAL  60          1HG1      VAL  60   3.725   7.963   7.963
  467   3HG1  VAL  60          3HG1      VAL  60   2.012   8.007   8.007
  468   1HG2  VAL  60          2HG2      VAL  60   3.509   8.705   8.705
  469   2HG2  VAL  60          1HG2      VAL  60   4.285   7.712   7.712
  470   3HG2  VAL  60          3HG2      VAL  60   4.360   9.472   9.472
  471    H    LEU  61           H        LEU  61   0.717   9.638   9.638
  472    HA   LEU  61           HA       LEU  61  -2.097   9.319   9.319
  473   1HB   LEU  61          2HB       LEU  61  -1.259  10.578  10.578
  474   2HB   LEU  61          1HB       LEU  61  -2.879  10.534  10.534
  475    HG   LEU  61           HG       LEU  61  -1.714  11.766  11.766
  476   1HD1  LEU  61          1HD1      LEU  61   0.274  11.874  11.874
  477   2HD1  LEU  61          3HD1      LEU  61  -0.032  13.400  13.400
  478   3HD1  LEU  61          2HD1      LEU  61   0.514  11.995  11.995
  479   1HD2  LEU  61          2HD2      LEU  61  -3.491  12.615  12.615
  480   2HD2  LEU  61          1HD2      LEU  61  -2.450  13.854  13.854
  481   3HD2  LEU  61          3HD2      LEU  61  -2.169  13.294  13.294
  482    H    SER  62           H        SER  62  -2.943   7.389   7.389
  483    HA   SER  62           HA       SER  62  -1.626   5.356   5.356
  484   1HB   SER  62          2HB       SER  62  -4.581   5.265   5.265
  485   2HB   SER  62          1HB       SER  62  -3.444   4.060   4.060
  486    HG   SER  62           HG       SER  62  -3.516   4.931   4.931
  487    H    THR  63           H        THR  63  -0.865   6.234   6.234
  488    HA   THR  63           HA       THR  63  -2.653   7.561   7.561
  489    HB   THR  63           HB       THR  63  -0.635   7.021   7.021
  490    HG1  THR  63           HG1      THR  63   1.120   6.273   6.273
  491   1HG2  THR  63          2HG2      THR  63  -1.106   9.048   9.048
  492   2HG2  THR  63          1HG2      THR  63   0.627   8.764   8.764
  493   3HG2  THR  63          3HG2      THR  63  -0.337   9.207   9.207
  494    H    THR  64           H        THR  64  -1.220   4.326   4.326
  495    HA   THR  64           HA       THR  64  -2.394   3.223   3.223
  496    HB   THR  64           HB       THR  64  -1.780   1.632   1.632
  497    HG1  THR  64           HG1      THR  64   0.053   2.743   2.743
  498   1HG2  THR  64          1HG2      THR  64  -2.788   0.620   0.620
  499   2HG2  THR  64          3HG2      THR  64  -1.253   0.989   0.989
  500   3HG2  THR  64          2HG2      THR  64  -1.299  -0.123  -0.123
  501    H    ARG  65           H        ARG  65  -4.507   2.787   2.787
  502    HA   ARG  65           HA       ARG  65  -6.601   3.354   3.354
  503   1HB   ARG  65          2HB       ARG  65  -6.779   1.230   1.230
  504   2HB   ARG  65          1HB       ARG  65  -8.076   2.240   2.240
  505   1HG   ARG  65          2HG       ARG  65  -7.647   3.585   3.585
  506   2HG   ARG  65          1HG       ARG  65  -6.237   4.116   4.116
  507   1HD   ARG  65          2HD       ARG  65  -4.822   3.112   3.112
  508   2HD   ARG  65          1HD       ARG  65  -5.734   1.604   1.604
  509    HE   ARG  65           HE       ARG  65  -7.304   2.792   2.792
  510   1HH1  ARG  65          2HH1      ARG  65  -6.732   5.099   5.099
  511   2HH1  ARG  65          1HH1      ARG  65  -5.298   5.007   5.007
  512   1HH2  ARG  65          1HH2      ARG  65  -4.258   1.988   1.988
  513   2HH2  ARG  65          2HH2      ARG  65  -3.895   3.241   3.241
  514    H    PHE  66           H        PHE  66  -6.669   2.409   2.409
  515    HA   PHE  66           HA       PHE  66  -6.178  -0.544  -0.544
  516   1HB   PHE  66          2HB       PHE  66  -6.400   1.690   1.690
  517   2HB   PHE  66          1HB       PHE  66  -6.474  -0.003  -0.003
  518    HD1  PHE  66           HD2      PHE  66  -4.521  -1.554  -1.554
  519    HD2  PHE  66           HD1      PHE  66  -4.293   2.730   2.730
  520    HE1  PHE  66           HE2      PHE  66  -2.061  -1.691  -1.691
  521    HE2  PHE  66           HE1      PHE  66  -1.826   2.573   2.573
  522    HZ   PHE  66           HZ       PHE  66  -0.712   0.366   0.366
  523    H    GLN  67           H        GLN  67  -8.504   0.181   0.181
  524    HA   GLN  67           HA       GLN  67 -10.892   0.215   0.215
  525   1HB   GLN  67          2HB       GLN  67 -10.002  -2.490  -2.490
  526   2HB   GLN  67          1HB       GLN  67 -11.595  -2.147  -2.147
  527   1HG   GLN  67          2HG       GLN  67  -9.878  -1.063  -1.063
  528   2HG   GLN  67          1HG       GLN  67  -9.022  -2.516  -2.516
  529   1HE2  GLN  67          2HE2      GLN  67 -11.956  -2.994  -2.994
  530   2HE2  GLN  67          1HE2      GLN  67 -11.055  -1.574  -1.574
  531    H    LEU  68           H        LEU  68 -12.076   1.485   1.485
  532    HA   LEU  68           HA       LEU  68 -12.303   0.472   0.472
  533   1HB   LEU  68          2HB       LEU  68 -13.366   2.757   2.757
  534   2HB   LEU  68          1HB       LEU  68 -11.646   2.714   2.714
  535    HG   LEU  68           HG       LEU  68 -11.932   3.641   3.641
  536   1HD1  LEU  68          1HD1      LEU  68 -14.864   2.981   2.981
  537   2HD1  LEU  68          3HD1      LEU  68 -14.302   4.129   4.129
  538   3HD1  LEU  68          2HD1      LEU  68 -13.788   2.445   2.445
  539   1HD2  LEU  68          1HD2      LEU  68 -12.402   5.105   5.105
  540   2HD2  LEU  68          3HD2      LEU  68 -12.897   5.747   5.747
  541   3HD2  LEU  68          2HD2      LEU  68 -14.091   5.026   5.026
  542    H    ASN  69           H        ASN  69 -14.315   0.430   0.430
  543    HA   ASN  69           HA       ASN  69 -16.755   0.181   0.181
  544   1HB   ASN  69          2HB       ASN  69 -15.745  -1.975  -1.975
  545   2HB   ASN  69          1HB       ASN  69 -16.504  -1.282  -1.282
  546   1HD2  ASN  69          2HD2      ASN  69 -19.844  -1.741  -1.741
  547   2HD2  ASN  69          1HD2      ASN  69 -18.906  -0.735  -0.735
  548    H    THR  70           H        THR  70 -17.581   2.296   2.296
  549    HA   THR  70           HA       THR  70 -17.508   3.132   3.132
  550    HB   THR  70           HB       THR  70 -18.216   4.883   4.883
  551    HG1  THR  70           HG1      THR  70 -16.229   4.636   4.636
  552   1HG2  THR  70          3HG2      THR  70 -18.650   5.598   5.598
  553   2HG2  THR  70          2HG2      THR  70 -16.905   5.535   5.535
  554   3HG2  THR  70          1HG2      THR  70 -17.588   6.663   6.663
  555    H    CYS  71           H        CYS  71 -19.195   3.278   3.278
  556    HA   CYS  71           HA       CYS  71 -21.964   3.233   3.233
  557   1HB   CYS  71          2HB       CYS  71 -20.981   2.599   2.599
  558   2HB   CYS  71          1HB       CYS  71 -22.678   2.716   2.716
  559    H    THR  72           H        THR  72 -22.376   5.423   5.423
  560    HA   THR  72           HA       THR  72 -21.342   7.354   7.354
  561    HB   THR  72           HB       THR  72 -22.510   8.078   8.078
  562    HG1  THR  72           HG1      THR  72 -20.870   7.147   7.147
  563   1HG2  THR  72          1HG2      THR  72 -20.638   9.364   9.364
  564   2HG2  THR  72          3HG2      THR  72 -20.692   9.885   9.885
  565   3HG2  THR  72          2HG2      THR  72 -22.134  10.007  10.007
  566    H    ARG  73           H        ARG  73 -22.647   8.854   8.854
  567    HA   ARG  73           HA       ARG  73 -25.394   8.195   8.195
  568   1HB   ARG  73          2HB       ARG  73 -23.654   9.607   9.607
  569   2HB   ARG  73          1HB       ARG  73 -24.308  10.954  10.954
  570   1HG   ARG  73          2HG       ARG  73 -26.495   9.332   9.332
  571   2HG   ARG  73          1HG       ARG  73 -25.440   9.713   9.713
  572   1HD   ARG  73          2HD       ARG  73 -26.808  11.589  11.589
  573   2HD   ARG  73          1HD       ARG  73 -25.498  12.144  12.144
  574    HE   ARG  73           HE       ARG  73 -27.158  11.105  11.105
  575   1HH1  ARG  73          2HH1      ARG  73 -29.242  11.325  11.325
  576   2HH1  ARG  73          1HH1      ARG  73 -30.016  12.810  12.810
  577   1HH2  ARG  73          1HH2      ARG  73 -27.535  13.755  13.755
  578   2HH2  ARG  73          2HH2      ARG  73 -29.051  14.186  14.186
  579    H    THR  74           H        THR  74 -26.807   8.309   8.309
  580    HA   THR  74           HA       THR  74 -27.033  10.945  10.945
  581    HB   THR  74           HB       THR  74 -27.621   9.476   9.476
  582    HG1  THR  74           HG1      THR  74 -27.093   7.466   7.466
  583   1HG2  THR  74          2HG2      THR  74 -25.490  10.966  10.966
  584   2HG2  THR  74          1HG2      THR  74 -24.707   9.393   9.393
  585   3HG2  THR  74          3HG2      THR  74 -25.574  10.072  10.072
  586    H    SER  75           H        SER  75 -28.757   7.893   7.893
  587    HA   SER  75           HA       SER  75 -31.142   8.652   8.652
  588   1HB   SER  75          2HB       SER  75 -30.955  10.016  10.016
  589   2HB   SER  75          1HB       SER  75 -31.685   8.536   8.536
  590    HG   SER  75           HG       SER  75 -32.641  10.026  10.026
  591    H    ILE  76           H        ILE  76 -32.929   7.057   7.057
  592    HA   ILE  76           HA       ILE  76 -33.744   4.883   4.883
  593    HB   ILE  76           HB       ILE  76 -31.354   4.382   4.382
  594   1HG1  ILE  76          2HG1      ILE  76 -34.047   5.456   5.456
  595   2HG1  ILE  76          1HG1      ILE  76 -32.660   6.506   6.506
  596   1HG2  ILE  76          3HG2      ILE  76 -32.734   2.428   2.428
  597   2HG2  ILE  76          2HG2      ILE  76 -34.171   3.259   3.259
  598   3HG2  ILE  76          1HG2      ILE  76 -32.892   2.799   2.799
  599   1HD1  ILE  76          1HD1      ILE  76 -31.361   5.008   5.008
  600   2HD1  ILE  76          3HD1      ILE  76 -32.919   4.314   4.314
  601   3HD1  ILE  76          2HD1      ILE  76 -32.606   6.028   6.028
  602    H    THR  77           H        THR  77 -33.337   2.723   2.723
  603    HA   THR  77           HA       THR  77 -32.493   1.189   1.189
  604    HB   THR  77           HB       THR  77 -30.226   0.512   0.512
  605    HG1  THR  77           HG1      THR  77 -28.852   2.081   2.081
  606   1HG2  THR  77          1HG2      THR  77 -31.888   0.481   0.481
  607   2HG2  THR  77          3HG2      THR  77 -30.903   1.796   1.796
  608   3HG2  THR  77          2HG2      THR  77 -30.177   0.219   0.219
  609    HA   PRO  78           HA       PRO  78 -31.237   4.473   4.473
  610   1HB   PRO  78          2HB       PRO  78 -33.622   4.640   4.640
  611   2HB   PRO  78          1HB       PRO  78 -33.207   5.686   5.686
  612   1HG   PRO  78          2HG       PRO  78 -35.122   3.413   3.413
  613   2HG   PRO  78          1HG       PRO  78 -35.080   4.799   4.799
  614   1HD   PRO  78          2HD       PRO  78 -34.197   2.154   2.154
  615   2HD   PRO  78          1HD       PRO  78 -33.950   3.597   3.597
  616    H    ARG  79           H        ARG  79 -29.967   3.084   3.084
  617    HA   ARG  79           HA       ARG  79 -31.391   1.276   1.276
  618   1HB   ARG  79          2HB       ARG  79 -30.554   0.102   0.102
  619   2HB   ARG  79          1HB       ARG  79 -28.943   0.316   0.316
  620   1HG   ARG  79          2HG       ARG  79 -29.320  -1.609  -1.609
  621   2HG   ARG  79          1HG       ARG  79 -30.406  -0.668  -0.668
  622   1HD   ARG  79          2HD       ARG  79 -31.726  -2.491  -2.491
  623   2HD   ARG  79          1HD       ARG  79 -32.206  -1.152  -1.152
  624    HE   ARG  79           HE       ARG  79 -30.356  -2.210  -2.210
  625   1HH1  ARG  79          1HH2      ARG  79 -30.156  -4.657  -4.657
  626   2HH1  ARG  79          2HH2      ARG  79 -31.265  -5.738  -5.738
  627   1HH2  ARG  79          2HH1      ARG  79 -32.830  -3.240  -3.240
  628   2HH2  ARG  79          1HH1      ARG  79 -32.779  -4.935  -4.935
  629    HA   PRO  80           HA       PRO  80 -31.725   3.378   3.378
  630   1HB   PRO  80          2HB       PRO  80 -31.273   5.679   5.679
  631   2HB   PRO  80          1HB       PRO  80 -31.649   4.135   4.135
  632   1HG   PRO  80          2HG       PRO  80 -29.062   5.589   5.589
  633   2HG   PRO  80          1HG       PRO  80 -29.618   4.380   4.380
  634   1HD   PRO  80          2HD       PRO  80 -27.835   3.956   3.956
  635   2HD   PRO  80          1HD       PRO  80 -28.510   2.723   2.723
  636    H    CYS  81           H        CYS  81 -28.767   5.370   5.370
  637    HA   CYS  81           HA       CYS  81 -29.796   7.454   7.454
  638   1HB   CYS  81          2HB       CYS  81 -26.994   6.358   6.358
  639   2HB   CYS  81          1HB       CYS  81 -27.353   7.833   7.833
  640    HA   PRO  82           HA       PRO  82 -30.056   5.453   5.453
  641   1HB   PRO  82          2HB       PRO  82 -29.801   7.616   7.616
  642   2HB   PRO  82          1HB       PRO  82 -31.284   7.244   7.244
  643   1HG   PRO  82          2HG       PRO  82 -29.228   9.344   9.344
  644   2HG   PRO  82          1HG       PRO  82 -30.964   9.353   9.353
  645   1HD   PRO  82          2HD       PRO  82 -28.949   8.863   8.863
  646   2HD   PRO  82          1HD       PRO  82 -30.667   8.437   8.437
  647    H    TYR  83           H        TYR  83 -28.559   4.421   4.421
  648    HA   TYR  83           HA       TYR  83 -25.963   5.763   5.763
  649   1HB   TYR  83          2HB       TYR  83 -26.296   3.252   3.252
  650   2HB   TYR  83          1HB       TYR  83 -24.913   3.397   3.397
  651    HD1  TYR  83           HD2      TYR  83 -26.736   5.258   5.258
  652    HD2  TYR  83           HD1      TYR  83 -23.030   4.564   4.564
  653    HE1  TYR  83           HE2      TYR  83 -25.565   6.718   6.718
  654    HE2  TYR  83           HE1      TYR  83 -21.859   6.020   6.020
  655    HH   TYR  83           HH       TYR  83 -23.311   7.056   7.056
  656    H    SER  84           H        SER  84 -25.138   5.237   5.237
  657    HA   SER  84           HA       SER  84 -26.478   3.032   3.032
  658   1HB   SER  84          2HB       SER  84 -26.993   5.541   5.541
  659   2HB   SER  84          1HB       SER  84 -25.376   5.503   5.503
  660    HG   SER  84           HG       SER  84 -27.583   4.624   4.624
  661    H    SER  85           H        SER  85 -25.035   1.549   1.549
  662    HA   SER  85           HA       SER  85 -22.158   2.004   2.004
  663   1HB   SER  85          2HB       SER  85 -23.383  -0.470  -0.470
  664   2HB   SER  85          1HB       SER  85 -21.901  -0.325  -0.325
  665    HG   SER  85           HG       SER  85 -24.590  -0.228  -0.228
  666    H    ARG  86           H        ARG  86 -20.637   2.181   2.181
  667    HA   ARG  86           HA       ARG  86 -21.296   1.718   1.718
  668   1HB   ARG  86          2HB       ARG  86 -20.962   4.433   4.433
  669   2HB   ARG  86          1HB       ARG  86 -20.204   4.143   4.143
  670   1HG   ARG  86          2HG       ARG  86 -22.589   3.057   3.057
  671   2HG   ARG  86          1HG       ARG  86 -23.105   4.181   4.181
  672   1HD   ARG  86          2HD       ARG  86 -22.872   5.962   5.962
  673   2HD   ARG  86          1HD       ARG  86 -21.276   5.436   5.436
  674    HE   ARG  86           HE       ARG  86 -23.173   3.749   3.749
  675   1HH1  ARG  86          2HH1      ARG  86 -21.255   6.427   6.427
  676   2HH1  ARG  86          1HH1      ARG  86 -22.170   7.050   7.050
  677   1HH2  ARG  86          1HH2      ARG  86 -24.783   4.806   4.806
  678   2HH2  ARG  86          2HH2      ARG  86 -24.168   6.134   6.134
  679    H    THR  87           H        THR  87 -19.529   0.724   0.724
  680    HA   THR  87           HA       THR  87 -16.926   0.921   0.921
  681    HB   THR  87           HB       THR  87 -17.376  -0.817  -0.817
  682    HG1  THR  87           HG1      THR  87 -18.209  -1.419  -1.419
  683   1HG2  THR  87          2HG2      THR  87 -15.822  -1.086  -1.086
  684   2HG2  THR  87          1HG2      THR  87 -15.881  -2.314  -2.314
  685   3HG2  THR  87          3HG2      THR  87 -15.151  -0.743  -0.743
  686    H    GLU  88           H        GLU  88 -14.965   1.445   1.445
  687    HA   GLU  88           HA       GLU  88 -14.867   2.259   2.259
  688   1HB   GLU  88          2HB       GLU  88 -16.189   4.120   4.120
  689   2HB   GLU  88          1HB       GLU  88 -14.544   4.749   4.749
  690   1HG   GLU  88          2HG       GLU  88 -14.585   4.541   4.541
  691   2HG   GLU  88          1HG       GLU  88 -16.269   4.030   4.030
  692    H    THR  89           H        THR  89 -12.910   4.168   4.168
  693    HA   THR  89           HA       THR  89 -10.531   2.717   2.717
  694    HB   THR  89           HB       THR  89 -10.995   5.640   5.640
  695    HG1  THR  89           HG1      THR  89 -10.405   4.914   4.914
  696   1HG2  THR  89          3HG2      THR  89  -8.503   4.132   4.132
  697   2HG2  THR  89          2HG2      THR  89  -8.442   5.248   5.248
  698   3HG2  THR  89          1HG2      THR  89  -8.884   5.831   5.831
  699    H    ASN  90           H        ASN  90  -9.113   2.991   2.991
  700    HA   ASN  90           HA       ASN  90 -10.206   4.611   4.611
  701   1HB   ASN  90          2HB       ASN  90 -10.010   2.154   2.154
  702   2HB   ASN  90          1HB       ASN  90  -8.273   2.315   2.315
  703   1HD2  ASN  90          2HD2      ASN  90  -9.717   4.438   4.438
  704   2HD2  ASN  90          1HD2      ASN  90 -10.515   4.557   4.557
  705    H    TYR  91           H        TYR  91  -9.286   6.531   6.531
  706    HA   TYR  91           HA       TYR  91  -6.311   6.757   6.757
  707   1HB   TYR  91          2HB       TYR  91  -7.966   7.934   7.934
  708   2HB   TYR  91          1HB       TYR  91  -8.101   9.121   9.121
  709    HD1  TYR  91           HD1      TYR  91  -5.961  10.130  10.130
  710    HD2  TYR  91           HD2      TYR  91  -6.046   7.842   7.842
  711    HE1  TYR  91           HE1      TYR  91  -3.758  11.074  11.074
  712    HE2  TYR  91           HE2      TYR  91  -3.849   8.787   8.787
  713    HH   TYR  91           HH       TYR  91  -2.586  11.399  11.399
  714    H    ILE  92           H        ILE  92  -5.636   7.030   7.030
  715    HA   ILE  92           HA       ILE  92  -7.427   8.662   8.662
  716    HB   ILE  92           HB       ILE  92  -5.783   6.776   6.776
  717   1HG1  ILE  92          2HG1      ILE  92  -7.892   5.458   5.458
  718   2HG1  ILE  92          1HG1      ILE  92  -6.189   5.445   5.445
  719   1HG2  ILE  92          3HG2      ILE  92  -8.682   7.515   7.515
  720   2HG2  ILE  92          2HG2      ILE  92  -8.199   6.107   6.107
  721   3HG2  ILE  92          1HG2      ILE  92  -7.589   7.707   7.707
  722   1HD1  ILE  92          2HD1      ILE  92  -5.777   4.587   4.587
  723   2HD1  ILE  92          1HD1      ILE  92  -7.498   4.206   4.206
  724   3HD1  ILE  92          3HD1      ILE  92  -6.425   3.455   3.455
  725    H    CYS  93           H        CYS  93  -6.268   9.236   9.236
  726    HA   CYS  93           HA       CYS  93  -3.459  10.185  10.185
  727   1HB   CYS  93          2HB       CYS  93  -4.955  12.126  12.126
  728   2HB   CYS  93          1HB       CYS  93  -5.728  11.673  11.673
  729    H    VAL  94           H        VAL  94  -2.458   8.582   8.582
  730    HA   VAL  94           HA       VAL  94  -3.518   8.155   8.155
  731    HB   VAL  94           HB       VAL  94  -3.442   6.187   6.187
  732   1HG1  VAL  94          3HG1      VAL  94  -1.120   6.961   6.961
  733   2HG1  VAL  94          2HG1      VAL  94  -0.480   6.125   6.125
  734   3HG1  VAL  94          1HG1      VAL  94  -1.409   5.234   5.234
  735   1HG2  VAL  94          2HG2      VAL  94  -3.308   6.166   6.166
  736   2HG2  VAL  94          1HG2      VAL  94  -2.913   4.687   4.687
  737   3HG2  VAL  94          3HG2      VAL  94  -1.621   5.712   5.712
  738    H    LYS  95           H        LYS  95  -1.887   7.635   7.635
  739    HA   LYS  95           HA       LYS  95   0.631   9.132   9.132
  740   1HB   LYS  95          2HB       LYS  95  -1.045   8.843   8.843
  741   2HB   LYS  95          1HB       LYS  95   0.548   9.601   9.601
  742   1HG   LYS  95          2HG       LYS  95  -1.178  10.691  10.691
  743   2HG   LYS  95          1HG       LYS  95  -1.922  10.860  10.860
  744   1HD   LYS  95          2HD       LYS  95   0.962  11.617  11.617
  745   2HD   LYS  95          1HD       LYS  95  -0.350  12.754  12.754
  746   1HE   LYS  95          2HE       LYS  95  -1.128  12.538  12.538
  747   2HE   LYS  95          1HE       LYS  95   0.123  11.340  11.340
  748   1HZ   LYS  95          3HZ       LYS  95   1.697  13.191  13.191
  749   2HZ   LYS  95          2HZ       LYS  95   0.402  14.231  14.231
  750   3HZ   LYS  95          1HZ       LYS  95   1.086  13.274  13.274
  751    H    CYS  96           H        CYS  96   2.562   8.004   8.004
  752    HA   CYS  96           HA       CYS  96   2.050   5.225   5.225
  753   1HB   CYS  96          2HB       CYS  96   3.718   6.238   6.238
  754   2HB   CYS  96          1HB       CYS  96   4.336   4.861   4.861
  755    H    GLU  97           H        GLU  97   2.819   4.740   4.740
  756    HA   GLU  97           HA       GLU  97   5.402   5.904   5.904
  757   1HB   GLU  97          2HB       GLU  97   3.606   6.598   6.598
  758   2HB   GLU  97          1HB       GLU  97   2.974   4.958   4.958
  759   1HG   GLU  97          2HG       GLU  97   4.821   4.194   4.194
  760   2HG   GLU  97          1HG       GLU  97   5.794   5.608   5.608
  761    H    ASN  98           H        ASN  98   6.941   4.237   4.237
  762    HA   ASN  98           HA       ASN  98   7.888   2.051   2.051
  763   1HB   ASN  98          2HB       ASN  98   5.062   1.360   1.360
  764   2HB   ASN  98          1HB       ASN  98   6.326   0.149   0.149
  765   1HD2  ASN  98          2HD2      ASN  98   6.191   1.888   1.888
  766   2HD2  ASN  98          1HD2      ASN  98   4.883   1.604   1.604
  767    H    GLN  99           H        GLN  99   6.664   3.443   3.443
  768    HA   GLN  99           HA       GLN  99   6.020   3.272   3.272
  769   1HB   GLN  99          2HB       GLN  99   7.048   1.471   1.471
  770   2HB   GLN  99          1HB       GLN  99   8.190   2.172   2.172
  771   1HG   GLN  99          2HG       GLN  99   7.976   0.310   0.310
  772   2HG   GLN  99          1HG       GLN  99   6.601  -0.333  -0.333
  773   1HE2  GLN  99          2HE2      GLN  99   8.905  -1.177  -1.177
  774   2HE2  GLN  99          1HE2      GLN  99   7.523  -0.208  -0.208
  775    H    TYR 100           H        TYR 100   4.216   1.736   1.736
  776    HA   TYR 100           HA       TYR 100   2.522   0.488   0.488
  777   1HB   TYR 100          2HB       TYR 100   2.181  -1.306  -1.306
  778   2HB   TYR 100          1HB       TYR 100   3.336  -0.639  -0.639
  779    HD1  TYR 100           HD1      TYR 100  -0.298  -0.044  -0.044
  780    HD2  TYR 100           HD2      TYR 100   2.587  -0.482  -0.482
  781    HE1  TYR 100           HE1      TYR 100  -2.077   0.305   0.305
  782    HE2  TYR 100           HE2      TYR 100   0.797  -0.134  -0.134
  783    HH   TYR 100           HH       TYR 100  -1.913   1.238   1.238
  784    HA   PRO 101           HA       PRO 101   0.100   4.132   4.132
  785   1HB   PRO 101          2HB       PRO 101  -2.416   3.159   3.159
  786   2HB   PRO 101          1HB       PRO 101  -1.207   3.623   3.623
  787   1HG   PRO 101          2HG       PRO 101  -1.927   0.869   0.869
  788   2HG   PRO 101          1HG       PRO 101  -1.499   1.394   1.394
  789   1HD   PRO 101          2HD       PRO 101   0.294   0.115   0.115
  790   2HD   PRO 101          1HD       PRO 101   0.794   1.334   1.334
  791    H    VAL 102           H        VAL 102   0.455   4.249   4.249
  792    HA   VAL 102           HA       VAL 102  -1.227   2.674   2.674
  793    HB   VAL 102           HB       VAL 102   0.878   4.796   4.796
  794   1HG1  VAL 102          1HG1      VAL 102  -0.757   3.007   3.007
  795   2HG1  VAL 102          3HG1      VAL 102   0.831   3.586   3.586
  796   3HG1  VAL 102          2HG1      VAL 102  -0.456   4.739   4.739
  797   1HG2  VAL 102          2HG2      VAL 102   1.188   2.172   2.172
  798   2HG2  VAL 102          1HG2      VAL 102   2.426   3.167   3.167
  799   3HG2  VAL 102          3HG2      VAL 102   1.479   2.056   2.056
  800    H    HIS 103           H        HIS 103  -1.261   5.816   5.816
  801    HA   HIS 103           HA       HIS 103  -3.636   6.511   6.511
  802   1HB   HIS 103          2HB       HIS 103  -2.316   8.974   8.974
  803   2HB   HIS 103          1HB       HIS 103  -2.499   8.185   8.185
  804    HD1  HIS 103           HD1      HIS 103  -0.252   8.082   8.082
  805    HD2  HIS 103           HD2      HIS 103   0.092   7.441   7.441
  806    HE1  HIS 103           HE1      HIS 103   2.200   7.587   7.587
  807    H    PHE 104           H        PHE 104  -5.204   7.738   7.738
  808    HA   PHE 104           HA       PHE 104  -4.496   7.891   7.891
  809   1HB   PHE 104          2HB       PHE 104  -6.769   6.695   6.695
  810   2HB   PHE 104          1HB       PHE 104  -7.357   8.143   8.143
  811    HD1  PHE 104           HD2      PHE 104  -5.444   8.340   8.340
  812    HD2  PHE 104           HD1      PHE 104  -7.429   4.913   4.913
  813    HE1  PHE 104           HE2      PHE 104  -5.210   7.193   7.193
  814    HE2  PHE 104           HE1      PHE 104  -7.215   3.748   3.748
  815    HZ   PHE 104           HZ       PHE 104  -6.116   4.894   4.894
  816    H    ALA 105           H        ALA 105  -4.578   9.860   9.860
  817    HA   ALA 105           HA       ALA 105  -5.276  12.209  12.209
  818   1HB   ALA 105          3HB       ALA 105  -3.528  11.837  11.837
  819   2HB   ALA 105          2HB       ALA 105  -4.037  13.443  13.443
  820   3HB   ALA 105          1HB       ALA 105  -3.082  12.427  12.427
  821    H    GLY 106           H        GLY 106  -6.422  10.510  10.510
  822   1HA   GLY 106          2HA       GLY 106  -8.826  12.021  12.021
  823   2HA   GLY 106          1HA       GLY 106  -7.699  12.655  12.655
  824    H    ILE 107           H        ILE 107  -9.920  11.625  11.625
  825    HA   ILE 107           HA       ILE 107  -9.434   8.789   8.789
  826    HB   ILE 107           HB       ILE 107 -11.714   8.993   8.993
  827   1HG1  ILE 107          2HG1      ILE 107 -12.146  11.472  11.472
  828   2HG1  ILE 107          1HG1      ILE 107 -11.339  11.643  11.643
  829   1HG2  ILE 107          3HG2      ILE 107 -11.137   8.266   8.266
  830   2HG2  ILE 107          2HG2      ILE 107 -11.866   9.808   9.808
  831   3HG2  ILE 107          1HG2      ILE 107 -12.819   8.600   8.600
  832   1HD1  ILE 107          3HD1      ILE 107 -13.883  10.047  10.047
  833   2HD1  ILE 107          2HD1      ILE 107 -13.935  11.799  11.799
  834   3HD1  ILE 107          1HD1      ILE 107 -13.188  10.804  10.804
  835    H    GLY 108           H        GLY 108  -7.816  11.103  11.103
  836   1HA   GLY 108          2HA       GLY 108  -6.911  10.474  10.474
  837   2HA   GLY 108          1HA       GLY 108  -8.504  11.040  11.040
  838    H    ARG 109           H        ARG 109  -9.059  13.298  13.298
  839    HA   ARG 109           HA       ARG 109  -7.215  15.220  15.220
  840   1HB   ARG 109          2HB       ARG 109  -9.605  15.453  15.453
  841   2HB   ARG 109          1HB       ARG 109  -8.676  16.862  16.862
  842   1HG   ARG 109          2HG       ARG 109  -9.090  16.307  16.307
  843   2HG   ARG 109          1HG       ARG 109  -9.979  14.863  14.863
  844   1HD   ARG 109          2HD       ARG 109 -10.851  17.484  17.484
  845   2HD   ARG 109          1HD       ARG 109 -11.241  17.150  17.150
  846    HE   ARG 109           HE       ARG 109 -12.547  15.963  15.963
  847   1HH1  ARG 109          1HH1      ARG 109 -12.629  12.885  12.885
  848   2HH1  ARG 109          2HH1      ARG 109 -11.819  13.404  13.404
  849   1HH2  ARG 109          1HH2      ARG 109 -13.369  16.103  16.103
  850   2HH2  ARG 109          2HH2      ARG 109 -13.506  14.414  14.414
  851    H    CYS 110           H        CYS 110  -5.727  16.568  16.568
  852    HA   CYS 110           HA       CYS 110  -5.350  16.661  16.661
  853   1HB   CYS 110          2HB       CYS 110  -4.076  14.508  14.508
  854   2HB   CYS 110          1HB       CYS 110  -2.873  15.524  15.524
  855    HA   PRO 111           HA       PRO 111  -2.899  20.138  20.138
  856   1HB   PRO 111          2HB       PRO 111  -1.086  20.434  20.434
  857   2HB   PRO 111          1HB       PRO 111  -2.794  20.883  20.883
  858   1HG   PRO 111          2HG       PRO 111  -1.367  18.525  18.525
  859   2HG   PRO 111          1HG       PRO 111  -2.802  19.370  19.370
  860   1HD   PRO 111          1HD       PRO 111  -2.809  16.917  16.917
  861   2HD   PRO 111          2HD       PRO 111  -4.216  17.967  17.967